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](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224730 193954316 /nfs/dbraw/zinc/95/43/16/193954316.db2.gz MCUBGQYNUMSCLK-INIZCTEOSA-N 1 1 431.407 5.572 40 0 IKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccccc1F ZINC000022076343 520723890 /nfs/dbraw/zinc/72/38/90/520723890.db2.gz VDDDNKOUWASBPF-UHFFFAOYSA-N 1 1 434.305 5.449 40 0 IKABMO COc1cc(OC[C@@H]2C[N@@H+](C)CC[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000022059591 522892875 /nfs/dbraw/zinc/89/28/75/522892875.db2.gz GVRONNVSYJRJGV-DHLKQENFSA-N 1 1 435.539 5.528 40 0 in-vitro IKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccc(NC(C)=O)cc3)no2)cc1OC ZINC000012185665 523115041 /nfs/dbraw/zinc/11/50/41/523115041.db2.gz AWESESYWKXSEJF-HSZRJFAPSA-N 1 1 449.551 5.435 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)C1 ZINC000020452499 524233468 /nfs/dbraw/zinc/23/34/68/524233468.db2.gz HRUBQKIQWDUSHV-OAQYLSRUSA-N 1 1 433.596 5.187 40 0 IKABMO Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020454082 524251570 /nfs/dbraw/zinc/25/15/70/524251570.db2.gz ISNMYHVHEBKZRN-XMMPIXPASA-N 1 1 442.603 5.313 40 0 IKABMO C[C@@H](CN[C@H](Cc1ccccc1)c1ccccc1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000022580837 524754305 /nfs/dbraw/zinc/75/43/05/524754305.db2.gz TZTINWHNVDZMRN-RVQNBHMFSA-N 1 1 434.627 6.522 40 0 IKABMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000035396504 526213238 /nfs/dbraw/zinc/21/32/38/526213238.db2.gz XKSWRUYYSKZLQA-RSXGOPAZSA-N 1 1 446.978 5.676 40 0 IKABMO O=C([C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000020521953 526538382 /nfs/dbraw/zinc/53/83/82/526538382.db2.gz JQUDXHRYILULGK-QHCPKHFHSA-N 1 1 444.541 5.399 40 0 IKABMO FC(F)(F)c1cccc(COCC[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000022863001 527684867 /nfs/dbraw/zinc/68/48/67/527684867.db2.gz UDKDJEBYTLAKEE-UHFFFAOYSA-N 1 1 446.435 5.059 40 0 IKABMO C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[N@@H+]1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000001608222 555705724 /nfs/dbraw/zinc/70/57/24/555705724.db2.gz KZASEJMAAFUHML-VIQVEINHSA-N 1 1 425.572 5.312 40 0 IKABMO C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[N@H+]1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000001608222 555705728 /nfs/dbraw/zinc/70/57/28/555705728.db2.gz KZASEJMAAFUHML-VIQVEINHSA-N 1 1 425.572 5.312 40 0 IKABMO CC[NH+](CC)CC[C@H](CNc1c(C)cnc2cc(Cl)ccc21)c1ccc(OC)cc1 ZINC000001712671 555710516 /nfs/dbraw/zinc/71/05/16/555710516.db2.gz WNOPQOBBHZSJKO-HXUWFJFHSA-N 1 1 426.004 6.133 40 0 IKABMO O=C(C[C@H]1CCC[C@@H](CC(=O)c2ccccc2)[N@H+]1CCc1ccccc1)c1ccccc1 ZINC000005082445 556031626 /nfs/dbraw/zinc/03/16/26/556031626.db2.gz SUJNXAOXYNOELZ-MKPDMIMOSA-N 1 1 425.572 5.998 40 0 IKABMO O[C@@H](C[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)[N@H+]1CCc1ccccc1)c1ccccc1 ZINC000005082651 556031647 /nfs/dbraw/zinc/03/16/47/556031647.db2.gz ZHOOOEZKEUBMPQ-CRNKYVSFSA-N 1 1 429.604 5.700 40 0 IKABMO Oc1ccccc1[C@@H]1C=C(c2ccccc2)[NH2+]C(N2CCCCC2)=C1c1nc2ccccc2[nH]1 ZINC000005724435 556063855 /nfs/dbraw/zinc/06/38/55/556063855.db2.gz XECDJUHIUDDYCD-QFIPXVFZSA-N 1 1 448.570 5.851 40 0 IKABMO CC[N@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000005810393 556066663 /nfs/dbraw/zinc/06/66/63/556066663.db2.gz OJDYOYOACQNEAI-XOBRGWDASA-N 1 1 447.189 5.713 40 0 IKABMO Oc1ccccc1[C@H]1C=C(c2ccccc2)[NH2+]C(N2CCCCC2)=C1c1nc2ccccc2[nH]1 ZINC000008651818 556196619 /nfs/dbraw/zinc/19/66/19/556196619.db2.gz XECDJUHIUDDYCD-JOCHJYFZSA-N 1 1 448.570 5.851 40 0 IKABMO Cc1ccc(C)c(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000013710646 556283887 /nfs/dbraw/zinc/28/38/87/556283887.db2.gz HBSMJRXZOPGYHT-HSZRJFAPSA-N 1 1 428.576 5.005 40 0 IKABMO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000030855106 556509750 /nfs/dbraw/zinc/50/97/50/556509750.db2.gz SOWVHXJBTODQSB-NRFANRHFSA-N 1 1 446.616 5.110 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030938690 556515534 /nfs/dbraw/zinc/51/55/34/556515534.db2.gz VWWGTRGOVQSHNR-LBPRGKRZSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030938690 556515538 /nfs/dbraw/zinc/51/55/38/556515538.db2.gz VWWGTRGOVQSHNR-LBPRGKRZSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030938682 556515613 /nfs/dbraw/zinc/51/56/13/556515613.db2.gz PTUCAYUJKPOZKU-ZDUSSCGKSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030938682 556515615 /nfs/dbraw/zinc/51/56/15/556515615.db2.gz PTUCAYUJKPOZKU-ZDUSSCGKSA-N 1 1 432.178 6.151 40 0 IKABMO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000030943335 556516583 /nfs/dbraw/zinc/51/65/83/556516583.db2.gz OMJDKHOZDMXBDH-HXUWFJFHSA-N 1 1 428.960 5.148 40 0 IKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030945427 556517182 /nfs/dbraw/zinc/51/71/82/556517182.db2.gz YQVCDZDUYGSSGH-GFCCVEGCSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030945427 556517186 /nfs/dbraw/zinc/51/71/86/556517186.db2.gz YQVCDZDUYGSSGH-GFCCVEGCSA-N 1 1 432.178 6.151 40 0 IKABMO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccccc1Cl ZINC000016449719 556609243 /nfs/dbraw/zinc/60/92/43/556609243.db2.gz XTIOFNXKGTXWAY-UHFFFAOYSA-N 1 1 434.736 6.110 40 0 IKABMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038232316 556612390 /nfs/dbraw/zinc/61/23/90/556612390.db2.gz LKATWTLUCBJGIB-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1 ZINC000038753253 556616447 /nfs/dbraw/zinc/61/64/47/556616447.db2.gz SJWOKKFWSDUUDT-IBGZPJMESA-N 1 1 434.967 6.617 40 0 IKABMO CCOC(=O)c1c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)sc2c1CCCC2 ZINC000038772341 556619195 /nfs/dbraw/zinc/61/91/95/556619195.db2.gz AEEVFWDZJVUBOJ-KRWDZBQOSA-N 1 1 440.609 5.288 40 0 IKABMO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038833950 556622123 /nfs/dbraw/zinc/62/21/23/556622123.db2.gz PIQZOSHBHFNJNE-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834010 556622504 /nfs/dbraw/zinc/62/25/04/556622504.db2.gz KBBURDVIOMMGCW-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038836694 556623392 /nfs/dbraw/zinc/62/33/92/556623392.db2.gz RUIPSMXTEUYVJS-UHFFFAOYSA-N 1 1 437.436 5.422 40 0 IKABMO O=C(NCCSCc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038837370 556623426 /nfs/dbraw/zinc/62/34/26/556623426.db2.gz OTZMVAIKGMZTRE-SFHVURJKSA-N 1 1 437.436 5.255 40 0 IKABMO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038836697 556623439 /nfs/dbraw/zinc/62/34/39/556623439.db2.gz DZPGCTPASOAGEH-UHFFFAOYSA-N 1 1 437.436 5.422 40 0 IKABMO O=C(NCCSCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038837373 556623679 /nfs/dbraw/zinc/62/36/79/556623679.db2.gz OTZMVAIKGMZTRE-GOSISDBHSA-N 1 1 437.436 5.255 40 0 IKABMO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038848667 556623741 /nfs/dbraw/zinc/62/37/41/556623741.db2.gz LOJKRHVYSXZTFW-UHFFFAOYSA-N 1 1 446.205 5.829 40 0 IKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000016681544 556624084 /nfs/dbraw/zinc/62/40/84/556624084.db2.gz XNYPEOSODONAOV-UHFFFAOYSA-N 1 1 428.363 5.541 40 0 IKABMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038850220 556624421 /nfs/dbraw/zinc/62/44/21/556624421.db2.gz UCIGWOILPRCNSH-AWEZNQCLSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038850220 556624423 /nfs/dbraw/zinc/62/44/23/556624423.db2.gz UCIGWOILPRCNSH-AWEZNQCLSA-N 1 1 427.759 5.506 40 0 IKABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850862 556624762 /nfs/dbraw/zinc/62/47/62/556624762.db2.gz AXQQQWIOGZEEGB-JOCHJYFZSA-N 1 1 445.434 5.687 40 0 IKABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850865 556624772 /nfs/dbraw/zinc/62/47/72/556624772.db2.gz AXQQQWIOGZEEGB-QFIPXVFZSA-N 1 1 445.434 5.687 40 0 IKABMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850874 556624805 /nfs/dbraw/zinc/62/48/05/556624805.db2.gz GMJXPSMYSBYWKP-OAQYLSRUSA-N 1 1 445.434 5.687 40 0 IKABMO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038852835 556625036 /nfs/dbraw/zinc/62/50/36/556625036.db2.gz JYIRIJANTMEDCS-UHFFFAOYSA-N 1 1 429.457 5.388 40 0 IKABMO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038856230 556625593 /nfs/dbraw/zinc/62/55/93/556625593.db2.gz ULXPJVDAQZLWIW-UHFFFAOYSA-N 1 1 429.402 5.425 40 0 IKABMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(Cc2ccccc2)C(C)C)cc1 ZINC000016768328 556640151 /nfs/dbraw/zinc/64/01/51/556640151.db2.gz PKXDQBLXGNSBQW-UHFFFAOYSA-N 1 1 448.570 6.511 40 0 IKABMO COC(=O)[C@@H]([NH3+])Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000016951199 556649824 /nfs/dbraw/zinc/64/98/24/556649824.db2.gz MCHCARFNAUXEMK-MHZLTWQESA-N 1 1 437.539 5.100 40 0 IKABMO CCOc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044851489 556670428 /nfs/dbraw/zinc/67/04/28/556670428.db2.gz VIRSVCLYLLGXDN-UHFFFAOYSA-N 1 1 428.576 5.006 40 0 IKABMO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044852575 556670640 /nfs/dbraw/zinc/67/06/40/556670640.db2.gz FJVHGOKGXJLQKW-QGZVFWFLSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044852577 556670767 /nfs/dbraw/zinc/67/07/67/556670767.db2.gz FJVHGOKGXJLQKW-KRWDZBQOSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044852879 556671119 /nfs/dbraw/zinc/67/11/19/556671119.db2.gz SVHYNMZSRORHPT-QGZVFWFLSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855175 556671282 /nfs/dbraw/zinc/67/12/82/556671282.db2.gz QBBDWPFHEWIHBM-DENIHFKCSA-N 1 1 426.988 5.279 40 0 IKABMO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@H+]3CCc4ccccc4C3)cc1)CC(C)(C)O2 ZINC000044855279 556671326 /nfs/dbraw/zinc/67/13/26/556671326.db2.gz SIKJKYXOZMGNLB-AREMUKBSSA-N 1 1 440.587 5.586 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044855326 556671679 /nfs/dbraw/zinc/67/16/79/556671679.db2.gz OAAGBHZUELTVFN-DENIHFKCSA-N 1 1 426.988 5.279 40 0 IKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1C ZINC000044856367 556672179 /nfs/dbraw/zinc/67/21/79/556672179.db2.gz HFFPZBZKLBLUQN-GOSISDBHSA-N 1 1 429.402 5.155 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1C ZINC000044856681 556672184 /nfs/dbraw/zinc/67/21/84/556672184.db2.gz PETWZJNBMRDFFY-QHCPKHFHSA-N 1 1 443.429 5.545 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856524 556672224 /nfs/dbraw/zinc/67/22/24/556672224.db2.gz LXPSGIKLDWZLJR-HSZRJFAPSA-N 1 1 443.429 5.545 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856677 556672274 /nfs/dbraw/zinc/67/22/74/556672274.db2.gz GERMOBCUGQRWNX-QHCPKHFHSA-N 1 1 433.423 6.090 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1C ZINC000044856682 556672293 /nfs/dbraw/zinc/67/22/93/556672293.db2.gz PETWZJNBMRDFFY-HSZRJFAPSA-N 1 1 443.429 5.545 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)C1 ZINC000044905442 556679795 /nfs/dbraw/zinc/67/97/95/556679795.db2.gz LMQRHQDQQTWFEL-OAQYLSRUSA-N 1 1 446.566 5.567 40 0 IKABMO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044906253 556679808 /nfs/dbraw/zinc/67/98/08/556679808.db2.gz SZUYYUXHWAERGV-UHFFFAOYSA-N 1 1 439.814 5.608 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906079 556679827 /nfs/dbraw/zinc/67/98/27/556679827.db2.gz HNLWXFFPIXCAFF-QGZVFWFLSA-N 1 1 447.450 6.380 40 0 IKABMO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044905846 556679838 /nfs/dbraw/zinc/67/98/38/556679838.db2.gz PRDRFCYUKVZESM-GOSISDBHSA-N 1 1 429.402 5.155 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906085 556679862 /nfs/dbraw/zinc/67/98/62/556679862.db2.gz OELIFZZXEIJUFJ-KRWDZBQOSA-N 1 1 447.450 6.380 40 0 IKABMO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044909943 556680682 /nfs/dbraw/zinc/68/06/82/556680682.db2.gz DLLSSHSKKRENRS-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044911891 556680964 /nfs/dbraw/zinc/68/09/64/556680964.db2.gz ZBCFWFRPCVKBDT-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000044911679 556681060 /nfs/dbraw/zinc/68/10/60/556681060.db2.gz ZBEZTVGBMPEIBC-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044915932 556681165 /nfs/dbraw/zinc/68/11/65/556681165.db2.gz PICLRXBQJCHWSD-UHFFFAOYSA-N 1 1 446.550 5.728 40 0 IKABMO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044915729 556681183 /nfs/dbraw/zinc/68/11/83/556681183.db2.gz KODHYWNCSJRGPG-NRFANRHFSA-N 1 1 432.951 5.422 40 0 IKABMO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044915729 556681188 /nfs/dbraw/zinc/68/11/88/556681188.db2.gz KODHYWNCSJRGPG-NRFANRHFSA-N 1 1 432.951 5.422 40 0 IKABMO CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044916034 556681367 /nfs/dbraw/zinc/68/13/67/556681367.db2.gz UCIRIDQWKSQHAG-JOCHJYFZSA-N 1 1 429.004 5.088 40 0 IKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000044934937 556682466 /nfs/dbraw/zinc/68/24/66/556682466.db2.gz SVPFACAFZDWIRB-GOSISDBHSA-N 1 1 429.402 5.155 40 0 IKABMO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000044936879 556682952 /nfs/dbraw/zinc/68/29/52/556682952.db2.gz AACSPUKPGGYRBS-HSZRJFAPSA-N 1 1 433.423 6.109 40 0 IKABMO Cc1ccccc1[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044937737 556682995 /nfs/dbraw/zinc/68/29/95/556682995.db2.gz LCUJQHZZILIEHY-SSEXGKCCSA-N 1 1 446.594 6.073 40 0 IKABMO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000044936891 556683057 /nfs/dbraw/zinc/68/30/57/556683057.db2.gz OQVDULGBTJCHAI-HSZRJFAPSA-N 1 1 443.429 5.565 40 0 IKABMO CCOC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)ccc1Cl ZINC000044939557 556683287 /nfs/dbraw/zinc/68/32/87/556683287.db2.gz MNWRMWDVXNKXFN-INIZCTEOSA-N 1 1 435.351 5.021 40 0 IKABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000019220112 556714509 /nfs/dbraw/zinc/71/45/09/556714509.db2.gz OCZILPKVJXUIBB-SIKLNZKXSA-N 1 1 441.579 5.086 40 0 IKABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019236833 556721412 /nfs/dbraw/zinc/72/14/12/556721412.db2.gz GRWXCKRXPOPWKB-NBGIEHNGSA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019236833 556721415 /nfs/dbraw/zinc/72/14/15/556721415.db2.gz GRWXCKRXPOPWKB-NBGIEHNGSA-N 1 1 435.518 5.052 40 0 IKABMO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCC[N@H+]3[C@@H]3CCSC3)nn21 ZINC000019343869 556741846 /nfs/dbraw/zinc/74/18/46/556741846.db2.gz QUDLRRSRMZPSRT-DUFGSWQCSA-N 1 1 428.549 5.247 40 0 IKABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000019347724 556743455 /nfs/dbraw/zinc/74/34/55/556743455.db2.gz USZWDBLMVSLOED-CQOQZXRMSA-N 1 1 438.543 5.157 40 0 IKABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000019347726 556743602 /nfs/dbraw/zinc/74/36/02/556743602.db2.gz GBGZDJCJJQDXQX-CQOQZXRMSA-N 1 1 438.543 5.157 40 0 IKABMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c1C ZINC000023292217 556752096 /nfs/dbraw/zinc/75/20/96/556752096.db2.gz RYCSKYSCBDIEFB-HSZRJFAPSA-N 1 1 437.584 5.093 40 0 IKABMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)N2CC[NH+](C)CC2)c1C ZINC000023292198 556752182 /nfs/dbraw/zinc/75/21/82/556752182.db2.gz XZMSLLDZORVNNV-HSZRJFAPSA-N 1 1 437.584 5.093 40 0 IKABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400604 556753153 /nfs/dbraw/zinc/75/31/53/556753153.db2.gz FWYNNGDBIOFPQV-BWKNWUBXSA-N 1 1 442.588 5.075 40 0 IKABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400607 556753311 /nfs/dbraw/zinc/75/33/11/556753311.db2.gz FWYNNGDBIOFPQV-PXDATVDWSA-N 1 1 442.588 5.075 40 0 IKABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019400803 556753594 /nfs/dbraw/zinc/75/35/94/556753594.db2.gz RWGULEFLJXTIRU-VWLOTQADSA-N 1 1 427.539 5.010 40 0 IKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000001335270 556775978 /nfs/dbraw/zinc/77/59/78/556775978.db2.gz ZLZZMOUTXZNFES-UHFFFAOYSA-N 1 1 434.609 5.105 40 0 IKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000001335237 556776183 /nfs/dbraw/zinc/77/61/83/556776183.db2.gz HYWWGJKUHUJLOS-UHFFFAOYSA-N 1 1 441.600 5.382 40 0 IKABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)c2sccn12 ZINC000019523091 556780131 /nfs/dbraw/zinc/78/01/31/556780131.db2.gz OKLBKYQIJKCEGR-GOSISDBHSA-N 1 1 449.580 5.326 40 0 IKABMO CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000019523079 556780229 /nfs/dbraw/zinc/78/02/29/556780229.db2.gz JLBYIZSPMPUOCZ-JOCHJYFZSA-N 1 1 443.595 5.203 40 0 IKABMO CC[NH+](CC)P1Oc2c(cc(C)cc2C(C)(C)C)Cc2cc(C)cc(C(C)(C)C)c2O1 ZINC000003125925 556841232 /nfs/dbraw/zinc/84/12/32/556841232.db2.gz NRGOJRVWTVSCJH-UHFFFAOYSA-N 1 1 441.596 7.829 40 0 IKABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)cc1 ZINC000019689989 556845267 /nfs/dbraw/zinc/84/52/67/556845267.db2.gz LXVHBTKIIWFVKE-HSZRJFAPSA-N 1 1 449.986 5.159 40 0 IKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+](Cc4c(C)nn(C(C)C)c4C)C3)nc2)c1 ZINC000019690230 556845726 /nfs/dbraw/zinc/84/57/26/556845726.db2.gz GEOHUZFSKXDHOM-DEOSSOPVSA-N 1 1 432.612 5.455 40 0 IKABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccnc4ccccc34)[nH]n2)cc1F ZINC000019703712 556862259 /nfs/dbraw/zinc/86/22/59/556862259.db2.gz FMTDBZYWPPVGMA-RUZDIDTESA-N 1 1 434.490 5.195 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019743110 556887439 /nfs/dbraw/zinc/88/74/39/556887439.db2.gz PUWFKKHSCBOYDX-DEOSSOPVSA-N 1 1 432.612 5.167 40 0 IKABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330457 556905725 /nfs/dbraw/zinc/90/57/25/556905725.db2.gz YPMYTOKLIJGYTK-GJZUVCINSA-N 1 1 435.612 5.048 40 0 IKABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000072330496 556906285 /nfs/dbraw/zinc/90/62/85/556906285.db2.gz OMCGVHHFEZRBJQ-GJZUVCINSA-N 1 1 443.591 5.090 40 0 IKABMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000072330551 556906594 /nfs/dbraw/zinc/90/65/94/556906594.db2.gz HIXPCWQFYIIFFW-NAKRPHOHSA-N 1 1 427.592 5.092 40 0 IKABMO Cc1ccsc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000072330553 556906661 /nfs/dbraw/zinc/90/66/61/556906661.db2.gz HKPWKVCNGBNTTD-GJZUVCINSA-N 1 1 433.621 5.154 40 0 IKABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cccc(-c3ccccc3F)c2)ncc1C(=O)N(C)C ZINC000019765598 556910370 /nfs/dbraw/zinc/91/03/70/556910370.db2.gz ALDDLPNGDFWPKV-XMMPIXPASA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2cccc(-c3ccccc3F)c2)ncc1C(=O)N(C)C ZINC000019765598 556910372 /nfs/dbraw/zinc/91/03/72/556910372.db2.gz ALDDLPNGDFWPKV-XMMPIXPASA-N 1 1 432.543 5.020 40 0 IKABMO C=C1[NH+]=C(SCc2ccc(Cl)cc2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408989725 556910929 /nfs/dbraw/zinc/91/09/29/556910929.db2.gz LSYDXXZIWQHSEO-OAQYLSRUSA-N 1 1 444.984 5.510 40 0 IKABMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350306 556920417 /nfs/dbraw/zinc/92/04/17/556920417.db2.gz ZIVXLVGPKKMXNP-IBGZPJMESA-N 1 1 428.502 5.287 40 0 IKABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350306 556920422 /nfs/dbraw/zinc/92/04/22/556920422.db2.gz ZIVXLVGPKKMXNP-IBGZPJMESA-N 1 1 428.502 5.287 40 0 IKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(Cl)c1)C[N@H+](Cc1ccccc1)CC3 ZINC000019819703 556923139 /nfs/dbraw/zinc/92/31/39/556923139.db2.gz FCSORYVQTDAWJP-UHFFFAOYSA-N 1 1 439.993 5.321 40 0 IKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(Cl)c1)C[N@@H+](Cc1ccccc1)CC3 ZINC000019819703 556923142 /nfs/dbraw/zinc/92/31/42/556923142.db2.gz FCSORYVQTDAWJP-UHFFFAOYSA-N 1 1 439.993 5.321 40 0 IKABMO CCOc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)cc1 ZINC000019819697 556923161 /nfs/dbraw/zinc/92/31/61/556923161.db2.gz FXPJCVLSBZPJPE-UHFFFAOYSA-N 1 1 449.601 5.067 40 0 IKABMO CCOc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)cc1 ZINC000019819697 556923165 /nfs/dbraw/zinc/92/31/65/556923165.db2.gz FXPJCVLSBZPJPE-UHFFFAOYSA-N 1 1 449.601 5.067 40 0 IKABMO Cc1cccc(Nc2ccc([C@@H]3CCC[N@@H+]3Cc3cc4ccccc4nc3N(C)C)nc2)n1 ZINC000072353094 556925486 /nfs/dbraw/zinc/92/54/86/556925486.db2.gz SMQHXNSFIJWGBC-VWLOTQADSA-N 1 1 438.579 5.480 40 0 IKABMO Cc1cccnc1Nc1ccc([C@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2N(C)C)nc1 ZINC000072353097 556925498 /nfs/dbraw/zinc/92/54/98/556925498.db2.gz RHYANFVXJGSIAT-RUZDIDTESA-N 1 1 438.579 5.480 40 0 IKABMO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358216 556931859 /nfs/dbraw/zinc/93/18/59/556931859.db2.gz BHAUEEKXXUMMLJ-JOCHJYFZSA-N 1 1 426.486 5.381 40 0 IKABMO CCc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358216 556931861 /nfs/dbraw/zinc/93/18/61/556931861.db2.gz BHAUEEKXXUMMLJ-JOCHJYFZSA-N 1 1 426.486 5.381 40 0 IKABMO CCc1c(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000072361008 556933276 /nfs/dbraw/zinc/93/32/76/556933276.db2.gz CKJYGHLQPFDEDC-KRWDZBQOSA-N 1 1 446.620 5.042 40 0 IKABMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H]3Cc3c4ccccc4sc3C(N)=O)c2)n1 ZINC000072370308 556934473 /nfs/dbraw/zinc/93/44/73/556934473.db2.gz OJBNWHNIDVRPTC-FQEVSTJZSA-N 1 1 444.604 5.010 40 0 IKABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)[nH]n1 ZINC000072371723 556940395 /nfs/dbraw/zinc/94/03/95/556940395.db2.gz XXIKNKKBVRRXQW-LJQANCHMSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3cccc4ncccc34)C2)n[nH]1 ZINC000072371723 556940401 /nfs/dbraw/zinc/94/04/01/556940401.db2.gz XXIKNKKBVRRXQW-LJQANCHMSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)n[nH]1 ZINC000072371723 556940405 /nfs/dbraw/zinc/94/04/05/556940405.db2.gz XXIKNKKBVRRXQW-LJQANCHMSA-N 1 1 432.955 5.222 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371738 556940445 /nfs/dbraw/zinc/94/04/45/556940445.db2.gz YCTMOKFBBYSNIR-LJQANCHMSA-N 1 1 442.007 5.068 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371738 556940449 /nfs/dbraw/zinc/94/04/49/556940449.db2.gz YCTMOKFBBYSNIR-LJQANCHMSA-N 1 1 442.007 5.068 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371738 556940453 /nfs/dbraw/zinc/94/04/53/556940453.db2.gz YCTMOKFBBYSNIR-LJQANCHMSA-N 1 1 442.007 5.068 40 0 IKABMO COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3cc(Nc4nc(C)cs4)cc(C)[nH+]3)cc21 ZINC000072372591 556943144 /nfs/dbraw/zinc/94/31/44/556943144.db2.gz MPUPWUSKLTZTAJ-OAQYLSRUSA-N 1 1 447.564 5.366 40 0 IKABMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@H]1c1cccc(Nc3ncccn3)n1)cn2C(C)C ZINC000072375778 556953072 /nfs/dbraw/zinc/95/30/72/556953072.db2.gz FQRKMDUUBKUSRD-DEOSSOPVSA-N 1 1 442.567 5.497 40 0 IKABMO COCc1cc(C[N@H+]2CCC[C@H]2c2cccc(Nc3nccs3)n2)ccc1OC(C)C ZINC000072375844 556953209 /nfs/dbraw/zinc/95/32/09/556953209.db2.gz BCVAAKQKDOUWMU-NRFANRHFSA-N 1 1 438.597 5.552 40 0 IKABMO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@H+]2Cc2cccc(OC)c2OC)n1 ZINC000072390677 556961388 /nfs/dbraw/zinc/96/13/88/556961388.db2.gz FXGDUJBXQSZRNJ-QFIPXVFZSA-N 1 1 432.568 5.236 40 0 IKABMO COc1cccc(-c2nc3c(s2)C[N@H+](Cc2cccc(OCc4ccccn4)c2)CC3)c1 ZINC000072392031 556963010 /nfs/dbraw/zinc/96/30/10/556963010.db2.gz GVZWVIDNJMCLEJ-UHFFFAOYSA-N 1 1 443.572 5.351 40 0 IKABMO COc1cccc(-c2nc3c(s2)C[N@@H+](Cc2cccc(OCc4ccccn4)c2)CC3)c1 ZINC000072392031 556963011 /nfs/dbraw/zinc/96/30/11/556963011.db2.gz GVZWVIDNJMCLEJ-UHFFFAOYSA-N 1 1 443.572 5.351 40 0 IKABMO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)ccc21 ZINC000020106540 556983042 /nfs/dbraw/zinc/98/30/42/556983042.db2.gz SDKOSOAUIPOZSX-FQEVSTJZSA-N 1 1 425.576 6.299 40 0 IKABMO Cc1ccc(CSCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000409183374 557003933 /nfs/dbraw/zinc/00/39/33/557003933.db2.gz BPYHZUHCCZSORT-UHFFFAOYSA-N 1 1 430.617 5.162 40 0 IKABMO CC(C)Sc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408680643 557098692 /nfs/dbraw/zinc/09/86/92/557098692.db2.gz OVIMGLDSTIPIKC-UHFFFAOYSA-N 1 1 430.617 5.735 40 0 IKABMO CCCCC[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343533 557123520 /nfs/dbraw/zinc/12/35/20/557123520.db2.gz INXGAHHQCIHNOR-ZSEJKAPFSA-N 1 1 443.631 6.897 40 0 IKABMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000102758200 557132197 /nfs/dbraw/zinc/13/21/97/557132197.db2.gz FMZHLCDGPJECMI-LLJLJFOGSA-N 1 1 434.605 5.816 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1CO ZINC000585176616 557136833 /nfs/dbraw/zinc/13/68/33/557136833.db2.gz VFIQRKOKWCNGDI-QHCPKHFHSA-N 1 1 434.555 5.082 40 0 IKABMO CCOc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=[NH+]CCCCC2)cc1 ZINC000016769728 557156046 /nfs/dbraw/zinc/15/60/46/557156046.db2.gz PKWXCUXEBQZYPX-UHFFFAOYSA-N 1 1 429.358 5.510 40 0 IKABMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063655 557180127 /nfs/dbraw/zinc/18/01/27/557180127.db2.gz YLJXHOUNDWUDME-UHFFFAOYSA-N 1 1 425.729 5.092 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccccc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000585260850 557193832 /nfs/dbraw/zinc/19/38/32/557193832.db2.gz XCGGNQGBECOWIH-VWLOTQADSA-N 1 1 440.584 5.086 40 0 IKABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000096315928 557198528 /nfs/dbraw/zinc/19/85/28/557198528.db2.gz WDCDPXOEENZEFH-JOCHJYFZSA-N 1 1 439.966 5.433 40 0 IKABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000096315928 557198530 /nfs/dbraw/zinc/19/85/30/557198530.db2.gz WDCDPXOEENZEFH-JOCHJYFZSA-N 1 1 439.966 5.433 40 0 IKABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4c(C)nc5cc(C)ccn54)C3)n2)s1 ZINC000585262677 557203113 /nfs/dbraw/zinc/20/31/13/557203113.db2.gz SCPWBNVNAZZQKU-IBGZPJMESA-N 1 1 432.597 5.234 40 0 IKABMO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000219417215 557243836 /nfs/dbraw/zinc/24/38/36/557243836.db2.gz QQTAGPWLODSINT-UHFFFAOYSA-N 1 1 447.450 6.078 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774798 557264324 /nfs/dbraw/zinc/26/43/24/557264324.db2.gz MUQTZNFKVHLTEF-GCJKJVERSA-N 1 1 448.438 6.037 40 0 IKABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000022913654 557273056 /nfs/dbraw/zinc/27/30/56/557273056.db2.gz MPNRDKGQWSVHOO-OAQYLSRUSA-N 1 1 426.604 6.033 40 0 IKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063838 557278731 /nfs/dbraw/zinc/27/87/31/557278731.db2.gz FMDVLGNSTQQKMI-XMMPIXPASA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063838 557278733 /nfs/dbraw/zinc/27/87/33/557278733.db2.gz FMDVLGNSTQQKMI-XMMPIXPASA-N 1 1 448.615 5.224 40 0 IKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500136 557323933 /nfs/dbraw/zinc/32/39/33/557323933.db2.gz VOVWKJUKKGOZLP-DEOSSOPVSA-N 1 1 448.615 5.224 40 0 IKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500627 557323976 /nfs/dbraw/zinc/32/39/76/557323976.db2.gz ZYOSCURQRURKSH-DEOSSOPVSA-N 1 1 448.615 5.080 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501121 557324564 /nfs/dbraw/zinc/32/45/64/557324564.db2.gz RUVLJMXLYQKUAT-QHCPKHFHSA-N 1 1 448.615 5.224 40 0 IKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500098 557329953 /nfs/dbraw/zinc/32/99/53/557329953.db2.gz FCMQLBSZLNMPDC-QHCPKHFHSA-N 1 1 448.615 5.224 40 0 IKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000072215732 557342583 /nfs/dbraw/zinc/34/25/83/557342583.db2.gz WQIXAQMZOFEMDC-XMMPIXPASA-N 1 1 435.612 6.493 40 0 IKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000072215768 557342717 /nfs/dbraw/zinc/34/27/17/557342717.db2.gz SJYPLCPLKHNMIS-VWLOTQADSA-N 1 1 449.639 6.883 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072215889 557343032 /nfs/dbraw/zinc/34/30/32/557343032.db2.gz SCNSJQWOKIFVGL-RUZDIDTESA-N 1 1 443.591 6.882 40 0 IKABMO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349945 557385087 /nfs/dbraw/zinc/38/50/87/557385087.db2.gz FHUZNYPWEJFYRB-QHCPKHFHSA-N 1 1 429.564 5.019 40 0 IKABMO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000222800118 557387819 /nfs/dbraw/zinc/38/78/19/557387819.db2.gz WPXHUKIEISTHNK-UHFFFAOYSA-N 1 1 427.375 5.675 40 0 IKABMO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000222876232 557396651 /nfs/dbraw/zinc/39/66/51/557396651.db2.gz VMUDNZHMBVSOCH-UHFFFAOYSA-N 1 1 427.375 5.675 40 0 IKABMO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000222876331 557396682 /nfs/dbraw/zinc/39/66/82/557396682.db2.gz KHTHPGWNXQGLIY-UHFFFAOYSA-N 1 1 427.375 5.675 40 0 IKABMO COc1ccc(CC[N@@H+](Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1OC ZINC000013989492 557400247 /nfs/dbraw/zinc/40/02/47/557400247.db2.gz MAGTUACVUBFCKB-UHFFFAOYSA-N 1 1 430.470 5.363 40 0 IKABMO CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000222956784 557408200 /nfs/dbraw/zinc/40/82/00/557408200.db2.gz QXXZQFWOKNFYEJ-SANMLTNESA-N 1 1 442.603 5.395 40 0 IKABMO CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000222956736 557408227 /nfs/dbraw/zinc/40/82/27/557408227.db2.gz QXXZQFWOKNFYEJ-AREMUKBSSA-N 1 1 442.603 5.395 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975878 557410441 /nfs/dbraw/zinc/41/04/41/557410441.db2.gz ZAJVTNPOCGDNOP-KRWDZBQOSA-N 1 1 428.979 5.447 40 0 IKABMO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000222986616 557412254 /nfs/dbraw/zinc/41/22/54/557412254.db2.gz FPKPPHNTVGZGKC-MHZLTWQESA-N 1 1 442.603 5.395 40 0 IKABMO CC[C@H](Oc1ccc(C)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014013616 557418341 /nfs/dbraw/zinc/41/83/41/557418341.db2.gz RSPBMUOSLOTIDH-SANMLTNESA-N 1 1 428.576 5.086 40 0 IKABMO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000223470472 557475633 /nfs/dbraw/zinc/47/56/33/557475633.db2.gz HVOXOGASMRUJOT-SFHVURJKSA-N 1 1 433.423 6.008 40 0 IKABMO CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223668137 557499729 /nfs/dbraw/zinc/49/97/29/557499729.db2.gz BBMOWXLIMKIMGJ-UHFFFAOYSA-N 1 1 442.603 5.351 40 0 IKABMO CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223730009 557506698 /nfs/dbraw/zinc/50/66/98/557506698.db2.gz TZGJOIABHSBGSF-FQEVSTJZSA-N 1 1 429.004 5.045 40 0 IKABMO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000223741634 557507893 /nfs/dbraw/zinc/50/78/93/557507893.db2.gz TXTJAVPLKZPSRN-UHFFFAOYSA-N 1 1 446.994 5.184 40 0 IKABMO CCOc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000223946382 557532800 /nfs/dbraw/zinc/53/28/00/557532800.db2.gz NGCCESCONXIGFP-UHFFFAOYSA-N 1 1 434.967 5.286 40 0 IKABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000223948828 557533002 /nfs/dbraw/zinc/53/30/02/557533002.db2.gz KBSNPIOWXQLJOT-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000224094901 557559988 /nfs/dbraw/zinc/55/99/88/557559988.db2.gz HSFYJIWNWDTTDO-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000224319413 557590800 /nfs/dbraw/zinc/59/08/00/557590800.db2.gz XQFIMOCKRSHQKP-QGZVFWFLSA-N 1 1 429.402 5.101 40 0 IKABMO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000224319468 557590896 /nfs/dbraw/zinc/59/08/96/557590896.db2.gz XQFIMOCKRSHQKP-KRWDZBQOSA-N 1 1 429.402 5.101 40 0 IKABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1CSc1ccc(C)cc1 ZINC000224340704 557594178 /nfs/dbraw/zinc/59/41/78/557594178.db2.gz HMKBVNDJTNIWBI-UHFFFAOYSA-N 1 1 446.616 5.254 40 0 IKABMO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000224539483 557618413 /nfs/dbraw/zinc/61/84/13/557618413.db2.gz VOUGBNMCILINPF-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224546060 557620028 /nfs/dbraw/zinc/62/00/28/557620028.db2.gz ZRZPFXFLWHAOMY-UHFFFAOYSA-N 1 1 439.386 6.096 40 0 IKABMO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224884721 557662346 /nfs/dbraw/zinc/66/23/46/557662346.db2.gz QPIQOVONDGLWCK-UHFFFAOYSA-N 1 1 447.284 5.743 40 0 IKABMO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224884604 557662365 /nfs/dbraw/zinc/66/23/65/557662365.db2.gz KCPHJFGEBVDMKR-UHFFFAOYSA-N 1 1 447.284 5.743 40 0 IKABMO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224962249 557671640 /nfs/dbraw/zinc/67/16/40/557671640.db2.gz BXJLJCUTEONYSH-UHFFFAOYSA-N 1 1 445.312 5.541 40 0 IKABMO CCc1nc2ccc(NC(=S)NCCNc3cc[nH+]c4cc(Cl)ccc34)cc2s1 ZINC000225229293 557702877 /nfs/dbraw/zinc/70/28/77/557702877.db2.gz AFXVSTKPIXFSBT-UHFFFAOYSA-N 1 1 442.013 5.459 40 0 IKABMO CC(C)CSc1nnc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)s1 ZINC000225359372 557713878 /nfs/dbraw/zinc/71/38/78/557713878.db2.gz XQCSUQWPXNEIMZ-UHFFFAOYSA-N 1 1 438.622 5.097 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)C1 ZINC000225432133 557722334 /nfs/dbraw/zinc/72/23/34/557722334.db2.gz MDMOCWYNBGZZHI-HNNXBMFYSA-N 1 1 426.973 5.343 40 0 IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225449897 557724189 /nfs/dbraw/zinc/72/41/89/557724189.db2.gz BZHASSPNKASRQL-UHFFFAOYSA-N 1 1 444.629 5.960 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCCC2)c1 ZINC000225509866 557732371 /nfs/dbraw/zinc/73/23/71/557732371.db2.gz ZZPBBOGTQSGTDK-ZRZAMGCNSA-N 1 1 434.624 5.802 40 0 IKABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225516519 557733965 /nfs/dbraw/zinc/73/39/65/557733965.db2.gz AMSIGEYRXNBIMC-NRFANRHFSA-N 1 1 438.587 5.777 40 0 IKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520856 557734897 /nfs/dbraw/zinc/73/48/97/557734897.db2.gz UOQBYQLTEMLLMZ-OAQYLSRUSA-N 1 1 438.587 5.920 40 0 IKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225523167 557735368 /nfs/dbraw/zinc/73/53/68/557735368.db2.gz JXMHHAGBINIOIP-FQEVSTJZSA-N 1 1 441.015 6.044 40 0 IKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCC2)cc1 ZINC000225531535 557737543 /nfs/dbraw/zinc/73/75/43/557737543.db2.gz SRIBYIIIOFIOIG-OAQYLSRUSA-N 1 1 436.596 5.256 40 0 IKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534776 557738025 /nfs/dbraw/zinc/73/80/25/557738025.db2.gz KZJKQDXMKNKKTR-HSZRJFAPSA-N 1 1 434.624 6.171 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)c1 ZINC000225539797 557738852 /nfs/dbraw/zinc/73/88/52/557738852.db2.gz AHYFOYBNDOKCNK-HSZRJFAPSA-N 1 1 434.624 5.946 40 0 IKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 ZINC000225545167 557739620 /nfs/dbraw/zinc/73/96/20/557739620.db2.gz VRGJERFLODJTND-NRFANRHFSA-N 1 1 438.587 5.920 40 0 IKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575278 557745468 /nfs/dbraw/zinc/74/54/68/557745468.db2.gz PKAFLWHRNSJWMB-UHFFFAOYSA-N 1 1 438.930 6.122 40 0 IKABMO O=C(NCCSc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576213 557745576 /nfs/dbraw/zinc/74/55/76/557745576.db2.gz ZQGNMOHJZOTXFP-UHFFFAOYSA-N 1 1 441.399 5.253 40 0 IKABMO COc1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c(OC)cc1Cl ZINC000225584475 557747169 /nfs/dbraw/zinc/74/71/69/557747169.db2.gz PMSIHOAELDLRJE-UHFFFAOYSA-N 1 1 441.330 5.000 40 0 IKABMO O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584754 557747220 /nfs/dbraw/zinc/74/72/20/557747220.db2.gz FUYSDGRMJTUBCO-UHFFFAOYSA-N 1 1 436.958 5.597 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225587293 557747966 /nfs/dbraw/zinc/74/79/66/557747966.db2.gz BGUQJYOUIGHVPE-QFIPXVFZSA-N 1 1 444.978 5.418 40 0 IKABMO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccc(Cl)cc3F)CC1)CC(C)(C)O2 ZINC000225587219 557747970 /nfs/dbraw/zinc/74/79/70/557747970.db2.gz PUNXDVFVVSBWNX-QFIPXVFZSA-N 1 1 444.978 5.418 40 0 IKABMO O=C(NCCCc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589616 557748443 /nfs/dbraw/zinc/74/84/43/557748443.db2.gz BWJPSLKLABGXDR-UHFFFAOYSA-N 1 1 438.974 5.593 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)c(C)c1 ZINC000225591132 557748657 /nfs/dbraw/zinc/74/86/57/557748657.db2.gz DPURRVYSEXZCPG-QFIPXVFZSA-N 1 1 432.967 5.276 40 0 IKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225615424 557752592 /nfs/dbraw/zinc/75/25/92/557752592.db2.gz GCELHTOWCJFGJW-SZPZYZBQSA-N 1 1 432.649 5.459 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCCC1 ZINC000225659491 557758274 /nfs/dbraw/zinc/75/82/74/557758274.db2.gz NBGGAMZPVMUGDJ-SZPZYZBQSA-N 1 1 430.633 5.501 40 0 IKABMO CCCO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225663272 557759012 /nfs/dbraw/zinc/75/90/12/557759012.db2.gz VOAURTKTVRYFMO-CQAGSAPUSA-N 1 1 430.633 5.357 40 0 IKABMO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225664266 557759096 /nfs/dbraw/zinc/75/90/96/557759096.db2.gz NINRTMZXLKOOEL-DRLORSAXSA-N 1 1 430.633 5.501 40 0 IKABMO FC(F)(F)c1cc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000225742953 557771703 /nfs/dbraw/zinc/77/17/03/557771703.db2.gz AJJPLSVARKDTGI-UHFFFAOYSA-N 1 1 427.923 5.094 40 0 IKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225749970 557772644 /nfs/dbraw/zinc/77/26/44/557772644.db2.gz DNRPOXFTSCKQJT-VRUMLPLGSA-N 1 1 432.649 5.747 40 0 IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000225778256 557776491 /nfs/dbraw/zinc/77/64/91/557776491.db2.gz MOYFQGLDKUBLIC-UHFFFAOYSA-N 1 1 431.923 5.343 40 0 IKABMO Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)s2)cc1 ZINC000225848506 557784910 /nfs/dbraw/zinc/78/49/10/557784910.db2.gz KQLBVLXJAKMOKJ-GOSISDBHSA-N 1 1 426.973 5.018 40 0 IKABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903918 557790032 /nfs/dbraw/zinc/79/00/32/557790032.db2.gz XQWZMEHORIKUKF-DOTOQJQBSA-N 1 1 447.804 5.292 40 0 IKABMO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000225908087 557790804 /nfs/dbraw/zinc/79/08/04/557790804.db2.gz ZEVNGPVGDXOFLX-WMLDXEAASA-N 1 1 425.787 5.736 40 0 IKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000225908087 557790807 /nfs/dbraw/zinc/79/08/07/557790807.db2.gz ZEVNGPVGDXOFLX-WMLDXEAASA-N 1 1 425.787 5.736 40 0 IKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 ZINC000225911099 557791029 /nfs/dbraw/zinc/79/10/29/557791029.db2.gz UHAJYWMXWKZCCQ-GDBMZVCRSA-N 1 1 425.787 5.736 40 0 IKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 ZINC000225911099 557791034 /nfs/dbraw/zinc/79/10/34/557791034.db2.gz UHAJYWMXWKZCCQ-GDBMZVCRSA-N 1 1 425.787 5.736 40 0 IKABMO COC[C@H]1CCC[N@H+]1C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C ZINC000030883435 560089653 /nfs/dbraw/zinc/08/96/53/560089653.db2.gz MOTQPSBDUFMLTB-QXUYBEEESA-N 1 1 441.591 5.384 40 0 biogenic,in-vitro IKABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(/C=C/c5ccc(Cl)cc5)ccc43)C2)cc1 ZINC000004237343 560197775 /nfs/dbraw/zinc/19/77/75/560197775.db2.gz FRQDQLLIVUGFFV-SWMXQXAPSA-N 1 1 446.978 5.300 40 0 biogenic,in-vitro IKABMO CC(C)[N@H+](CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c2cccc3Cl)n1 ZINC000071318879 563162218 /nfs/dbraw/zinc/16/22/18/563162218.db2.gz VCUDJYYRRWZBSA-UHFFFAOYSA-N 1 1 448.032 5.048 40 0 IKABMO CC(C)[N@@H+](CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c2cccc3Cl)n1 ZINC000071318879 563162219 /nfs/dbraw/zinc/16/22/19/563162219.db2.gz VCUDJYYRRWZBSA-UHFFFAOYSA-N 1 1 448.032 5.048 40 0 IKABMO O=C([C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1)N1CCC(Cc2ccccc2)CC1 ZINC000006529396 568792060 /nfs/dbraw/zinc/79/20/60/568792060.db2.gz QZJSKHDTZVSGTB-HHHXNRCGSA-N 1 1 426.604 5.533 40 0 IKABMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100388 568872708 /nfs/dbraw/zinc/87/27/08/568872708.db2.gz LETASVTYCGFFBU-MUUNZHRXSA-N 1 1 447.598 5.677 40 0 IKABMO O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100322 568872795 /nfs/dbraw/zinc/87/27/95/568872795.db2.gz CHRJFGUBEFMANW-DEOSSOPVSA-N 1 1 448.941 5.044 40 0 IKABMO CCc1cc([C@@H](c2ccccc2F)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001236004 568885868 /nfs/dbraw/zinc/88/58/68/568885868.db2.gz RDQISZAGRPMNSH-HSZRJFAPSA-N 1 1 437.584 5.039 40 0 IKABMO C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000057776475 568909457 /nfs/dbraw/zinc/90/94/57/568909457.db2.gz ABOFZOZJXCFLQQ-ZBLYBZFDSA-N 1 1 428.551 5.576 40 0 IKABMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000009063681 569220021 /nfs/dbraw/zinc/22/00/21/569220021.db2.gz NSYIQAXZMQRUKP-UHFFFAOYSA-N 1 1 428.979 5.172 40 0 IKABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019235946 569226130 /nfs/dbraw/zinc/22/61/30/569226130.db2.gz YPMYTOKLIJGYTK-ATIYNZHBSA-N 1 1 435.612 5.048 40 0 IKABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019702532 569232038 /nfs/dbraw/zinc/23/20/38/569232038.db2.gz HGIYYGSAMWNDFF-LJQANCHMSA-N 1 1 449.620 5.309 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1CCOc1ccccc1Cl ZINC000019738746 569235919 /nfs/dbraw/zinc/23/59/19/569235919.db2.gz CVZOKVPATBZNFZ-QHCPKHFHSA-N 1 1 437.049 5.446 40 0 IKABMO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855177 569249236 /nfs/dbraw/zinc/24/92/36/569249236.db2.gz QBBDWPFHEWIHBM-SIKLNZKXSA-N 1 1 426.988 5.279 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044855327 569249330 /nfs/dbraw/zinc/24/93/30/569249330.db2.gz OAAGBHZUELTVFN-UGKGYDQZSA-N 1 1 426.988 5.279 40 0 IKABMO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCN(Cc4ccccc4)C[C@H]3c3ccccc3)c2c1 ZINC000245227397 569269451 /nfs/dbraw/zinc/26/94/51/569269451.db2.gz LFBLAPKRGFZMMM-LMSSTIIKSA-N 1 1 439.603 5.367 40 0 IKABMO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1cccs1)[N@H+]2Cc1ccccc1 ZINC000245227913 569269466 /nfs/dbraw/zinc/26/94/66/569269466.db2.gz YMAUOWKZFNZVSE-NCAYHCJHSA-N 1 1 433.573 5.503 40 0 IKABMO CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21 ZINC000257199326 569275427 /nfs/dbraw/zinc/27/54/27/569275427.db2.gz ZSAFBTBLHQRTRB-LPOSOKHSSA-N 1 1 445.651 5.576 40 0 IKABMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198819 569275508 /nfs/dbraw/zinc/27/55/08/569275508.db2.gz JBYMGGHUFOKKPL-GSPCLOLRSA-N 1 1 433.621 5.154 40 0 IKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3ccncc32)CC1 ZINC000257208007 569275824 /nfs/dbraw/zinc/27/58/24/569275824.db2.gz BKGXJJJMEBPGTK-QFIPXVFZSA-N 1 1 438.575 5.273 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000257222477 569276327 /nfs/dbraw/zinc/27/63/27/569276327.db2.gz DTLOZEYPHZNBIU-OAQYLSRUSA-N 1 1 428.502 5.287 40 0 IKABMO Cc1cccc(Cc2cncc([C@@H]3CCC[N@H+]3Cc3cccc(OC[C@@H]4CCCO4)c3)n2)c1 ZINC000257232875 569276570 /nfs/dbraw/zinc/27/65/70/569276570.db2.gz GMUOGKSIRYFORM-XCZPVHLTSA-N 1 1 443.591 5.271 40 0 IKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2ccnc3ccccc23)CC1 ZINC000257235562 569276597 /nfs/dbraw/zinc/27/65/97/569276597.db2.gz GYJDEIVMLBZYGD-JOCHJYFZSA-N 1 1 438.575 5.273 40 0 IKABMO Cc1ccccc1-c1ccc(C[N@H+]2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257239100 569276754 /nfs/dbraw/zinc/27/67/54/569276754.db2.gz HNYQILNPUXDJEL-RBJSKKJNSA-N 1 1 446.541 5.579 40 0 IKABMO CC(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257282693 569277934 /nfs/dbraw/zinc/27/79/34/569277934.db2.gz OUVMWSQKYRUXQB-PGRDOPGGSA-N 1 1 434.411 5.647 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4oc5ccccc5c4C)CCO3)c2)s1 ZINC000257282586 569277991 /nfs/dbraw/zinc/27/79/91/569277991.db2.gz OUJUNOARMRDOBZ-OAQYLSRUSA-N 1 1 448.548 5.167 40 0 IKABMO Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000257285958 569278127 /nfs/dbraw/zinc/27/81/27/569278127.db2.gz PJOFFVSFUMUGBA-HSZRJFAPSA-N 1 1 442.519 5.105 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)c2cc(OC)ccc21 ZINC000257290413 569278228 /nfs/dbraw/zinc/27/82/28/569278228.db2.gz QCVQANAKEHEMQS-XMMPIXPASA-N 1 1 442.567 5.244 40 0 IKABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000257302600 569278472 /nfs/dbraw/zinc/27/84/72/569278472.db2.gz SDNHKICSOYRTDN-XTEPFMGCSA-N 1 1 446.541 5.660 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000257302162 569278508 /nfs/dbraw/zinc/27/85/08/569278508.db2.gz SBTJZDXBGIJWTH-LJQANCHMSA-N 1 1 438.641 5.423 40 0 IKABMO COc1cccc(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)c1OC ZINC000257304479 569278621 /nfs/dbraw/zinc/27/86/21/569278621.db2.gz SLWPIWRKDYQKLR-KRWDZBQOSA-N 1 1 438.593 5.046 40 0 IKABMO O=C1CCC[C@]2(C[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2c2ccccc2F)N1 ZINC000257309839 569278888 /nfs/dbraw/zinc/27/88/88/569278888.db2.gz UCPCWIMPAOLJIK-LBNVMWSVSA-N 1 1 426.535 5.035 40 0 IKABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2cccc(F)c2)[C@@H]1O ZINC000257315187 569278974 /nfs/dbraw/zinc/27/89/74/569278974.db2.gz VAHQFSYWXFLODZ-QIGHUWCUSA-N 1 1 439.502 5.550 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000257316124 569278980 /nfs/dbraw/zinc/27/89/80/569278980.db2.gz VEFQXRJPEHGJOG-KNQAVFIVSA-N 1 1 448.438 6.037 40 0 IKABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4ccc(Cc5cccc(F)c5)cn4)C3)ccc2O1 ZINC000257318818 569279139 /nfs/dbraw/zinc/27/91/39/569279139.db2.gz VPNBAEKUHTZFPY-HSZRJFAPSA-N 1 1 430.567 5.905 40 0 IKABMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000257323947 569279212 /nfs/dbraw/zinc/27/92/12/569279212.db2.gz WMNVHPLBAPYRQN-JOCHJYFZSA-N 1 1 446.570 5.102 40 0 IKABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C1)CCC2 ZINC000257324346 569279251 /nfs/dbraw/zinc/27/92/51/569279251.db2.gz WOFYRNRKKXIDJO-DEOSSOPVSA-N 1 1 430.567 5.688 40 0 IKABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257323710 569279262 /nfs/dbraw/zinc/27/92/62/569279262.db2.gz WLOJFWFQQAKDNT-INIZCTEOSA-N 1 1 435.568 5.223 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c(C)n1 ZINC000257324004 569279314 /nfs/dbraw/zinc/27/93/14/569279314.db2.gz WMTSZFUIGKJVSD-OAQYLSRUSA-N 1 1 442.529 5.596 40 0 IKABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccc(Cl)cc2)[C@@H]1O ZINC000257330794 569279538 /nfs/dbraw/zinc/27/95/38/569279538.db2.gz XQBIYUOJRXUXMB-DNRSQYFGSA-N 1 1 437.967 5.925 40 0 IKABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C1)CCC2 ZINC000257332305 569279580 /nfs/dbraw/zinc/27/95/80/569279580.db2.gz XWRUPDSOYWJZHA-XMMPIXPASA-N 1 1 447.022 6.203 40 0 IKABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000257339226 569279710 /nfs/dbraw/zinc/27/97/10/569279710.db2.gz ZAUHRCYZGPMROK-HHHXNRCGSA-N 1 1 440.566 5.763 40 0 IKABMO Cc1ccc(Oc2ccc(F)cc2O[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccc3)[C@H]2O)cc1 ZINC000257344382 569279924 /nfs/dbraw/zinc/27/99/24/569279924.db2.gz ZWZDZNUSUPIYFF-DFZDUAMZSA-N 1 1 435.539 5.719 40 0 IKABMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000257343855 569279929 /nfs/dbraw/zinc/27/99/29/569279929.db2.gz ZURGCJOBWCJDOJ-MHZLTWQESA-N 1 1 441.619 5.289 40 0 IKABMO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257344541 569279966 /nfs/dbraw/zinc/27/99/66/569279966.db2.gz ZXSOYQJKBVJANC-NRFANRHFSA-N 1 1 431.530 6.120 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCCC2)c1 ZINC000260812313 569281755 /nfs/dbraw/zinc/28/17/55/569281755.db2.gz AHYFOYBNDOKCNK-QHCPKHFHSA-N 1 1 434.624 5.946 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCC2)cc1 ZINC000260812563 569281815 /nfs/dbraw/zinc/28/18/15/569281815.db2.gz GPLZMDPCBLORQB-QHCPKHFHSA-N 1 1 434.624 5.946 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260817044 569281831 /nfs/dbraw/zinc/28/18/31/569281831.db2.gz VOAURTKTVRYFMO-BTKWVRSESA-N 1 1 430.633 5.357 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@H]4C)cc3)CCCC2)cc1 ZINC000260814487 569281838 /nfs/dbraw/zinc/28/18/38/569281838.db2.gz JLEYBZUFSTXSKC-HSZRJFAPSA-N 1 1 434.624 6.089 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@H]4C)cc3)CCCCC2)c1 ZINC000260814780 569281888 /nfs/dbraw/zinc/28/18/88/569281888.db2.gz NOMRMDVPMKGMCB-HSZRJFAPSA-N 1 1 434.624 6.089 40 0 IKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818188 569281902 /nfs/dbraw/zinc/28/19/02/569281902.db2.gz WWZWIXVLJVGFMS-QFIPXVFZSA-N 1 1 432.649 5.603 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260816740 569281916 /nfs/dbraw/zinc/28/19/16/569281916.db2.gz PKRHICKNWVQMJP-HCYSDIRSSA-N 1 1 430.633 5.501 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@H]4C)cc3)CCCCC2)cc1 ZINC000260818213 569281923 /nfs/dbraw/zinc/28/19/23/569281923.db2.gz XVGMRQYFNWAWAI-XMMPIXPASA-N 1 1 448.651 6.479 40 0 IKABMO COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000260945429 569282058 /nfs/dbraw/zinc/28/20/58/569282058.db2.gz VAHQGKNMOUPOEW-FPOVZHCZSA-N 1 1 426.576 5.356 40 0 IKABMO COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000260945428 569282090 /nfs/dbraw/zinc/28/20/90/569282090.db2.gz VAHQGKNMOUPOEW-CTNGQTDRSA-N 1 1 426.576 5.356 40 0 IKABMO CC(C)c1nc(NCc2ccccc2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328973191 569285121 /nfs/dbraw/zinc/28/51/21/569285121.db2.gz FAKHKYDHOIMZTG-UHFFFAOYSA-N 1 1 442.485 5.673 40 0 IKABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)C2 ZINC000328990922 569285246 /nfs/dbraw/zinc/28/52/46/569285246.db2.gz IQCOUBHJPIWBII-UHFFFAOYSA-N 1 1 432.490 5.560 40 0 IKABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)C2 ZINC000328990922 569285247 /nfs/dbraw/zinc/28/52/47/569285247.db2.gz IQCOUBHJPIWBII-UHFFFAOYSA-N 1 1 432.490 5.560 40 0 IKABMO Brc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000328980020 569285267 /nfs/dbraw/zinc/28/52/67/569285267.db2.gz GKNYNOBRPDDMQY-UHFFFAOYSA-N 1 1 435.369 5.291 40 0 IKABMO Brc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000328980020 569285269 /nfs/dbraw/zinc/28/52/69/569285269.db2.gz GKNYNOBRPDDMQY-UHFFFAOYSA-N 1 1 435.369 5.291 40 0 IKABMO CC(C)c1nc(NCc2ccccc2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329039645 569285531 /nfs/dbraw/zinc/28/55/31/569285531.db2.gz RYBQKAOORXXRAK-UHFFFAOYSA-N 1 1 437.385 5.537 40 0 IKABMO Brc1ccc2c(c1)CN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)CC2 ZINC000329067282 569285771 /nfs/dbraw/zinc/28/57/71/569285771.db2.gz YHIPLCCYZZCQBZ-UHFFFAOYSA-N 1 1 435.369 5.291 40 0 IKABMO Brc1ccc2c(c1)CN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)CC2 ZINC000329067282 569285772 /nfs/dbraw/zinc/28/57/72/569285772.db2.gz YHIPLCCYZZCQBZ-UHFFFAOYSA-N 1 1 435.369 5.291 40 0 IKABMO C1CCC[C@H]2CCCN3CC[C@@H](CCCCCC[C@H]4CCC[N@H+]5CC[C@@H](CC1)O[C@H]45)O[C@H]23 ZINC000027643832 569286163 /nfs/dbraw/zinc/28/61/63/569286163.db2.gz PQYOPBRFUUEHRC-BQXGFVACSA-N 1 1 446.720 6.335 40 0 in-vitro IKABMO C1CCC[C@H]2CCCN3CC[C@@H](CCCCCC[C@H]4CCC[N@@H+]5CC[C@@H](CC1)O[C@H]45)O[C@H]23 ZINC000027643832 569286164 /nfs/dbraw/zinc/28/61/64/569286164.db2.gz PQYOPBRFUUEHRC-BQXGFVACSA-N 1 1 446.720 6.335 40 0 in-vitro IKABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)c1 ZINC000019689519 569326458 /nfs/dbraw/zinc/32/64/58/569326458.db2.gz GNGMYYMCVGYKLI-VWLOTQADSA-N 1 1 439.563 5.104 40 0 IKABMO Cc1nc(C[N@@H+](C)CC[C@H](C)c2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019698649 569326931 /nfs/dbraw/zinc/32/69/31/569326931.db2.gz QCEVEDZMIGWCDJ-IBGZPJMESA-N 1 1 446.570 5.029 40 0 IKABMO Cc1nc(C[N@H+](C)CC[C@H](C)c2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019698649 569326932 /nfs/dbraw/zinc/32/69/32/569326932.db2.gz QCEVEDZMIGWCDJ-IBGZPJMESA-N 1 1 446.570 5.029 40 0 IKABMO Cc1nc([C@H]2CCCC[N@@H+]2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703718 569327284 /nfs/dbraw/zinc/32/72/84/569327284.db2.gz XALAHZUZAAUHQP-RUZDIDTESA-N 1 1 440.591 5.034 40 0 IKABMO Cc1nc([C@H]2CCCC[N@H+]2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703718 569327286 /nfs/dbraw/zinc/32/72/86/569327286.db2.gz XALAHZUZAAUHQP-RUZDIDTESA-N 1 1 440.591 5.034 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223225080 193954332 /nfs/dbraw/zinc/95/43/32/193954332.db2.gz DSQLIPFHIXXJON-QGZVFWFLSA-N 1 1 441.413 5.027 40 0 IKABMO CC(=O)Nc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185748 519715508 /nfs/dbraw/zinc/71/55/08/519715508.db2.gz RGGKQYBOIJADEI-QFIPXVFZSA-N 1 1 433.508 5.146 40 0 IKABMO CCN(CC)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022075493 520687761 /nfs/dbraw/zinc/68/77/61/520687761.db2.gz GZOUDUVEKLWLQP-UHFFFAOYSA-N 1 1 425.798 5.113 40 0 IKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022076345 520724615 /nfs/dbraw/zinc/72/46/15/520724615.db2.gz PHRKMDWAPAXRQI-UHFFFAOYSA-N 1 1 440.754 6.507 40 0 IKABMO CC1=C[C@@H](C[N@@H+](C)CCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442660 520882039 /nfs/dbraw/zinc/88/20/39/520882039.db2.gz ICFYQEPNJRKJPZ-LSQMVHIFSA-N 1 1 445.611 5.098 40 0 biogenic,in-vitro IKABMO CCOC(=O)c1cc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)ccc1Cl ZINC000022525684 521443515 /nfs/dbraw/zinc/44/35/15/521443515.db2.gz IRPVQYJMIJZJDF-UHFFFAOYSA-N 1 1 448.950 5.327 40 0 IKABMO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC ZINC000012185688 522372256 /nfs/dbraw/zinc/37/22/56/522372256.db2.gz QBIGXVAZKCIBGX-OAQYLSRUSA-N 1 1 440.515 5.624 40 0 IKABMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC ZINC000012185688 522372265 /nfs/dbraw/zinc/37/22/65/522372265.db2.gz QBIGXVAZKCIBGX-OAQYLSRUSA-N 1 1 440.515 5.624 40 0 IKABMO CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022515673 522884884 /nfs/dbraw/zinc/88/48/84/522884884.db2.gz NXEAJEZJPBZWOT-VWLOTQADSA-N 1 1 448.994 5.431 40 0 IKABMO CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020493526 523050660 /nfs/dbraw/zinc/05/06/60/523050660.db2.gz CLTQCETXPRHVKT-AREMUKBSSA-N 1 1 442.603 5.395 40 0 IKABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425485 524030292 /nfs/dbraw/zinc/03/02/92/524030292.db2.gz VYICQULNUABHSB-QFIPXVFZSA-N 1 1 434.540 5.189 40 0 biogenic,in-vitro IKABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425485 524030294 /nfs/dbraw/zinc/03/02/94/524030294.db2.gz VYICQULNUABHSB-QFIPXVFZSA-N 1 1 434.540 5.189 40 0 biogenic,in-vitro IKABMO C[C@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 ZINC000034896157 524086533 /nfs/dbraw/zinc/08/65/33/524086533.db2.gz MZIWRSXHNVMYEY-MLKKUZACSA-N 1 1 439.650 5.665 40 0 IKABMO C[C@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 ZINC000034896157 524086538 /nfs/dbraw/zinc/08/65/38/524086538.db2.gz MZIWRSXHNVMYEY-MLKKUZACSA-N 1 1 439.650 5.665 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)C1 ZINC000020456845 524232871 /nfs/dbraw/zinc/23/28/71/524232871.db2.gz XWNPWGLDKMTZTE-OAQYLSRUSA-N 1 1 430.617 6.463 40 0 IKABMO C[C@@H](CN[C@@H](Cc1ccccc1)c1ccccc1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000022580828 524751474 /nfs/dbraw/zinc/75/14/74/524751474.db2.gz TZTINWHNVDZMRN-YYXXCONNSA-N 1 1 434.627 6.522 40 0 IKABMO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000020455791 524776914 /nfs/dbraw/zinc/77/69/14/524776914.db2.gz DHTIXOKNZOPCNA-HSZRJFAPSA-N 1 1 428.576 5.005 40 0 IKABMO c1ccc(C(c2ccccc2)N2CC[NH+](CCCC3(c4ccccc4)OCCO3)CC2)cc1 ZINC000022058279 526461121 /nfs/dbraw/zinc/46/11/21/526461121.db2.gz LRMJAFKKJLRDLE-UHFFFAOYSA-N 1 1 442.603 5.074 40 0 investigational IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000020458975 527373863 /nfs/dbraw/zinc/37/38/63/527373863.db2.gz CPXNBULMQSOOMB-UHFFFAOYSA-N 1 1 431.923 5.343 40 0 IKABMO CC[N@H+](CCO)[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001593775 555705387 /nfs/dbraw/zinc/70/53/87/555705387.db2.gz OUUMPQIDYVRUGJ-GDLZYMKVSA-N 1 1 435.567 6.259 40 0 IKABMO CC[N@@H+](CCO)[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001593775 555705392 /nfs/dbraw/zinc/70/53/92/555705392.db2.gz OUUMPQIDYVRUGJ-GDLZYMKVSA-N 1 1 435.567 6.259 40 0 IKABMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2F)cc1 ZINC000002715218 555801459 /nfs/dbraw/zinc/80/14/59/555801459.db2.gz JZSTYBNJWRMGBR-UHFFFAOYSA-N 1 1 438.506 6.237 40 0 IKABMO CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000408575835 555926426 /nfs/dbraw/zinc/92/64/26/555926426.db2.gz NTCNUDUFYMUZNN-UHFFFAOYSA-N 1 1 441.575 5.026 40 0 IKABMO CC[NH+](CC)CC[C@@H](CNc1c(C)cnc2cc(Cl)ccc21)c1ccc(OC)cc1 ZINC000008603125 556190984 /nfs/dbraw/zinc/19/09/84/556190984.db2.gz WNOPQOBBHZSJKO-FQEVSTJZSA-N 1 1 426.004 6.133 40 0 IKABMO CC(C)(C)c1ccc(/C=C/C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013965153 556350108 /nfs/dbraw/zinc/35/01/08/556350108.db2.gz NUUCGUCVBPMAJO-KNTRCKAVSA-N 1 1 438.615 5.931 40 0 IKABMO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039772995 556437700 /nfs/dbraw/zinc/43/77/00/556437700.db2.gz KLRBUJMLLZFFJX-UHFFFAOYSA-N 1 1 449.275 6.002 40 0 IKABMO C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000029590277 556478307 /nfs/dbraw/zinc/47/83/07/556478307.db2.gz ACKAQJBYLPLIOW-JOCHJYFZSA-N 1 1 447.003 6.579 40 0 in-vitro IKABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccc(C)cc1 ZINC000013547511 556514273 /nfs/dbraw/zinc/51/42/73/556514273.db2.gz MZBMHFUWFVVLQV-UHFFFAOYSA-N 1 1 446.616 5.076 40 0 IKABMO O=C(Nc1ccc(Br)cc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030938509 556515552 /nfs/dbraw/zinc/51/55/52/556515552.db2.gz FOIGEMQGQLXXIU-CQSZACIVSA-N 1 1 425.729 5.092 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000030938717 556515607 /nfs/dbraw/zinc/51/56/07/556515607.db2.gz JNUBVLACMAWUMH-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030938688 556515639 /nfs/dbraw/zinc/51/56/39/556515639.db2.gz VWWGTRGOVQSHNR-GFCCVEGCSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030938688 556515642 /nfs/dbraw/zinc/51/56/42/556515642.db2.gz VWWGTRGOVQSHNR-GFCCVEGCSA-N 1 1 432.178 6.151 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)C1 ZINC000030943268 556516590 /nfs/dbraw/zinc/51/65/90/556516590.db2.gz DHRQCJCDPXVPDT-IBGZPJMESA-N 1 1 446.978 6.055 40 0 IKABMO O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030947094 556517253 /nfs/dbraw/zinc/51/72/53/556517253.db2.gz SNAPEWRCURDKFV-OBGYJAQLSA-N 1 1 446.610 6.144 40 0 IKABMO COC(=O)[C@H]([NH3+])Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000031947079 556528148 /nfs/dbraw/zinc/52/81/48/556528148.db2.gz MCHCARFNAUXEMK-HHHXNRCGSA-N 1 1 437.539 5.100 40 0 IKABMO FC(F)(F)c1cccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000033736650 556567315 /nfs/dbraw/zinc/56/73/15/556567315.db2.gz HTSQOTRABQZKFA-XWDORNJCSA-N 1 1 435.559 5.297 40 0 IKABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195465 556589870 /nfs/dbraw/zinc/58/98/70/556589870.db2.gz SBKYGILBJXIFHP-UHFFFAOYSA-N 1 1 447.760 5.375 40 0 IKABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccccc1Cl ZINC000016195788 556590122 /nfs/dbraw/zinc/59/01/22/556590122.db2.gz NYQUYORPRGHYPE-UHFFFAOYSA-N 1 1 447.760 5.375 40 0 IKABMO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)[C@H]1CCCC=C1[NH+]1CCCCC1 ZINC000016249393 556594487 /nfs/dbraw/zinc/59/44/87/556594487.db2.gz KRZMLUCWKMLMMF-RPLLCQBOSA-N 1 1 427.592 6.188 40 0 IKABMO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)[C@H]1CCCC=C1[NH+]1CCCCC1 ZINC000016249394 556594506 /nfs/dbraw/zinc/59/45/06/556594506.db2.gz KRZMLUCWKMLMMF-IGKIAQTJSA-N 1 1 427.592 6.188 40 0 IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000038754656 556617010 /nfs/dbraw/zinc/61/70/10/556617010.db2.gz HJLLNGKIMUECMU-UHFFFAOYSA-N 1 1 431.923 5.343 40 0 IKABMO CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038755415 556617612 /nfs/dbraw/zinc/61/76/12/556617612.db2.gz VTHSQHJLZMMSEG-DEOSSOPVSA-N 1 1 448.994 5.431 40 0 IKABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833084 556622023 /nfs/dbraw/zinc/62/20/23/556622023.db2.gz NZYWGAJSJHMIQY-RUZDIDTESA-N 1 1 432.995 5.781 40 0 IKABMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833998 556622537 /nfs/dbraw/zinc/62/25/37/556622537.db2.gz PBZMDRUUSVYHGT-ZDUSSCGKSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833998 556622539 /nfs/dbraw/zinc/62/25/39/556622539.db2.gz PBZMDRUUSVYHGT-ZDUSSCGKSA-N 1 1 442.184 5.607 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834469 556622543 /nfs/dbraw/zinc/62/25/43/556622543.db2.gz SVXCTLFHFKWIRG-INIZCTEOSA-N 1 1 435.351 5.021 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834469 556622545 /nfs/dbraw/zinc/62/25/45/556622545.db2.gz SVXCTLFHFKWIRG-INIZCTEOSA-N 1 1 435.351 5.021 40 0 IKABMO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038834600 556622840 /nfs/dbraw/zinc/62/28/40/556622840.db2.gz YUIHMQXTUAMKGH-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038837553 556623751 /nfs/dbraw/zinc/62/37/51/556623751.db2.gz NKRRUGZOWKZYTQ-LJQANCHMSA-N 1 1 437.436 5.255 40 0 IKABMO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038848665 556623784 /nfs/dbraw/zinc/62/37/84/556623784.db2.gz QRQURINVVFGOJW-UHFFFAOYSA-N 1 1 446.205 5.829 40 0 IKABMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038850224 556624433 /nfs/dbraw/zinc/62/44/33/556624433.db2.gz UTAZOIGSWBWAMA-ZDUSSCGKSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038850224 556624437 /nfs/dbraw/zinc/62/44/37/556624437.db2.gz UTAZOIGSWBWAMA-ZDUSSCGKSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1Cl ZINC000038850237 556624536 /nfs/dbraw/zinc/62/45/36/556624536.db2.gz FAERRXMOOHFHMH-UHFFFAOYSA-N 1 1 427.759 5.506 40 0 IKABMO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038851541 556625107 /nfs/dbraw/zinc/62/51/07/556625107.db2.gz SGEKAWDWAMZKHF-NRFANRHFSA-N 1 1 444.644 6.772 40 0 IKABMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038853472 556625394 /nfs/dbraw/zinc/62/53/94/556625394.db2.gz LKRYCEBBKKRKQB-UHFFFAOYSA-N 1 1 425.729 5.092 40 0 IKABMO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038860412 556626020 /nfs/dbraw/zinc/62/60/20/556626020.db2.gz NTVFVNZGVRAKBS-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(Cc2ccccc2)C(C)C)cc1 ZINC000016768322 556640176 /nfs/dbraw/zinc/64/01/76/556640176.db2.gz HVUYPEUESYIIQS-UHFFFAOYSA-N 1 1 432.571 6.811 40 0 IKABMO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044852875 556671099 /nfs/dbraw/zinc/67/10/99/556671099.db2.gz ACYRJLSYCCFQJS-QGZVFWFLSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044855397 556671592 /nfs/dbraw/zinc/67/15/92/556671592.db2.gz NQMQUTISTNBXFG-QFIPXVFZSA-N 1 1 444.978 5.418 40 0 IKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1C ZINC000044856368 556672258 /nfs/dbraw/zinc/67/22/58/556672258.db2.gz HFFPZBZKLBLUQN-SFHVURJKSA-N 1 1 429.402 5.155 40 0 IKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856873 556672684 /nfs/dbraw/zinc/67/26/84/556672684.db2.gz QWCIEWWEGQXBRL-VWLOTQADSA-N 1 1 444.575 5.143 40 0 IKABMO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044911888 556680909 /nfs/dbraw/zinc/68/09/09/556680909.db2.gz IYBQSQVRNCGORW-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044911478 556681016 /nfs/dbraw/zinc/68/10/16/556681016.db2.gz DXXLYZIICHKYNT-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044916038 556681227 /nfs/dbraw/zinc/68/12/27/556681227.db2.gz UCIRIDQWKSQHAG-QFIPXVFZSA-N 1 1 429.004 5.088 40 0 IKABMO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044915725 556681295 /nfs/dbraw/zinc/68/12/95/556681295.db2.gz KODHYWNCSJRGPG-OAQYLSRUSA-N 1 1 432.951 5.422 40 0 IKABMO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044915725 556681299 /nfs/dbraw/zinc/68/12/99/556681299.db2.gz KODHYWNCSJRGPG-OAQYLSRUSA-N 1 1 432.951 5.422 40 0 IKABMO O=C(Nc1ccccc1C(=O)c1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044915835 556681359 /nfs/dbraw/zinc/68/13/59/556681359.db2.gz UGPBZNGNGVMISR-UHFFFAOYSA-N 1 1 432.951 5.422 40 0 IKABMO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c2ccccc2O1 ZINC000044918450 556681980 /nfs/dbraw/zinc/68/19/80/556681980.db2.gz WLXHFVIZDZIZIA-OAQYLSRUSA-N 1 1 430.951 5.110 40 0 IKABMO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c2ccccc2O1 ZINC000044918446 556681986 /nfs/dbraw/zinc/68/19/86/556681986.db2.gz WLXHFVIZDZIZIA-NRFANRHFSA-N 1 1 430.951 5.110 40 0 IKABMO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044932223 556682083 /nfs/dbraw/zinc/68/20/83/556682083.db2.gz AFLRODVTVXBTLB-UHFFFAOYSA-N 1 1 435.395 5.309 40 0 IKABMO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000044936868 556682635 /nfs/dbraw/zinc/68/26/35/556682635.db2.gz MUKFJJUBBCCMBJ-HSZRJFAPSA-N 1 1 433.423 6.109 40 0 IKABMO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000044936888 556682923 /nfs/dbraw/zinc/68/29/23/556682923.db2.gz OQVDULGBTJCHAI-QHCPKHFHSA-N 1 1 443.429 5.565 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000019081971 556696644 /nfs/dbraw/zinc/69/66/44/556696644.db2.gz QSUNDQZKZQFYRI-BKMJKUGQSA-N 1 1 449.639 5.519 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000019081969 556696826 /nfs/dbraw/zinc/69/68/26/556696826.db2.gz QSUNDQZKZQFYRI-NVQXNPDNSA-N 1 1 449.639 5.519 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019081918 556696841 /nfs/dbraw/zinc/69/68/41/556696841.db2.gz AENVMVXRNXSSGZ-UTKZUKDTSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019081918 556696844 /nfs/dbraw/zinc/69/68/44/556696844.db2.gz AENVMVXRNXSSGZ-UTKZUKDTSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019081920 556696850 /nfs/dbraw/zinc/69/68/50/556696850.db2.gz AENVMVXRNXSSGZ-DYESRHJHSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019081920 556696853 /nfs/dbraw/zinc/69/68/53/556696853.db2.gz AENVMVXRNXSSGZ-DYESRHJHSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019082022 556697073 /nfs/dbraw/zinc/69/70/73/556697073.db2.gz DVJGIYBHDICOSZ-OAQYLSRUSA-N 1 1 434.411 5.504 40 0 IKABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000019220121 556714490 /nfs/dbraw/zinc/71/44/90/556714490.db2.gz OCZILPKVJXUIBB-KNQAVFIVSA-N 1 1 441.579 5.086 40 0 IKABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019236832 556721357 /nfs/dbraw/zinc/72/13/57/556721357.db2.gz GRWXCKRXPOPWKB-CPJSRVTESA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019236832 556721363 /nfs/dbraw/zinc/72/13/63/556721363.db2.gz GRWXCKRXPOPWKB-CPJSRVTESA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019236814 556721402 /nfs/dbraw/zinc/72/14/02/556721402.db2.gz ADGJBNCZRZMHMZ-CJFMBICVSA-N 1 1 435.518 5.052 40 0 IKABMO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[N@H+]3C3CCOCC3)n2)c1 ZINC000019294052 556733481 /nfs/dbraw/zinc/73/34/81/556733481.db2.gz GGTHTNFTQHJAJC-QHCPKHFHSA-N 1 1 433.531 5.127 40 0 IKABMO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000019294084 556733764 /nfs/dbraw/zinc/73/37/64/556733764.db2.gz XTZUSYHIEFYTNG-NRFANRHFSA-N 1 1 440.526 5.196 40 0 IKABMO C[C@H](CCN1CC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1C[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000019319873 556736211 /nfs/dbraw/zinc/73/62/11/556736211.db2.gz ZBJYUIRAFQUXKQ-UBFVSLLYSA-N 1 1 436.813 8.317 40 0 IKABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019400551 556753168 /nfs/dbraw/zinc/75/31/68/556753168.db2.gz OPUAYHSYFGHNBL-CJFMBICVSA-N 1 1 427.539 5.010 40 0 IKABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402657 556754112 /nfs/dbraw/zinc/75/41/12/556754112.db2.gz NVEUZSABFSVOCN-SQHAQQRYSA-N 1 1 440.591 5.013 40 0 IKABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019446639 556756165 /nfs/dbraw/zinc/75/61/65/556756165.db2.gz NLOUZHBDVCTNBO-JPYJTQIMSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019446639 556756168 /nfs/dbraw/zinc/75/61/68/556756168.db2.gz NLOUZHBDVCTNBO-JPYJTQIMSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019446645 556756194 /nfs/dbraw/zinc/75/61/94/556756194.db2.gz NLOUZHBDVCTNBO-FDDCHVKYSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019446645 556756196 /nfs/dbraw/zinc/75/61/96/556756196.db2.gz NLOUZHBDVCTNBO-FDDCHVKYSA-N 1 1 434.411 5.504 40 0 IKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N(c1ccccc1)c1ccccc1 ZINC000001326236 556771845 /nfs/dbraw/zinc/77/18/45/556771845.db2.gz AKLDPSLCRJKFAS-UHFFFAOYSA-N 1 1 427.573 5.841 40 0 IKABMO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@H+]2Cc2ccc(OC)c(OCC)c2)n1 ZINC000019525606 556783330 /nfs/dbraw/zinc/78/33/30/556783330.db2.gz WJJMZPKOWPTDOX-QHCPKHFHSA-N 1 1 446.595 5.626 40 0 IKABMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000001359087 556786142 /nfs/dbraw/zinc/78/61/42/556786142.db2.gz FTDIUUHZKVNRIT-UHFFFAOYSA-N 1 1 436.865 5.053 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1OC ZINC000019533792 556793702 /nfs/dbraw/zinc/79/37/02/556793702.db2.gz RAIZWOPXYPYBBN-INIZCTEOSA-N 1 1 431.483 5.256 40 0 IKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccc(O)c(OC)c3)no2)cc1OC ZINC000019561505 556802911 /nfs/dbraw/zinc/80/29/11/556802911.db2.gz JLRZKFNKGWEFAF-FQEVSTJZSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccc(O)c(OC)c3)no2)cc1OC ZINC000019561505 556802914 /nfs/dbraw/zinc/80/29/14/556802914.db2.gz JLRZKFNKGWEFAF-FQEVSTJZSA-N 1 1 438.524 5.190 40 0 IKABMO Cc1sc2c([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)[nH+]c(Nc3ccccc3)n2c1C ZINC000019561720 556803107 /nfs/dbraw/zinc/80/31/07/556803107.db2.gz WTGQOVUKHRTUMX-LJQANCHMSA-N 1 1 445.592 5.100 40 0 IKABMO COc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C2CCCCC2)c1 ZINC000019565405 556806171 /nfs/dbraw/zinc/80/61/71/556806171.db2.gz PBIPJQTXQSMFNR-UBFVSLLYSA-N 1 1 438.637 5.154 40 0 IKABMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1Cn1nc(C)cc1C ZINC000019574382 556814538 /nfs/dbraw/zinc/81/45/38/556814538.db2.gz TWOBBFQVFFQJCA-UHFFFAOYSA-N 1 1 444.554 5.293 40 0 IKABMO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1Cn1nc(C)cc1C ZINC000019574382 556814542 /nfs/dbraw/zinc/81/45/42/556814542.db2.gz TWOBBFQVFFQJCA-UHFFFAOYSA-N 1 1 444.554 5.293 40 0 IKABMO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)[N@H+]2Cc1ccccc1 ZINC000004981598 556826507 /nfs/dbraw/zinc/82/65/07/556826507.db2.gz ABUKBCAATVFRLI-RDNBXWRASA-N 1 1 427.544 5.441 40 0 IKABMO CC(C)c1ccc(NC(=O)NC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000008677343 556844206 /nfs/dbraw/zinc/84/42/06/556844206.db2.gz RXWUPUDUCHEETG-UHFFFAOYSA-N 1 1 444.579 5.188 40 0 IKABMO CCn1c(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)nc2ccccc21 ZINC000019689343 556844237 /nfs/dbraw/zinc/84/42/37/556844237.db2.gz VVOKUEUFDRHZBU-HSZRJFAPSA-N 1 1 444.558 5.055 40 0 IKABMO CCn1c(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)nc2ccccc21 ZINC000019689343 556844240 /nfs/dbraw/zinc/84/42/40/556844240.db2.gz VVOKUEUFDRHZBU-HSZRJFAPSA-N 1 1 444.558 5.055 40 0 IKABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)cc1 ZINC000019689987 556845231 /nfs/dbraw/zinc/84/52/31/556845231.db2.gz LXVHBTKIIWFVKE-QHCPKHFHSA-N 1 1 449.986 5.159 40 0 IKABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)[nH]n2)cc1F ZINC000019703636 556862209 /nfs/dbraw/zinc/86/22/09/556862209.db2.gz RXDBYSLOHRYOAD-VWLOTQADSA-N 1 1 434.490 5.195 40 0 IKABMO Cc1nn(-c2ccccn2)c2nc([C@H]3CCC[N@@H+]3Cc3c(C)[nH]c4ccc(F)cc43)ccc12 ZINC000019742444 556886452 /nfs/dbraw/zinc/88/64/52/556886452.db2.gz YWEMIEDLZBCAGE-XMMPIXPASA-N 1 1 440.526 5.390 40 0 IKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330448 556905846 /nfs/dbraw/zinc/90/58/46/556905846.db2.gz JOEJFBSVOQAJAR-ZEVQAIKDSA-N 1 1 431.624 5.635 40 0 IKABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000072330555 556906734 /nfs/dbraw/zinc/90/67/34/556906734.db2.gz ISODBYSWWKPDCB-HOFKKMOUSA-N 1 1 448.010 5.437 40 0 IKABMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350307 556920381 /nfs/dbraw/zinc/92/03/81/556920381.db2.gz ZIVXLVGPKKMXNP-LJQANCHMSA-N 1 1 428.502 5.287 40 0 IKABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350307 556920384 /nfs/dbraw/zinc/92/03/84/556920384.db2.gz ZIVXLVGPKKMXNP-LJQANCHMSA-N 1 1 428.502 5.287 40 0 IKABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000072352493 556924597 /nfs/dbraw/zinc/92/45/97/556924597.db2.gz YEXSEJQXOFPYMZ-KRWDZBQOSA-N 1 1 426.557 5.001 40 0 IKABMO CCc1c(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000072361009 556933166 /nfs/dbraw/zinc/93/31/66/556933166.db2.gz CKJYGHLQPFDEDC-QGZVFWFLSA-N 1 1 446.620 5.042 40 0 IKABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000072371478 556938839 /nfs/dbraw/zinc/93/88/39/556938839.db2.gz ZCVUTFONNWJUCM-FQEVSTJZSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000072371478 556938842 /nfs/dbraw/zinc/93/88/42/556938842.db2.gz ZCVUTFONNWJUCM-FQEVSTJZSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000072371478 556938845 /nfs/dbraw/zinc/93/88/45/556938845.db2.gz ZCVUTFONNWJUCM-FQEVSTJZSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cccc5ncccc45)C3)[nH]n2)c1 ZINC000072371726 556940528 /nfs/dbraw/zinc/94/05/28/556940528.db2.gz LCBGXAHYVXGGOB-IBGZPJMESA-N 1 1 432.955 5.222 40 0 IKABMO Clc1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4cccc5ncccc45)C3)n[nH]2)c1 ZINC000072371726 556940529 /nfs/dbraw/zinc/94/05/29/556940529.db2.gz LCBGXAHYVXGGOB-IBGZPJMESA-N 1 1 432.955 5.222 40 0 IKABMO Clc1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cccc5ncccc45)C3)n[nH]2)c1 ZINC000072371726 556940530 /nfs/dbraw/zinc/94/05/30/556940530.db2.gz LCBGXAHYVXGGOB-IBGZPJMESA-N 1 1 432.955 5.222 40 0 IKABMO COc1ccccc1CCC(=O)N1CCC[C@H]1c1cc(Nc2ncc(C)s2)cc(C)[nH+]1 ZINC000072372544 556943062 /nfs/dbraw/zinc/94/30/62/556943062.db2.gz QWLFCPKZIDPWOT-NRFANRHFSA-N 1 1 436.581 5.203 40 0 IKABMO Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372581 556943117 /nfs/dbraw/zinc/94/31/17/556943117.db2.gz CLUAOFKNAFJEOI-JOCHJYFZSA-N 1 1 441.535 5.572 40 0 IKABMO COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3cc(Nc4nc(C)cs4)cc(C)[nH+]3)cc21 ZINC000072372590 556943149 /nfs/dbraw/zinc/94/31/49/556943149.db2.gz MPUPWUSKLTZTAJ-NRFANRHFSA-N 1 1 447.564 5.366 40 0 IKABMO COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)cc1 ZINC000072372543 556943169 /nfs/dbraw/zinc/94/31/69/556943169.db2.gz LRVITRPARYUEBK-JOCHJYFZSA-N 1 1 436.581 5.203 40 0 IKABMO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)[nH+]1 ZINC000072372645 556943394 /nfs/dbraw/zinc/94/33/94/556943394.db2.gz DYQKKOYBEXURES-RUZDIDTESA-N 1 1 439.563 5.615 40 0 IKABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3cc4c(cccc4C)[nH]3)c2)n1 ZINC000072372629 556943449 /nfs/dbraw/zinc/94/34/49/556943449.db2.gz PIYPHMVSWLULPJ-DEOSSOPVSA-N 1 1 440.551 5.307 40 0 IKABMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cc1CO ZINC000072372715 556943683 /nfs/dbraw/zinc/94/36/83/556943683.db2.gz XTDOADFSLXYUBT-QFIPXVFZSA-N 1 1 438.597 5.127 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cc1CO ZINC000072372715 556943687 /nfs/dbraw/zinc/94/36/87/556943687.db2.gz XTDOADFSLXYUBT-QFIPXVFZSA-N 1 1 438.597 5.127 40 0 IKABMO CCOCc1ccc(C(=O)N2CCC[C@H]2c2cc(Nc3ncccc3C)cc(C)[nH+]2)cc1 ZINC000072372651 556943774 /nfs/dbraw/zinc/94/37/74/556943774.db2.gz RYBOXHZKRARFHO-DEOSSOPVSA-N 1 1 430.552 5.351 40 0 IKABMO COCc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372705 556943834 /nfs/dbraw/zinc/94/38/34/556943834.db2.gz CUHHQODFCCBGAR-XMMPIXPASA-N 1 1 447.583 5.033 40 0 IKABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372705 556943836 /nfs/dbraw/zinc/94/38/36/556943836.db2.gz CUHHQODFCCBGAR-XMMPIXPASA-N 1 1 447.583 5.033 40 0 IKABMO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cc4ccccc4nc3N(C)C)n2)n1 ZINC000072375393 556951162 /nfs/dbraw/zinc/95/11/62/556951162.db2.gz ONYSGACANSOWOK-DEOSSOPVSA-N 1 1 438.579 5.480 40 0 IKABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cc1 ZINC000072376622 556955008 /nfs/dbraw/zinc/95/50/08/556955008.db2.gz ZJZRLUMPFICWKE-QHCPKHFHSA-N 1 1 449.986 5.159 40 0 IKABMO Cc1cc(C[C@H]2COC[C@@H]2[N@@H+](Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)on1 ZINC000072395084 556966376 /nfs/dbraw/zinc/96/63/76/556966376.db2.gz NRQFQQFFSZSCQV-CVDCTZTESA-N 1 1 448.460 5.401 40 0 IKABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000072398612 556970368 /nfs/dbraw/zinc/97/03/68/556970368.db2.gz NPLWUADKUOXYNA-GJZUVCINSA-N 1 1 449.639 5.085 40 0 IKABMO CC(C)c1ccccc1O[C@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020105229 556982179 /nfs/dbraw/zinc/98/21/79/556982179.db2.gz ZYUVRNWZAALRPK-HSZRJFAPSA-N 1 1 442.603 5.511 40 0 IKABMO O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100328 557034032 /nfs/dbraw/zinc/03/40/32/557034032.db2.gz CHRJFGUBEFMANW-XMMPIXPASA-N 1 1 448.941 5.044 40 0 IKABMO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000408576465 557043041 /nfs/dbraw/zinc/04/30/41/557043041.db2.gz VJRNPJPDABJEKQ-UHFFFAOYSA-N 1 1 432.567 5.764 40 0 IKABMO O=C(c1ccc(N2CCCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408703759 557121277 /nfs/dbraw/zinc/12/12/77/557121277.db2.gz YDWSTXXNUSJKPT-UHFFFAOYSA-N 1 1 439.603 5.224 40 0 IKABMO CCCCC[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343528 557123436 /nfs/dbraw/zinc/12/34/36/557123436.db2.gz INXGAHHQCIHNOR-RGTFROLJSA-N 1 1 443.631 6.897 40 0 IKABMO CCOc1ccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870370 557138704 /nfs/dbraw/zinc/13/87/04/557138704.db2.gz GNNODONVEXLKEF-UHFFFAOYSA-N 1 1 426.560 6.414 40 0 IKABMO COc1cc2c(cc1OC)C[N@H+](Cc1cc3sccc3n1Cc1ccc(F)cc1)CC2 ZINC000057718502 557258854 /nfs/dbraw/zinc/25/88/54/557258854.db2.gz KOGHGAMHEHFLCV-UHFFFAOYSA-N 1 1 436.552 5.466 40 0 IKABMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3sccc3n1Cc1ccc(F)cc1)CC2 ZINC000057718502 557258855 /nfs/dbraw/zinc/25/88/55/557258855.db2.gz KOGHGAMHEHFLCV-UHFFFAOYSA-N 1 1 436.552 5.466 40 0 IKABMO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774862 557264782 /nfs/dbraw/zinc/26/47/82/557264782.db2.gz PTWPLXVMNNTQFN-FYYLOGMGSA-N 1 1 428.020 5.773 40 0 IKABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000022913661 557273063 /nfs/dbraw/zinc/27/30/63/557273063.db2.gz MPNRDKGQWSVHOO-NRFANRHFSA-N 1 1 426.604 6.033 40 0 IKABMO C[C@@H](CCN1CC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1C[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000104043226 557319477 /nfs/dbraw/zinc/31/94/77/557319477.db2.gz ZBJYUIRAFQUXKQ-SIDNZMCZSA-N 1 1 436.813 8.317 40 0 IKABMO C[C@@H](CC[N@H+]1CCN(CC[C@@H](C)CC(C)(C)C)C1C[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000104043226 557319479 /nfs/dbraw/zinc/31/94/79/557319479.db2.gz ZBJYUIRAFQUXKQ-SIDNZMCZSA-N 1 1 436.813 8.317 40 0 IKABMO C[C@@H](CC[N@@H+]1CCN(CC[C@@H](C)CC(C)(C)C)C1C[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000104043226 557319481 /nfs/dbraw/zinc/31/94/81/557319481.db2.gz ZBJYUIRAFQUXKQ-SIDNZMCZSA-N 1 1 436.813 8.317 40 0 IKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499289 557328568 /nfs/dbraw/zinc/32/85/68/557328568.db2.gz RQMUQROSLHQVCQ-XMMPIXPASA-N 1 1 448.615 5.224 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215828 557342722 /nfs/dbraw/zinc/34/27/22/557342722.db2.gz CWJXYEYEQVDLGL-VWLOTQADSA-N 1 1 443.591 6.882 40 0 IKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000072215769 557342726 /nfs/dbraw/zinc/34/27/26/557342726.db2.gz SJYPLCPLKHNMIS-RUZDIDTESA-N 1 1 449.639 6.883 40 0 IKABMO CCc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000013569108 557347535 /nfs/dbraw/zinc/34/75/35/557347535.db2.gz OWRZXFHGFKWMQG-UHFFFAOYSA-N 1 1 426.564 5.100 40 0 IKABMO C[C@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 ZINC000110518625 557353181 /nfs/dbraw/zinc/35/31/81/557353181.db2.gz MZIWRSXHNVMYEY-JSGMVNSGSA-N 1 1 439.650 5.665 40 0 IKABMO C[C@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 ZINC000110518625 557353184 /nfs/dbraw/zinc/35/31/84/557353184.db2.gz MZIWRSXHNVMYEY-JSGMVNSGSA-N 1 1 439.650 5.665 40 0 IKABMO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)[N@H+]2Cc1ccccc1 ZINC000013563495 557353721 /nfs/dbraw/zinc/35/37/21/557353721.db2.gz YMAUOWKZFNZVSE-XBZNOJLSSA-N 1 1 433.573 5.503 40 0 IKABMO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222626145 557364670 /nfs/dbraw/zinc/36/46/70/557364670.db2.gz NYOCDVZWJASLOA-MRXNPFEDSA-N 1 1 447.391 5.363 40 0 IKABMO Cc1cc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000222845026 557393146 /nfs/dbraw/zinc/39/31/46/557393146.db2.gz SOSACDURFIGANP-OAQYLSRUSA-N 1 1 448.994 5.350 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975819 557410510 /nfs/dbraw/zinc/41/05/10/557410510.db2.gz ZAJVTNPOCGDNOP-QGZVFWFLSA-N 1 1 428.979 5.447 40 0 IKABMO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000222986545 557412228 /nfs/dbraw/zinc/41/22/28/557412228.db2.gz FPKPPHNTVGZGKC-HHHXNRCGSA-N 1 1 442.603 5.395 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223008547 557415090 /nfs/dbraw/zinc/41/50/90/557415090.db2.gz PAIPYOIFEBXJIQ-KRWDZBQOSA-N 1 1 428.979 5.447 40 0 IKABMO CC(C)c1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025767407 557419651 /nfs/dbraw/zinc/41/96/51/557419651.db2.gz FKAPSGVHQJKQMD-UHFFFAOYSA-N 1 1 426.604 5.676 40 0 IKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)cc1)C[N@H+](Cc1ccccc1)CC3 ZINC000014162727 557424763 /nfs/dbraw/zinc/42/47/63/557424763.db2.gz KMDSAGOIDDNJAH-UHFFFAOYSA-N 1 1 439.993 5.321 40 0 IKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1)CC3 ZINC000014162727 557424765 /nfs/dbraw/zinc/42/47/65/557424765.db2.gz KMDSAGOIDDNJAH-UHFFFAOYSA-N 1 1 439.993 5.321 40 0 IKABMO COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000223367787 557463541 /nfs/dbraw/zinc/46/35/41/557463541.db2.gz VAHQGKNMOUPOEW-TZIWHRDSSA-N 1 1 426.576 5.356 40 0 IKABMO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000223470406 557475576 /nfs/dbraw/zinc/47/55/76/557475576.db2.gz HVOXOGASMRUJOT-GOSISDBHSA-N 1 1 433.423 6.008 40 0 IKABMO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000223578867 557488203 /nfs/dbraw/zinc/48/82/03/557488203.db2.gz BPFCNRYESDOWIN-UHFFFAOYSA-N 1 1 440.946 5.040 40 0 IKABMO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000223793787 557514354 /nfs/dbraw/zinc/51/43/54/557514354.db2.gz LZENRPLMGZHAOO-UHFFFAOYSA-N 1 1 449.422 5.524 40 0 IKABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1C ZINC000223948745 557532714 /nfs/dbraw/zinc/53/27/14/557532714.db2.gz KMRYWJVDISPYMZ-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000224028149 557547421 /nfs/dbraw/zinc/54/74/21/557547421.db2.gz RWYFSYWGHAPODQ-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000224389235 557600527 /nfs/dbraw/zinc/60/05/27/557600527.db2.gz QSSYGAMKRJMJQA-NFBKMPQASA-N 1 1 441.015 5.751 40 0 IKABMO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540404 557618649 /nfs/dbraw/zinc/61/86/49/557618649.db2.gz OXVLMTQGKISETE-UHFFFAOYSA-N 1 1 441.786 5.054 40 0 IKABMO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000224550152 557621203 /nfs/dbraw/zinc/62/12/03/557621203.db2.gz OTOKUMSMOCSLFQ-UHFFFAOYSA-N 1 1 446.994 5.184 40 0 IKABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224559443 557623379 /nfs/dbraw/zinc/62/33/79/557623379.db2.gz LCCKYOHSFNOOFQ-UHFFFAOYSA-N 1 1 444.575 5.109 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000224733860 557645446 /nfs/dbraw/zinc/64/54/46/557645446.db2.gz JSCVMNPVVQCDGX-JOCHJYFZSA-N 1 1 449.422 5.790 40 0 IKABMO O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000224927517 557667858 /nfs/dbraw/zinc/66/78/58/557667858.db2.gz WXYOBFSASLOSMT-UHFFFAOYSA-N 1 1 441.506 5.106 40 0 IKABMO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224969043 557672546 /nfs/dbraw/zinc/67/25/46/557672546.db2.gz UVQUMWFCYJKQNS-UHFFFAOYSA-N 1 1 429.967 5.320 40 0 IKABMO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000224980742 557674321 /nfs/dbraw/zinc/67/43/21/557674321.db2.gz CIUHZSSACBJIDW-UHFFFAOYSA-N 1 1 429.967 5.320 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)C1 ZINC000225432090 557722407 /nfs/dbraw/zinc/72/24/07/557722407.db2.gz MDMOCWYNBGZZHI-OAHLLOKOSA-N 1 1 426.973 5.343 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000225473917 557727076 /nfs/dbraw/zinc/72/70/76/557727076.db2.gz WXVQPYHWXMKOJV-JOCHJYFZSA-N 1 1 432.967 5.276 40 0 IKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520904 557734946 /nfs/dbraw/zinc/73/49/46/557734946.db2.gz UOQBYQLTEMLLMZ-NRFANRHFSA-N 1 1 438.587 5.920 40 0 IKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCC3)cc2)C1 ZINC000225526096 557736308 /nfs/dbraw/zinc/73/63/08/557736308.db2.gz SHKKMHGPFWFQNX-HXUWFJFHSA-N 1 1 441.015 5.901 40 0 IKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225526206 557736323 /nfs/dbraw/zinc/73/63/23/557736323.db2.gz OJJWJGAKEWFSDE-FQEVSTJZSA-N 1 1 441.015 6.044 40 0 IKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534804 557737970 /nfs/dbraw/zinc/73/79/70/557737970.db2.gz KZJKQDXMKNKKTR-QHCPKHFHSA-N 1 1 434.624 6.171 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)c1 ZINC000225540284 557738864 /nfs/dbraw/zinc/73/88/64/557738864.db2.gz BARJGMNHPOWWNZ-XMMPIXPASA-N 1 1 448.651 6.336 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCCC2)cc1 ZINC000225542854 557739241 /nfs/dbraw/zinc/73/92/41/557739241.db2.gz XVGMRQYFNWAWAI-DEOSSOPVSA-N 1 1 448.651 6.479 40 0 IKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 ZINC000225547991 557740297 /nfs/dbraw/zinc/74/02/97/557740297.db2.gz GNQJWYRZNWFYPE-NRFANRHFSA-N 1 1 438.587 5.777 40 0 IKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225548072 557740303 /nfs/dbraw/zinc/74/03/03/557740303.db2.gz MXEZUGLFQWWKHI-NRFANRHFSA-N 1 1 438.587 5.920 40 0 IKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561857 557742673 /nfs/dbraw/zinc/74/26/73/557742673.db2.gz DPHHZVIOMWBTIG-JOCHJYFZSA-N 1 1 436.596 5.017 40 0 IKABMO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225583603 557747021 /nfs/dbraw/zinc/74/70/21/557747021.db2.gz LLAGUNCEGGYMJY-DEOSSOPVSA-N 1 1 446.994 5.603 40 0 IKABMO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c2ccccc2O1 ZINC000225586059 557747667 /nfs/dbraw/zinc/74/76/67/557747667.db2.gz TWDPCPOJYTWONE-NRFANRHFSA-N 1 1 430.951 5.110 40 0 IKABMO C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586907 557747952 /nfs/dbraw/zinc/74/79/52/557747952.db2.gz WIAQNNBEQVJCKB-GOSISDBHSA-N 1 1 430.995 5.564 40 0 IKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225652169 557757242 /nfs/dbraw/zinc/75/72/42/557757242.db2.gz SOJFYOFWYWWYNK-NVQXNPDNSA-N 1 1 432.649 6.034 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000225655046 557757479 /nfs/dbraw/zinc/75/74/79/557757479.db2.gz SRAYBBBCNHHCQF-QFIPXVFZSA-N 1 1 449.422 5.790 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225663305 557758975 /nfs/dbraw/zinc/75/89/75/557758975.db2.gz VOAURTKTVRYFMO-ZUVQJFRASA-N 1 1 430.633 5.357 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225669189 557760122 /nfs/dbraw/zinc/76/01/22/557760122.db2.gz PKRHICKNWVQMJP-GUXMJAIHSA-N 1 1 430.633 5.501 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225696174 557765526 /nfs/dbraw/zinc/76/55/26/557765526.db2.gz BQIPUKWLPRFBLH-QFIPXVFZSA-N 1 1 432.649 5.746 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225696554 557765533 /nfs/dbraw/zinc/76/55/33/557765533.db2.gz GUZLUUPJMDREOH-HSZRJFAPSA-N 1 1 446.676 5.993 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225696598 557765558 /nfs/dbraw/zinc/76/55/58/557765558.db2.gz OVVGELCHHFCKGD-QHCPKHFHSA-N 1 1 446.676 6.136 40 0 IKABMO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906821 557790574 /nfs/dbraw/zinc/79/05/74/557790574.db2.gz VNJSVLSQPGCZHH-HXUWFJFHSA-N 1 1 427.375 5.675 40 0 IKABMO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906821 557790577 /nfs/dbraw/zinc/79/05/77/557790577.db2.gz VNJSVLSQPGCZHH-HXUWFJFHSA-N 1 1 427.375 5.675 40 0 IKABMO O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000004258720 560197846 /nfs/dbraw/zinc/19/78/46/560197846.db2.gz APHDCKYZBOWIJO-DOTOQJQBSA-N 1 1 446.494 5.095 40 0 biogenic,in-vitro IKABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3cccc(C)c3)CC2)sc1CCOc1ccccc1 ZINC000019738686 568752402 /nfs/dbraw/zinc/75/24/02/568752402.db2.gz MNWPCSXQDYHAME-AREMUKBSSA-N 1 1 436.621 5.255 40 0 IKABMO Cc1cc(C)cc(C(=O)N2CCC[C@@]3(C2)C[N@@H+](C(C)C)Cc2c(-c4ccccc4)ncn23)c1 ZINC000585106593 568872648 /nfs/dbraw/zinc/87/26/48/568872648.db2.gz CJJRWXVTDKHPQX-MUUNZHRXSA-N 1 1 442.607 5.022 40 0 IKABMO Cc1cc(C)cc(C(=O)N2CCC[C@]3(C2)C[N@@H+](C(C)C)Cc2c(-c4ccccc4)ncn23)c1 ZINC000585106594 568872802 /nfs/dbraw/zinc/87/28/02/568872802.db2.gz CJJRWXVTDKHPQX-NDEPHWFRSA-N 1 1 442.607 5.022 40 0 IKABMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100081 568872805 /nfs/dbraw/zinc/87/28/05/568872805.db2.gz FEGWOAJLJWRZBW-NDEPHWFRSA-N 1 1 447.598 5.677 40 0 IKABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)cc1 ZINC000585262935 568873852 /nfs/dbraw/zinc/87/38/52/568873852.db2.gz PWVWLPJMWNDAIB-LJQANCHMSA-N 1 1 432.955 5.438 40 0 IKABMO FC(F)(F)c1nc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)n2)no1 ZINC000585266373 568874555 /nfs/dbraw/zinc/87/45/55/568874555.db2.gz UXBQWPCVZLDZCW-MRXNPFEDSA-N 1 1 439.441 5.078 40 0 IKABMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000019234963 569226047 /nfs/dbraw/zinc/22/60/47/569226047.db2.gz HIXPCWQFYIIFFW-LEAFIULHSA-N 1 1 427.592 5.092 40 0 IKABMO Cc1ccsc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000019238617 569226328 /nfs/dbraw/zinc/22/63/28/569226328.db2.gz HKPWKVCNGBNTTD-BKMJKUGQSA-N 1 1 433.621 5.154 40 0 IKABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402659 569226702 /nfs/dbraw/zinc/22/67/02/569226702.db2.gz NVEUZSABFSVOCN-SHQCIBLASA-N 1 1 440.591 5.013 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000019704293 569233281 /nfs/dbraw/zinc/23/32/81/569233281.db2.gz HGVKFRBLBICYBS-JOCHJYFZSA-N 1 1 435.616 5.496 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)n[nH]2)C1 ZINC000019704293 569233282 /nfs/dbraw/zinc/23/32/82/569233282.db2.gz HGVKFRBLBICYBS-JOCHJYFZSA-N 1 1 435.616 5.496 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)n[nH]2)C1 ZINC000019704293 569233283 /nfs/dbraw/zinc/23/32/83/569233283.db2.gz HGVKFRBLBICYBS-JOCHJYFZSA-N 1 1 435.616 5.496 40 0 IKABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCCCC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705244 569234161 /nfs/dbraw/zinc/23/41/61/569234161.db2.gz SQORXFUQXZIXAV-HSZRJFAPSA-N 1 1 436.568 5.315 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCCCC3)CC2)sc1CCOc1ccccc1F ZINC000019705421 569234313 /nfs/dbraw/zinc/23/43/13/569234313.db2.gz SYWKJRLFUZNTHF-DEOSSOPVSA-N 1 1 432.605 5.218 40 0 IKABMO Cc1ncc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C(F)(F)F)c2)s1 ZINC000019713166 569235411 /nfs/dbraw/zinc/23/54/11/569235411.db2.gz FTAFQDMAAGFVCE-UXHICEINSA-N 1 1 437.531 5.016 40 0 IKABMO COc1c(C)cccc1C[N@@H+]1[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713920 569235786 /nfs/dbraw/zinc/23/57/86/569235786.db2.gz NZHSWRARPRYWLO-PWRODBHTSA-N 1 1 432.486 5.007 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cccc3ncccc23)ncc1C(=O)Nc1ccccc1 ZINC000019755774 569236843 /nfs/dbraw/zinc/23/68/43/569236843.db2.gz MKTLIYMYMZJBGZ-VWLOTQADSA-N 1 1 437.547 5.313 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cccc3ncccc23)ncc1C(=O)Nc1ccccc1 ZINC000019755774 569236845 /nfs/dbraw/zinc/23/68/45/569236845.db2.gz MKTLIYMYMZJBGZ-VWLOTQADSA-N 1 1 437.547 5.313 40 0 IKABMO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855178 569249299 /nfs/dbraw/zinc/24/92/99/569249299.db2.gz QBBDWPFHEWIHBM-UGKGYDQZSA-N 1 1 426.988 5.279 40 0 IKABMO CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)c2ccccc21 ZINC000257199329 569275470 /nfs/dbraw/zinc/27/54/70/569275470.db2.gz ZSAFBTBLHQRTRB-ZICYKWEPSA-N 1 1 445.651 5.576 40 0 IKABMO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000257201845 569275568 /nfs/dbraw/zinc/27/55/68/569275568.db2.gz AJGQIDPSXIWJID-IBGZPJMESA-N 1 1 449.520 6.259 40 0 IKABMO Fc1ccc(Nc2cccc(C3CC[NH+](Cc4nc5cc(Cl)ccc5[nH]4)CC3)n2)nc1 ZINC000257202103 569275665 /nfs/dbraw/zinc/27/56/65/569275665.db2.gz AKLHXFLGURTJCO-UHFFFAOYSA-N 1 1 436.922 5.269 40 0 IKABMO COc1ccccc1-c1ccccc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000257210681 569275857 /nfs/dbraw/zinc/27/58/57/569275857.db2.gz BVRPDQBMAQLHAF-LBNVMWSVSA-N 1 1 444.550 5.140 40 0 IKABMO CC(C)n1c(C[N@H+]2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc2ccccc21 ZINC000257212047 569276008 /nfs/dbraw/zinc/27/60/08/569276008.db2.gz CBRTWPHQYDOXMV-QHCPKHFHSA-N 1 1 442.582 6.122 40 0 IKABMO CCc1cccc2c(C[N@H+]3CC[C@@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c21 ZINC000257216307 569276030 /nfs/dbraw/zinc/27/60/30/569276030.db2.gz CTXNLHSMVLBPPF-LJQANCHMSA-N 1 1 445.632 5.647 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000257222476 569276125 /nfs/dbraw/zinc/27/61/25/569276125.db2.gz DTLOZEYPHZNBIU-NRFANRHFSA-N 1 1 428.502 5.287 40 0 IKABMO CC(C)C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCCC[C@@H]21 ZINC000257222710 569276345 /nfs/dbraw/zinc/27/63/45/569276345.db2.gz DUKJRTPYQATLHG-RSYZFUPGSA-N 1 1 445.569 7.252 40 0 IKABMO CCc1c(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000257230590 569276406 /nfs/dbraw/zinc/27/64/06/569276406.db2.gz GCZMLCKEAAABQG-SFHVURJKSA-N 1 1 445.632 5.647 40 0 IKABMO CCc1c(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000257230589 569276475 /nfs/dbraw/zinc/27/64/75/569276475.db2.gz GCZMLCKEAAABQG-GOSISDBHSA-N 1 1 445.632 5.647 40 0 IKABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)ccc2O1 ZINC000257233498 569276630 /nfs/dbraw/zinc/27/66/30/569276630.db2.gz GPOBMWHHFQXYQI-OAQYLSRUSA-N 1 1 448.557 6.044 40 0 IKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)CC(C)(C)O5)C3)nc2)c1 ZINC000257234361 569276691 /nfs/dbraw/zinc/27/66/91/569276691.db2.gz GTEVURLXOGYNDD-XMMPIXPASA-N 1 1 442.603 5.774 40 0 IKABMO Cc1c(C[N@H+]2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)oc2ccc(C)cc12 ZINC000257241913 569276868 /nfs/dbraw/zinc/27/68/68/569276868.db2.gz IAFKJXIADCKNDQ-URXFXBBRSA-N 1 1 447.623 6.093 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257266454 569277507 /nfs/dbraw/zinc/27/75/07/569277507.db2.gz MDCRVWLOBBOGBQ-UHFFFAOYSA-N 1 1 436.579 5.442 40 0 IKABMO Cc1cc(-c2cc3c(NC4CC[NH+](Cc5ccccc5)CC4)n[nH]c3nc2C(C)C)on1 ZINC000257271477 569277690 /nfs/dbraw/zinc/27/76/90/569277690.db2.gz MYMLVZVDRZWMNO-UHFFFAOYSA-N 1 1 430.556 5.121 40 0 IKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@H+]3Cc3c(C)cc(OC)c(C)c3C)nc2)c1 ZINC000257288440 569278090 /nfs/dbraw/zinc/27/80/90/569278090.db2.gz PUFFEZUMDPVJBC-HHHXNRCGSA-N 1 1 430.592 5.952 40 0 IKABMO Cc1c2ccccc2oc1C(=O)N1CCO[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000257285959 569278106 /nfs/dbraw/zinc/27/81/06/569278106.db2.gz PJOFFVSFUMUGBA-QHCPKHFHSA-N 1 1 442.519 5.105 40 0 IKABMO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCC[N@H+]3[C@H]3CCSC3)nn21 ZINC000257294439 569278401 /nfs/dbraw/zinc/27/84/01/569278401.db2.gz QUDLRRSRMZPSRT-NZUILWFCSA-N 1 1 428.549 5.247 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000257302161 569278571 /nfs/dbraw/zinc/27/85/71/569278571.db2.gz SBTJZDXBGIJWTH-IBGZPJMESA-N 1 1 438.641 5.423 40 0 IKABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000257316123 569278998 /nfs/dbraw/zinc/27/89/98/569278998.db2.gz VEFQXRJPEHGJOG-DENIHFKCSA-N 1 1 448.438 6.037 40 0 IKABMO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc1OC2(C)C ZINC000257323740 569279207 /nfs/dbraw/zinc/27/92/07/569279207.db2.gz WLQIVKBCVXNHKR-MBWHEUGSSA-N 1 1 448.607 5.087 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322226 569279282 /nfs/dbraw/zinc/27/92/82/569279282.db2.gz WFCJOGZGQRLQQN-UGKGYDQZSA-N 1 1 431.983 5.522 40 0 IKABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3cccc(F)c3[nH]1)[C@@H]2Cc1ccccc1 ZINC000257325037 569279375 /nfs/dbraw/zinc/27/93/75/569279375.db2.gz WRETZYILWMCTJJ-PFGYYQCGSA-N 1 1 431.555 5.006 40 0 IKABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4oc5ccccc5c4C)CCO3)c2)n1 ZINC000257328795 569279437 /nfs/dbraw/zinc/27/94/37/569279437.db2.gz XHDSWLPHIWDSBW-NRFANRHFSA-N 1 1 448.548 5.167 40 0 IKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812372 569281734 /nfs/dbraw/zinc/28/17/34/569281734.db2.gz AVVRMCJSCIGUMF-BKMJKUGQSA-N 1 1 432.649 5.892 40 0 IKABMO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000260833527 569281881 /nfs/dbraw/zinc/28/18/81/569281881.db2.gz XQWZMEHORIKUKF-WBVHZDCISA-N 1 1 447.804 5.292 40 0 IKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@H](C)C4)cc3)CCCC2)cc1 ZINC000260816973 569281897 /nfs/dbraw/zinc/28/18/97/569281897.db2.gz SRIBYIIIOFIOIG-NRFANRHFSA-N 1 1 436.596 5.256 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814767 569281934 /nfs/dbraw/zinc/28/19/34/569281934.db2.gz NINRTMZXLKOOEL-VVZHRXSXSA-N 1 1 430.633 5.501 40 0 IKABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)CC2 ZINC000329023014 569285452 /nfs/dbraw/zinc/28/54/52/569285452.db2.gz OQHIWLXXPOOGFJ-UHFFFAOYSA-N 1 1 432.490 5.560 40 0 IKABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)CC2 ZINC000329023014 569285453 /nfs/dbraw/zinc/28/54/53/569285453.db2.gz OQHIWLXXPOOGFJ-UHFFFAOYSA-N 1 1 432.490 5.560 40 0 IKABMO CC(C)c1nc(NC2CCCCC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329013981 569285464 /nfs/dbraw/zinc/28/54/64/569285464.db2.gz MTCNGYYWNHUHHS-UHFFFAOYSA-N 1 1 434.506 5.806 40 0 IKABMO Cc1nc(C[N@@H+](C)CC[C@@H](C)c2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019698650 569326834 /nfs/dbraw/zinc/32/68/34/569326834.db2.gz QCEVEDZMIGWCDJ-LJQANCHMSA-N 1 1 446.570 5.029 40 0 IKABMO Cc1nc(C[N@H+](C)CC[C@@H](C)c2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019698650 569326836 /nfs/dbraw/zinc/32/68/36/569326836.db2.gz QCEVEDZMIGWCDJ-LJQANCHMSA-N 1 1 446.570 5.029 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703717 569327342 /nfs/dbraw/zinc/32/73/42/569327342.db2.gz XALAHZUZAAUHQP-VWLOTQADSA-N 1 1 440.591 5.034 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@H+]2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703717 569327344 /nfs/dbraw/zinc/32/73/44/569327344.db2.gz XALAHZUZAAUHQP-VWLOTQADSA-N 1 1 440.591 5.034 40 0 IKABMO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1 ZINC000005675226 132275575 /nfs/dbraw/zinc/27/55/75/132275575.db2.gz UDIFSLUTFKRNHF-GOSISDBHSA-N 1 1 429.992 5.013 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081907 518587795 /nfs/dbraw/zinc/58/77/95/518587795.db2.gz WQCKZFODFKODBS-GJZUVCINSA-N 1 1 449.639 5.519 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019082058 518589247 /nfs/dbraw/zinc/58/92/47/518589247.db2.gz PEARAEPDLIUVNL-OAQYLSRUSA-N 1 1 434.411 5.504 40 0 IKABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OCc1ccccc1Cl ZINC000022075661 520713425 /nfs/dbraw/zinc/71/34/25/520713425.db2.gz AXFRMDRLKLJNLM-UHFFFAOYSA-N 1 1 425.400 5.403 40 0 IKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cc(OC)c(O)c(OC)c3)no2)cc1 ZINC000012185646 523116608 /nfs/dbraw/zinc/11/66/08/523116608.db2.gz JFJLXBNHMBIWGW-OAQYLSRUSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cc(OC)c(O)c(OC)c3)no2)cc1 ZINC000012185646 523116614 /nfs/dbraw/zinc/11/66/14/523116614.db2.gz JFJLXBNHMBIWGW-OAQYLSRUSA-N 1 1 438.524 5.190 40 0 IKABMO C[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000035930630 525673419 /nfs/dbraw/zinc/67/34/19/525673419.db2.gz LBMQWGLSKLHDSA-MQZDDTPHSA-N 1 1 445.606 7.163 40 0 IKABMO O=C(CC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020530703 526335471 /nfs/dbraw/zinc/33/54/71/526335471.db2.gz JDCFYWGCSKOXCE-UHFFFAOYSA-N 1 1 426.604 5.507 40 0 IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000022531185 527385866 /nfs/dbraw/zinc/38/58/66/527385866.db2.gz YOQZMYAVAWCKSD-UHFFFAOYSA-N 1 1 443.572 5.282 40 0 IKABMO O=c1c(-c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000020503177 527449549 /nfs/dbraw/zinc/44/95/49/527449549.db2.gz YCJRWCVCNYXUPZ-DOTOQJQBSA-N 1 1 430.495 5.215 40 0 biogenic,in-vitro IKABMO OCCN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000016768331 527550361 /nfs/dbraw/zinc/55/03/61/527550361.db2.gz KFBIJHLMRODVLJ-UHFFFAOYSA-N 1 1 438.506 5.226 40 0 IKABMO C[N@@H+](Cc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000001583635 555704291 /nfs/dbraw/zinc/70/42/91/555704291.db2.gz ZUCWJCZDTZGBHU-MFMCTBQISA-N 1 1 433.551 6.168 40 0 IKABMO CC[NH+](CC)CC[C@H](CNc1c(C)cnc2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000001592016 555704919 /nfs/dbraw/zinc/70/49/19/555704919.db2.gz BEHRYSUQMOVSKT-LJQANCHMSA-N 1 1 430.423 6.778 40 0 IKABMO CC[N@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000001628522 555707031 /nfs/dbraw/zinc/70/70/31/555707031.db2.gz OJDYOYOACQNEAI-VBKZILBWSA-N 1 1 447.189 5.713 40 0 IKABMO c1ccc(CC[NH+]2C(c3ccccc3)=CN(Cc3ccccc3)C=C2c2ccccc2)cc1 ZINC000001731066 555711221 /nfs/dbraw/zinc/71/12/21/555711221.db2.gz SCUPTIYZDUPTIN-UHFFFAOYSA-N 1 1 428.579 7.044 40 0 IKABMO N[C@@H](CCCCCCCCCCCC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000005759563 556064821 /nfs/dbraw/zinc/06/48/21/556064821.db2.gz YITBJFFBJDRKLW-UIOOFZCWSA-N 1 1 436.640 6.088 40 0 IKABMO Cc1ccc(C)c(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000013710648 556283867 /nfs/dbraw/zinc/28/38/67/556283867.db2.gz HBSMJRXZOPGYHT-QHCPKHFHSA-N 1 1 428.576 5.005 40 0 IKABMO C[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013763892 556301889 /nfs/dbraw/zinc/30/18/89/556301889.db2.gz LBMQWGLSKLHDSA-MOBIUZRASA-N 1 1 445.606 7.163 40 0 IKABMO Cc1ccc(C(C)C)c(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000014009316 556354200 /nfs/dbraw/zinc/35/42/00/556354200.db2.gz IIFMUEINZFLMNC-UHFFFAOYSA-N 1 1 442.603 5.431 40 0 IKABMO O=C(NCCSc1ccc(Cl)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039763651 556436588 /nfs/dbraw/zinc/43/65/88/556436588.db2.gz UTVLCWBKKORVBA-UHFFFAOYSA-N 1 1 441.399 5.253 40 0 IKABMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039742669 556438075 /nfs/dbraw/zinc/43/80/75/556438075.db2.gz MKQBBHNNYXPCPH-UHFFFAOYSA-N 1 1 449.275 6.002 40 0 IKABMO Cc1cc(I)ccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000030751283 556502928 /nfs/dbraw/zinc/50/29/28/556502928.db2.gz DOAJGDQJIPQZCL-HNNXBMFYSA-N 1 1 448.348 5.084 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)C1 ZINC000030755014 556504445 /nfs/dbraw/zinc/50/44/45/556504445.db2.gz KDXVWMGHYWCOES-OAQYLSRUSA-N 1 1 441.575 5.101 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)C1 ZINC000030755015 556504616 /nfs/dbraw/zinc/50/46/16/556504616.db2.gz KDXVWMGHYWCOES-NRFANRHFSA-N 1 1 441.575 5.101 40 0 IKABMO Cc1cccc2cc(C[N@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500604 556509425 /nfs/dbraw/zinc/50/94/25/556509425.db2.gz HDZJPZWRVUTDQT-XMMPIXPASA-N 1 1 448.615 5.080 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030938715 556515601 /nfs/dbraw/zinc/51/56/01/556515601.db2.gz FIXFGVJOOSVXQB-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000030940386 556516240 /nfs/dbraw/zinc/51/62/40/556516240.db2.gz IGJMMWPBMYCLCS-UHFFFAOYSA-N 1 1 431.374 5.087 40 0 IKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000030943272 556516605 /nfs/dbraw/zinc/51/66/05/556516605.db2.gz UPIHGQSWZLBJJH-UHFFFAOYSA-N 1 1 429.907 5.377 40 0 IKABMO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030943325 556516646 /nfs/dbraw/zinc/51/66/46/556516646.db2.gz POMHTLROKNOQMD-HXUWFJFHSA-N 1 1 428.960 5.148 40 0 IKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030945417 556517282 /nfs/dbraw/zinc/51/72/82/556517282.db2.gz ADGOVKLEAGOYRF-CYBMUJFWSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030945417 556517284 /nfs/dbraw/zinc/51/72/84/556517284.db2.gz ADGOVKLEAGOYRF-CYBMUJFWSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030945429 556517329 /nfs/dbraw/zinc/51/73/29/556517329.db2.gz YQVCDZDUYGSSGH-LBPRGKRZSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030945429 556517330 /nfs/dbraw/zinc/51/73/30/556517330.db2.gz YQVCDZDUYGSSGH-LBPRGKRZSA-N 1 1 432.178 6.151 40 0 IKABMO Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000016311897 556599854 /nfs/dbraw/zinc/59/98/54/556599854.db2.gz IOHRRUFKGABSJZ-AREMUKBSSA-N 1 1 432.995 6.093 40 0 IKABMO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2Cl)c(Cl)c1 ZINC000016449714 556609184 /nfs/dbraw/zinc/60/91/84/556609184.db2.gz FCMGZGBDNNPPQD-UHFFFAOYSA-N 1 1 441.185 7.169 40 0 IKABMO COc1ccc(C[C@]2(C)C[N@H+](C(c3ccccc3)c3ccccc3)CCN2C)cc1OC ZINC000038655326 556615254 /nfs/dbraw/zinc/61/52/54/556615254.db2.gz HBIDWFPFQACMBQ-MUUNZHRXSA-N 1 1 430.592 5.042 40 0 in-man IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1 ZINC000038753251 556616326 /nfs/dbraw/zinc/61/63/26/556616326.db2.gz SJWOKKFWSDUUDT-LJQANCHMSA-N 1 1 434.967 6.617 40 0 IKABMO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833938 556622040 /nfs/dbraw/zinc/62/20/40/556622040.db2.gz BIUBGRCRLFYZCX-ZDUSSCGKSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833938 556622043 /nfs/dbraw/zinc/62/20/43/556622043.db2.gz BIUBGRCRLFYZCX-ZDUSSCGKSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038833949 556622100 /nfs/dbraw/zinc/62/21/00/556622100.db2.gz GFQWEJVWZVQHLQ-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038834011 556622500 /nfs/dbraw/zinc/62/25/00/556622500.db2.gz NLWBVBHKNMSREO-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833994 556622520 /nfs/dbraw/zinc/62/25/20/556622520.db2.gz XPJSCSSLZUKILL-CQSZACIVSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833994 556622522 /nfs/dbraw/zinc/62/25/22/556622522.db2.gz XPJSCSSLZUKILL-CQSZACIVSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833995 556622532 /nfs/dbraw/zinc/62/25/32/556622532.db2.gz XPJSCSSLZUKILL-AWEZNQCLSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833995 556622533 /nfs/dbraw/zinc/62/25/33/556622533.db2.gz XPJSCSSLZUKILL-AWEZNQCLSA-N 1 1 442.184 5.607 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834465 556622550 /nfs/dbraw/zinc/62/25/50/556622550.db2.gz XFBXTOXHJPQRLW-KRWDZBQOSA-N 1 1 435.351 5.021 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834465 556622552 /nfs/dbraw/zinc/62/25/52/556622552.db2.gz XFBXTOXHJPQRLW-KRWDZBQOSA-N 1 1 435.351 5.021 40 0 IKABMO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834903 556622776 /nfs/dbraw/zinc/62/27/76/556622776.db2.gz RMCADPXLRUYLMJ-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834700 556622849 /nfs/dbraw/zinc/62/28/49/556622849.db2.gz HFOJDGCMNXHJMC-AWEZNQCLSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834700 556622850 /nfs/dbraw/zinc/62/28/50/556622850.db2.gz HFOJDGCMNXHJMC-AWEZNQCLSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038835015 556623083 /nfs/dbraw/zinc/62/30/83/556623083.db2.gz YWERSXHKMHUYHW-GFCCVEGCSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038835015 556623085 /nfs/dbraw/zinc/62/30/85/556623085.db2.gz YWERSXHKMHUYHW-GFCCVEGCSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038835516 556623096 /nfs/dbraw/zinc/62/30/96/556623096.db2.gz IUYZCZLSPNZXDJ-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038835014 556623160 /nfs/dbraw/zinc/62/31/60/556623160.db2.gz YWERSXHKMHUYHW-LBPRGKRZSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038835014 556623162 /nfs/dbraw/zinc/62/31/62/556623162.db2.gz YWERSXHKMHUYHW-LBPRGKRZSA-N 1 1 432.178 6.151 40 0 IKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 ZINC000016681528 556623827 /nfs/dbraw/zinc/62/38/27/556623827.db2.gz KMKUDPVZGYADDU-UHFFFAOYSA-N 1 1 442.774 5.050 40 0 IKABMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038849806 556624447 /nfs/dbraw/zinc/62/44/47/556624447.db2.gz QQHGDFMKRCLOKX-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038849808 556624498 /nfs/dbraw/zinc/62/44/98/556624498.db2.gz KMOUXDAVMJPSPI-UHFFFAOYSA-N 1 1 441.291 5.319 40 0 IKABMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038850223 556624530 /nfs/dbraw/zinc/62/45/30/556624530.db2.gz UTAZOIGSWBWAMA-CYBMUJFWSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038850223 556624532 /nfs/dbraw/zinc/62/45/32/556624532.db2.gz UTAZOIGSWBWAMA-CYBMUJFWSA-N 1 1 427.759 5.506 40 0 IKABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000038850889 556624756 /nfs/dbraw/zinc/62/47/56/556624756.db2.gz PEJSKCFAXWXZSO-UHFFFAOYSA-N 1 1 445.434 5.687 40 0 IKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038860826 556626338 /nfs/dbraw/zinc/62/63/38/556626338.db2.gz UMQCYFCFIGXDFF-LJQANCHMSA-N 1 1 438.930 6.122 40 0 IKABMO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044786483 556667653 /nfs/dbraw/zinc/66/76/53/556667653.db2.gz SGEKAWDWAMZKHF-OAQYLSRUSA-N 1 1 444.644 6.772 40 0 IKABMO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044851437 556670527 /nfs/dbraw/zinc/67/05/27/556670527.db2.gz QBPOVVQKXRWWHR-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO CCCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044851542 556670565 /nfs/dbraw/zinc/67/05/65/556670565.db2.gz TXMZLFPPONXGKV-QFIPXVFZSA-N 1 1 429.004 5.090 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044855429 556671684 /nfs/dbraw/zinc/67/16/84/556671684.db2.gz HPQIPCUTZLBFIS-SANMLTNESA-N 1 1 440.587 5.586 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044855325 556671699 /nfs/dbraw/zinc/67/16/99/556671699.db2.gz OAAGBHZUELTVFN-KNQAVFIVSA-N 1 1 426.988 5.279 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1C ZINC000044856675 556672194 /nfs/dbraw/zinc/67/21/94/556672194.db2.gz YOQXJGRMEPEVPE-QHCPKHFHSA-N 1 1 433.423 6.090 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856517 556672212 /nfs/dbraw/zinc/67/22/12/556672212.db2.gz IOCGAGAIPYBIBX-QHCPKHFHSA-N 1 1 433.423 6.090 40 0 IKABMO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044906387 556680081 /nfs/dbraw/zinc/68/00/81/556680081.db2.gz AZZHGDJSHJHYQA-UHFFFAOYSA-N 1 1 439.814 5.608 40 0 IKABMO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044909951 556680751 /nfs/dbraw/zinc/68/07/51/556680751.db2.gz SAIHEQZCJUWFBB-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO O=C(Nc1ccccc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044915831 556681214 /nfs/dbraw/zinc/68/12/14/556681214.db2.gz MNTUJENODFVGES-UHFFFAOYSA-N 1 1 432.951 5.422 40 0 IKABMO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044916557 556681573 /nfs/dbraw/zinc/68/15/73/556681573.db2.gz GPXNRSBGYZXZCH-UHFFFAOYSA-N 1 1 442.603 5.395 40 0 IKABMO O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044917320 556681587 /nfs/dbraw/zinc/68/15/87/556681587.db2.gz CKNZXCKMZLYROW-UHFFFAOYSA-N 1 1 426.560 5.819 40 0 IKABMO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc2O1 ZINC000044918392 556681901 /nfs/dbraw/zinc/68/19/01/556681901.db2.gz NMTMLXRWZKWXKX-NRFANRHFSA-N 1 1 447.406 5.624 40 0 IKABMO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c2ccccc2O1 ZINC000044918382 556681915 /nfs/dbraw/zinc/68/19/15/556681915.db2.gz FVWKAQJTYHSRNA-NRFANRHFSA-N 1 1 447.406 5.624 40 0 IKABMO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc2O1 ZINC000044918397 556681939 /nfs/dbraw/zinc/68/19/39/556681939.db2.gz NMTMLXRWZKWXKX-OAQYLSRUSA-N 1 1 447.406 5.624 40 0 IKABMO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c2ccccc2O1 ZINC000044918402 556681961 /nfs/dbraw/zinc/68/19/61/556681961.db2.gz NUBLTADSXUTGCJ-NRFANRHFSA-N 1 1 447.406 5.624 40 0 IKABMO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c2ccccc2O1 ZINC000044918406 556682005 /nfs/dbraw/zinc/68/20/05/556682005.db2.gz NUBLTADSXUTGCJ-OAQYLSRUSA-N 1 1 447.406 5.624 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936314 556682686 /nfs/dbraw/zinc/68/26/86/556682686.db2.gz KKLHAAKBQFXNPA-QFIPXVFZSA-N 1 1 435.395 5.482 40 0 IKABMO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044937740 556682980 /nfs/dbraw/zinc/68/29/80/556682980.db2.gz LCUJQHZZILIEHY-PMERELPUSA-N 1 1 446.594 6.073 40 0 IKABMO COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044937099 556683012 /nfs/dbraw/zinc/68/30/12/556683012.db2.gz RSIAANWTGKPVES-ZJSXRUAMSA-N 1 1 429.004 5.464 40 0 IKABMO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044937317 556683031 /nfs/dbraw/zinc/68/30/31/556683031.db2.gz NDMNYVOHCLUVSW-XMMPIXPASA-N 1 1 446.994 5.603 40 0 IKABMO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044938639 556683392 /nfs/dbraw/zinc/68/33/92/556683392.db2.gz WXXKUZSTCOOWMX-UHFFFAOYSA-N 1 1 433.415 5.412 40 0 IKABMO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1cccc2ncccc12)c1ccccn1 ZINC000019082767 556697420 /nfs/dbraw/zinc/69/74/20/556697420.db2.gz ZBVJBBPYESHMOH-BKMJKUGQSA-N 1 1 444.623 5.668 40 0 IKABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000019220119 556714354 /nfs/dbraw/zinc/71/43/54/556714354.db2.gz OCZILPKVJXUIBB-UGKGYDQZSA-N 1 1 441.579 5.086 40 0 IKABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236834 556721478 /nfs/dbraw/zinc/72/14/78/556721478.db2.gz OMCGVHHFEZRBJQ-ATIYNZHBSA-N 1 1 443.591 5.090 40 0 IKABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019236813 556721603 /nfs/dbraw/zinc/72/16/03/556721603.db2.gz ADGJBNCZRZMHMZ-NLFFAJNJSA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019236871 556721866 /nfs/dbraw/zinc/72/18/66/556721866.db2.gz BWCLOGGRAHEESR-RUZDIDTESA-N 1 1 435.518 5.052 40 0 IKABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(C)c1C ZINC000019239789 556725636 /nfs/dbraw/zinc/72/56/36/556725636.db2.gz UKAKYRXTUVMUFK-DEOSSOPVSA-N 1 1 445.611 5.266 40 0 IKABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCC[N@H+]3C[C@@H]3CCOC3)nn21 ZINC000019344165 556742045 /nfs/dbraw/zinc/74/20/45/556742045.db2.gz ZZEZIEAAAHYMJO-YOEHRIQHSA-N 1 1 436.503 5.040 40 0 IKABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000019347736 556743546 /nfs/dbraw/zinc/74/35/46/556743546.db2.gz LHJHDPOETRCZDD-KCZVDYSFSA-N 1 1 426.582 5.079 40 0 IKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019369012 556746864 /nfs/dbraw/zinc/74/68/64/556746864.db2.gz FSKBFJNJSSKAJW-FIXSFTCYSA-N 1 1 437.008 5.532 40 0 IKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019368999 556746875 /nfs/dbraw/zinc/74/68/75/556746875.db2.gz XUSDWBXVIPFFBE-HJOGWXRNSA-N 1 1 437.008 5.532 40 0 IKABMO O=C(c1cc2ccccc2nc1C1CC[NH+](Cc2cccc(F)c2F)CC1)N1CCCC1 ZINC000019376242 556752135 /nfs/dbraw/zinc/75/21/35/556752135.db2.gz FTOKUVOUHLIYSD-UHFFFAOYSA-N 1 1 435.518 5.129 40 0 IKABMO O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000019400252 556752836 /nfs/dbraw/zinc/75/28/36/556752836.db2.gz YDZKKHWYUPUBSH-VDKIKQQVSA-N 1 1 449.957 5.004 40 0 IKABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400666 556753047 /nfs/dbraw/zinc/75/30/47/556753047.db2.gz IJYQIGXWGGCOGZ-HOFKKMOUSA-N 1 1 447.623 5.273 40 0 IKABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400669 556753323 /nfs/dbraw/zinc/75/33/23/556753323.db2.gz IJYQIGXWGGCOGZ-WNCULLNHSA-N 1 1 447.623 5.273 40 0 IKABMO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000019401695 556753870 /nfs/dbraw/zinc/75/38/70/556753870.db2.gz UXUNIZPJHPCJDN-HXUWFJFHSA-N 1 1 440.526 5.196 40 0 IKABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019446641 556756183 /nfs/dbraw/zinc/75/61/83/556756183.db2.gz NLOUZHBDVCTNBO-WZONZLPQSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019446641 556756187 /nfs/dbraw/zinc/75/61/87/556756187.db2.gz NLOUZHBDVCTNBO-WZONZLPQSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019453278 556764002 /nfs/dbraw/zinc/76/40/02/556764002.db2.gz VLYYCYJHHNVRDS-GSDHBNRESA-N 1 1 445.632 5.397 40 0 IKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000001335293 556776196 /nfs/dbraw/zinc/77/61/96/556776196.db2.gz DVLJXNMJAGHHRT-UHFFFAOYSA-N 1 1 443.572 5.907 40 0 IKABMO O=C(Nc1ccccc1)Nc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1 ZINC000001342617 556779220 /nfs/dbraw/zinc/77/92/20/556779220.db2.gz QWBXWEVCISKJTJ-UHFFFAOYSA-N 1 1 425.536 6.390 40 0 IKABMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C2CCCCC2)cc1 ZINC000019555445 556798282 /nfs/dbraw/zinc/79/82/82/556798282.db2.gz CZOFHFXAZVEDAD-UBFVSLLYSA-N 1 1 438.637 5.154 40 0 IKABMO COc1cc(C)c(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC ZINC000019567014 556807276 /nfs/dbraw/zinc/80/72/76/556807276.db2.gz GWGUQWUTUGNCKT-XUZZJYLKSA-N 1 1 435.568 5.117 40 0 IKABMO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)[N@H+]2Cc1ccccc1 ZINC000004981600 556826471 /nfs/dbraw/zinc/82/64/71/556826471.db2.gz ABUKBCAATVFRLI-NRLAXTHWSA-N 1 1 427.544 5.441 40 0 IKABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000019687422 556841930 /nfs/dbraw/zinc/84/19/30/556841930.db2.gz KRDDMDGBAAWLPX-DEOSSOPVSA-N 1 1 427.527 5.234 40 0 IKABMO Cc1nn(-c2ccccn2)c2nc([C@@H]3CCC[N@@H+]3Cc3c(C)[nH]c4ccc(F)cc43)ccc12 ZINC000019742446 556886496 /nfs/dbraw/zinc/88/64/96/556886496.db2.gz YWEMIEDLZBCAGE-DEOSSOPVSA-N 1 1 440.526 5.390 40 0 IKABMO Cc1nn(-c2ccccn2)c2nc([C@H]3CCC[N@@H+]3Cc3cn(C)c4ccc(F)cc34)ccc12 ZINC000019742438 556886508 /nfs/dbraw/zinc/88/65/08/556886508.db2.gz BQTGMLDEOKJJMJ-XMMPIXPASA-N 1 1 440.526 5.092 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000072330429 556905421 /nfs/dbraw/zinc/90/54/21/556905421.db2.gz SJVXRBDLXUORKH-CLOONOSVSA-N 1 1 444.604 5.018 40 0 IKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330477 556905870 /nfs/dbraw/zinc/90/58/70/556905870.db2.gz NEXFORKBUORCEF-PQPYZNTLSA-N 1 1 439.603 5.297 40 0 IKABMO C=C1[NH+]=C(SCc2ccccc2Cl)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408987995 556910552 /nfs/dbraw/zinc/91/05/52/556910552.db2.gz GOGDQHRNLVLTDY-OAQYLSRUSA-N 1 1 444.984 5.510 40 0 IKABMO CCc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)C[N@H+](Cc1ccccc1)CC3 ZINC000019819709 556923025 /nfs/dbraw/zinc/92/30/25/556923025.db2.gz POFLETHQGIEXAD-UHFFFAOYSA-N 1 1 433.602 5.230 40 0 IKABMO CCc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)C[N@@H+](Cc1ccccc1)CC3 ZINC000019819709 556923028 /nfs/dbraw/zinc/92/30/28/556923028.db2.gz POFLETHQGIEXAD-UHFFFAOYSA-N 1 1 433.602 5.230 40 0 IKABMO Cc1cccc(C)c1-n1c(=O)c2c3c(sc2[nH]c1=S)C[N@H+](Cc1ccccc1)CC3 ZINC000019819717 556923093 /nfs/dbraw/zinc/92/30/93/556923093.db2.gz WKNRSPHVWWTGAA-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO Cc1cccc(C)c1-n1c(=O)c2c3c(sc2[nH]c1=S)C[N@@H+](Cc1ccccc1)CC3 ZINC000019819717 556923094 /nfs/dbraw/zinc/92/30/94/556923094.db2.gz WKNRSPHVWWTGAA-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO Cc1cc(C)cc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)c1 ZINC000019819725 556923177 /nfs/dbraw/zinc/92/31/77/556923177.db2.gz FUVPEEQSOWWALK-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO Cc1cc(C)cc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)c1 ZINC000019819725 556923179 /nfs/dbraw/zinc/92/31/79/556923179.db2.gz FUVPEEQSOWWALK-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO COc1ccc2c(C[N@H+]3CC[C@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352284 556923643 /nfs/dbraw/zinc/92/36/43/556923643.db2.gz STFOPRNKEOINDS-KRWDZBQOSA-N 1 1 447.604 5.093 40 0 IKABMO COc1ccc2c(C[N@H+]3CC[C@@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352285 556923669 /nfs/dbraw/zinc/92/36/69/556923669.db2.gz STFOPRNKEOINDS-QGZVFWFLSA-N 1 1 447.604 5.093 40 0 IKABMO OCCCn1cc(C[N@H+]2CCC[C@H]2c2ccc(Nc3ccc(F)cn3)cn2)c2ccccc21 ZINC000072353189 556925834 /nfs/dbraw/zinc/92/58/34/556925834.db2.gz HETZVIQGCYTTBZ-VWLOTQADSA-N 1 1 445.542 5.034 40 0 IKABMO CCc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358217 556931697 /nfs/dbraw/zinc/93/16/97/556931697.db2.gz BHAUEEKXXUMMLJ-QFIPXVFZSA-N 1 1 426.486 5.381 40 0 IKABMO CCc1ncc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358217 556931701 /nfs/dbraw/zinc/93/17/01/556931701.db2.gz BHAUEEKXXUMMLJ-QFIPXVFZSA-N 1 1 426.486 5.381 40 0 IKABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1Cc1ccc2cccc(OC)c2n1 ZINC000072370373 556934703 /nfs/dbraw/zinc/93/47/03/556934703.db2.gz JLHIVEAWVNSLLS-IBGZPJMESA-N 1 1 445.588 5.025 40 0 IKABMO C[N@H+]1CCC[C@H](c2cccc(CC3(C(=O)N4CCC5(C4)CCCCC5)CCOCC3)c2)C1 ZINC000072372261 556941845 /nfs/dbraw/zinc/94/18/45/556941845.db2.gz CJGKMZUIZPGCDH-VWLOTQADSA-N 1 1 438.656 5.018 40 0 IKABMO CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cc(Nc3ncccc3C)cc(C)[nH+]2)cc1 ZINC000072372650 556943465 /nfs/dbraw/zinc/94/34/65/556943465.db2.gz RYBOXHZKRARFHO-XMMPIXPASA-N 1 1 430.552 5.351 40 0 IKABMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cc1CO ZINC000072372714 556943878 /nfs/dbraw/zinc/94/38/78/556943878.db2.gz XTDOADFSLXYUBT-JOCHJYFZSA-N 1 1 438.597 5.127 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cc1CO ZINC000072372714 556943879 /nfs/dbraw/zinc/94/38/79/556943879.db2.gz XTDOADFSLXYUBT-JOCHJYFZSA-N 1 1 438.597 5.127 40 0 IKABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)C(C)(C)c3ccccc3F)c2)n1 ZINC000072372723 556944140 /nfs/dbraw/zinc/94/41/40/556944140.db2.gz YJEQKCIHXYPWHZ-HSZRJFAPSA-N 1 1 447.558 5.321 40 0 IKABMO CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019933961 556950185 /nfs/dbraw/zinc/95/01/85/556950185.db2.gz QOWQOBPIVMWBNA-SANMLTNESA-N 1 1 442.603 5.395 40 0 IKABMO COCc1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)ccc1OC(C)C ZINC000072375843 556953268 /nfs/dbraw/zinc/95/32/68/556953268.db2.gz BCVAAKQKDOUWMU-OAQYLSRUSA-N 1 1 438.597 5.552 40 0 IKABMO CCc1nnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)s1 ZINC000072376046 556953846 /nfs/dbraw/zinc/95/38/46/556953846.db2.gz RTMCBCOKGAFNMD-IBGZPJMESA-N 1 1 430.581 5.167 40 0 IKABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cc1 ZINC000072376621 556955045 /nfs/dbraw/zinc/95/50/45/556955045.db2.gz ZJZRLUMPFICWKE-HSZRJFAPSA-N 1 1 449.986 5.159 40 0 IKABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000072398617 556970245 /nfs/dbraw/zinc/97/02/45/556970245.db2.gz HPMDLLFMLUYPQP-GJZUVCINSA-N 1 1 449.639 5.085 40 0 IKABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000072398613 556970302 /nfs/dbraw/zinc/97/03/02/556970302.db2.gz NPLWUADKUOXYNA-NVQXNPDNSA-N 1 1 449.639 5.085 40 0 IKABMO O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000408575205 557042302 /nfs/dbraw/zinc/04/23/02/557042302.db2.gz HGVPUPDFDQXTQT-UHFFFAOYSA-N 1 1 444.884 6.169 40 0 IKABMO COc1cc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(OC)cc1Cl ZINC000408576087 557045505 /nfs/dbraw/zinc/04/55/05/557045505.db2.gz RIHCKJAUZYGXQC-UHFFFAOYSA-N 1 1 436.939 5.168 40 0 IKABMO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408681899 557099398 /nfs/dbraw/zinc/09/93/98/557099398.db2.gz VQMOZZFJJBYGTN-RUZDIDTESA-N 1 1 448.994 5.431 40 0 IKABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(C)c1C ZINC000096315920 557198391 /nfs/dbraw/zinc/19/83/91/557198391.db2.gz UKAKYRXTUVMUFK-XMMPIXPASA-N 1 1 445.611 5.266 40 0 IKABMO Clc1ccc2c(c1)nccc2NCCCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000026184399 557236996 /nfs/dbraw/zinc/23/69/96/557236996.db2.gz HHWIMTYEHYWKEK-UHFFFAOYSA-N 1 1 439.390 7.174 40 0 IKABMO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000219420979 557243911 /nfs/dbraw/zinc/24/39/11/557243911.db2.gz RSQYZFISWHBPEI-UHFFFAOYSA-N 1 1 447.450 6.078 40 0 IKABMO Fc1ccc(C2(CCC[N@H+]3CCC[C@@]4(C3)Nc3ccccc3-n3cccc34)OCCO2)cc1 ZINC000057719649 557259264 /nfs/dbraw/zinc/25/92/64/557259264.db2.gz YAGZFKJJNCUVJW-SANMLTNESA-N 1 1 447.554 5.013 40 0 IKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)CC1 ZINC000408841156 557262185 /nfs/dbraw/zinc/26/21/85/557262185.db2.gz JHCXZAGDVCAZJP-UHFFFAOYSA-N 1 1 449.982 5.232 40 0 IKABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000022931234 557274637 /nfs/dbraw/zinc/27/46/37/557274637.db2.gz FZTFRRBTHWQZPN-UHFFFAOYSA-N 1 1 435.571 5.322 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063839 557278710 /nfs/dbraw/zinc/27/87/10/557278710.db2.gz FMDVLGNSTQQKMI-DEOSSOPVSA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063839 557278712 /nfs/dbraw/zinc/27/87/12/557278712.db2.gz FMDVLGNSTQQKMI-DEOSSOPVSA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064825 557279110 /nfs/dbraw/zinc/27/91/10/557279110.db2.gz PPORNZZGUNGVFE-DEOSSOPVSA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064825 557279113 /nfs/dbraw/zinc/27/91/13/557279113.db2.gz PPORNZZGUNGVFE-DEOSSOPVSA-N 1 1 448.615 5.142 40 0 IKABMO C[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000102673748 557305198 /nfs/dbraw/zinc/30/51/98/557305198.db2.gz LBMQWGLSKLHDSA-QOTGBRPGSA-N 1 1 445.606 7.163 40 0 IKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500626 557324054 /nfs/dbraw/zinc/32/40/54/557324054.db2.gz ZYOSCURQRURKSH-XMMPIXPASA-N 1 1 448.615 5.080 40 0 IKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500097 557329886 /nfs/dbraw/zinc/32/98/86/557329886.db2.gz FCMQLBSZLNMPDC-HSZRJFAPSA-N 1 1 448.615 5.224 40 0 IKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000072215649 557341250 /nfs/dbraw/zinc/34/12/50/557341250.db2.gz NHEHBBNTMXMKSA-XMMPIXPASA-N 1 1 435.612 6.493 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215672 557342627 /nfs/dbraw/zinc/34/26/27/557342627.db2.gz KXOBNANCGZVSSZ-XMMPIXPASA-N 1 1 435.612 6.493 40 0 IKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000072215731 557342643 /nfs/dbraw/zinc/34/26/43/557342643.db2.gz WQIXAQMZOFEMDC-DEOSSOPVSA-N 1 1 435.612 6.493 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215792 557342688 /nfs/dbraw/zinc/34/26/88/557342688.db2.gz WTHVZZBIDYHXQQ-XMMPIXPASA-N 1 1 429.564 6.492 40 0 IKABMO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCN(Cc4ccccc4)C[C@@H]3c3ccccc3)c2c1 ZINC000013563991 557354003 /nfs/dbraw/zinc/35/40/03/557354003.db2.gz LFBLAPKRGFZMMM-PXJZQJOASA-N 1 1 439.603 5.367 40 0 IKABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349946 557385025 /nfs/dbraw/zinc/38/50/25/557385025.db2.gz FHUZNYPWEJFYRB-HSZRJFAPSA-N 1 1 429.564 5.019 40 0 IKABMO Cn1cc(CCC(=O)NCc2ccc([C@H]3CCC[N@H+]3C3CCCCC3)nc2)c2ccccc21 ZINC000072355725 557387435 /nfs/dbraw/zinc/38/74/35/557387435.db2.gz FSLNXRHNMZLQBR-HHHXNRCGSA-N 1 1 444.623 5.292 40 0 IKABMO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000222876420 557396622 /nfs/dbraw/zinc/39/66/22/557396622.db2.gz XTVXSRHBBHFHIC-UHFFFAOYSA-N 1 1 427.375 5.675 40 0 IKABMO COc1cc(C[N@H+](Cc2oc3ccccc3c2C)Cc2ccncc2)cc(OC)c1OC ZINC000013989721 557400175 /nfs/dbraw/zinc/40/01/75/557400175.db2.gz PSQQEXPOEDHVIX-UHFFFAOYSA-N 1 1 432.520 5.364 40 0 IKABMO COc1cc(C[N@@H+](Cc2oc3ccccc3c2C)Cc2ccncc2)cc(OC)c1OC ZINC000013989721 557400179 /nfs/dbraw/zinc/40/01/79/557400179.db2.gz PSQQEXPOEDHVIX-UHFFFAOYSA-N 1 1 432.520 5.364 40 0 IKABMO COc1ccc(CC[N@H+](Cc2ccncc2)Cc2cccc(Cl)c2Cl)cc1OC ZINC000013989511 557400285 /nfs/dbraw/zinc/40/02/85/557400285.db2.gz GZCZTBMNANILFA-UHFFFAOYSA-N 1 1 431.363 5.651 40 0 IKABMO COc1ccc(CC[N@@H+](Cc2ccncc2)Cc2cccc(Cl)c2Cl)cc1OC ZINC000013989511 557400289 /nfs/dbraw/zinc/40/02/89/557400289.db2.gz GZCZTBMNANILFA-UHFFFAOYSA-N 1 1 431.363 5.651 40 0 IKABMO C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OC[N@H+]2C1 ZINC000118915989 557405796 /nfs/dbraw/zinc/40/57/96/557405796.db2.gz GRMUAQMHJKQVFL-XQVDLDROSA-N 1 1 427.673 5.629 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975511 557410461 /nfs/dbraw/zinc/41/04/61/557410461.db2.gz XJBVJFVHENSRRF-KRWDZBQOSA-N 1 1 445.434 5.962 40 0 IKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019428 557416094 /nfs/dbraw/zinc/41/60/94/557416094.db2.gz HQPFIWZAGUNCAC-LJAQVGFWSA-N 1 1 438.615 6.005 40 0 IKABMO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009354 557418031 /nfs/dbraw/zinc/41/80/31/557418031.db2.gz TUBJNSLYVXKFRR-HXUWFJFHSA-N 1 1 434.967 5.041 40 0 IKABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000223123406 557434870 /nfs/dbraw/zinc/43/48/70/557434870.db2.gz XFEFREDSUKETQO-ILBGXUMGSA-N 1 1 425.016 5.698 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCC2 ZINC000223224951 557448238 /nfs/dbraw/zinc/44/82/38/557448238.db2.gz WTHQLBNZXMPUPQ-MRXNPFEDSA-N 1 1 431.407 5.572 40 0 IKABMO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1C ZINC000223470824 557475862 /nfs/dbraw/zinc/47/58/62/557475862.db2.gz KZZCTQOJQMHRCB-LJQANCHMSA-N 1 1 443.429 5.464 40 0 IKABMO O=C(NCCOc1cccc2ccccc21)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223509630 557480683 /nfs/dbraw/zinc/48/06/83/557480683.db2.gz ZCBWELYADUOEMP-UHFFFAOYSA-N 1 1 436.555 5.207 40 0 IKABMO CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000223656681 557498253 /nfs/dbraw/zinc/49/82/53/557498253.db2.gz HAOGGJSMBMGUJB-FQEVSTJZSA-N 1 1 429.004 5.045 40 0 IKABMO CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000223656622 557498340 /nfs/dbraw/zinc/49/83/40/557498340.db2.gz HAOGGJSMBMGUJB-HXUWFJFHSA-N 1 1 429.004 5.045 40 0 IKABMO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000223661800 557499011 /nfs/dbraw/zinc/49/90/11/557499011.db2.gz QDEWVPCJJXODDL-UHFFFAOYSA-N 1 1 446.994 5.184 40 0 IKABMO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000223793621 557514421 /nfs/dbraw/zinc/51/44/21/557514421.db2.gz XVVNSDASXNMTPC-UHFFFAOYSA-N 1 1 449.422 5.524 40 0 IKABMO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000224228316 557578007 /nfs/dbraw/zinc/57/80/07/557578007.db2.gz HRTHBYZOWMTSCH-UHFFFAOYSA-N 1 1 445.441 5.196 40 0 IKABMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540130 557618616 /nfs/dbraw/zinc/61/86/16/557618616.db2.gz PBLTWJAPARTHFW-UHFFFAOYSA-N 1 1 425.787 5.218 40 0 IKABMO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540475 557618621 /nfs/dbraw/zinc/61/86/21/557618621.db2.gz ZCDJBDFCNTYLRS-UHFFFAOYSA-N 1 1 441.786 5.054 40 0 IKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)cc1C ZINC000224541617 557618747 /nfs/dbraw/zinc/61/87/47/557618747.db2.gz UQSXYFJJVSAUFA-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000224545977 557620108 /nfs/dbraw/zinc/62/01/08/557620108.db2.gz HFLSMNOHJSJUAV-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224968811 557672525 /nfs/dbraw/zinc/67/25/25/557672525.db2.gz XQNDVPJMKSXKEL-UHFFFAOYSA-N 1 1 446.422 5.834 40 0 IKABMO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224986090 557674472 /nfs/dbraw/zinc/67/44/72/557674472.db2.gz ILTRKBSHFKLBPG-UHFFFAOYSA-N 1 1 447.391 5.363 40 0 IKABMO COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000225298447 557709902 /nfs/dbraw/zinc/70/99/02/557709902.db2.gz SWOWUTLQWHWEHE-UHFFFAOYSA-N 1 1 447.922 5.946 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCC2)cc1 ZINC000225513364 557732989 /nfs/dbraw/zinc/73/29/89/557732989.db2.gz GPLZMDPCBLORQB-HSZRJFAPSA-N 1 1 434.624 5.946 40 0 IKABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520768 557734952 /nfs/dbraw/zinc/73/49/52/557734952.db2.gz OTROXXSJYKAGSL-OAQYLSRUSA-N 1 1 438.587 5.777 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCCC2)c1 ZINC000225540352 557738915 /nfs/dbraw/zinc/73/89/15/557738915.db2.gz UZMZYMAPKLIZPQ-DEOSSOPVSA-N 1 1 448.651 6.479 40 0 IKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 ZINC000225545132 557739681 /nfs/dbraw/zinc/73/96/81/557739681.db2.gz VRGJERFLODJTND-OAQYLSRUSA-N 1 1 438.587 5.920 40 0 IKABMO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575630 557745437 /nfs/dbraw/zinc/74/54/37/557745437.db2.gz FDIREVIKHODBFJ-UHFFFAOYSA-N 1 1 425.729 5.092 40 0 IKABMO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)ccc1Br ZINC000225577790 557745917 /nfs/dbraw/zinc/74/59/17/557745917.db2.gz CEXQOYYTGVVRQD-UHFFFAOYSA-N 1 1 439.756 5.401 40 0 IKABMO O=C(Nc1ccc(Br)cc1F)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581089 557746632 /nfs/dbraw/zinc/74/66/32/557746632.db2.gz IXDZWPYLFPMJNB-UHFFFAOYSA-N 1 1 443.719 5.231 40 0 IKABMO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225584606 557747227 /nfs/dbraw/zinc/74/72/27/557747227.db2.gz WQHSLBRQLNABEG-UHFFFAOYSA-N 1 1 446.950 5.287 40 0 IKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225615866 557752811 /nfs/dbraw/zinc/75/28/11/557752811.db2.gz ZNVFSKBQPGMAOA-QFIPXVFZSA-N 1 1 432.649 5.746 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225659829 557758403 /nfs/dbraw/zinc/75/84/03/557758403.db2.gz XRRCQOMIMJVNFR-QFIPXVFZSA-N 1 1 430.633 5.788 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225664295 557759088 /nfs/dbraw/zinc/75/90/88/557759088.db2.gz NINRTMZXLKOOEL-XLGIIRLISA-N 1 1 430.633 5.501 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225696217 557765549 /nfs/dbraw/zinc/76/55/49/557765549.db2.gz OPLKKICZTYAUML-ZRZAMGCNSA-N 1 1 446.676 5.849 40 0 IKABMO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225742167 557771639 /nfs/dbraw/zinc/77/16/39/557771639.db2.gz MQFVIPBIOGRSAB-HSZRJFAPSA-N 1 1 446.676 5.993 40 0 IKABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1cc(-c2ccc(Cl)cc2)on1 ZINC000225899125 557789437 /nfs/dbraw/zinc/78/94/37/557789437.db2.gz UUNMCLRLMCDTPN-UHFFFAOYSA-N 1 1 441.318 5.429 40 0 IKABMO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 ZINC000225911112 557791062 /nfs/dbraw/zinc/79/10/62/557791062.db2.gz UHAJYWMXWKZCCQ-GOEBONIOSA-N 1 1 425.787 5.736 40 0 IKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 ZINC000225911112 557791066 /nfs/dbraw/zinc/79/10/66/557791066.db2.gz UHAJYWMXWKZCCQ-GOEBONIOSA-N 1 1 425.787 5.736 40 0 IKABMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225911761 557791330 /nfs/dbraw/zinc/79/13/30/557791330.db2.gz OQPZPTOEOASAEK-GFCCVEGCSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225911761 557791331 /nfs/dbraw/zinc/79/13/31/557791331.db2.gz OQPZPTOEOASAEK-GFCCVEGCSA-N 1 1 432.178 6.151 40 0 IKABMO Cc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000031852035 557805611 /nfs/dbraw/zinc/80/56/11/557805611.db2.gz GHKBQAVKPZYEJZ-QFIPXVFZSA-N 1 1 430.617 5.409 40 0 IKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)NC4CCCCC4)C=C3C)[nH]c21 ZINC000225399100 560043667 /nfs/dbraw/zinc/04/36/67/560043667.db2.gz FDVBJSIRMHVKJL-FUDKSRODSA-N 1 1 436.644 5.900 40 0 biogenic,in-vitro IKABMO CC1=C[C@@H](C[N@@H+](C)CCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882859 560089713 /nfs/dbraw/zinc/08/97/13/560089713.db2.gz BHVPGHMSDWLQBD-GNKBHMEESA-N 1 1 444.623 5.703 40 0 biogenic,in-vitro IKABMO C1CCC[C@@H]2CCCN3CC[C@@H](CCCCCC[C@@H]4CCC[N@H+]5CC[C@@H](CC1)O[C@@H]45)O[C@@H]23 ZINC000014885656 563015077 /nfs/dbraw/zinc/01/50/77/563015077.db2.gz PQYOPBRFUUEHRC-NIVXRMQLSA-N 1 1 446.720 6.335 40 0 IKABMO C1CCC[C@@H]2CCCN3CC[C@@H](CCCCCC[C@@H]4CCC[N@@H+]5CC[C@@H](CC1)O[C@@H]45)O[C@@H]23 ZINC000014885656 563015078 /nfs/dbraw/zinc/01/50/78/563015078.db2.gz PQYOPBRFUUEHRC-NIVXRMQLSA-N 1 1 446.720 6.335 40 0 IKABMO O=C([C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1)N1CCC(Cc2ccccc2)CC1 ZINC000006529397 568792113 /nfs/dbraw/zinc/79/21/13/568792113.db2.gz QZJSKHDTZVSGTB-MHZLTWQESA-N 1 1 426.604 5.533 40 0 IKABMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100080 568872676 /nfs/dbraw/zinc/87/26/76/568872676.db2.gz FEGWOAJLJWRZBW-MUUNZHRXSA-N 1 1 447.598 5.677 40 0 IKABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@H+]4Cc4ccc(F)cc4)CC3)oc21 ZINC000585100404 568872696 /nfs/dbraw/zinc/87/26/96/568872696.db2.gz QKXYFNAMQGVOKO-AREMUKBSSA-N 1 1 436.527 5.241 40 0 IKABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@H+]4Cc4cccc(F)c4)CC3)oc21 ZINC000585100709 568872727 /nfs/dbraw/zinc/87/27/27/568872727.db2.gz UJEZHWNAMLTANG-SANMLTNESA-N 1 1 436.527 5.241 40 0 IKABMO O=C(c1cc2ccccc2cc1O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100356 568872787 /nfs/dbraw/zinc/87/27/87/568872787.db2.gz INILVMLDFSZBHZ-HHHXNRCGSA-N 1 1 432.539 5.345 40 0 IKABMO O=C1CCCN1c1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000585262211 568873608 /nfs/dbraw/zinc/87/36/08/568873608.db2.gz ADVIUCSGLSBFBA-LBNVMWSVSA-N 1 1 439.603 5.359 40 0 IKABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](Nc3cccc(F)c3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000585262233 568873646 /nfs/dbraw/zinc/87/36/46/568873646.db2.gz NIHTWBOFFCMCQS-WNCULLNHSA-N 1 1 431.555 5.329 40 0 IKABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4c(C)nc5cc(C)ccn54)C3)n2)s1 ZINC000585262678 568873859 /nfs/dbraw/zinc/87/38/59/568873859.db2.gz SCPWBNVNAZZQKU-LJQANCHMSA-N 1 1 432.597 5.234 40 0 IKABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4c(C)nc5c(C)cccn45)C3)n2)s1 ZINC000585262647 568873874 /nfs/dbraw/zinc/87/38/74/568873874.db2.gz OHNLQDUCCABVGU-IBGZPJMESA-N 1 1 432.597 5.234 40 0 IKABMO CCc1cc([C@H](c2ccccc2Cl)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551896 569098104 /nfs/dbraw/zinc/09/81/04/569098104.db2.gz ORDCFVCSMZIXAM-QHCPKHFHSA-N 1 1 439.024 6.792 40 0 IKABMO O=C(CN(c1ccc(OC(F)F)cc1)C1=[NH+]CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000016769037 569161551 /nfs/dbraw/zinc/16/15/51/569161551.db2.gz CMCJRXOQARXXDG-UHFFFAOYSA-N 1 1 448.513 6.617 40 0 IKABMO Cc1cc(C)cc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000008480738 569219010 /nfs/dbraw/zinc/21/90/10/569219010.db2.gz AEXGPJORHBNABO-HSZRJFAPSA-N 1 1 428.576 5.005 40 0 IKABMO O=C(Nc1ccccc1Oc1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063724 569219953 /nfs/dbraw/zinc/21/99/53/569219953.db2.gz UNMJPKBTGLCNNA-UHFFFAOYSA-N 1 1 438.930 6.122 40 0 IKABMO Cc1cc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)ccc1Br ZINC000009063679 569220011 /nfs/dbraw/zinc/22/00/11/569220011.db2.gz WERSPSRXTQIBMG-UHFFFAOYSA-N 1 1 439.756 5.401 40 0 IKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019014391 569226121 /nfs/dbraw/zinc/22/61/21/569226121.db2.gz NEXFORKBUORCEF-FFMDSGJWSA-N 1 1 439.603 5.297 40 0 IKABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000019450871 569226672 /nfs/dbraw/zinc/22/66/72/569226672.db2.gz LRWDIRNFKZDFFZ-JTHBVZDNSA-N 1 1 441.641 5.190 40 0 IKABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019450632 569226708 /nfs/dbraw/zinc/22/67/08/569226708.db2.gz PFRUPJQXTWCCGR-SQJMNOBHSA-N 1 1 449.620 5.314 40 0 IKABMO CCc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019521357 569226817 /nfs/dbraw/zinc/22/68/17/569226817.db2.gz WKYZAVFTGFUEMZ-UQBPGWFLSA-N 1 1 433.596 5.506 40 0 IKABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000019577346 569227227 /nfs/dbraw/zinc/22/72/27/569227227.db2.gz BRZXNEAPIYYDAO-PXDATVDWSA-N 1 1 449.620 5.152 40 0 IKABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019702534 569232081 /nfs/dbraw/zinc/23/20/81/569232081.db2.gz HGIYYGSAMWNDFF-IBGZPJMESA-N 1 1 449.620 5.309 40 0 IKABMO CC(C)n1cc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000019702597 569232193 /nfs/dbraw/zinc/23/21/93/569232193.db2.gz MRKXAGANNUEXDG-OAHLLOKOSA-N 1 1 436.556 5.059 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000019704294 569233298 /nfs/dbraw/zinc/23/32/98/569233298.db2.gz HGVKFRBLBICYBS-QFIPXVFZSA-N 1 1 435.616 5.496 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)n[nH]2)C1 ZINC000019704294 569233299 /nfs/dbraw/zinc/23/32/99/569233299.db2.gz HGVKFRBLBICYBS-QFIPXVFZSA-N 1 1 435.616 5.496 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)n[nH]2)C1 ZINC000019704294 569233300 /nfs/dbraw/zinc/23/33/00/569233300.db2.gz HGVKFRBLBICYBS-QFIPXVFZSA-N 1 1 435.616 5.496 40 0 IKABMO CCn1nc(C)c(C[N@@H+](CC)[C@H]2CCO[C@@H](c3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000019711914 569235032 /nfs/dbraw/zinc/23/50/32/569235032.db2.gz JPKGKUJREIHRMV-NEKDWFFYSA-N 1 1 447.623 5.938 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3cccc(F)c3)CC2)sc1CCOc1ccccc1 ZINC000019738688 569235949 /nfs/dbraw/zinc/23/59/49/569235949.db2.gz CNIMHYJTYMKPTF-VWLOTQADSA-N 1 1 440.584 5.086 40 0 IKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 ZINC000020241854 569241354 /nfs/dbraw/zinc/24/13/54/569241354.db2.gz WXKDFUQNRVLLTN-UHFFFAOYSA-N 1 1 443.591 5.393 40 0 IKABMO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccccc1)[N@H+]2Cc1ccccc1 ZINC000245227100 569269413 /nfs/dbraw/zinc/26/94/13/569269413.db2.gz ABUKBCAATVFRLI-TXKDVJNZSA-N 1 1 427.544 5.441 40 0 IKABMO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCN(Cc4ccccc4)C[C@H]3c3ccccc3)c2c1 ZINC000245227398 569269433 /nfs/dbraw/zinc/26/94/33/569269433.db2.gz LFBLAPKRGFZMMM-YTMVLYRLSA-N 1 1 439.603 5.367 40 0 IKABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCC[N@H+]3C[C@H]3CCOC3)nn21 ZINC000247695710 569270022 /nfs/dbraw/zinc/27/00/22/569270022.db2.gz ZZEZIEAAAHYMJO-RHSMWYFYSA-N 1 1 436.503 5.040 40 0 IKABMO C[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@H]3[C@@H]2c2cccs2)C1 ZINC000255961446 569274194 /nfs/dbraw/zinc/27/41/94/569274194.db2.gz MZIWRSXHNVMYEY-ODFRZYNLSA-N 1 1 439.650 5.665 40 0 IKABMO C[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@H]3[C@@H]2c2cccs2)C1 ZINC000255961446 569274196 /nfs/dbraw/zinc/27/41/96/569274196.db2.gz MZIWRSXHNVMYEY-ODFRZYNLSA-N 1 1 439.650 5.665 40 0 IKABMO CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21 ZINC000257199328 569275408 /nfs/dbraw/zinc/27/54/08/569275408.db2.gz ZSAFBTBLHQRTRB-OXMFQOBNSA-N 1 1 445.651 5.576 40 0 IKABMO CCc1c(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NC)C2)c2ccccc2n1C ZINC000257202648 569275597 /nfs/dbraw/zinc/27/55/97/569275597.db2.gz AMSSARRNGSKDOJ-QGZVFWFLSA-N 1 1 431.605 5.305 40 0 IKABMO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000257201846 569275601 /nfs/dbraw/zinc/27/56/01/569275601.db2.gz AJGQIDPSXIWJID-LJQANCHMSA-N 1 1 449.520 6.259 40 0 IKABMO COCC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257208758 569275898 /nfs/dbraw/zinc/27/58/98/569275898.db2.gz BNMOQIUQAMCKOK-UHFFFAOYSA-N 1 1 442.644 5.028 40 0 IKABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257210095 569275919 /nfs/dbraw/zinc/27/59/19/569275919.db2.gz BTCVWEADEOBJML-QFIPXVFZSA-N 1 1 446.570 5.102 40 0 IKABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 ZINC000257215440 569276012 /nfs/dbraw/zinc/27/60/12/569276012.db2.gz CQCOYUIXGRFKFG-NRFANRHFSA-N 1 1 449.982 5.153 40 0 IKABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 ZINC000257215440 569276013 /nfs/dbraw/zinc/27/60/13/569276013.db2.gz CQCOYUIXGRFKFG-NRFANRHFSA-N 1 1 449.982 5.153 40 0 IKABMO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CCOCC3)c2)c1 ZINC000257218712 569276138 /nfs/dbraw/zinc/27/61/38/569276138.db2.gz DEEYZDQDISGNMV-XMMPIXPASA-N 1 1 448.651 5.300 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c2ccccc21 ZINC000257234685 569276656 /nfs/dbraw/zinc/27/66/56/569276656.db2.gz GUQPFSROKGEIQM-JOCHJYFZSA-N 1 1 429.995 6.197 40 0 IKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2ccnc3ccccc23)CC1 ZINC000257235563 569276676 /nfs/dbraw/zinc/27/66/76/569276676.db2.gz GYJDEIVMLBZYGD-QFIPXVFZSA-N 1 1 438.575 5.273 40 0 IKABMO CC(=O)N1CC[C@@H]2[C@@H](C1)CCCC[N@H+]2Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000257237652 569276771 /nfs/dbraw/zinc/27/67/71/569276771.db2.gz HHMKTIZQKDXZFR-ZJSXRUAMSA-N 1 1 426.988 5.142 40 0 IKABMO O=C(c1cccs1)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)C[N@H+]2Cc1ccccc1 ZINC000257241355 569276922 /nfs/dbraw/zinc/27/69/22/569276922.db2.gz HXTQQUKIPOJMOB-ONTIZHBOSA-N 1 1 438.543 5.157 40 0 IKABMO Cc1c(C[N@H+]2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)oc2ccc(C)cc12 ZINC000257241912 569276926 /nfs/dbraw/zinc/27/69/26/569276926.db2.gz IAFKJXIADCKNDQ-QPPBQGQZSA-N 1 1 447.623 6.093 40 0 IKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cccc(F)c1 ZINC000257241565 569276939 /nfs/dbraw/zinc/27/69/39/569276939.db2.gz HYOIWZHZYXXZEC-WHSBFGAESA-N 1 1 431.555 5.110 40 0 IKABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(Cl)c2)[C@@H]1O ZINC000257246555 569277026 /nfs/dbraw/zinc/27/70/26/569277026.db2.gz IURBBBGLPNYGHY-DNRSQYFGSA-N 1 1 437.967 5.925 40 0 IKABMO Cc1ccc(F)c(NC(=O)C(C)(C)[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1 ZINC000257249052 569277037 /nfs/dbraw/zinc/27/70/37/569277037.db2.gz JGMQLFOBSQWBNS-UHFFFAOYSA-N 1 1 447.558 5.264 40 0 IKABMO CCn1cc(C(=O)C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)c2ccccc21 ZINC000257255649 569277325 /nfs/dbraw/zinc/27/73/25/569277325.db2.gz KIIGLBMUUJVLGS-UHFFFAOYSA-N 1 1 439.563 5.257 40 0 IKABMO COc1ccc2c(C[N@H+]3CCC[C@@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1 ZINC000257269053 569277532 /nfs/dbraw/zinc/27/75/32/569277532.db2.gz MOJUJYWNUJEASP-JOCHJYFZSA-N 1 1 443.566 5.691 40 0 IKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](Cc3cccc4cccnc43)CC2)c1 ZINC000257278776 569277775 /nfs/dbraw/zinc/27/77/75/569277775.db2.gz ODQLFLLVYPOQBX-QFIPXVFZSA-N 1 1 438.575 5.273 40 0 IKABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)nc2)C1 ZINC000257280119 569277810 /nfs/dbraw/zinc/27/78/10/569277810.db2.gz OJNFSJCVKPWCTD-FQEVSTJZSA-N 1 1 442.588 5.016 40 0 IKABMO CC(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257282692 569277945 /nfs/dbraw/zinc/27/79/45/569277945.db2.gz OUVMWSQKYRUXQB-GCJKJVERSA-N 1 1 434.411 5.647 40 0 IKABMO COCc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)ccc1OC(C)C ZINC000257291552 569278222 /nfs/dbraw/zinc/27/82/22/569278222.db2.gz QHMXNZLCYDDGMS-HHHXNRCGSA-N 1 1 448.582 6.082 40 0 IKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+](Cc4cn(C)c5ccc(F)cc45)C3)nc2)c1 ZINC000257296208 569278341 /nfs/dbraw/zinc/27/83/41/569278341.db2.gz RBSBXPPBZSSJIS-QFIPXVFZSA-N 1 1 443.566 5.691 40 0 IKABMO O=C1CCC[C@]2(C[N@H+](Cc3cccc(-c4ccccc4F)c3)C[C@H]2c2ccccc2F)N1 ZINC000257295309 569278356 /nfs/dbraw/zinc/27/83/56/569278356.db2.gz QXUZUYHECOKGAQ-WNCULLNHSA-N 1 1 432.514 5.270 40 0 IKABMO COc1cccc(CNc2cc(-c3cnc(C)nc3[C@@H]3CCC[N@H+](C(C)C)C3)ccn2)c1 ZINC000257298439 569278476 /nfs/dbraw/zinc/27/84/76/569278476.db2.gz RLPMILJDCVIRAO-JOCHJYFZSA-N 1 1 431.584 5.056 40 0 IKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc32)CC1 ZINC000257306672 569278720 /nfs/dbraw/zinc/27/87/20/569278720.db2.gz SVHQWQBRSQATTE-JOCHJYFZSA-N 1 1 438.575 5.273 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000257316126 569278989 /nfs/dbraw/zinc/27/89/89/569278989.db2.gz VEFQXRJPEHGJOG-UGKGYDQZSA-N 1 1 448.438 6.037 40 0 IKABMO COc1ccc(-c2nccc([C@@H]3CCC[N@H+]3Cc3cccc(Oc4ncccn4)c3)n2)cc1 ZINC000257314878 569279005 /nfs/dbraw/zinc/27/90/05/569279005.db2.gz UYXZXVQCZDWZTE-DEOSSOPVSA-N 1 1 439.519 5.072 40 0 IKABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322223 569279227 /nfs/dbraw/zinc/27/92/27/569279227.db2.gz WFCJOGZGQRLQQN-DENIHFKCSA-N 1 1 431.983 5.522 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c(C)n1 ZINC000257324003 569279239 /nfs/dbraw/zinc/27/92/39/569279239.db2.gz WMTSZFUIGKJVSD-NRFANRHFSA-N 1 1 442.529 5.596 40 0 IKABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000257339227 569279657 /nfs/dbraw/zinc/27/96/57/569279657.db2.gz ZAUHRCYZGPMROK-MHZLTWQESA-N 1 1 440.566 5.763 40 0 IKABMO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257340570 569279809 /nfs/dbraw/zinc/27/98/09/569279809.db2.gz ZGSNDKLNLIDRLV-QGZVFWFLSA-N 1 1 449.595 5.660 40 0 IKABMO CC(C)n1cc(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000257339599 569279831 /nfs/dbraw/zinc/27/98/31/569279831.db2.gz ZCKRLWNVEXXKTD-LJQANCHMSA-N 1 1 445.632 6.128 40 0 IKABMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1 ZINC000257341797 569279852 /nfs/dbraw/zinc/27/98/52/569279852.db2.gz ZMAFOSQCRMBDQG-UHFFFAOYSA-N 1 1 447.558 5.301 40 0 IKABMO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257344542 569279976 /nfs/dbraw/zinc/27/99/76/569279976.db2.gz ZXSOYQJKBVJANC-OAQYLSRUSA-N 1 1 431.530 6.120 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCC2)c1 ZINC000260818159 569281800 /nfs/dbraw/zinc/28/18/00/569281800.db2.gz WAJXKRLOBJUVNC-QHCPKHFHSA-N 1 1 434.624 5.946 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812447 569281804 /nfs/dbraw/zinc/28/18/04/569281804.db2.gz BQIPUKWLPRFBLH-JOCHJYFZSA-N 1 1 432.649 5.746 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCCC2)cc1 ZINC000260812490 569281807 /nfs/dbraw/zinc/28/18/07/569281807.db2.gz DCVSNWRUHOQRMO-QHCPKHFHSA-N 1 1 434.624 5.946 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260814762 569281874 /nfs/dbraw/zinc/28/18/74/569281874.db2.gz NINRTMZXLKOOEL-TVZXLZGTSA-N 1 1 430.633 5.501 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@H]4C)cc3)CCCCC2)cc1 ZINC000260812560 569281878 /nfs/dbraw/zinc/28/18/78/569281878.db2.gz GGYAFOILQCWBMK-HSZRJFAPSA-N 1 1 434.624 6.089 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260818209 569281899 /nfs/dbraw/zinc/28/18/99/569281899.db2.gz XUAOYKPJHRETSU-VVZHRXSXSA-N 1 1 430.633 5.644 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260812528 569281919 /nfs/dbraw/zinc/28/19/19/569281919.db2.gz FJHKPZGHJRCJRD-QFIPXVFZSA-N 1 1 430.633 5.646 40 0 IKABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260949467 569282050 /nfs/dbraw/zinc/28/20/50/569282050.db2.gz XFEFREDSUKETQO-ZCYQVOJMSA-N 1 1 425.016 5.698 40 0 IKABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)CC2 ZINC000329069342 569285753 /nfs/dbraw/zinc/28/57/53/569285753.db2.gz YVZZAZQSRKCYCY-UHFFFAOYSA-N 1 1 440.469 5.427 40 0 IKABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)CC2 ZINC000329069342 569285755 /nfs/dbraw/zinc/28/57/55/569285755.db2.gz YVZZAZQSRKCYCY-UHFFFAOYSA-N 1 1 440.469 5.427 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223225140 193954348 /nfs/dbraw/zinc/95/43/48/193954348.db2.gz DSQLIPFHIXXJON-KRWDZBQOSA-N 1 1 441.413 5.027 40 0 IKABMO CC(=O)Nc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185744 519715882 /nfs/dbraw/zinc/71/58/82/519715882.db2.gz RGGKQYBOIJADEI-JOCHJYFZSA-N 1 1 433.508 5.146 40 0 IKABMO CCN(CC)CC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022075750 520686332 /nfs/dbraw/zinc/68/63/32/520686332.db2.gz HWHKVPYBHQVMPA-UHFFFAOYSA-N 1 1 445.818 5.666 40 0 IKABMO CCN(CC)CC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022075236 520686722 /nfs/dbraw/zinc/68/67/22/520686722.db2.gz PQFPFMKBIZMSSR-UHFFFAOYSA-N 1 1 431.407 6.157 40 0 IKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2Cl)CC1 ZINC000016681527 521699562 /nfs/dbraw/zinc/69/95/62/521699562.db2.gz XZZFCBADKQMERD-UHFFFAOYSA-N 1 1 442.774 5.050 40 0 IKABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020459753 523171089 /nfs/dbraw/zinc/17/10/89/523171089.db2.gz ARXZWIDUPRWYQG-JOCHJYFZSA-N 1 1 426.626 5.242 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)C1 ZINC000020452501 524093388 /nfs/dbraw/zinc/09/33/88/524093388.db2.gz HRUBQKIQWDUSHV-NRFANRHFSA-N 1 1 433.596 5.187 40 0 IKABMO C[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000035930592 525674187 /nfs/dbraw/zinc/67/41/87/525674187.db2.gz BPODYCZWRPAIBO-HYPLZALKSA-N 1 1 437.627 7.295 40 0 IKABMO c1ccc(C(c2ccccc2)N2CCC[N@@H+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022027834 526460814 /nfs/dbraw/zinc/46/08/14/526460814.db2.gz AOZHJAOYTIGMEA-UHFFFAOYSA-N 1 1 432.611 6.573 40 0 IKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000012877190 526730183 /nfs/dbraw/zinc/73/01/83/526730183.db2.gz SLDVEIXWONUKIY-UHFFFAOYSA-N 1 1 448.636 5.495 40 0 IKABMO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000012640090 527163382 /nfs/dbraw/zinc/16/33/82/527163382.db2.gz RVTHBHMBSXOATL-UHFFFAOYSA-N 1 1 440.547 5.413 40 0 IKABMO FC(F)(F)c1ccc2c(c1)N(CCC[NH+]1CCN(C3CC3)CC1)c1ccccc1S2 ZINC000022463171 527684438 /nfs/dbraw/zinc/68/44/38/527684438.db2.gz NPYDSZQCCSLZPP-UHFFFAOYSA-N 1 1 433.543 5.478 40 0 in-man IKABMO O=C(OC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000001688529 555709606 /nfs/dbraw/zinc/70/96/06/555709606.db2.gz ARUBUBJNDDZSTJ-ZVBBVAIHSA-N 1 1 441.571 5.051 40 0 IKABMO N[C@H](CCCCCCCCCCCC[C@@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000005759564 556064936 /nfs/dbraw/zinc/06/49/36/556064936.db2.gz YITBJFFBJDRKLW-CLJLJLNGSA-N 1 1 436.640 6.088 40 0 IKABMO COc1ccc([C@@H](C[N@@H+](C)C(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000008612742 556192006 /nfs/dbraw/zinc/19/20/06/556192006.db2.gz VNXGWXHCHMZQTK-AREMUKBSSA-N 1 1 447.575 5.460 40 0 IKABMO C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013709907 556283871 /nfs/dbraw/zinc/28/38/71/556283871.db2.gz CSYPDFRIKWOINO-HXUWFJFHSA-N 1 1 434.967 5.041 40 0 IKABMO CC[C@H](Oc1ccccc1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009336 556354212 /nfs/dbraw/zinc/35/42/12/556354212.db2.gz ZCEBEZXMHDSBRJ-VWLOTQADSA-N 1 1 428.576 5.086 40 0 IKABMO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014022917 556357071 /nfs/dbraw/zinc/35/70/71/556357071.db2.gz OCGLDTBMLCEDND-AREMUKBSSA-N 1 1 428.576 5.086 40 0 IKABMO CCOCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cc1 ZINC000012088154 556401125 /nfs/dbraw/zinc/40/11/25/556401125.db2.gz RREQPILJXPAOED-OAQYLSRUSA-N 1 1 434.584 5.101 40 0 IKABMO CCOCc1ccc(C(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cc1 ZINC000012088155 556401191 /nfs/dbraw/zinc/40/11/91/556401191.db2.gz RREQPILJXPAOED-NRFANRHFSA-N 1 1 434.584 5.101 40 0 IKABMO Cc1ccccc1CSCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039763684 556436615 /nfs/dbraw/zinc/43/66/15/556436615.db2.gz WZADXPBKCIFWPL-UHFFFAOYSA-N 1 1 435.008 5.049 40 0 IKABMO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039763868 556436711 /nfs/dbraw/zinc/43/67/11/556436711.db2.gz DUFWYUBLZODGDT-UHFFFAOYSA-N 1 1 425.729 5.092 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039767955 556437321 /nfs/dbraw/zinc/43/73/21/556437321.db2.gz UYOOJZYPCAQAFV-KRWDZBQOSA-N 1 1 430.995 5.866 40 0 IKABMO Cc1cc(I)ccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000030751280 556502932 /nfs/dbraw/zinc/50/29/32/556502932.db2.gz DOAJGDQJIPQZCL-OAHLLOKOSA-N 1 1 448.348 5.084 40 0 IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000030850688 556508727 /nfs/dbraw/zinc/50/87/27/556508727.db2.gz ZUUFHXRWOCYZDT-UHFFFAOYSA-N 1 1 447.991 6.056 40 0 IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000030861022 556511097 /nfs/dbraw/zinc/51/10/97/556511097.db2.gz GGBARURKEPAHJJ-UHFFFAOYSA-N 1 1 447.991 6.056 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000030938722 556515468 /nfs/dbraw/zinc/51/54/68/556515468.db2.gz MSJIAOFWUFPSEO-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030937886 556515503 /nfs/dbraw/zinc/51/55/03/556515503.db2.gz LBGAWUXGEQAOII-HXUWFJFHSA-N 1 1 437.008 6.342 40 0 IKABMO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030943328 556516537 /nfs/dbraw/zinc/51/65/37/556516537.db2.gz POMHTLROKNOQMD-FQEVSTJZSA-N 1 1 428.960 5.148 40 0 IKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030943148 556516637 /nfs/dbraw/zinc/51/66/37/556516637.db2.gz YIDYTNLZSCERGY-NRFANRHFSA-N 1 1 432.951 5.422 40 0 IKABMO CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000030945293 556516965 /nfs/dbraw/zinc/51/69/65/556516965.db2.gz NJVMFLNXVFSBEC-HXUWFJFHSA-N 1 1 429.539 5.804 40 0 IKABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195655 556590160 /nfs/dbraw/zinc/59/01/60/556590160.db2.gz HRWBWVNBEYMJDP-UHFFFAOYSA-N 1 1 437.754 5.919 40 0 IKABMO Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000016311901 556599798 /nfs/dbraw/zinc/59/97/98/556599798.db2.gz IOHRRUFKGABSJZ-SANMLTNESA-N 1 1 432.995 6.093 40 0 IKABMO CCOC(=O)c1c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)sc2c1CCCC2 ZINC000038772343 556619315 /nfs/dbraw/zinc/61/93/15/556619315.db2.gz AEEVFWDZJVUBOJ-QGZVFWFLSA-N 1 1 440.609 5.288 40 0 IKABMO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833937 556622194 /nfs/dbraw/zinc/62/21/94/556622194.db2.gz BIUBGRCRLFYZCX-CYBMUJFWSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833937 556622197 /nfs/dbraw/zinc/62/21/97/556622197.db2.gz BIUBGRCRLFYZCX-CYBMUJFWSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833933 556622219 /nfs/dbraw/zinc/62/22/19/556622219.db2.gz CIHXZHHIVKVUBJ-CQSZACIVSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833933 556622222 /nfs/dbraw/zinc/62/22/22/556622222.db2.gz CIHXZHHIVKVUBJ-CQSZACIVSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038834905 556622761 /nfs/dbraw/zinc/62/27/61/556622761.db2.gz FMUSLHCOGXGBPI-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834598 556622782 /nfs/dbraw/zinc/62/27/82/556622782.db2.gz UEKRADXYHLNGEW-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834904 556622793 /nfs/dbraw/zinc/62/27/93/556622793.db2.gz WOHCAZMQROVPCL-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834716 556622796 /nfs/dbraw/zinc/62/27/96/556622796.db2.gz ULAGYQFSEKWLAU-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834703 556622846 /nfs/dbraw/zinc/62/28/46/556622846.db2.gz BDQNHVRDWUVXHN-CYBMUJFWSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834703 556622847 /nfs/dbraw/zinc/62/28/47/556622847.db2.gz BDQNHVRDWUVXHN-CYBMUJFWSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038835526 556623011 /nfs/dbraw/zinc/62/30/11/556623011.db2.gz ZRTUBYSLLJGCAU-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038835010 556623018 /nfs/dbraw/zinc/62/30/18/556623018.db2.gz WSJIWEBSWOQVJR-ZDUSSCGKSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038835010 556623020 /nfs/dbraw/zinc/62/30/20/556623020.db2.gz WSJIWEBSWOQVJR-ZDUSSCGKSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038837064 556623415 /nfs/dbraw/zinc/62/34/15/556623415.db2.gz NMEYQTHTAOHGDX-UHFFFAOYSA-N 1 1 437.436 5.255 40 0 IKABMO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038837067 556623420 /nfs/dbraw/zinc/62/34/20/556623420.db2.gz RNKQPIJAFYLEDV-UHFFFAOYSA-N 1 1 437.436 5.255 40 0 IKABMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038850546 556624377 /nfs/dbraw/zinc/62/43/77/556624377.db2.gz BZCTXVUBCYKPKD-AWEZNQCLSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038850548 556624399 /nfs/dbraw/zinc/62/43/99/556624399.db2.gz BZCTXVUBCYKPKD-CQSZACIVSA-N 1 1 431.285 5.863 40 0 IKABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1Cl ZINC000038850235 556624510 /nfs/dbraw/zinc/62/45/10/556624510.db2.gz QJYRICJEQFJFPY-UHFFFAOYSA-N 1 1 427.759 5.506 40 0 IKABMO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038852838 556624989 /nfs/dbraw/zinc/62/49/89/556624989.db2.gz HIWUKYDCFAGJEH-UHFFFAOYSA-N 1 1 429.457 5.388 40 0 IKABMO O=C(Nc1ccc(CSc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038851456 556625058 /nfs/dbraw/zinc/62/50/58/556625058.db2.gz XLRUHJRCYFGDHK-QFIPXVFZSA-N 1 1 434.580 5.969 40 0 IKABMO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038860425 556626445 /nfs/dbraw/zinc/62/64/45/556626445.db2.gz PKMTWYUQKOLVAP-UHFFFAOYSA-N 1 1 441.291 5.319 40 0 IKABMO CCCCN(CCCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016712879 556630514 /nfs/dbraw/zinc/63/05/14/556630514.db2.gz GNHBOSIJXVNEGT-UHFFFAOYSA-N 1 1 447.026 7.456 40 0 IKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(C)Cc2ccccc2)cc1Cl ZINC000016768305 556640182 /nfs/dbraw/zinc/64/01/82/556640182.db2.gz IQBXFEMGRCQOSM-UHFFFAOYSA-N 1 1 438.962 6.686 40 0 IKABMO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044852573 556670648 /nfs/dbraw/zinc/67/06/48/556670648.db2.gz RCUKBULYLVQKDD-KRWDZBQOSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044852885 556671051 /nfs/dbraw/zinc/67/10/51/556671051.db2.gz GCPYLSBXLKFUIP-KRWDZBQOSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044852883 556671074 /nfs/dbraw/zinc/67/10/74/556671074.db2.gz GCPYLSBXLKFUIP-QGZVFWFLSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044852877 556671081 /nfs/dbraw/zinc/67/10/81/556671081.db2.gz ACYRJLSYCCFQJS-KRWDZBQOSA-N 1 1 435.395 5.098 40 0 IKABMO COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044854574 556671269 /nfs/dbraw/zinc/67/12/69/556671269.db2.gz PWWHHCKZKRKINC-UHFFFAOYSA-N 1 1 447.922 5.946 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856520 556672191 /nfs/dbraw/zinc/67/21/91/556672191.db2.gz RVZGHQNNFZYGHR-HSZRJFAPSA-N 1 1 433.423 6.090 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856515 556672280 /nfs/dbraw/zinc/67/22/80/556672280.db2.gz NUUOEDHJRNWRCX-QHCPKHFHSA-N 1 1 433.423 6.090 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856519 556672286 /nfs/dbraw/zinc/67/22/86/556672286.db2.gz RVZGHQNNFZYGHR-QHCPKHFHSA-N 1 1 433.423 6.090 40 0 IKABMO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044882616 556674392 /nfs/dbraw/zinc/67/43/92/556674392.db2.gz MBKHSINGXGHLKD-UHFFFAOYSA-N 1 1 435.395 5.309 40 0 IKABMO CC[NH+](CC)c1ccc(N[C@@H](C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000017289284 556674498 /nfs/dbraw/zinc/67/44/98/556674498.db2.gz VJAFYJHWGYLCMM-HSZRJFAPSA-N 1 1 427.375 6.876 40 0 IKABMO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044905848 556679819 /nfs/dbraw/zinc/67/98/19/556679819.db2.gz PRDRFCYUKVZESM-SFHVURJKSA-N 1 1 429.402 5.155 40 0 IKABMO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044906385 556680065 /nfs/dbraw/zinc/68/00/65/556680065.db2.gz IQSRELWJTARSQJ-UHFFFAOYSA-N 1 1 439.814 5.608 40 0 IKABMO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044917229 556681631 /nfs/dbraw/zinc/68/16/31/556681631.db2.gz JPBQZCHFJQLYEF-UHFFFAOYSA-N 1 1 430.951 5.651 40 0 IKABMO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044916254 556681643 /nfs/dbraw/zinc/68/16/43/556681643.db2.gz IEXKPGQSYYSASE-UHFFFAOYSA-N 1 1 442.603 5.395 40 0 IKABMO CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000044916182 556681659 /nfs/dbraw/zinc/68/16/59/556681659.db2.gz FDSITPOUCIBXOK-UHFFFAOYSA-N 1 1 446.994 5.227 40 0 IKABMO CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044916364 556681665 /nfs/dbraw/zinc/68/16/65/556681665.db2.gz WGRBZNSFEIIPEG-QFIPXVFZSA-N 1 1 429.004 5.088 40 0 IKABMO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c2ccccc2O1 ZINC000044918387 556681892 /nfs/dbraw/zinc/68/18/92/556681892.db2.gz FVWKAQJTYHSRNA-OAQYLSRUSA-N 1 1 447.406 5.624 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)cc1 ZINC000044936321 556682606 /nfs/dbraw/zinc/68/26/06/556682606.db2.gz FHKFVPZKNLDARY-QFIPXVFZSA-N 1 1 435.395 5.482 40 0 IKABMO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044937314 556682939 /nfs/dbraw/zinc/68/29/39/556682939.db2.gz NDMNYVOHCLUVSW-DEOSSOPVSA-N 1 1 446.994 5.603 40 0 IKABMO COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044937096 556683036 /nfs/dbraw/zinc/68/30/36/556683036.db2.gz RSIAANWTGKPVES-QPPBQGQZSA-N 1 1 429.004 5.464 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081853 556696722 /nfs/dbraw/zinc/69/67/22/556696722.db2.gz MPCQDPARAQSAHG-UWJYYQICSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081853 556696726 /nfs/dbraw/zinc/69/67/26/556696726.db2.gz MPCQDPARAQSAHG-UWJYYQICSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000019081963 556696786 /nfs/dbraw/zinc/69/67/86/556696786.db2.gz QSUNDQZKZQFYRI-GJZUVCINSA-N 1 1 449.639 5.519 40 0 IKABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000019081839 556696874 /nfs/dbraw/zinc/69/68/74/556696874.db2.gz NPLWUADKUOXYNA-ATIYNZHBSA-N 1 1 449.639 5.085 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019082056 556696970 /nfs/dbraw/zinc/69/69/70/556696970.db2.gz PEARAEPDLIUVNL-NRFANRHFSA-N 1 1 434.411 5.504 40 0 IKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019120473 556700849 /nfs/dbraw/zinc/70/08/49/556700849.db2.gz ABAMZDGAFDKDBE-WMZHIEFXSA-N 1 1 430.379 6.098 40 0 IKABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019236830 556721508 /nfs/dbraw/zinc/72/15/08/556721508.db2.gz GRWXCKRXPOPWKB-NLFFAJNJSA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019236830 556721512 /nfs/dbraw/zinc/72/15/12/556721512.db2.gz GRWXCKRXPOPWKB-NLFFAJNJSA-N 1 1 435.518 5.052 40 0 IKABMO Cc1cnccc1-c1cnc(C)nc1[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000019239782 556725617 /nfs/dbraw/zinc/72/56/17/556725617.db2.gz GGHQNAIYWFXSCD-QFIPXVFZSA-N 1 1 427.379 6.189 40 0 IKABMO Cc1cnccc1-c1cnc(C)nc1[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000019239782 556725620 /nfs/dbraw/zinc/72/56/20/556725620.db2.gz GGHQNAIYWFXSCD-QFIPXVFZSA-N 1 1 427.379 6.189 40 0 IKABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3F)CC[C@@H]21 ZINC000019292751 556732118 /nfs/dbraw/zinc/73/21/18/556732118.db2.gz ARDBDNZWUFBMSI-ONTIZHBOSA-N 1 1 430.564 5.033 40 0 IKABMO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000019294086 556733724 /nfs/dbraw/zinc/73/37/24/556733724.db2.gz ZNKGKJFHYMBIOU-NRFANRHFSA-N 1 1 440.526 5.196 40 0 IKABMO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000019294080 556733823 /nfs/dbraw/zinc/73/38/23/556733823.db2.gz OGAWKTOIIYBTRF-OAQYLSRUSA-N 1 1 440.526 5.196 40 0 IKABMO Fc1ccc(-c2cnc3c(c2)[C@@H]([NH2+]C2CCCC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019336722 556738484 /nfs/dbraw/zinc/73/84/84/556738484.db2.gz SAAOQJTYEQZVRN-QFIPXVFZSA-N 1 1 444.539 5.085 40 0 IKABMO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000019370896 556748439 /nfs/dbraw/zinc/74/84/39/556748439.db2.gz ISODBYSWWKPDCB-YIXXDRMTSA-N 1 1 448.010 5.437 40 0 IKABMO COc1cc2c(cc1OC)C[N@H+](Cc1cc3sccc3n1Cc1ccccc1F)CC2 ZINC000057719575 556748787 /nfs/dbraw/zinc/74/87/87/556748787.db2.gz SAHVSXRHDGTDAB-UHFFFAOYSA-N 1 1 436.552 5.466 40 0 IKABMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3sccc3n1Cc1ccccc1F)CC2 ZINC000057719575 556748789 /nfs/dbraw/zinc/74/87/89/556748789.db2.gz SAHVSXRHDGTDAB-UHFFFAOYSA-N 1 1 436.552 5.466 40 0 IKABMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)N2CC[NH+](C)CC2)c1C ZINC000023292197 556752133 /nfs/dbraw/zinc/75/21/33/556752133.db2.gz XZMSLLDZORVNNV-QHCPKHFHSA-N 1 1 437.584 5.093 40 0 IKABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019400700 556753330 /nfs/dbraw/zinc/75/33/30/556753330.db2.gz UPNOWJXQNJEUJY-NBGIEHNGSA-N 1 1 427.539 5.010 40 0 IKABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019400800 556753393 /nfs/dbraw/zinc/75/33/93/556753393.db2.gz RWGULEFLJXTIRU-RUZDIDTESA-N 1 1 427.539 5.010 40 0 IKABMO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4cnc(C(C)C)nc4)C3)cc2n1 ZINC000019452292 556763118 /nfs/dbraw/zinc/76/31/18/556763118.db2.gz LYTMMXOTUNAYTN-QGZVFWFLSA-N 1 1 446.521 5.165 40 0 IKABMO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+](Cc4cnc(C(C)C)nc4)C3)cc2n1 ZINC000019452294 556763199 /nfs/dbraw/zinc/76/31/99/556763199.db2.gz LYTMMXOTUNAYTN-KRWDZBQOSA-N 1 1 446.521 5.165 40 0 IKABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)ccc1OC ZINC000019531966 556792388 /nfs/dbraw/zinc/79/23/88/556792388.db2.gz DWZPCKDIPKAXEQ-MRXNPFEDSA-N 1 1 449.473 5.337 40 0 IKABMO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cc1O ZINC000019559734 556801580 /nfs/dbraw/zinc/80/15/80/556801580.db2.gz BPWSJGYTLHQKOX-HXUWFJFHSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cc1O ZINC000019559734 556801583 /nfs/dbraw/zinc/80/15/83/556801583.db2.gz BPWSJGYTLHQKOX-HXUWFJFHSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccc(O)c(OC)c3)no2)cc1OC ZINC000019561508 556802805 /nfs/dbraw/zinc/80/28/05/556802805.db2.gz JLRZKFNKGWEFAF-HXUWFJFHSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccc(O)c(OC)c3)no2)cc1OC ZINC000019561508 556802811 /nfs/dbraw/zinc/80/28/11/556802811.db2.gz JLRZKFNKGWEFAF-HXUWFJFHSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)cc1Cn1nc(C)cc1C ZINC000019574395 556814493 /nfs/dbraw/zinc/81/44/93/556814493.db2.gz FTAZAJFLGLIFGB-UHFFFAOYSA-N 1 1 432.593 5.216 40 0 IKABMO COc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cc1Cn1nc(C)cc1C ZINC000019574395 556814496 /nfs/dbraw/zinc/81/44/96/556814496.db2.gz FTAZAJFLGLIFGB-UHFFFAOYSA-N 1 1 432.593 5.216 40 0 IKABMO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008573257 556842086 /nfs/dbraw/zinc/84/20/86/556842086.db2.gz BYQJGFLOOFXNPR-KMRXNPHXSA-N 1 1 430.592 6.228 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c(C)n1 ZINC000019688346 556843116 /nfs/dbraw/zinc/84/31/16/556843116.db2.gz KZKWDZNWFQYCGP-HSZRJFAPSA-N 1 1 428.502 5.553 40 0 IKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+](Cc4c(C)nn(C(C)C)c4C)C3)nc2)c1 ZINC000019690229 556845633 /nfs/dbraw/zinc/84/56/33/556845633.db2.gz GEOHUZFSKXDHOM-XMMPIXPASA-N 1 1 432.612 5.455 40 0 IKABMO COCCn1c(C)c(C[N@H+]2CCC[C@H]2c2cc(-c3cn[nH]c3)cc(C)n2)c2ccccc21 ZINC000019690840 556846581 /nfs/dbraw/zinc/84/65/81/556846581.db2.gz HBJSYBFHZATJEJ-SANMLTNESA-N 1 1 429.568 5.027 40 0 IKABMO COCCn1c(C)c(C[N@H+]2CCC[C@@H]2c2cc(-c3cn[nH]c3)cc(C)n2)c2ccccc21 ZINC000019690839 556846633 /nfs/dbraw/zinc/84/66/33/556846633.db2.gz HBJSYBFHZATJEJ-AREMUKBSSA-N 1 1 429.568 5.027 40 0 IKABMO O[C@H](C[N@@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1)c1ccccc1 ZINC000068605824 556849015 /nfs/dbraw/zinc/84/90/15/556849015.db2.gz NBRSKIIOJFTWJD-WJOKGBTCSA-N 1 1 446.594 6.425 40 0 IKABMO Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000008892275 556851109 /nfs/dbraw/zinc/85/11/09/556851109.db2.gz HLYDHNXXNZTLMP-PKTZIBPZSA-N 1 1 447.325 5.798 40 0 IKABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019696401 556853433 /nfs/dbraw/zinc/85/34/33/556853433.db2.gz XVBCYNCIZFGILF-QHCPKHFHSA-N 1 1 436.575 5.263 40 0 IKABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccnc4ccccc34)[nH]n2)cc1F ZINC000019703711 556862199 /nfs/dbraw/zinc/86/21/99/556862199.db2.gz FMTDBZYWPPVGMA-VWLOTQADSA-N 1 1 434.490 5.195 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019761756 556905238 /nfs/dbraw/zinc/90/52/38/556905238.db2.gz NZTQROPGBPFJIT-NRFANRHFSA-N 1 1 447.627 5.004 40 0 IKABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000072330430 556905508 /nfs/dbraw/zinc/90/55/08/556905508.db2.gz BRZXNEAPIYYDAO-OFVILXPXSA-N 1 1 449.620 5.152 40 0 IKABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000072330453 556905826 /nfs/dbraw/zinc/90/58/26/556905826.db2.gz UPNOWJXQNJEUJY-CPJSRVTESA-N 1 1 427.539 5.010 40 0 IKABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000072330497 556906164 /nfs/dbraw/zinc/90/61/64/556906164.db2.gz OMCGVHHFEZRBJQ-NVQXNPDNSA-N 1 1 443.591 5.090 40 0 IKABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000072330554 556906685 /nfs/dbraw/zinc/90/66/85/556906685.db2.gz ISODBYSWWKPDCB-KCWPFWIISA-N 1 1 448.010 5.437 40 0 IKABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)ncc1C(=O)Nc1ccccc1 ZINC000072346278 556917727 /nfs/dbraw/zinc/91/77/27/556917727.db2.gz CFSKRTYIOUYDIY-XMMPIXPASA-N 1 1 425.536 5.246 40 0 IKABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)ncc1C(=O)Nc1ccccc1 ZINC000072346278 556917731 /nfs/dbraw/zinc/91/77/31/556917731.db2.gz CFSKRTYIOUYDIY-XMMPIXPASA-N 1 1 425.536 5.246 40 0 IKABMO Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)cc1C ZINC000019819719 556923083 /nfs/dbraw/zinc/92/30/83/556923083.db2.gz VSTSZJDAYYCROZ-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)cc1C ZINC000019819719 556923087 /nfs/dbraw/zinc/92/30/87/556923087.db2.gz VSTSZJDAYYCROZ-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC(C)C)c2)C1 ZINC000072352303 556923798 /nfs/dbraw/zinc/92/37/98/556923798.db2.gz ATWYGXQTWXFZGM-GOSISDBHSA-N 1 1 438.593 5.046 40 0 IKABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC(C)C)c2)C1 ZINC000072352302 556923921 /nfs/dbraw/zinc/92/39/21/556923921.db2.gz ATWYGXQTWXFZGM-SFHVURJKSA-N 1 1 438.593 5.046 40 0 IKABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000072352488 556924474 /nfs/dbraw/zinc/92/44/74/556924474.db2.gz KIYUKUXXJUPXHF-KRWDZBQOSA-N 1 1 432.593 5.181 40 0 IKABMO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)n1 ZINC000072353669 556927603 /nfs/dbraw/zinc/92/76/03/556927603.db2.gz YWKNROIRKRMSAS-HXUWFJFHSA-N 1 1 426.568 5.157 40 0 IKABMO CCOc1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019842711 556929817 /nfs/dbraw/zinc/92/98/17/556929817.db2.gz FKTMKGRUWZXCMZ-UHFFFAOYSA-N 1 1 446.616 5.177 40 0 IKABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000072354591 556929867 /nfs/dbraw/zinc/92/98/67/556929867.db2.gz KMPZGCHNYVPICN-FQEVSTJZSA-N 1 1 428.458 5.090 40 0 IKABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358229 556931783 /nfs/dbraw/zinc/93/17/83/556931783.db2.gz IJHJGWNWYKTLTG-QFIPXVFZSA-N 1 1 426.486 5.465 40 0 IKABMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H]3Cc3c4ccccc4sc3C(N)=O)c2)n1 ZINC000072370307 556934399 /nfs/dbraw/zinc/93/43/99/556934399.db2.gz OJBNWHNIDVRPTC-HXUWFJFHSA-N 1 1 444.604 5.010 40 0 IKABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1cnc(C(C)C)nc1 ZINC000072370688 556935957 /nfs/dbraw/zinc/93/59/57/556935957.db2.gz QYNZADJDQJERNI-IBGZPJMESA-N 1 1 436.625 5.162 40 0 IKABMO Clc1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cccc5ncccc45)C3)[nH]n2)c1 ZINC000072371725 556940504 /nfs/dbraw/zinc/94/05/04/556940504.db2.gz LCBGXAHYVXGGOB-LJQANCHMSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cccc5ncccc45)C3)n[nH]2)c1 ZINC000072371725 556940505 /nfs/dbraw/zinc/94/05/05/556940505.db2.gz LCBGXAHYVXGGOB-LJQANCHMSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cccc5ncccc45)C3)n[nH]2)c1 ZINC000072371725 556940506 /nfs/dbraw/zinc/94/05/06/556940506.db2.gz LCBGXAHYVXGGOB-LJQANCHMSA-N 1 1 432.955 5.222 40 0 IKABMO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)[nH+]1 ZINC000072372647 556943331 /nfs/dbraw/zinc/94/33/31/556943331.db2.gz PZUAIFZWNKRODE-XMMPIXPASA-N 1 1 443.526 5.445 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3ccc4nc(C)sc4c3)c2)s1 ZINC000072372626 556943431 /nfs/dbraw/zinc/94/34/31/556943431.db2.gz HWDMKZHAHJDSOT-FQEVSTJZSA-N 1 1 449.605 5.794 40 0 IKABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3cc4c(cccc4C)[nH]3)c2)n1 ZINC000072372628 556943453 /nfs/dbraw/zinc/94/34/53/556943453.db2.gz PIYPHMVSWLULPJ-XMMPIXPASA-N 1 1 440.551 5.307 40 0 IKABMO COCc1ccc(OC)c(C[N@@H+]2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372704 556943756 /nfs/dbraw/zinc/94/37/56/556943756.db2.gz CUHHQODFCCBGAR-DEOSSOPVSA-N 1 1 447.583 5.033 40 0 IKABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372704 556943757 /nfs/dbraw/zinc/94/37/57/556943757.db2.gz CUHHQODFCCBGAR-DEOSSOPVSA-N 1 1 447.583 5.033 40 0 IKABMO CCc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)s1 ZINC000072376045 556953727 /nfs/dbraw/zinc/95/37/27/556953727.db2.gz RTMCBCOKGAFNMD-LJQANCHMSA-N 1 1 430.581 5.167 40 0 IKABMO COc1ccc(C[N@@H+]2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cc1OC ZINC000072391981 556962760 /nfs/dbraw/zinc/96/27/60/556962760.db2.gz BDLSGXLMNSTMRN-UHFFFAOYSA-N 1 1 434.483 5.404 40 0 IKABMO COc1ccc(C[N@H+]2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cc1OC ZINC000072391981 556962761 /nfs/dbraw/zinc/96/27/61/556962761.db2.gz BDLSGXLMNSTMRN-UHFFFAOYSA-N 1 1 434.483 5.404 40 0 IKABMO Cc1ccc([C@@H](NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c2ccccc2)cc1 ZINC000020035412 556970015 /nfs/dbraw/zinc/97/00/15/556970015.db2.gz NDPPXKBFISRLEP-PMERELPUSA-N 1 1 446.594 6.073 40 0 IKABMO Cc1c(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000072398618 556970288 /nfs/dbraw/zinc/97/02/88/556970288.db2.gz ZNZQAZSAOJYLLX-CPJSRVTESA-N 1 1 433.596 5.560 40 0 IKABMO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)ccc21 ZINC000020106538 556982925 /nfs/dbraw/zinc/98/29/25/556982925.db2.gz SDKOSOAUIPOZSX-HXUWFJFHSA-N 1 1 425.576 6.299 40 0 IKABMO S=C(c1cccc(OCc2ccccc2Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408571951 557040839 /nfs/dbraw/zinc/04/08/39/557040839.db2.gz DMRPHJBOIFNADS-UHFFFAOYSA-N 1 1 437.008 5.412 40 0 IKABMO S=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408577111 557043353 /nfs/dbraw/zinc/04/33/53/557043353.db2.gz RHSHYBCRVGQIMS-UHFFFAOYSA-N 1 1 437.008 5.412 40 0 IKABMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414237 557109689 /nfs/dbraw/zinc/10/96/89/557109689.db2.gz JBYMGGHUFOKKPL-KAOXLYBCSA-N 1 1 433.621 5.154 40 0 IKABMO CCCCC[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343530 557123405 /nfs/dbraw/zinc/12/34/05/557123405.db2.gz INXGAHHQCIHNOR-BPYIEZMESA-N 1 1 443.631 6.897 40 0 IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000216321457 557143075 /nfs/dbraw/zinc/14/30/75/557143075.db2.gz RPRODLFGUXVQLA-UHFFFAOYSA-N 1 1 427.573 5.711 40 0 IKABMO COc1ccccc1-c1ccccc1C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2 ZINC000585261962 557197903 /nfs/dbraw/zinc/19/79/03/557197903.db2.gz QJNUZVUZDXCIMY-LBNVMWSVSA-N 1 1 444.550 5.140 40 0 IKABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000096315927 557198510 /nfs/dbraw/zinc/19/85/10/557198510.db2.gz WDCDPXOEENZEFH-QFIPXVFZSA-N 1 1 439.966 5.433 40 0 IKABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000096315927 557198512 /nfs/dbraw/zinc/19/85/12/557198512.db2.gz WDCDPXOEENZEFH-QFIPXVFZSA-N 1 1 439.966 5.433 40 0 IKABMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1ccccc1Cl ZINC000026465395 557242343 /nfs/dbraw/zinc/24/23/43/557242343.db2.gz JNTDMWIEZJTRFZ-PGRDOPGGSA-N 1 1 426.944 5.014 40 0 IKABMO Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cc23)c1 ZINC000057740310 557257549 /nfs/dbraw/zinc/25/75/49/557257549.db2.gz FJTBGHSWZORENE-BGYRXZFFSA-N 1 1 426.564 5.167 40 0 IKABMO Fc1ccc(C2(CCC[N@H+]3CCC[C@]4(C3)Nc3ccccc3-n3cccc34)OCCO2)cc1 ZINC000057719637 557258929 /nfs/dbraw/zinc/25/89/29/557258929.db2.gz YAGZFKJJNCUVJW-AREMUKBSSA-N 1 1 447.554 5.013 40 0 IKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501140 557324582 /nfs/dbraw/zinc/32/45/82/557324582.db2.gz FZJPEGXRVQXQEN-XMMPIXPASA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501140 557324587 /nfs/dbraw/zinc/32/45/87/557324587.db2.gz FZJPEGXRVQXQEN-XMMPIXPASA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501103 557324603 /nfs/dbraw/zinc/32/46/03/557324603.db2.gz QVJUBDFICNBBOH-QHCPKHFHSA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501103 557324607 /nfs/dbraw/zinc/32/46/07/557324607.db2.gz QVJUBDFICNBBOH-QHCPKHFHSA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501141 557324789 /nfs/dbraw/zinc/32/47/89/557324789.db2.gz FZJPEGXRVQXQEN-DEOSSOPVSA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501141 557324791 /nfs/dbraw/zinc/32/47/91/557324791.db2.gz FZJPEGXRVQXQEN-DEOSSOPVSA-N 1 1 448.615 5.224 40 0 IKABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1OC ZINC000013502013 557337172 /nfs/dbraw/zinc/33/71/72/557337172.db2.gz JNPQVWOCXWSUSN-UHFFFAOYSA-N 1 1 437.883 5.013 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215588 557342248 /nfs/dbraw/zinc/34/22/48/557342248.db2.gz KXFUMLGRZSUDOC-DEOSSOPVSA-N 1 1 435.612 6.493 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215791 557342571 /nfs/dbraw/zinc/34/25/71/557342571.db2.gz WTHVZZBIDYHXQQ-DEOSSOPVSA-N 1 1 429.564 6.492 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215671 557342665 /nfs/dbraw/zinc/34/26/65/557342665.db2.gz KXOBNANCGZVSSZ-DEOSSOPVSA-N 1 1 435.612 6.493 40 0 IKABMO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000222564351 557353090 /nfs/dbraw/zinc/35/30/90/557353090.db2.gz GJOUPHZNRSKGLB-UHFFFAOYSA-N 1 1 433.423 5.647 40 0 IKABMO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc12 ZINC000222625471 557364320 /nfs/dbraw/zinc/36/43/20/557364320.db2.gz WWMDEHHWOMDVKB-UHFFFAOYSA-N 1 1 445.346 5.287 40 0 IKABMO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c2ccccc12 ZINC000222625369 557364345 /nfs/dbraw/zinc/36/43/45/557364345.db2.gz FHIZOSLGKLKHJW-UHFFFAOYSA-N 1 1 445.346 5.287 40 0 IKABMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013778091 557388739 /nfs/dbraw/zinc/38/87/39/557388739.db2.gz KYVWHOUGNSMFTK-SAAIGDAKSA-N 1 1 444.575 5.155 40 0 IKABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013778094 557388777 /nfs/dbraw/zinc/38/87/77/557388777.db2.gz KYVWHOUGNSMFTK-FQLPYIGMSA-N 1 1 444.575 5.155 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975455 557410425 /nfs/dbraw/zinc/41/04/25/557410425.db2.gz XJBVJFVHENSRRF-QGZVFWFLSA-N 1 1 445.434 5.962 40 0 IKABMO C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009352 557418110 /nfs/dbraw/zinc/41/81/10/557418110.db2.gz TUBJNSLYVXKFRR-FQEVSTJZSA-N 1 1 434.967 5.041 40 0 IKABMO CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014013618 557418387 /nfs/dbraw/zinc/41/83/87/557418387.db2.gz RSPBMUOSLOTIDH-AREMUKBSSA-N 1 1 428.576 5.086 40 0 IKABMO O=C(CCCOc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014397689 557435764 /nfs/dbraw/zinc/43/57/64/557435764.db2.gz ZAFALWJTHPDQTD-UHFFFAOYSA-N 1 1 448.994 5.433 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223144359 557438828 /nfs/dbraw/zinc/43/88/28/557438828.db2.gz RFKOGVMNHIOOEA-RUZDIDTESA-N 1 1 443.006 5.837 40 0 IKABMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000015931500 557466923 /nfs/dbraw/zinc/46/69/23/557466923.db2.gz XKSWRUYYSKZLQA-AZGAKELHSA-N 1 1 446.978 5.676 40 0 IKABMO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000223470748 557475912 /nfs/dbraw/zinc/47/59/12/557475912.db2.gz HRSASTVGXYXBND-SFHVURJKSA-N 1 1 433.423 6.008 40 0 IKABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2Cl)CC1 ZINC000017096779 557477672 /nfs/dbraw/zinc/47/76/72/557477672.db2.gz YSMSIZZCCACBDG-UHFFFAOYSA-N 1 1 430.335 5.258 40 0 IKABMO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000223555523 557485498 /nfs/dbraw/zinc/48/54/98/557485498.db2.gz WYPKZIAIVRKYDY-UHFFFAOYSA-N 1 1 440.946 5.040 40 0 IKABMO O=C(NCCOc1ccc2ccccc2c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223582231 557488681 /nfs/dbraw/zinc/48/86/81/557488681.db2.gz SCQZPGKRRKVZEC-UHFFFAOYSA-N 1 1 436.555 5.207 40 0 IKABMO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000223717719 557505765 /nfs/dbraw/zinc/50/57/65/557505765.db2.gz DAEUUWUKSSPROW-UHFFFAOYSA-N 1 1 446.994 5.184 40 0 IKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)cc1 ZINC000019631341 557507026 /nfs/dbraw/zinc/50/70/26/557507026.db2.gz UOCNKHHCMCRRBZ-UHFFFAOYSA-N 1 1 440.374 5.568 40 0 IKABMO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000223793704 557514361 /nfs/dbraw/zinc/51/43/61/557514361.db2.gz JKMVKOYIWSMIJU-UHFFFAOYSA-N 1 1 449.422 5.524 40 0 IKABMO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000223793953 557514401 /nfs/dbraw/zinc/51/44/01/557514401.db2.gz OEIDRFDQAZZRHR-UHFFFAOYSA-N 1 1 432.967 5.010 40 0 IKABMO C[C@@H](SCc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238768 557519192 /nfs/dbraw/zinc/51/91/92/557519192.db2.gz HKTBPOIRHPOYDH-JOCHJYFZSA-N 1 1 430.617 5.242 40 0 IKABMO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224364156 557598159 /nfs/dbraw/zinc/59/81/59/557598159.db2.gz VSBVNNBERGLTPG-UHFFFAOYSA-N 1 1 447.391 5.363 40 0 IKABMO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224538070 557618263 /nfs/dbraw/zinc/61/82/63/557618263.db2.gz UROVKCLKWBEHJK-UHFFFAOYSA-N 1 1 441.786 5.054 40 0 IKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)c(C)c1 ZINC000224541473 557618847 /nfs/dbraw/zinc/61/88/47/557618847.db2.gz ASNGFLBOXFLETI-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542467 557619186 /nfs/dbraw/zinc/61/91/86/557619186.db2.gz RIHCWBGZBVFSFY-UHFFFAOYSA-N 1 1 441.786 5.054 40 0 IKABMO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224544018 557619534 /nfs/dbraw/zinc/61/95/34/557619534.db2.gz PTEKQOPJYZKJSJ-UHFFFAOYSA-N 1 1 439.386 6.096 40 0 IKABMO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224548416 557620707 /nfs/dbraw/zinc/62/07/07/557620707.db2.gz GWESDXWALJZITQ-UHFFFAOYSA-N 1 1 449.392 5.552 40 0 IKABMO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000224882438 557662158 /nfs/dbraw/zinc/66/21/58/557662158.db2.gz PHXRVIFHIRRPEF-UHFFFAOYSA-N 1 1 445.441 5.198 40 0 IKABMO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224884836 557662326 /nfs/dbraw/zinc/66/23/26/557662326.db2.gz BPPXUNXOPNCLPQ-UHFFFAOYSA-N 1 1 430.829 5.228 40 0 IKABMO S=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccc2sncc2c1 ZINC000225214669 557701168 /nfs/dbraw/zinc/70/11/68/557701168.db2.gz ZHSRCMPAISGXOQ-UHFFFAOYSA-N 1 1 427.986 5.287 40 0 IKABMO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000225226536 557702419 /nfs/dbraw/zinc/70/24/19/557702419.db2.gz FBXYIGYHHBEXIX-UHFFFAOYSA-N 1 1 433.423 5.647 40 0 IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225450284 557724091 /nfs/dbraw/zinc/72/40/91/557724091.db2.gz UBZHMEPRNSMSBF-UHFFFAOYSA-N 1 1 435.778 5.083 40 0 IKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225523135 557735394 /nfs/dbraw/zinc/73/53/94/557735394.db2.gz JXMHHAGBINIOIP-HXUWFJFHSA-N 1 1 441.015 6.044 40 0 IKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@@H]4C)cc3)CCCC2)cc1 ZINC000225531589 557737643 /nfs/dbraw/zinc/73/76/43/557737643.db2.gz AKTIBDRJIIRAAU-NRFANRHFSA-N 1 1 436.596 5.399 40 0 IKABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534701 557738084 /nfs/dbraw/zinc/73/80/84/557738084.db2.gz ZIDYAOMGDXSQIO-HSZRJFAPSA-N 1 1 434.624 6.028 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCCC2)c1 ZINC000225539847 557738838 /nfs/dbraw/zinc/73/88/38/557738838.db2.gz NOMRMDVPMKGMCB-QHCPKHFHSA-N 1 1 434.624 6.089 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCCCC2)c1 ZINC000225539896 557738906 /nfs/dbraw/zinc/73/89/06/557738906.db2.gz FHOKZLOZHOOOTM-PSWAGMNNSA-N 1 1 448.651 6.192 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)cc1 ZINC000225542359 557739262 /nfs/dbraw/zinc/73/92/62/557739262.db2.gz DCVSNWRUHOQRMO-HSZRJFAPSA-N 1 1 434.624 5.946 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCCC2)cc1 ZINC000225542405 557739294 /nfs/dbraw/zinc/73/92/94/557739294.db2.gz GGYAFOILQCWBMK-QHCPKHFHSA-N 1 1 434.624 6.089 40 0 IKABMO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576489 557745567 /nfs/dbraw/zinc/74/55/67/557745567.db2.gz JHUKCVMZQPBYSC-UHFFFAOYSA-N 1 1 429.750 5.314 40 0 IKABMO Cc1cccc(CSCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225578296 557746143 /nfs/dbraw/zinc/74/61/43/557746143.db2.gz BIXHYNYZPMECNU-UHFFFAOYSA-N 1 1 435.008 5.049 40 0 IKABMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579903 557746370 /nfs/dbraw/zinc/74/63/70/557746370.db2.gz HLKVBIZUTADDEO-UHFFFAOYSA-N 1 1 449.275 6.002 40 0 IKABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225581900 557746808 /nfs/dbraw/zinc/74/68/08/557746808.db2.gz HHOIOVVDSOUGFQ-JOCHJYFZSA-N 1 1 427.683 5.920 40 0 IKABMO O=C(Nc1ccccc1Oc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584223 557747236 /nfs/dbraw/zinc/74/72/36/557747236.db2.gz YFODIKUJKVYSQW-UHFFFAOYSA-N 1 1 438.930 6.122 40 0 IKABMO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccc(Cl)cc3F)CC1)CC(C)(C)O2 ZINC000225587248 557747926 /nfs/dbraw/zinc/74/79/26/557747926.db2.gz PUNXDVFVVSBWNX-JOCHJYFZSA-N 1 1 444.978 5.418 40 0 IKABMO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000225613799 557752188 /nfs/dbraw/zinc/75/21/88/557752188.db2.gz RVBKOLGJDIASTC-UHFFFAOYSA-N 1 1 433.423 5.647 40 0 IKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225615824 557752611 /nfs/dbraw/zinc/75/26/11/557752611.db2.gz WWZWIXVLJVGFMS-JOCHJYFZSA-N 1 1 432.649 5.603 40 0 IKABMO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225664335 557759118 /nfs/dbraw/zinc/75/91/18/557759118.db2.gz XUAOYKPJHRETSU-UFPGJGBJSA-N 1 1 430.633 5.644 40 0 IKABMO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903896 557790112 /nfs/dbraw/zinc/79/01/12/557790112.db2.gz XQWZMEHORIKUKF-NVXWUHKLSA-N 1 1 447.804 5.292 40 0 IKABMO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909845 557790995 /nfs/dbraw/zinc/79/09/95/557790995.db2.gz WBRLXNQZWKEWDT-IBGZPJMESA-N 1 1 427.375 5.675 40 0 IKABMO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909845 557790999 /nfs/dbraw/zinc/79/09/99/557790999.db2.gz WBRLXNQZWKEWDT-IBGZPJMESA-N 1 1 427.375 5.675 40 0 IKABMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225911782 557791283 /nfs/dbraw/zinc/79/12/83/557791283.db2.gz OQPZPTOEOASAEK-LBPRGKRZSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225911782 557791286 /nfs/dbraw/zinc/79/12/86/557791286.db2.gz OQPZPTOEOASAEK-LBPRGKRZSA-N 1 1 432.178 6.151 40 0 IKABMO CC(C)c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)cc1 ZINC000585109522 568872734 /nfs/dbraw/zinc/87/27/34/568872734.db2.gz ARDINQZFTYLKQG-UNCTUWKVSA-N 1 1 432.608 5.013 40 0 IKABMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(Cc4ccc(Cl)cc4)C[C@@H]32)c1 ZINC000585169168 568873133 /nfs/dbraw/zinc/87/31/33/568873133.db2.gz PBWQQRRTLXQGFK-JCYYIGJDSA-N 1 1 447.022 5.839 40 0 IKABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(Cc4cccs4)C[C@@H]32)cc1OC ZINC000585169107 568873256 /nfs/dbraw/zinc/87/32/56/568873256.db2.gz CGDJXXJHEBOUJK-UBFVSLLYSA-N 1 1 448.632 5.255 40 0 IKABMO COc1ccc(C[N@H+]2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)cc1 ZINC000585262928 568873838 /nfs/dbraw/zinc/87/38/38/568873838.db2.gz PWVWLPJMWNDAIB-IBGZPJMESA-N 1 1 432.955 5.438 40 0 IKABMO CCc1cc([C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298711 568897394 /nfs/dbraw/zinc/89/73/94/568897394.db2.gz GXDXEDQFFMXWET-HSZRJFAPSA-N 1 1 437.584 5.039 40 0 IKABMO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000008480736 569218979 /nfs/dbraw/zinc/21/89/79/569218979.db2.gz AEXGPJORHBNABO-QHCPKHFHSA-N 1 1 428.576 5.005 40 0 IKABMO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063663 569219943 /nfs/dbraw/zinc/21/99/43/569219943.db2.gz RUMIOYJGVWNHDK-UHFFFAOYSA-N 1 1 425.729 5.092 40 0 IKABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019235948 569226115 /nfs/dbraw/zinc/22/61/15/569226115.db2.gz YPMYTOKLIJGYTK-BKMJKUGQSA-N 1 1 435.612 5.048 40 0 IKABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000019450868 569226542 /nfs/dbraw/zinc/22/65/42/569226542.db2.gz LRWDIRNFKZDFFZ-FYYLOGMGSA-N 1 1 441.641 5.190 40 0 IKABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402665 569226561 /nfs/dbraw/zinc/22/65/61/569226561.db2.gz NVEUZSABFSVOCN-RPLLCQBOSA-N 1 1 440.591 5.013 40 0 IKABMO CC(C)COc1ccccc1C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702530 569232092 /nfs/dbraw/zinc/23/20/92/569232092.db2.gz NGUZYUPIUPVIQS-LJQANCHMSA-N 1 1 437.609 5.022 40 0 IKABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCCCC3)CC2)sc1CCOc1ccccc1F ZINC000019705420 569234310 /nfs/dbraw/zinc/23/43/10/569234310.db2.gz SYWKJRLFUZNTHF-XMMPIXPASA-N 1 1 432.605 5.218 40 0 IKABMO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)c2)C1 ZINC000019712233 569235375 /nfs/dbraw/zinc/23/53/75/569235375.db2.gz WVIMOYOEWDMDMA-QPPBQGQZSA-N 1 1 436.531 5.030 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019738748 569235884 /nfs/dbraw/zinc/23/58/84/569235884.db2.gz ZWGUCVYAQBWNRD-QHCPKHFHSA-N 1 1 438.584 5.071 40 0 IKABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2Cc2ccc(C)c(C)c2)nc1C ZINC000019755655 569236858 /nfs/dbraw/zinc/23/68/58/569236858.db2.gz YFEUEYRAMGSYAF-DEOSSOPVSA-N 1 1 444.579 5.390 40 0 IKABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2Cc2ccc(C)c(C)c2)nc1C ZINC000019755655 569236860 /nfs/dbraw/zinc/23/68/60/569236860.db2.gz YFEUEYRAMGSYAF-DEOSSOPVSA-N 1 1 444.579 5.390 40 0 IKABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cccc3ncccc23)ncc1C(=O)Nc1ccccc1 ZINC000019755776 569236864 /nfs/dbraw/zinc/23/68/64/569236864.db2.gz MKTLIYMYMZJBGZ-RUZDIDTESA-N 1 1 437.547 5.313 40 0 IKABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2cccc3ncccc23)ncc1C(=O)Nc1ccccc1 ZINC000019755776 569236866 /nfs/dbraw/zinc/23/68/66/569236866.db2.gz MKTLIYMYMZJBGZ-RUZDIDTESA-N 1 1 437.547 5.313 40 0 IKABMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cc1C ZINC000019764740 569238534 /nfs/dbraw/zinc/23/85/34/569238534.db2.gz IQCPJICIZLOOBD-XMMPIXPASA-N 1 1 432.543 5.520 40 0 IKABMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cc1C ZINC000019764740 569238536 /nfs/dbraw/zinc/23/85/36/569238536.db2.gz IQCPJICIZLOOBD-XMMPIXPASA-N 1 1 432.543 5.520 40 0 IKABMO S=C(c1ccc(OCc2ccc(Cl)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000108909209 569253039 /nfs/dbraw/zinc/25/30/39/569253039.db2.gz QNMMKUJVAQKMFS-UHFFFAOYSA-N 1 1 437.008 5.412 40 0 IKABMO Cc1ccc(OCCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000240796011 569268974 /nfs/dbraw/zinc/26/89/74/569268974.db2.gz AZMPEPNHBJNYAK-UHFFFAOYSA-N 1 1 428.576 5.088 40 0 IKABMO O=C1CCC[C@]2(C[N@H+](Cc3cccc(Oc4ccccc4)c3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257202607 569275575 /nfs/dbraw/zinc/27/55/75/569275575.db2.gz AMOXDEHFTNDFQK-WNCULLNHSA-N 1 1 448.513 5.395 40 0 IKABMO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)c1C ZINC000257202442 569275642 /nfs/dbraw/zinc/27/56/42/569275642.db2.gz ALUJQIFISVDCOH-XMMPIXPASA-N 1 1 449.038 6.639 40 0 IKABMO COc1cc(C)c(C[N@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)c1C ZINC000257202441 569275659 /nfs/dbraw/zinc/27/56/59/569275659.db2.gz ALUJQIFISVDCOH-DEOSSOPVSA-N 1 1 449.038 6.639 40 0 IKABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cn(C(C)C)c3ccccc23)C1 ZINC000257206089 569275698 /nfs/dbraw/zinc/27/56/98/569275698.db2.gz BBUQVGSCWZCUKA-GOSISDBHSA-N 1 1 431.605 5.786 40 0 IKABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257210094 569275884 /nfs/dbraw/zinc/27/58/84/569275884.db2.gz BTCVWEADEOBJML-JOCHJYFZSA-N 1 1 446.570 5.102 40 0 IKABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 ZINC000257215441 569276027 /nfs/dbraw/zinc/27/60/27/569276027.db2.gz CQCOYUIXGRFKFG-OAQYLSRUSA-N 1 1 449.982 5.153 40 0 IKABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 ZINC000257215441 569276028 /nfs/dbraw/zinc/27/60/28/569276028.db2.gz CQCOYUIXGRFKFG-OAQYLSRUSA-N 1 1 449.982 5.153 40 0 IKABMO CCOc1ccc(COC)cc1C[N@H+]1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257219147 569276180 /nfs/dbraw/zinc/27/61/80/569276180.db2.gz DFUMHQMTJLBJAV-XMMPIXPASA-N 1 1 448.582 5.736 40 0 IKABMO Cc1cccc(Cc2cncc([C@H]3CCC[N@H+]3Cc3cccc(OC[C@@H]4CCCO4)c3)n2)c1 ZINC000257232876 569276662 /nfs/dbraw/zinc/27/66/62/569276662.db2.gz GMUOGKSIRYFORM-XTEPFMGCSA-N 1 1 443.591 5.271 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)c2ccc(F)cc21 ZINC000257240493 569276890 /nfs/dbraw/zinc/27/68/90/569276890.db2.gz HTTBTFYFFDGAFA-AREMUKBSSA-N 1 1 431.530 6.262 40 0 IKABMO Cc1c(C[N@H+]2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)oc2ccc(C)cc12 ZINC000257241914 569276934 /nfs/dbraw/zinc/27/69/34/569276934.db2.gz IAFKJXIADCKNDQ-XUZZJYLKSA-N 1 1 447.623 6.093 40 0 IKABMO Cc1cc2ccccc2n1CC(=O)NCc1ccc([C@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000257244956 569276942 /nfs/dbraw/zinc/27/69/42/569276942.db2.gz INLXLADZMCDXMY-AREMUKBSSA-N 1 1 430.596 5.131 40 0 IKABMO Cc1ccccc1-c1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257261914 569277429 /nfs/dbraw/zinc/27/74/29/569277429.db2.gz LJHXPLUBYRCLKC-LBNVMWSVSA-N 1 1 428.551 5.439 40 0 IKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](Cc3cccc4cccnc43)CC2)c1 ZINC000257278775 569277807 /nfs/dbraw/zinc/27/78/07/569277807.db2.gz ODQLFLLVYPOQBX-JOCHJYFZSA-N 1 1 438.575 5.273 40 0 IKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+]3Cc3c(C)cc(OC)c(C)c3C)nc2)c1 ZINC000257288441 569278079 /nfs/dbraw/zinc/27/80/79/569278079.db2.gz PUFFEZUMDPVJBC-MHZLTWQESA-N 1 1 430.592 5.952 40 0 IKABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)no1 ZINC000257286182 569278086 /nfs/dbraw/zinc/27/80/86/569278086.db2.gz PKQFCRNCZRHSLT-DEOSSOPVSA-N 1 1 443.591 5.784 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)c2cc(OC)ccc21 ZINC000257290412 569278236 /nfs/dbraw/zinc/27/82/36/569278236.db2.gz QCVQANAKEHEMQS-DEOSSOPVSA-N 1 1 442.567 5.244 40 0 IKABMO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)c1C ZINC000257308634 569278894 /nfs/dbraw/zinc/27/88/94/569278894.db2.gz TXMBLKCBOOZFJM-XMMPIXPASA-N 1 1 443.591 5.161 40 0 IKABMO COc1ccc(-c2nccc([C@H]3CCC[N@H+]3Cc3cccc(Oc4ncccn4)c3)n2)cc1 ZINC000257314879 569279017 /nfs/dbraw/zinc/27/90/17/569279017.db2.gz UYXZXVQCZDWZTE-XMMPIXPASA-N 1 1 439.519 5.072 40 0 IKABMO CC(C)n1c(C[N@H+]2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc2ccccc21 ZINC000257339169 569279615 /nfs/dbraw/zinc/27/96/15/569279615.db2.gz ZAMAXNDJDIBMRI-HSZRJFAPSA-N 1 1 442.582 6.122 40 0 IKABMO COc1cccc(C[N@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257340300 569279799 /nfs/dbraw/zinc/27/97/99/569279799.db2.gz ZFKGLDNOSBVOEG-JOCHJYFZSA-N 1 1 440.509 6.079 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCCC2)cc1 ZINC000260818181 569281842 /nfs/dbraw/zinc/28/18/42/569281842.db2.gz WSGCRJWGYRXMOW-DEOSSOPVSA-N 1 1 448.651 6.336 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@H]4C)cc3)CCCCC2)c1 ZINC000260817039 569281844 /nfs/dbraw/zinc/28/18/44/569281844.db2.gz UZMZYMAPKLIZPQ-XMMPIXPASA-N 1 1 448.651 6.479 40 0 IKABMO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 ZINC000260830843 569281862 /nfs/dbraw/zinc/28/18/62/569281862.db2.gz UHAJYWMXWKZCCQ-ZBFHGGJFSA-N 1 1 425.787 5.736 40 0 IKABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 ZINC000260830843 569281863 /nfs/dbraw/zinc/28/18/63/569281863.db2.gz UHAJYWMXWKZCCQ-ZBFHGGJFSA-N 1 1 425.787 5.736 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814759 569281905 /nfs/dbraw/zinc/28/19/05/569281905.db2.gz NINRTMZXLKOOEL-AOJNWGRGSA-N 1 1 430.633 5.501 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260818204 569281908 /nfs/dbraw/zinc/28/19/08/569281908.db2.gz XRRCQOMIMJVNFR-JOCHJYFZSA-N 1 1 430.633 5.788 40 0 IKABMO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814474 569281941 /nfs/dbraw/zinc/28/19/41/569281941.db2.gz IWZFSFOKYKEARI-HSZRJFAPSA-N 1 1 446.676 6.136 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812568 569281948 /nfs/dbraw/zinc/28/19/48/569281948.db2.gz GUZLUUPJMDREOH-QHCPKHFHSA-N 1 1 446.676 5.993 40 0 IKABMO COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C(C)C ZINC000260934919 569282031 /nfs/dbraw/zinc/28/20/31/569282031.db2.gz NLTIXJDTXBSUFV-CTNGQTDRSA-N 1 1 443.031 5.870 40 0 IKABMO CC(C)c1nc(NC2CCCCC2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328978805 569285145 /nfs/dbraw/zinc/28/51/45/569285145.db2.gz GBNILTXSTUCDEQ-UHFFFAOYSA-N 1 1 429.406 5.670 40 0 IKABMO CC[N@@H+](Cc1ccnc2ccccc12)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 ZINC000019712716 569327647 /nfs/dbraw/zinc/32/76/47/569327647.db2.gz MDCMCFJSWBROFB-BVAGGSTKSA-N 1 1 431.580 5.115 40 0 IKABMO O=C1CCC[C@@H]2[C@H](C[C@H](c3ccc(C(F)(F)F)cc3)[N@@H+]2Cc2cccc3cccnc32)N1 ZINC000019713849 569327839 /nfs/dbraw/zinc/32/78/39/569327839.db2.gz JVYIEASJNVWOMP-BHDDXSALSA-N 1 1 439.481 5.238 40 0 IKABMO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC ZINC000012185689 522374418 /nfs/dbraw/zinc/37/44/18/522374418.db2.gz QBIGXVAZKCIBGX-NRFANRHFSA-N 1 1 440.515 5.624 40 0 IKABMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC ZINC000012185689 522374425 /nfs/dbraw/zinc/37/44/25/522374425.db2.gz QBIGXVAZKCIBGX-NRFANRHFSA-N 1 1 440.515 5.624 40 0 IKABMO COc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022076347 522468768 /nfs/dbraw/zinc/46/87/68/522468768.db2.gz SCRXYGARKMENGA-UHFFFAOYSA-N 1 1 426.727 6.117 40 0 IKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccc(NC(C)=O)cc3)no2)cc1OC ZINC000012185663 523115312 /nfs/dbraw/zinc/11/53/12/523115312.db2.gz AWESESYWKXSEJF-QHCPKHFHSA-N 1 1 449.551 5.435 40 0 IKABMO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(OC)c1OC ZINC000012185712 524025692 /nfs/dbraw/zinc/02/56/92/524025692.db2.gz WSGWUZVUVXPTAE-OAQYLSRUSA-N 1 1 440.515 5.624 40 0 IKABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(OC)c1OC ZINC000012185712 524025694 /nfs/dbraw/zinc/02/56/94/524025694.db2.gz WSGWUZVUVXPTAE-OAQYLSRUSA-N 1 1 440.515 5.624 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)C1 ZINC000020488042 524091884 /nfs/dbraw/zinc/09/18/84/524091884.db2.gz TVEDREBYEGQEJI-KRWDZBQOSA-N 1 1 435.008 5.374 40 0 IKABMO Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)N5CC[NH+](Cc6ccccc6)CC5)(C4)C2)C3)cc1 ZINC000012686173 524228045 /nfs/dbraw/zinc/22/80/45/524228045.db2.gz WMCXGGQXWJTYAW-UXRGOTNFSA-N 1 1 428.620 5.177 40 0 IKABMO COc1ccccc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000035310884 524457918 /nfs/dbraw/zinc/45/79/18/524457918.db2.gz IEPHGEUEKDHBEY-YQQQUEKLSA-N 1 1 447.501 5.421 40 0 IKABMO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000020455793 524771445 /nfs/dbraw/zinc/77/14/45/524771445.db2.gz DHTIXOKNZOPCNA-QHCPKHFHSA-N 1 1 428.576 5.005 40 0 IKABMO c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425508 526391997 /nfs/dbraw/zinc/39/19/97/526391997.db2.gz OUNARHOHWXBBJP-QHCPKHFHSA-N 1 1 443.551 5.662 40 0 biogenic,in-vitro IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000020461671 527384555 /nfs/dbraw/zinc/38/45/55/527384555.db2.gz BDLWTGOQYVXZSA-HAVVHWLPSA-N 1 1 427.935 5.691 40 0 IKABMO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000020503194 527447356 /nfs/dbraw/zinc/44/73/56/527447356.db2.gz JSGCFBMRZISMAM-AZUAARDMSA-N 1 1 430.548 5.488 40 0 biogenic,in-vitro IKABMO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)[C@@H]1CCCC=C1[NH+]1CCCCC1 ZINC000016249391 527548530 /nfs/dbraw/zinc/54/85/30/527548530.db2.gz KRZMLUCWKMLMMF-SQHAQQRYSA-N 1 1 427.592 6.188 40 0 IKABMO COc1ccc([C@H](C[N@@H+](C)C(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000001758872 555712821 /nfs/dbraw/zinc/71/28/21/555712821.db2.gz VNXGWXHCHMZQTK-SANMLTNESA-N 1 1 447.575 5.460 40 0 IKABMO C[N@@H+](Cc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000005518877 556057804 /nfs/dbraw/zinc/05/78/04/556057804.db2.gz ZUCWJCZDTZGBHU-PQHLKRTFSA-N 1 1 433.551 6.168 40 0 IKABMO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013709909 556283883 /nfs/dbraw/zinc/28/38/83/556283883.db2.gz CSYPDFRIKWOINO-FQEVSTJZSA-N 1 1 434.967 5.041 40 0 IKABMO C[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013763895 556301840 /nfs/dbraw/zinc/30/18/40/556301840.db2.gz LBMQWGLSKLHDSA-XTPLGNKUSA-N 1 1 445.606 7.163 40 0 IKABMO CC(C)c1ccccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009284 556354189 /nfs/dbraw/zinc/35/41/89/556354189.db2.gz IIXOOUOUGYEWCX-UHFFFAOYSA-N 1 1 428.576 5.123 40 0 IKABMO COc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)cc1 ZINC000012089093 556401823 /nfs/dbraw/zinc/40/18/23/556401823.db2.gz IFKPXCPICQIXMF-XUEDKKMFSA-N 1 1 428.576 5.185 40 0 IKABMO COc1cc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(OC)cc1Cl ZINC000039766794 556437135 /nfs/dbraw/zinc/43/71/35/556437135.db2.gz IJPCVTIWHNNJPC-UHFFFAOYSA-N 1 1 441.330 5.000 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039767956 556437408 /nfs/dbraw/zinc/43/74/08/556437408.db2.gz UYOOJZYPCAQAFV-QGZVFWFLSA-N 1 1 430.995 5.866 40 0 IKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039751348 556438812 /nfs/dbraw/zinc/43/88/12/556438812.db2.gz ZQRYRXIURSBKOR-UHFFFAOYSA-N 1 1 438.930 6.122 40 0 IKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1 ZINC000408875921 556466034 /nfs/dbraw/zinc/46/60/34/556466034.db2.gz MKQYNEASADSUKS-UHFFFAOYSA-N 1 1 449.982 5.232 40 0 IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000030753300 556503597 /nfs/dbraw/zinc/50/35/97/556503597.db2.gz UMENSUVIVHKGFI-UHFFFAOYSA-N 1 1 436.559 5.064 40 0 IKABMO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000030854481 556509659 /nfs/dbraw/zinc/50/96/59/556509659.db2.gz LIPRDQINGCBFRL-MUUNZHRXSA-N 1 1 442.603 5.771 40 0 IKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030937889 556515519 /nfs/dbraw/zinc/51/55/19/556515519.db2.gz LBGAWUXGEQAOII-FQEVSTJZSA-N 1 1 437.008 6.342 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030938679 556515581 /nfs/dbraw/zinc/51/55/81/556515581.db2.gz PTUCAYUJKPOZKU-CYBMUJFWSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030938679 556515582 /nfs/dbraw/zinc/51/55/82/556515582.db2.gz PTUCAYUJKPOZKU-CYBMUJFWSA-N 1 1 432.178 6.151 40 0 IKABMO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000030943337 556516616 /nfs/dbraw/zinc/51/66/16/556516616.db2.gz OMJDKHOZDMXBDH-FQEVSTJZSA-N 1 1 428.960 5.148 40 0 IKABMO O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030947092 556517208 /nfs/dbraw/zinc/51/72/08/556517208.db2.gz SNAPEWRCURDKFV-GYPCIFOGSA-N 1 1 446.610 6.144 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1 ZINC000030947143 556517288 /nfs/dbraw/zinc/51/72/88/556517288.db2.gz LIABVCPXUXOGED-QOHRDKRTSA-N 1 1 442.647 6.639 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1 ZINC000030947146 556517672 /nfs/dbraw/zinc/51/76/72/556517672.db2.gz LIABVCPXUXOGED-BPOJBYEUSA-N 1 1 442.647 6.639 40 0 IKABMO CCOc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013669866 556550751 /nfs/dbraw/zinc/55/07/51/556550751.db2.gz VDAVDTXKXAZTTQ-UHFFFAOYSA-N 1 1 428.576 5.006 40 0 IKABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833085 556622048 /nfs/dbraw/zinc/62/20/48/556622048.db2.gz NZYWGAJSJHMIQY-VWLOTQADSA-N 1 1 432.995 5.781 40 0 IKABMO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833934 556622179 /nfs/dbraw/zinc/62/21/79/556622179.db2.gz CIHXZHHIVKVUBJ-AWEZNQCLSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833934 556622182 /nfs/dbraw/zinc/62/21/82/556622182.db2.gz CIHXZHHIVKVUBJ-AWEZNQCLSA-N 1 1 442.184 5.607 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038834482 556622447 /nfs/dbraw/zinc/62/24/47/556622447.db2.gz WCYJHIYVBTZZLS-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833999 556622476 /nfs/dbraw/zinc/62/24/76/556622476.db2.gz PBZMDRUUSVYHGT-CYBMUJFWSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833999 556622479 /nfs/dbraw/zinc/62/24/79/556622479.db2.gz PBZMDRUUSVYHGT-CYBMUJFWSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038833951 556622486 /nfs/dbraw/zinc/62/24/86/556622486.db2.gz RTPFERRGSZEDCA-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038835520 556623049 /nfs/dbraw/zinc/62/30/49/556623049.db2.gz UNPLUBPPRIJYSS-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038835513 556623118 /nfs/dbraw/zinc/62/31/18/556623118.db2.gz GFVODJAQSLQWHM-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038835028 556623123 /nfs/dbraw/zinc/62/31/23/556623123.db2.gz PMAQKRMKEDIMNW-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038835027 556623153 /nfs/dbraw/zinc/62/31/53/556623153.db2.gz QIARZTJCXVOEGL-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2Cl)CC1 ZINC000016681526 556623770 /nfs/dbraw/zinc/62/37/70/556623770.db2.gz MSPNOBFUUNZZPX-UHFFFAOYSA-N 1 1 434.392 5.602 40 0 IKABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000038850236 556624481 /nfs/dbraw/zinc/62/44/81/556624481.db2.gz BYHPDHPBADCPKH-UHFFFAOYSA-N 1 1 427.759 5.506 40 0 IKABMO O=C(C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000038850892 556624661 /nfs/dbraw/zinc/62/46/61/556624661.db2.gz WSGYPKJGYNFTIA-UHFFFAOYSA-N 1 1 445.434 5.687 40 0 IKABMO O=C(C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000038850894 556624810 /nfs/dbraw/zinc/62/48/10/556624810.db2.gz ICKYMSZAMFAKRD-UHFFFAOYSA-N 1 1 445.434 5.687 40 0 IKABMO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038852832 556624976 /nfs/dbraw/zinc/62/49/76/556624976.db2.gz SQXJKYMILUVNNA-UHFFFAOYSA-N 1 1 429.457 5.388 40 0 IKABMO O=C(Nc1ccc(CSc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038851453 556625028 /nfs/dbraw/zinc/62/50/28/556625028.db2.gz XLRUHJRCYFGDHK-JOCHJYFZSA-N 1 1 434.580 5.969 40 0 IKABMO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038859948 556626143 /nfs/dbraw/zinc/62/61/43/556626143.db2.gz XWPRWFAQKNQEOD-UHFFFAOYSA-N 1 1 429.402 5.732 40 0 IKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038860828 556626458 /nfs/dbraw/zinc/62/64/58/556626458.db2.gz UMQCYFCFIGXDFF-IBGZPJMESA-N 1 1 438.930 6.122 40 0 IKABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccccc1F ZINC000016688735 556626949 /nfs/dbraw/zinc/62/69/49/556626949.db2.gz NHJZGNBJJRRONG-UHFFFAOYSA-N 1 1 445.332 5.251 40 0 IKABMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(Cc2ccccc2)C(C)C)c1 ZINC000016768317 556640063 /nfs/dbraw/zinc/64/00/63/556640063.db2.gz ZRJBRYWIENSKIR-UHFFFAOYSA-N 1 1 432.571 6.811 40 0 IKABMO CCCOc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044851645 556670778 /nfs/dbraw/zinc/67/07/78/556670778.db2.gz KBJRFVHQDSILHD-UHFFFAOYSA-N 1 1 442.603 5.396 40 0 IKABMO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044852881 556671124 /nfs/dbraw/zinc/67/11/24/556671124.db2.gz SVHYNMZSRORHPT-KRWDZBQOSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855176 556671292 /nfs/dbraw/zinc/67/12/92/556671292.db2.gz QBBDWPFHEWIHBM-KNQAVFIVSA-N 1 1 426.988 5.279 40 0 IKABMO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3c(F)cccc3Cl)CC1)CC(C)(C)O2 ZINC000044855248 556671321 /nfs/dbraw/zinc/67/13/21/556671321.db2.gz UIZCETYSAHVXGJ-QFIPXVFZSA-N 1 1 444.978 5.418 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044855430 556671568 /nfs/dbraw/zinc/67/15/68/556671568.db2.gz HPQIPCUTZLBFIS-AREMUKBSSA-N 1 1 440.587 5.586 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856678 556672229 /nfs/dbraw/zinc/67/22/29/556672229.db2.gz GERMOBCUGQRWNX-HSZRJFAPSA-N 1 1 433.423 6.090 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856518 556672266 /nfs/dbraw/zinc/67/22/66/556672266.db2.gz IOCGAGAIPYBIBX-HSZRJFAPSA-N 1 1 433.423 6.090 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1C ZINC000044856676 556672301 /nfs/dbraw/zinc/67/23/01/556672301.db2.gz YOQXJGRMEPEVPE-HSZRJFAPSA-N 1 1 433.423 6.090 40 0 IKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856874 556672663 /nfs/dbraw/zinc/67/26/63/556672663.db2.gz QWCIEWWEGQXBRL-RUZDIDTESA-N 1 1 444.575 5.143 40 0 IKABMO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044882619 556674453 /nfs/dbraw/zinc/67/44/53/556674453.db2.gz UQDQDWUAWOBFHG-UHFFFAOYSA-N 1 1 435.395 5.309 40 0 IKABMO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044906255 556679778 /nfs/dbraw/zinc/67/97/78/556679778.db2.gz GVYFIGDKVDOWFT-UHFFFAOYSA-N 1 1 439.814 5.608 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000044912122 556680988 /nfs/dbraw/zinc/68/09/88/556680988.db2.gz AXPBWCJFCHLKPE-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044911885 556681031 /nfs/dbraw/zinc/68/10/31/556681031.db2.gz SZNJAYIBPOWZPA-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO O=C(Nc1ccccc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044915838 556681262 /nfs/dbraw/zinc/68/12/62/556681262.db2.gz URVYDMRFVUPNDN-UHFFFAOYSA-N 1 1 432.951 5.422 40 0 IKABMO CC1(C)C[C@@H](NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c2ccccc2O1 ZINC000044918631 556681997 /nfs/dbraw/zinc/68/19/97/556681997.db2.gz FCJIWEHBZVHTEF-RUZDIDTESA-N 1 1 426.560 5.277 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936331 556682616 /nfs/dbraw/zinc/68/26/16/556682616.db2.gz VMGMNGNKCGZGIA-JOCHJYFZSA-N 1 1 435.395 5.482 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936329 556682644 /nfs/dbraw/zinc/68/26/44/556682644.db2.gz VMGMNGNKCGZGIA-QFIPXVFZSA-N 1 1 435.395 5.482 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936318 556682677 /nfs/dbraw/zinc/68/26/77/556682677.db2.gz KKLHAAKBQFXNPA-JOCHJYFZSA-N 1 1 435.395 5.482 40 0 IKABMO C=C1[NH+]=C(SCc2ccccc2Cl)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408987991 556693479 /nfs/dbraw/zinc/69/34/79/556693479.db2.gz GOGDQHRNLVLTDY-NRFANRHFSA-N 1 1 444.984 5.510 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019081923 556696615 /nfs/dbraw/zinc/69/66/15/556696615.db2.gz AENVMVXRNXSSGZ-UWJYYQICSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019081923 556696618 /nfs/dbraw/zinc/69/66/18/556696618.db2.gz AENVMVXRNXSSGZ-UWJYYQICSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019081925 556696635 /nfs/dbraw/zinc/69/66/35/556696635.db2.gz AENVMVXRNXSSGZ-LAUBAEHRSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019081925 556696636 /nfs/dbraw/zinc/69/66/36/556696636.db2.gz AENVMVXRNXSSGZ-LAUBAEHRSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081848 556696804 /nfs/dbraw/zinc/69/68/04/556696804.db2.gz MPCQDPARAQSAHG-UTKZUKDTSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081848 556696806 /nfs/dbraw/zinc/69/68/06/556696806.db2.gz MPCQDPARAQSAHG-UTKZUKDTSA-N 1 1 434.411 5.504 40 0 IKABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019236859 556721371 /nfs/dbraw/zinc/72/13/71/556721371.db2.gz BDULMTXJSHMADV-RUZDIDTESA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019236815 556721458 /nfs/dbraw/zinc/72/14/58/556721458.db2.gz ADGJBNCZRZMHMZ-CPJSRVTESA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019236831 556721525 /nfs/dbraw/zinc/72/15/25/556721525.db2.gz GRWXCKRXPOPWKB-CJFMBICVSA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019236831 556721527 /nfs/dbraw/zinc/72/15/27/556721527.db2.gz GRWXCKRXPOPWKB-CJFMBICVSA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019236870 556721932 /nfs/dbraw/zinc/72/19/32/556721932.db2.gz BWCLOGGRAHEESR-VWLOTQADSA-N 1 1 435.518 5.052 40 0 IKABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293885 556733044 /nfs/dbraw/zinc/73/30/44/556733044.db2.gz CHYCHMQACNLYKK-HJOGWXRNSA-N 1 1 438.543 5.157 40 0 IKABMO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[N@H+]3C3CCOCC3)n2)c1 ZINC000019294053 556733540 /nfs/dbraw/zinc/73/35/40/556733540.db2.gz GGTHTNFTQHJAJC-HSZRJFAPSA-N 1 1 433.531 5.127 40 0 IKABMO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000019294083 556733799 /nfs/dbraw/zinc/73/37/99/556733799.db2.gz XTZUSYHIEFYTNG-OAQYLSRUSA-N 1 1 440.526 5.196 40 0 IKABMO Fc1ccc(-c2cnc3c(c2)[C@H]([NH2+]C2CCCC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019336717 556738554 /nfs/dbraw/zinc/73/85/54/556738554.db2.gz SAAOQJTYEQZVRN-JOCHJYFZSA-N 1 1 444.539 5.085 40 0 IKABMO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCC[N@H+]3C3CCSCC3)nn21 ZINC000019343875 556741763 /nfs/dbraw/zinc/74/17/63/556741763.db2.gz XJZNJZYECPMVLA-LZLYRXPVSA-N 1 1 442.576 5.637 40 0 IKABMO Fc1ccc([C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1 ZINC000019348728 556744161 /nfs/dbraw/zinc/74/41/61/556744161.db2.gz ALZCNOPGRICSHV-JTHBVZDNSA-N 1 1 430.445 5.424 40 0 IKABMO Clc1ccc(SCCN2CC[NH+](CCSc3ccc(Cl)cc3)CC2)cc1 ZINC000019365572 556746066 /nfs/dbraw/zinc/74/60/66/556746066.db2.gz AUJYRKIDNQBCTE-UHFFFAOYSA-N 1 1 427.466 5.495 40 0 IKABMO CC1(C)[C@@H]2CC[C@@]1(C)C[N@@H+](C[C@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 ZINC000001225587 556751356 /nfs/dbraw/zinc/75/13/56/556751356.db2.gz IVFYNVUWEOJAST-GSQWSPMESA-N 1 1 445.434 6.220 40 0 IKABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400662 556753035 /nfs/dbraw/zinc/75/30/35/556753035.db2.gz IJYQIGXWGGCOGZ-YIXXDRMTSA-N 1 1 447.623 5.273 40 0 IKABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400610 556753207 /nfs/dbraw/zinc/75/32/07/556753207.db2.gz FWYNNGDBIOFPQV-OFVILXPXSA-N 1 1 442.588 5.075 40 0 IKABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019400554 556753217 /nfs/dbraw/zinc/75/32/17/556753217.db2.gz OPUAYHSYFGHNBL-NBGIEHNGSA-N 1 1 427.539 5.010 40 0 IKABMO CC(C)CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019446680 556756082 /nfs/dbraw/zinc/75/60/82/556756082.db2.gz IQLQYDGKGCAMOU-QHCPKHFHSA-N 1 1 434.411 5.504 40 0 IKABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)c2sccn12 ZINC000019523092 556780260 /nfs/dbraw/zinc/78/02/60/556780260.db2.gz OKLBKYQIJKCEGR-SFHVURJKSA-N 1 1 449.580 5.326 40 0 IKABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3ccccn3)C2)c2sccn12 ZINC000019523099 556780579 /nfs/dbraw/zinc/78/05/79/556780579.db2.gz LMRPOANIJMMTBF-GOSISDBHSA-N 1 1 431.565 5.117 40 0 IKABMO COc1c(C)c[nH+]c(Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)c1C ZINC000001355187 556782375 /nfs/dbraw/zinc/78/23/75/556782375.db2.gz HGAHKVBNBHOJGL-UHFFFAOYSA-N 1 1 435.499 5.205 40 0 IKABMO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@H+]2Cc2cc(OC)cc(OC)c2)n1 ZINC000019525603 556783116 /nfs/dbraw/zinc/78/31/16/556783116.db2.gz VCITUVJRHXPBAT-XMMPIXPASA-N 1 1 432.568 5.236 40 0 IKABMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)ccc1OC ZINC000019531976 556792307 /nfs/dbraw/zinc/79/23/07/556792307.db2.gz OJHIHXPKRWCTPN-INIZCTEOSA-N 1 1 431.483 5.256 40 0 IKABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)ccc1OC ZINC000019531974 556792324 /nfs/dbraw/zinc/79/23/24/556792324.db2.gz OJHIHXPKRWCTPN-MRXNPFEDSA-N 1 1 431.483 5.256 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1OC ZINC000019533790 556793521 /nfs/dbraw/zinc/79/35/21/556793521.db2.gz RAIZWOPXYPYBBN-MRXNPFEDSA-N 1 1 431.483 5.256 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019533787 556793531 /nfs/dbraw/zinc/79/35/31/556793531.db2.gz RGLJYFDMAVPPEH-MRXNPFEDSA-N 1 1 449.473 5.337 40 0 IKABMO O=c1c(-c2ccc(OC(F)(F)F)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000005415033 556798746 /nfs/dbraw/zinc/79/87/46/556798746.db2.gz VUXCVOIIBFUZEK-DOTOQJQBSA-N 1 1 446.494 5.095 40 0 biogenic,in-vitro IKABMO Cc1sc2c([C@H]3CCCN(C(=O)Cc4ccccn4)C3)[nH+]c(Nc3ccccc3)n2c1C ZINC000019561723 556803127 /nfs/dbraw/zinc/80/31/27/556803127.db2.gz WTGQOVUKHRTUMX-IBGZPJMESA-N 1 1 445.592 5.100 40 0 IKABMO COc1cc(C)c(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C ZINC000019567345 556807553 /nfs/dbraw/zinc/80/75/53/556807553.db2.gz WILOFJCQXZPGJY-XMMPIXPASA-N 1 1 445.611 5.266 40 0 IKABMO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1OC ZINC000019567904 556808062 /nfs/dbraw/zinc/80/80/62/556808062.db2.gz RGVQEEZEABERCS-FQEVSTJZSA-N 1 1 436.508 5.205 40 0 IKABMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1OC ZINC000019567904 556808064 /nfs/dbraw/zinc/80/80/64/556808064.db2.gz RGVQEEZEABERCS-FQEVSTJZSA-N 1 1 436.508 5.205 40 0 IKABMO O=C(C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1)N(c1ccccc1)c1ccccc1 ZINC000004398458 556822487 /nfs/dbraw/zinc/82/24/87/556822487.db2.gz JYAXAJLENRUMRY-UHFFFAOYSA-N 1 1 444.966 5.761 40 0 IKABMO O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000066129434 556840160 /nfs/dbraw/zinc/84/01/60/556840160.db2.gz LAMPPZAYRXOJOM-UHFFFAOYSA-N 1 1 426.438 5.396 40 0 IKABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000019687424 556842308 /nfs/dbraw/zinc/84/23/08/556842308.db2.gz KRDDMDGBAAWLPX-XMMPIXPASA-N 1 1 427.527 5.234 40 0 IKABMO Cc1c(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)cnn1C ZINC000019690877 556846904 /nfs/dbraw/zinc/84/69/04/556846904.db2.gz JPVDFYCOJYINLB-HSZRJFAPSA-N 1 1 428.502 5.379 40 0 IKABMO Cc1c(C[N@H+]2CCC[C@H]2c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)cnn1C ZINC000019690876 556846964 /nfs/dbraw/zinc/84/69/64/556846964.db2.gz JPVDFYCOJYINLB-QHCPKHFHSA-N 1 1 428.502 5.379 40 0 IKABMO Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000008892273 556851169 /nfs/dbraw/zinc/85/11/69/556851169.db2.gz HLYDHNXXNZTLMP-DHIUTWEWSA-N 1 1 447.325 5.798 40 0 IKABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695968 556852945 /nfs/dbraw/zinc/85/29/45/556852945.db2.gz NKPRFVSEXVMPFT-DEOSSOPVSA-N 1 1 432.612 5.167 40 0 IKABMO Cc1nn(-c2ccccn2)c2nc([C@@H]3CCC[N@@H+]3Cc3cn(C)c4ccc(F)cc34)ccc12 ZINC000019742436 556886537 /nfs/dbraw/zinc/88/65/37/556886537.db2.gz BQTGMLDEOKJJMJ-DEOSSOPVSA-N 1 1 440.526 5.092 40 0 IKABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743189 556887614 /nfs/dbraw/zinc/88/76/14/556887614.db2.gz FEPQCMIMYDZVBY-HSZRJFAPSA-N 1 1 436.575 5.263 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000072330428 556905462 /nfs/dbraw/zinc/90/54/62/556905462.db2.gz SJVXRBDLXUORKH-DFBJGRDBSA-N 1 1 444.604 5.018 40 0 IKABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330456 556905899 /nfs/dbraw/zinc/90/58/99/556905899.db2.gz YPMYTOKLIJGYTK-NVQXNPDNSA-N 1 1 435.612 5.048 40 0 IKABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000072330550 556906447 /nfs/dbraw/zinc/90/64/47/556906447.db2.gz HIXPCWQFYIIFFW-LSYYVWMOSA-N 1 1 427.592 5.092 40 0 IKABMO CCn1ccnc1C[NH+]1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072350305 556920369 /nfs/dbraw/zinc/92/03/69/556920369.db2.gz YUZAUNWIVSGXIK-UHFFFAOYSA-N 1 1 428.502 5.287 40 0 IKABMO Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)c(C)c1 ZINC000019819715 556923183 /nfs/dbraw/zinc/92/31/83/556923183.db2.gz RIMVBJGPANUCLN-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)c(C)c1 ZINC000019819715 556923186 /nfs/dbraw/zinc/92/31/86/556923186.db2.gz RIMVBJGPANUCLN-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000072352489 556924535 /nfs/dbraw/zinc/92/45/35/556924535.db2.gz KIYUKUXXJUPXHF-QGZVFWFLSA-N 1 1 432.593 5.181 40 0 IKABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000072352492 556924553 /nfs/dbraw/zinc/92/45/53/556924553.db2.gz YEXSEJQXOFPYMZ-QGZVFWFLSA-N 1 1 426.557 5.001 40 0 IKABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358228 556931830 /nfs/dbraw/zinc/93/18/30/556931830.db2.gz IJHJGWNWYKTLTG-JOCHJYFZSA-N 1 1 426.486 5.465 40 0 IKABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@H+]1Cc1ccc2cccc(OC)c2n1 ZINC000072370374 556934676 /nfs/dbraw/zinc/93/46/76/556934676.db2.gz JLHIVEAWVNSLLS-LJQANCHMSA-N 1 1 445.588 5.025 40 0 IKABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1cnc(C(C)C)nc1 ZINC000072370687 556935952 /nfs/dbraw/zinc/93/59/52/556935952.db2.gz QYNZADJDQJERNI-LJQANCHMSA-N 1 1 436.625 5.162 40 0 IKABMO COCc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372709 556943807 /nfs/dbraw/zinc/94/38/07/556943807.db2.gz UGJZQSWYIMQOQY-JOCHJYFZSA-N 1 1 438.597 5.391 40 0 IKABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372709 556943810 /nfs/dbraw/zinc/94/38/10/556943810.db2.gz UGJZQSWYIMQOQY-JOCHJYFZSA-N 1 1 438.597 5.391 40 0 IKABMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO ZINC000072372713 556943823 /nfs/dbraw/zinc/94/38/23/556943823.db2.gz MPOAODRKQATISC-QFIPXVFZSA-N 1 1 438.597 5.127 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO ZINC000072372713 556943825 /nfs/dbraw/zinc/94/38/25/556943825.db2.gz MPOAODRKQATISC-QFIPXVFZSA-N 1 1 438.597 5.127 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)c2)s1 ZINC000072372724 556944061 /nfs/dbraw/zinc/94/40/61/556944061.db2.gz AFJMBFIJMYZFKG-NRFANRHFSA-N 1 1 438.572 5.679 40 0 IKABMO CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019933957 556950085 /nfs/dbraw/zinc/95/00/85/556950085.db2.gz QOWQOBPIVMWBNA-AREMUKBSSA-N 1 1 442.603 5.395 40 0 IKABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cn(CCCO)c4ccccc34)n2)s1 ZINC000072375763 556952927 /nfs/dbraw/zinc/95/29/27/556952927.db2.gz ASJBXZPKGJFAQL-QHCPKHFHSA-N 1 1 447.608 5.264 40 0 IKABMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@@H]1c1cccc(Nc3ncccn3)n1)cn2C(C)C ZINC000072375777 556952965 /nfs/dbraw/zinc/95/29/65/556952965.db2.gz FQRKMDUUBKUSRD-XMMPIXPASA-N 1 1 442.567 5.497 40 0 IKABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cn(CCCO)c4ccccc34)n2)s1 ZINC000072375764 556952978 /nfs/dbraw/zinc/95/29/78/556952978.db2.gz ASJBXZPKGJFAQL-HSZRJFAPSA-N 1 1 447.608 5.264 40 0 IKABMO COCc1cc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)ccc1OC(C)C ZINC000072376455 556954822 /nfs/dbraw/zinc/95/48/22/556954822.db2.gz ZNAMJNMPOSNKGR-HSZRJFAPSA-N 1 1 447.583 5.194 40 0 IKABMO COCc1cc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)ccc1OC(C)C ZINC000072376455 556954824 /nfs/dbraw/zinc/95/48/24/556954824.db2.gz ZNAMJNMPOSNKGR-HSZRJFAPSA-N 1 1 447.583 5.194 40 0 IKABMO CCn1ncc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000072376646 556955501 /nfs/dbraw/zinc/95/55/01/556955501.db2.gz NOUSDTGPGZYFKY-QFIPXVFZSA-N 1 1 439.007 5.115 40 0 IKABMO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@H+]2Cc2cccc(OC)c2OC)n1 ZINC000072390678 556961246 /nfs/dbraw/zinc/96/12/46/556961246.db2.gz FXGDUJBXQSZRNJ-JOCHJYFZSA-N 1 1 432.568 5.236 40 0 IKABMO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072391340 556961990 /nfs/dbraw/zinc/96/19/90/556961990.db2.gz GWPUSDSGGLNEKR-HXUWFJFHSA-N 1 1 440.526 5.196 40 0 IKABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000072398616 556970231 /nfs/dbraw/zinc/97/02/31/556970231.db2.gz HPMDLLFMLUYPQP-NVQXNPDNSA-N 1 1 449.639 5.085 40 0 IKABMO CC[NH+]1CCN(C(=S)c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408572026 557040911 /nfs/dbraw/zinc/04/09/11/557040911.db2.gz DWWKVQDUFSPYDY-UHFFFAOYSA-N 1 1 443.827 5.539 40 0 IKABMO CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408681901 557099476 /nfs/dbraw/zinc/09/94/76/557099476.db2.gz VQMOZZFJJBYGTN-VWLOTQADSA-N 1 1 448.994 5.431 40 0 IKABMO CC(=O)Oc1ccc2ccccc2c1C[N@@H+](C)Cc1cc(Cl)cc(C)c1OC(C)=O ZINC000090760123 557136493 /nfs/dbraw/zinc/13/64/93/557136493.db2.gz IQIHMIJDTITJQK-UHFFFAOYSA-N 1 1 425.912 5.284 40 0 IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000216486113 557147845 /nfs/dbraw/zinc/14/78/45/557147845.db2.gz IYIXVTBZJZVIPH-UHFFFAOYSA-N 1 1 443.572 5.282 40 0 IKABMO C[C@H](c1ccccc1)[N@H+]1C[C@H](c2ccccc2)[C@H]2C(=O)CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000095951559 557162297 /nfs/dbraw/zinc/16/22/97/557162297.db2.gz PNEZUKVPMORBBH-CDLYNWKESA-N 1 1 434.580 5.042 40 0 IKABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3)o2)CC1 ZINC000057312951 557238683 /nfs/dbraw/zinc/23/86/83/557238683.db2.gz PDFOEYLATMNPOZ-WYMLVPIESA-N 1 1 435.955 5.394 40 0 IKABMO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000219419582 557243941 /nfs/dbraw/zinc/24/39/41/557243941.db2.gz GMPUTOBHQCQQBL-UHFFFAOYSA-N 1 1 447.450 6.078 40 0 IKABMO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000219423688 557244285 /nfs/dbraw/zinc/24/42/85/557244285.db2.gz FEXYSHQSDLWIND-UHFFFAOYSA-N 1 1 430.995 5.564 40 0 IKABMO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774855 557264735 /nfs/dbraw/zinc/26/47/35/557264735.db2.gz PTWPLXVMNNTQFN-JTHBVZDNSA-N 1 1 428.020 5.773 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064596 557279155 /nfs/dbraw/zinc/27/91/55/557279155.db2.gz CPYMMGDOSLCECN-DEOSSOPVSA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064596 557279156 /nfs/dbraw/zinc/27/91/56/557279156.db2.gz CPYMMGDOSLCECN-DEOSSOPVSA-N 1 1 448.615 5.142 40 0 IKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500135 557324045 /nfs/dbraw/zinc/32/40/45/557324045.db2.gz VOVWKJUKKGOZLP-XMMPIXPASA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501067 557324384 /nfs/dbraw/zinc/32/43/84/557324384.db2.gz QUSOATSFHYBNDL-QHCPKHFHSA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501067 557324387 /nfs/dbraw/zinc/32/43/87/557324387.db2.gz QUSOATSFHYBNDL-QHCPKHFHSA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501159 557324775 /nfs/dbraw/zinc/32/47/75/557324775.db2.gz ZQZXLQCLQKDLIS-DEOSSOPVSA-N 1 1 448.615 5.224 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215589 557342224 /nfs/dbraw/zinc/34/22/24/557342224.db2.gz KXFUMLGRZSUDOC-XMMPIXPASA-N 1 1 435.612 6.493 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072215851 557342558 /nfs/dbraw/zinc/34/25/58/557342558.db2.gz ULMZNUYWPVPWSI-DEOSSOPVSA-N 1 1 429.564 6.492 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072215888 557342954 /nfs/dbraw/zinc/34/29/54/557342954.db2.gz SCNSJQWOKIFVGL-VWLOTQADSA-N 1 1 443.591 6.882 40 0 IKABMO FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000013561714 557352051 /nfs/dbraw/zinc/35/20/51/557352051.db2.gz YOZBPXPDLZJNFC-UHFFFAOYSA-N 1 1 429.273 5.594 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)c(C)c1 ZINC000222691054 557374774 /nfs/dbraw/zinc/37/47/74/557374774.db2.gz GDGICNQXKQCFPJ-JOCHJYFZSA-N 1 1 449.422 5.790 40 0 IKABMO Cn1cc(CCC(=O)NCc2ccc([C@@H]3CCC[N@H+]3C3CCCCC3)nc2)c2ccccc21 ZINC000072355724 557387486 /nfs/dbraw/zinc/38/74/86/557387486.db2.gz FSLNXRHNMZLQBR-MHZLTWQESA-N 1 1 444.623 5.292 40 0 IKABMO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000222800308 557387886 /nfs/dbraw/zinc/38/78/86/557387886.db2.gz IUIQSQOTFCAZQD-UHFFFAOYSA-N 1 1 427.375 5.675 40 0 IKABMO Cc1cc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000222844966 557393077 /nfs/dbraw/zinc/39/30/77/557393077.db2.gz SOSACDURFIGANP-NRFANRHFSA-N 1 1 448.994 5.350 40 0 IKABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)C(c1ccccc1)c1ccccc1 ZINC000222936527 557405555 /nfs/dbraw/zinc/40/55/55/557405555.db2.gz BWDZVCPQAOASSY-UHFFFAOYSA-N 1 1 429.951 5.639 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223008488 557414692 /nfs/dbraw/zinc/41/46/92/557414692.db2.gz PAIPYOIFEBXJIQ-QGZVFWFLSA-N 1 1 428.979 5.447 40 0 IKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019359 557416124 /nfs/dbraw/zinc/41/61/24/557416124.db2.gz HQPFIWZAGUNCAC-GDLZYMKVSA-N 1 1 438.615 6.005 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000223104607 557431815 /nfs/dbraw/zinc/43/18/15/557431815.db2.gz SBOVOMRYOLHVNH-VWLOTQADSA-N 1 1 443.006 5.837 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224667 557448015 /nfs/dbraw/zinc/44/80/15/557448015.db2.gz MCUBGQYNUMSCLK-MRXNPFEDSA-N 1 1 431.407 5.572 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224805 557448071 /nfs/dbraw/zinc/44/80/71/557448071.db2.gz ASHXNSZMGWXFLS-MRXNPFEDSA-N 1 1 431.407 5.572 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224859 557448082 /nfs/dbraw/zinc/44/80/82/557448082.db2.gz ASHXNSZMGWXFLS-INIZCTEOSA-N 1 1 431.407 5.572 40 0 IKABMO CC(C)(C)c1ccccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014666391 557449035 /nfs/dbraw/zinc/44/90/35/557449035.db2.gz ZHWMLXJDZJXTFE-UHFFFAOYSA-N 1 1 442.603 5.297 40 0 IKABMO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000223319723 557458799 /nfs/dbraw/zinc/45/87/99/557458799.db2.gz NROLEWQYJSTHOJ-UHFFFAOYSA-N 1 1 447.391 5.363 40 0 IKABMO O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223416010 557469504 /nfs/dbraw/zinc/46/95/04/557469504.db2.gz ITRSSSRVMCSTPF-UHFFFAOYSA-N 1 1 433.555 5.483 40 0 IKABMO CCCc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000223416445 557469521 /nfs/dbraw/zinc/46/95/21/557469521.db2.gz UBHICXIICHJRIW-UHFFFAOYSA-N 1 1 428.576 5.006 40 0 IKABMO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1Cl ZINC000016688082 557475447 /nfs/dbraw/zinc/47/54/47/557475447.db2.gz PEUVTYMYYOCIOM-UHFFFAOYSA-N 1 1 433.571 5.554 40 0 IKABMO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000223470538 557475613 /nfs/dbraw/zinc/47/56/13/557475613.db2.gz NXQZFEKJOMZHPR-GOSISDBHSA-N 1 1 433.423 6.008 40 0 IKABMO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1C ZINC000223470874 557475848 /nfs/dbraw/zinc/47/58/48/557475848.db2.gz KZZCTQOJQMHRCB-IBGZPJMESA-N 1 1 443.429 5.464 40 0 IKABMO O=C(/C=C/c1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000017097756 557480016 /nfs/dbraw/zinc/48/00/16/557480016.db2.gz YMCVVFPKJBNBHK-XNTDXEJSSA-N 1 1 431.967 5.314 40 0 IKABMO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000223626106 557493533 /nfs/dbraw/zinc/49/35/33/557493533.db2.gz BWSBQJWFQJPNTE-UHFFFAOYSA-N 1 1 440.946 5.040 40 0 IKABMO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000223837567 557519132 /nfs/dbraw/zinc/51/91/32/557519132.db2.gz MNHSABRGPDBSLA-UHFFFAOYSA-N 1 1 432.967 5.010 40 0 IKABMO C[C@H](SCc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238771 557519180 /nfs/dbraw/zinc/51/91/80/557519180.db2.gz HKTBPOIRHPOYDH-QFIPXVFZSA-N 1 1 430.617 5.242 40 0 IKABMO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000224028072 557547405 /nfs/dbraw/zinc/54/74/05/557547405.db2.gz HVOHPFUHLQOIEJ-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000224094825 557559955 /nfs/dbraw/zinc/55/99/55/557559955.db2.gz BTGDNVZHBAUPSM-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224537999 557618194 /nfs/dbraw/zinc/61/81/94/557618194.db2.gz KMCNOPJMRCHJJL-UHFFFAOYSA-N 1 1 441.786 5.054 40 0 IKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000224539082 557618340 /nfs/dbraw/zinc/61/83/40/557618340.db2.gz KGGZNQCONWWSMA-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542086 557619059 /nfs/dbraw/zinc/61/90/59/557619059.db2.gz OKKDBWKLKXAQCL-UHFFFAOYSA-N 1 1 425.787 5.218 40 0 IKABMO O=C(Nc1ccc(Cc2ccncc2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224550013 557621185 /nfs/dbraw/zinc/62/11/85/557621185.db2.gz ICSSJYGAZXZJMU-UHFFFAOYSA-N 1 1 437.946 5.316 40 0 IKABMO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000224896804 557664250 /nfs/dbraw/zinc/66/42/50/557664250.db2.gz AJQSDMPIZMUFAF-UHFFFAOYSA-N 1 1 430.829 5.228 40 0 IKABMO CC(C)n1c(=O)sc2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000225174811 557696315 /nfs/dbraw/zinc/69/63/15/557696315.db2.gz UFHSYTSSRRAVJV-QGZVFWFLSA-N 1 1 444.000 5.148 40 0 IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225457242 557725107 /nfs/dbraw/zinc/72/51/07/557725107.db2.gz NTJAVFBIMGQMTO-UHFFFAOYSA-N 1 1 444.629 5.960 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCC2)c1 ZINC000225510374 557732385 /nfs/dbraw/zinc/73/23/85/557732385.db2.gz WLPYOVNXHPVZNT-QHCPKHFHSA-N 1 1 434.624 6.089 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCC2)c1 ZINC000225510319 557732426 /nfs/dbraw/zinc/73/24/26/557732426.db2.gz WAJXKRLOBJUVNC-HSZRJFAPSA-N 1 1 434.624 5.946 40 0 IKABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520366 557734625 /nfs/dbraw/zinc/73/46/25/557734625.db2.gz DAORLQFLBGZIGM-OYRHEFFESA-N 1 1 438.587 5.633 40 0 IKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)C1 ZINC000225523054 557735388 /nfs/dbraw/zinc/73/53/88/557735388.db2.gz DMXWAJATHBWBCZ-HXUWFJFHSA-N 1 1 441.015 5.901 40 0 IKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCC3)cc2)C1 ZINC000225526128 557736255 /nfs/dbraw/zinc/73/62/55/557736255.db2.gz SHKKMHGPFWFQNX-FQEVSTJZSA-N 1 1 441.015 5.901 40 0 IKABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534358 557738064 /nfs/dbraw/zinc/73/80/64/557738064.db2.gz ZNYUPJLFAQHRGR-ZRZAMGCNSA-N 1 1 434.624 5.884 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCCCC2)cc1 ZINC000225542451 557739279 /nfs/dbraw/zinc/73/92/79/557739279.db2.gz VHWFFEJZKAJDRV-PSWAGMNNSA-N 1 1 448.651 6.192 40 0 IKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)C1 ZINC000225545048 557739609 /nfs/dbraw/zinc/73/96/09/557739609.db2.gz DDLCFBIWMRRYQP-OAQYLSRUSA-N 1 1 438.587 5.777 40 0 IKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561890 557742627 /nfs/dbraw/zinc/74/26/27/557742627.db2.gz DPHHZVIOMWBTIG-QFIPXVFZSA-N 1 1 436.596 5.017 40 0 IKABMO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)s2)cc1 ZINC000225576140 557745633 /nfs/dbraw/zinc/74/56/33/557745633.db2.gz PHJSLTFGUOEECV-UHFFFAOYSA-N 1 1 444.963 5.157 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(C(C)(C)C)cc1 ZINC000225581851 557746583 /nfs/dbraw/zinc/74/65/83/557746583.db2.gz WVBPMOLPFYPIAW-KRWDZBQOSA-N 1 1 430.995 5.866 40 0 IKABMO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225583581 557747072 /nfs/dbraw/zinc/74/70/72/557747072.db2.gz LLAGUNCEGGYMJY-XMMPIXPASA-N 1 1 446.994 5.603 40 0 IKABMO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586879 557747911 /nfs/dbraw/zinc/74/79/11/557747911.db2.gz WIAQNNBEQVJCKB-SFHVURJKSA-N 1 1 430.995 5.564 40 0 IKABMO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225591220 557748640 /nfs/dbraw/zinc/74/86/40/557748640.db2.gz SJHMCQNQZVJXRV-UHFFFAOYSA-N 1 1 428.857 5.026 40 0 IKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225652141 557757288 /nfs/dbraw/zinc/75/72/88/557757288.db2.gz SOJFYOFWYWWYNK-BKMJKUGQSA-N 1 1 432.649 6.034 40 0 IKABMO COc1cc(C)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(C)C ZINC000225660085 557758399 /nfs/dbraw/zinc/75/83/99/557758399.db2.gz NQPBTVPTLBGERI-UHFFFAOYSA-N 1 1 442.603 5.674 40 0 IKABMO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000225701283 557766438 /nfs/dbraw/zinc/76/64/38/557766438.db2.gz AHKLSYCRGKXYAO-UHFFFAOYSA-N 1 1 445.312 5.541 40 0 IKABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 ZINC000225728486 557769812 /nfs/dbraw/zinc/76/98/12/557769812.db2.gz RIBFBARKFQIBKY-BGYRXZFFSA-N 1 1 427.683 5.633 40 0 IKABMO S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225743027 557771695 /nfs/dbraw/zinc/77/16/95/557771695.db2.gz GEHCDPHVGVFYHX-UHFFFAOYSA-N 1 1 447.673 5.714 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)C1 ZINC000225763390 557774184 /nfs/dbraw/zinc/77/41/84/557774184.db2.gz HURFJMISNISYQY-QGZVFWFLSA-N 1 1 438.622 5.315 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)C1 ZINC000225763416 557774191 /nfs/dbraw/zinc/77/41/91/557774191.db2.gz HURFJMISNISYQY-KRWDZBQOSA-N 1 1 438.622 5.315 40 0 IKABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225780174 557777229 /nfs/dbraw/zinc/77/72/29/557777229.db2.gz OXQWLNDVTPDXAO-UHFFFAOYSA-N 1 1 434.967 5.097 40 0 IKABMO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909830 557791081 /nfs/dbraw/zinc/79/10/81/557791081.db2.gz WBRLXNQZWKEWDT-LJQANCHMSA-N 1 1 427.375 5.675 40 0 IKABMO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909830 557791084 /nfs/dbraw/zinc/79/10/84/557791084.db2.gz WBRLXNQZWKEWDT-LJQANCHMSA-N 1 1 427.375 5.675 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3cccc(C)c3)CC2)sc1CCOc1ccccc1 ZINC000019738685 568752576 /nfs/dbraw/zinc/75/25/76/568752576.db2.gz MNWPCSXQDYHAME-SANMLTNESA-N 1 1 436.621 5.255 40 0 IKABMO C[C@@H]1CCCC[N@H+]1Cc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000216839310 568862704 /nfs/dbraw/zinc/86/27/04/568862704.db2.gz LBYYUHPIBJSMIJ-CQSZACIVSA-N 1 1 432.305 5.474 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 ZINC000216839422 568862791 /nfs/dbraw/zinc/86/27/91/568862791.db2.gz NPYSVZZOKJPIKE-AWEZNQCLSA-N 1 1 432.305 5.331 40 0 IKABMO O=C(c1cc2ccccc2cc1O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100358 568872791 /nfs/dbraw/zinc/87/27/91/568872791.db2.gz INILVMLDFSZBHZ-MHZLTWQESA-N 1 1 432.539 5.345 40 0 IKABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4nccc5ccccc54)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000585261478 568873654 /nfs/dbraw/zinc/87/36/54/568873654.db2.gz YGYRTBYLHDXKKV-LGUFPPMKSA-N 1 1 439.603 5.324 40 0 IKABMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccc(Cl)cc2)[C@H]1O ZINC000585263555 568873664 /nfs/dbraw/zinc/87/36/64/568873664.db2.gz JVYNBRIMELPFKE-QKDODKLFSA-N 1 1 435.011 5.366 40 0 IKABMO CN(Cc1ccccc1)[C@H]1CC[C@H]([N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)[C@H]1O ZINC000585263555 568873665 /nfs/dbraw/zinc/87/36/65/568873665.db2.gz JVYNBRIMELPFKE-QKDODKLFSA-N 1 1 435.011 5.366 40 0 IKABMO CN(Cc1ccccc1)[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)[C@H]1O ZINC000585263555 568873666 /nfs/dbraw/zinc/87/36/66/568873666.db2.gz JVYNBRIMELPFKE-QKDODKLFSA-N 1 1 435.011 5.366 40 0 IKABMO FC(F)(F)c1nc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)n2)no1 ZINC000585266372 568874533 /nfs/dbraw/zinc/87/45/33/568874533.db2.gz UXBQWPCVZLDZCW-INIZCTEOSA-N 1 1 439.441 5.078 40 0 IKABMO O=C(CN(c1ccc2c(c1)OCO2)C1=[NH+]CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000016768982 569161474 /nfs/dbraw/zinc/16/14/74/569161474.db2.gz YWJMZZXBSHZUNU-UHFFFAOYSA-N 1 1 426.516 5.744 40 0 IKABMO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000008479562 569218849 /nfs/dbraw/zinc/21/88/49/569218849.db2.gz XVUCDWDLMKVKNY-HSZRJFAPSA-N 1 1 428.576 5.005 40 0 IKABMO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000008479559 569218926 /nfs/dbraw/zinc/21/89/26/569218926.db2.gz XVUCDWDLMKVKNY-QHCPKHFHSA-N 1 1 428.576 5.005 40 0 IKABMO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000008499346 569218970 /nfs/dbraw/zinc/21/89/70/569218970.db2.gz DCXZSCFRBFVPAR-QHCPKHFHSA-N 1 1 428.576 5.005 40 0 IKABMO CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009062763 569219622 /nfs/dbraw/zinc/21/96/22/569219622.db2.gz RJSSSYNUMDKWNE-UHFFFAOYSA-N 1 1 446.994 5.227 40 0 IKABMO O=C(Nc1ccc(Br)cc1F)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063718 569219891 /nfs/dbraw/zinc/21/98/91/569219891.db2.gz UKGMNPXXYASSAA-UHFFFAOYSA-N 1 1 443.719 5.231 40 0 IKABMO Cc1c(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000019220505 569226069 /nfs/dbraw/zinc/22/60/69/569226069.db2.gz ZNZQAZSAOJYLLX-NBGIEHNGSA-N 1 1 433.596 5.560 40 0 IKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019014385 569226148 /nfs/dbraw/zinc/22/61/48/569226148.db2.gz JOEJFBSVOQAJAR-WLVXRYDHSA-N 1 1 431.624 5.635 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 ZINC000019290447 569226347 /nfs/dbraw/zinc/22/63/47/569226347.db2.gz VRDNAAHOVQVDHB-RBISFHTESA-N 1 1 444.623 5.223 40 0 IKABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019450630 569226579 /nfs/dbraw/zinc/22/65/79/569226579.db2.gz PFRUPJQXTWCCGR-PXDATVDWSA-N 1 1 449.620 5.314 40 0 IKABMO CC[N@@H+](CCc1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712688 569235260 /nfs/dbraw/zinc/23/52/60/569235260.db2.gz ZRAZFDACZLRQMG-PKTZIBPZSA-N 1 1 435.593 5.180 40 0 IKABMO O=C1CCC[C@@H]2[C@H](C[C@H](c3ccc(C(F)(F)F)cc3)[N@@H+]2Cc2ccc3ncccc3c2)N1 ZINC000019713890 569235773 /nfs/dbraw/zinc/23/57/73/569235773.db2.gz AVYOZBNFVOQQIL-YTFSRNRJSA-N 1 1 439.481 5.238 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2-c2ccccc2F)ncc1C(=O)N(C)C ZINC000019765625 569238974 /nfs/dbraw/zinc/23/89/74/569238974.db2.gz JCNDAXSUNDQTOT-DEOSSOPVSA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2-c2ccccc2F)ncc1C(=O)N(C)C ZINC000019765625 569238975 /nfs/dbraw/zinc/23/89/75/569238975.db2.gz JCNDAXSUNDQTOT-DEOSSOPVSA-N 1 1 432.543 5.020 40 0 IKABMO CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc21 ZINC000257199327 569275435 /nfs/dbraw/zinc/27/54/35/569275435.db2.gz ZSAFBTBLHQRTRB-NANZAVOOSA-N 1 1 445.651 5.576 40 0 IKABMO CCc1c(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NC)C2)c2ccccc2n1C ZINC000257202647 569275648 /nfs/dbraw/zinc/27/56/48/569275648.db2.gz AMSSARRNGSKDOJ-KRWDZBQOSA-N 1 1 431.605 5.305 40 0 IKABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cn(C(C)C)c3ccccc23)C1 ZINC000257206090 569275774 /nfs/dbraw/zinc/27/57/74/569275774.db2.gz BBUQVGSCWZCUKA-SFHVURJKSA-N 1 1 431.605 5.786 40 0 IKABMO CC(C)c1ccc(CN(Cc2ccccc2)[C@H]2CC[C@H]([N@@H+](C)Cc3ccccc3)[C@@H]2O)cc1 ZINC000257208028 569275840 /nfs/dbraw/zinc/27/58/40/569275840.db2.gz BKIPAHDOFLGODR-DTXPUJKBSA-N 1 1 442.647 5.836 40 0 IKABMO CC(C)c1ccc(C[N@H+](Cc2ccccc2)[C@H]2CC[C@H](N(C)Cc3ccccc3)[C@@H]2O)cc1 ZINC000257208028 569275842 /nfs/dbraw/zinc/27/58/42/569275842.db2.gz BKIPAHDOFLGODR-DTXPUJKBSA-N 1 1 442.647 5.836 40 0 IKABMO CC(C)c1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H](N(C)Cc3ccccc3)[C@@H]2O)cc1 ZINC000257208028 569275844 /nfs/dbraw/zinc/27/58/44/569275844.db2.gz BKIPAHDOFLGODR-DTXPUJKBSA-N 1 1 442.647 5.836 40 0 IKABMO CC(C)n1c(C[N@H+]2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc2ccccc21 ZINC000257212046 569275905 /nfs/dbraw/zinc/27/59/05/569275905.db2.gz CBRTWPHQYDOXMV-HSZRJFAPSA-N 1 1 442.582 6.122 40 0 IKABMO CCc1cccc2c(C[N@H+]3CC[C@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c21 ZINC000257216306 569276004 /nfs/dbraw/zinc/27/60/04/569276004.db2.gz CTXNLHSMVLBPPF-IBGZPJMESA-N 1 1 445.632 5.647 40 0 IKABMO CCC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257224431 569276380 /nfs/dbraw/zinc/27/63/80/569276380.db2.gz FBUACXSRLZCZSE-UHFFFAOYSA-N 1 1 426.645 5.791 40 0 IKABMO Cc1csc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)n1 ZINC000257229504 569276431 /nfs/dbraw/zinc/27/64/31/569276431.db2.gz FYIQJPIOCUYJJH-QGZVFWFLSA-N 1 1 446.580 5.103 40 0 IKABMO Cc1csc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)n1 ZINC000257229503 569276445 /nfs/dbraw/zinc/27/64/45/569276445.db2.gz FYIQJPIOCUYJJH-KRWDZBQOSA-N 1 1 446.580 5.103 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(Cc3cccc(OC)c3)cn2)c2ccc(F)cc21 ZINC000257237602 569276777 /nfs/dbraw/zinc/27/67/77/569276777.db2.gz HHFSUZPWDDYIEG-MHZLTWQESA-N 1 1 443.566 6.132 40 0 IKABMO Cc1cc2ccccc2n1CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000257244957 569276930 /nfs/dbraw/zinc/27/69/30/569276930.db2.gz INLXLADZMCDXMY-SANMLTNESA-N 1 1 430.596 5.131 40 0 IKABMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1 ZINC000257249064 569277040 /nfs/dbraw/zinc/27/70/40/569277040.db2.gz JGNXUEKNUHRABT-UHFFFAOYSA-N 1 1 447.558 5.048 40 0 IKABMO COc1ccc2c(C[N@H+]3CCC[C@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1 ZINC000257269054 569277492 /nfs/dbraw/zinc/27/74/92/569277492.db2.gz MOJUJYWNUJEASP-QFIPXVFZSA-N 1 1 443.566 5.691 40 0 IKABMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2Cl)[C@H]1O ZINC000257269449 569277510 /nfs/dbraw/zinc/27/75/10/569277510.db2.gz MPYNNIKMRHOWDB-QKDODKLFSA-N 1 1 435.011 5.366 40 0 IKABMO CC(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257282691 569277890 /nfs/dbraw/zinc/27/78/90/569277890.db2.gz OUVMWSQKYRUXQB-AVRDEDQJSA-N 1 1 434.411 5.647 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4oc5ccccc5c4C)CCO3)c2)s1 ZINC000257282585 569277905 /nfs/dbraw/zinc/27/79/05/569277905.db2.gz OUJUNOARMRDOBZ-NRFANRHFSA-N 1 1 448.548 5.167 40 0 IKABMO O=C1CCC[C@]2(C[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257282219 569278015 /nfs/dbraw/zinc/27/80/15/569278015.db2.gz OSXWJFDCTRLAAJ-RBJSKKJNSA-N 1 1 444.525 5.174 40 0 IKABMO COc1cccc2cc(C[N@H+]3CC[C@H](c4c5ccccc5sc4C(=O)N(C)C)C3)oc21 ZINC000257291280 569278210 /nfs/dbraw/zinc/27/82/10/569278210.db2.gz QGIWTMZVNLKQCK-KRWDZBQOSA-N 1 1 434.561 5.347 40 0 IKABMO O[C@@H]1[C@H](NCc2ccccc2)CCCC[C@H]1[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000257300133 569278582 /nfs/dbraw/zinc/27/85/82/569278582.db2.gz RTALXBPVOXTGKA-JCYYIGJDSA-N 1 1 449.038 5.804 40 0 IKABMO O[C@@H]1[C@H](NCc2ccccc2)CCCC[C@H]1[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000257300133 569278583 /nfs/dbraw/zinc/27/85/83/569278583.db2.gz RTALXBPVOXTGKA-JCYYIGJDSA-N 1 1 449.038 5.804 40 0 IKABMO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257314633 569279013 /nfs/dbraw/zinc/27/90/13/569279013.db2.gz UXUACZUUINLYNJ-UHFFFAOYSA-N 1 1 425.536 5.072 40 0 IKABMO Cc1ccccc1C[N@H+]1CCC[C@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000257323948 569279231 /nfs/dbraw/zinc/27/92/31/569279231.db2.gz WMNVHPLBAPYRQN-QFIPXVFZSA-N 1 1 446.570 5.102 40 0 IKABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4oc5ccccc5c4C)CCO3)c2)n1 ZINC000257328796 569279382 /nfs/dbraw/zinc/27/93/82/569279382.db2.gz XHDSWLPHIWDSBW-OAQYLSRUSA-N 1 1 448.548 5.167 40 0 IKABMO CC(C)=CCOc1cc2c(cc1C[N@@H+](C)Cc1ccccc1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 ZINC000257336694 569279626 /nfs/dbraw/zinc/27/96/26/569279626.db2.gz YPPOUPVITVBJKN-HPKXWHFBSA-N 1 1 449.635 6.691 40 0 IKABMO CC(C)n1c(C[N@H+]2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc2ccccc21 ZINC000257339170 569279680 /nfs/dbraw/zinc/27/96/80/569279680.db2.gz ZAMAXNDJDIBMRI-QHCPKHFHSA-N 1 1 442.582 6.122 40 0 IKABMO O=C1CCC[C@]2(C[N@H+](Cc3cccc(-c4ccccc4)c3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257341999 569279826 /nfs/dbraw/zinc/27/98/26/569279826.db2.gz ZMRIOFPKTLSGHU-WNCULLNHSA-N 1 1 432.514 5.270 40 0 IKABMO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 ZINC000260830840 569281848 /nfs/dbraw/zinc/28/18/48/569281848.db2.gz UHAJYWMXWKZCCQ-HOCLYGCPSA-N 1 1 425.787 5.736 40 0 IKABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 ZINC000260830840 569281849 /nfs/dbraw/zinc/28/18/49/569281849.db2.gz UHAJYWMXWKZCCQ-HOCLYGCPSA-N 1 1 425.787 5.736 40 0 IKABMO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000260833573 569281853 /nfs/dbraw/zinc/28/18/53/569281853.db2.gz ZEVNGPVGDXOFLX-PBHICJAKSA-N 1 1 425.787 5.736 40 0 IKABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000260833573 569281855 /nfs/dbraw/zinc/28/18/55/569281855.db2.gz ZEVNGPVGDXOFLX-PBHICJAKSA-N 1 1 425.787 5.736 40 0 IKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816960 569281885 /nfs/dbraw/zinc/28/18/85/569281885.db2.gz SOJFYOFWYWWYNK-GJZUVCINSA-N 1 1 432.649 6.034 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260818210 569281893 /nfs/dbraw/zinc/28/18/93/569281893.db2.gz XUAOYKPJHRETSU-XLGIIRLISA-N 1 1 430.633 5.644 40 0 IKABMO Brc1ccc2c(c1)CN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)CC2 ZINC000329014815 569285446 /nfs/dbraw/zinc/28/54/46/569285446.db2.gz MYSOPQLGVPASAO-UHFFFAOYSA-N 1 1 427.390 5.424 40 0 IKABMO Brc1ccc2c(c1)CN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)CC2 ZINC000329014815 569285447 /nfs/dbraw/zinc/28/54/47/569285447.db2.gz MYSOPQLGVPASAO-UHFFFAOYSA-N 1 1 427.390 5.424 40 0 IKABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329051903 569285540 /nfs/dbraw/zinc/28/55/40/569285540.db2.gz UYUJVNCREVXDHX-UHFFFAOYSA-N 1 1 440.469 5.427 40 0 IKABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329051903 569285541 /nfs/dbraw/zinc/28/55/41/569285541.db2.gz UYUJVNCREVXDHX-UHFFFAOYSA-N 1 1 440.469 5.427 40 0 IKABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)c1 ZINC000019689521 569326447 /nfs/dbraw/zinc/32/64/47/569326447.db2.gz GNGMYYMCVGYKLI-RUZDIDTESA-N 1 1 439.563 5.104 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccc(F)cc3)CC2)sc1CCOc1ccccc1 ZINC000019705451 569327571 /nfs/dbraw/zinc/32/75/71/569327571.db2.gz SFGSWXKYYIXOGA-VWLOTQADSA-N 1 1 440.584 5.086 40 0 IKABMO COc1ccccc1-c1ccc(C[N@@H+]2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)cc1 ZINC000019713919 569327819 /nfs/dbraw/zinc/32/78/19/569327819.db2.gz LICJUHANAVQSES-JIMJEQGWSA-N 1 1 426.560 5.347 40 0 IKABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075652 520713656 /nfs/dbraw/zinc/71/36/56/520713656.db2.gz CNWTYADZZDATSN-UHFFFAOYSA-N 1 1 425.400 5.403 40 0 IKABMO CCOc1cc(CNCC[NH+](CC)CC)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075393 520714576 /nfs/dbraw/zinc/71/45/76/520714576.db2.gz HKRJXCVWVPQNLD-UHFFFAOYSA-N 1 1 425.400 5.403 40 0 IKABMO CC[C@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020493527 522881339 /nfs/dbraw/zinc/88/13/39/522881339.db2.gz CLTQCETXPRHVKT-SANMLTNESA-N 1 1 442.603 5.395 40 0 IKABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020459754 523018907 /nfs/dbraw/zinc/01/89/07/523018907.db2.gz ARXZWIDUPRWYQG-QFIPXVFZSA-N 1 1 426.626 5.242 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)C1 ZINC000020488040 524233953 /nfs/dbraw/zinc/23/39/53/524233953.db2.gz TVEDREBYEGQEJI-QGZVFWFLSA-N 1 1 435.008 5.374 40 0 IKABMO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020454084 524249724 /nfs/dbraw/zinc/24/97/24/524249724.db2.gz ISNMYHVHEBKZRN-DEOSSOPVSA-N 1 1 442.603 5.313 40 0 IKABMO C[C@H](CN[C@H](Cc1ccccc1)c1ccccc1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000022580843 524503855 /nfs/dbraw/zinc/50/38/55/524503855.db2.gz TZTINWHNVDZMRN-NSQROVRMSA-N 1 1 434.627 6.522 40 0 IKABMO O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000012494837 527411899 /nfs/dbraw/zinc/41/18/99/527411899.db2.gz INPCWVIZDHNUGY-YQQQUEKLSA-N 1 1 435.465 5.552 40 0 IKABMO CC[NH+]1CCN(C(=S)c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)CC1 ZINC000408571969 555915307 /nfs/dbraw/zinc/91/53/07/555915307.db2.gz DOGLHHYIYGHGSK-UHFFFAOYSA-N 1 1 443.827 5.539 40 0 IKABMO CCCCN(CCCC)CC(C[NH+](CCCC)CCCC)OC(=O)Nc1ccccc1 ZINC000004778083 556011519 /nfs/dbraw/zinc/01/15/19/556011519.db2.gz MBSNCDFUFRHARJ-UHFFFAOYSA-N 1 1 433.681 6.408 40 0 IKABMO C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C[N@@H+]1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000005759393 556064914 /nfs/dbraw/zinc/06/49/14/556064914.db2.gz KZASEJMAAFUHML-VLEHOIQBSA-N 1 1 425.572 5.312 40 0 IKABMO C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C[N@H+]1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000005759393 556064919 /nfs/dbraw/zinc/06/49/19/556064919.db2.gz KZASEJMAAFUHML-VLEHOIQBSA-N 1 1 425.572 5.312 40 0 IKABMO C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[N@@H+]1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000005759394 556064953 /nfs/dbraw/zinc/06/49/53/556064953.db2.gz KZASEJMAAFUHML-GCUOOXHYSA-N 1 1 425.572 5.312 40 0 IKABMO C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[N@H+]1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000005759394 556064957 /nfs/dbraw/zinc/06/49/57/556064957.db2.gz KZASEJMAAFUHML-GCUOOXHYSA-N 1 1 425.572 5.312 40 0 IKABMO CC[NH+](CC)CC[C@@H](CNc1c(C)cnc2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000008603357 556191025 /nfs/dbraw/zinc/19/10/25/556191025.db2.gz BEHRYSUQMOVSKT-IBGZPJMESA-N 1 1 430.423 6.778 40 0 IKABMO CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014022914 556357187 /nfs/dbraw/zinc/35/71/87/556357187.db2.gz OCGLDTBMLCEDND-SANMLTNESA-N 1 1 428.576 5.086 40 0 IKABMO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039761252 556436363 /nfs/dbraw/zinc/43/63/63/556436363.db2.gz WSDDDHOTEZEEHP-UHFFFAOYSA-N 1 1 446.950 5.287 40 0 IKABMO O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039757910 556441566 /nfs/dbraw/zinc/44/15/66/556441566.db2.gz XZZAHSCQZFPBKH-UHFFFAOYSA-N 1 1 436.958 5.597 40 0 IKABMO C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000029590275 556478247 /nfs/dbraw/zinc/47/82/47/556478247.db2.gz ACKAQJBYLPLIOW-QFIPXVFZSA-N 1 1 447.003 6.579 40 0 in-vitro IKABMO CC[C@H]1c2c(cc(OC)c(O)c2Oc2cc3c(cc2OC)CC[N@@H+](C)[C@H]3CC)CCN1C ZINC000013407299 556504889 /nfs/dbraw/zinc/50/48/89/556504889.db2.gz BOXBKGGQZPGMRE-PMACEKPBSA-N 1 1 440.584 5.080 40 0 IKABMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000030938713 556515592 /nfs/dbraw/zinc/51/55/92/556515592.db2.gz PMVLIBXKTDLGTQ-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000030940213 556515934 /nfs/dbraw/zinc/51/59/34/556515934.db2.gz BXPBBSZYBHZIKL-UHFFFAOYSA-N 1 1 431.374 5.087 40 0 IKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030943145 556516549 /nfs/dbraw/zinc/51/65/49/556516549.db2.gz YIDYTNLZSCERGY-OAQYLSRUSA-N 1 1 432.951 5.422 40 0 IKABMO COc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016228259 556593481 /nfs/dbraw/zinc/59/34/81/556593481.db2.gz QVUZYONRHBXESF-UHFFFAOYSA-N 1 1 436.766 6.524 40 0 IKABMO O=C(C[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000016477304 556611001 /nfs/dbraw/zinc/61/10/01/556611001.db2.gz FOJZLNSBARGTIK-XMMPIXPASA-N 1 1 439.386 6.130 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038834719 556622755 /nfs/dbraw/zinc/62/27/55/556622755.db2.gz USBNTOHYGQVKKU-UHFFFAOYSA-N 1 1 441.291 5.319 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834715 556622788 /nfs/dbraw/zinc/62/27/88/556622788.db2.gz TXJSLHYGTYPOBI-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834599 556622828 /nfs/dbraw/zinc/62/28/28/556622828.db2.gz SYZJMUQWADGIGE-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038835030 556623032 /nfs/dbraw/zinc/62/30/32/556623032.db2.gz VBMSVOSOJLQGGU-UHFFFAOYSA-N 1 1 442.184 5.607 40 0 IKABMO O=C(NCCSCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038848528 556623707 /nfs/dbraw/zinc/62/37/07/556623707.db2.gz RPPDREOVHBIOAY-LJQANCHMSA-N 1 1 437.436 5.255 40 0 IKABMO O=C(NCCSCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038848527 556623734 /nfs/dbraw/zinc/62/37/34/556623734.db2.gz RPPDREOVHBIOAY-IBGZPJMESA-N 1 1 437.436 5.255 40 0 IKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000016681537 556623843 /nfs/dbraw/zinc/62/38/43/556623843.db2.gz ONUXYCXGCXKVLN-UHFFFAOYSA-N 1 1 444.362 5.648 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849404 556624012 /nfs/dbraw/zinc/62/40/12/556624012.db2.gz HBAMBDYHLFKXKG-UHFFFAOYSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849392 556624055 /nfs/dbraw/zinc/62/40/55/556624055.db2.gz XHPWJBOKMFNLFD-ZDUSSCGKSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849392 556624057 /nfs/dbraw/zinc/62/40/57/556624057.db2.gz XHPWJBOKMFNLFD-ZDUSSCGKSA-N 1 1 427.759 5.506 40 0 IKABMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849805 556624506 /nfs/dbraw/zinc/62/45/06/556624506.db2.gz MHSZOVBQQVVWJW-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849804 556624517 /nfs/dbraw/zinc/62/45/17/556624517.db2.gz AHPPZAWNKLKFIE-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038850634 556624522 /nfs/dbraw/zinc/62/45/22/556624522.db2.gz AJMSKNCBUMLIGH-JOCHJYFZSA-N 1 1 434.967 5.770 40 0 IKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000038851790 556625008 /nfs/dbraw/zinc/62/50/08/556625008.db2.gz YXCFBYGOCVXRJQ-UHFFFAOYSA-N 1 1 434.392 5.210 40 0 IKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(CCO)Cc2ccccc2)cc1 ZINC000016768319 556640103 /nfs/dbraw/zinc/64/01/03/556640103.db2.gz GCFSLZJSFDGIEV-UHFFFAOYSA-N 1 1 434.543 5.395 40 0 IKABMO CC(C)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768356 556640165 /nfs/dbraw/zinc/64/01/65/556640165.db2.gz ZBEDSQKWIFZLLE-UHFFFAOYSA-N 1 1 435.369 6.308 40 0 IKABMO CC[N@H+](CCO)[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000016943323 556649648 /nfs/dbraw/zinc/64/96/48/556649648.db2.gz OUUMPQIDYVRUGJ-LJAQVGFWSA-N 1 1 435.567 6.259 40 0 IKABMO CC[N@@H+](CCO)[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000016943323 556649653 /nfs/dbraw/zinc/64/96/53/556649653.db2.gz OUUMPQIDYVRUGJ-LJAQVGFWSA-N 1 1 435.567 6.259 40 0 IKABMO CCCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044851540 556670495 /nfs/dbraw/zinc/67/04/95/556670495.db2.gz TXMZLFPPONXGKV-JOCHJYFZSA-N 1 1 429.004 5.090 40 0 IKABMO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@H+]3CCc4ccccc4C3)cc1)CC(C)(C)O2 ZINC000044855280 556671309 /nfs/dbraw/zinc/67/13/09/556671309.db2.gz SIKJKYXOZMGNLB-SANMLTNESA-N 1 1 440.587 5.586 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1C ZINC000044856673 556672241 /nfs/dbraw/zinc/67/22/41/556672241.db2.gz ZHTGTJLSOFPEFX-QHCPKHFHSA-N 1 1 433.423 6.090 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)C1 ZINC000044905444 556679734 /nfs/dbraw/zinc/67/97/34/556679734.db2.gz LMQRHQDQQTWFEL-NRFANRHFSA-N 1 1 446.566 5.567 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906081 556679746 /nfs/dbraw/zinc/67/97/46/556679746.db2.gz BXTHCURROLJOFM-KRWDZBQOSA-N 1 1 447.450 6.380 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906087 556679754 /nfs/dbraw/zinc/67/97/54/556679754.db2.gz OELIFZZXEIJUFJ-QGZVFWFLSA-N 1 1 447.450 6.380 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906077 556679789 /nfs/dbraw/zinc/67/97/89/556679789.db2.gz HNLWXFFPIXCAFF-KRWDZBQOSA-N 1 1 447.450 6.380 40 0 IKABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044911475 556680942 /nfs/dbraw/zinc/68/09/42/556680942.db2.gz RCCNAYJTZCTUFA-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044911472 556681021 /nfs/dbraw/zinc/68/10/21/556681021.db2.gz MBNKTOKIPFCIKM-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044932227 556682096 /nfs/dbraw/zinc/68/20/96/556682096.db2.gz XWRGDRHEACHKLC-UHFFFAOYSA-N 1 1 435.395 5.309 40 0 IKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000044934940 556682454 /nfs/dbraw/zinc/68/24/54/556682454.db2.gz SVPFACAFZDWIRB-SFHVURJKSA-N 1 1 429.402 5.155 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)cc1 ZINC000044936325 556682584 /nfs/dbraw/zinc/68/25/84/556682584.db2.gz FHKFVPZKNLDARY-JOCHJYFZSA-N 1 1 435.395 5.482 40 0 IKABMO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000044936865 556682669 /nfs/dbraw/zinc/68/26/69/556682669.db2.gz MUKFJJUBBCCMBJ-QHCPKHFHSA-N 1 1 433.423 6.109 40 0 IKABMO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000044936876 556682700 /nfs/dbraw/zinc/68/27/00/556682700.db2.gz AACSPUKPGGYRBS-QHCPKHFHSA-N 1 1 433.423 6.109 40 0 IKABMO CCOC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)ccc1Cl ZINC000044939553 556683268 /nfs/dbraw/zinc/68/32/68/556683268.db2.gz MNWRMWDVXNKXFN-MRXNPFEDSA-N 1 1 435.351 5.021 40 0 IKABMO O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000045221319 556685596 /nfs/dbraw/zinc/68/55/96/556685596.db2.gz AQYFYVSNLJVOJX-UHFFFAOYSA-N 1 1 439.987 5.363 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081915 556696711 /nfs/dbraw/zinc/69/67/11/556696711.db2.gz WQCKZFODFKODBS-BKMJKUGQSA-N 1 1 449.639 5.519 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081912 556696733 /nfs/dbraw/zinc/69/67/33/556696733.db2.gz WQCKZFODFKODBS-NVQXNPDNSA-N 1 1 449.639 5.519 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081850 556696742 /nfs/dbraw/zinc/69/67/42/556696742.db2.gz MPCQDPARAQSAHG-DYESRHJHSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081850 556696746 /nfs/dbraw/zinc/69/67/46/556696746.db2.gz MPCQDPARAQSAHG-DYESRHJHSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1cccc2ncccc12)c1ccccn1 ZINC000019082765 556697339 /nfs/dbraw/zinc/69/73/39/556697339.db2.gz ZBVJBBPYESHMOH-NVQXNPDNSA-N 1 1 444.623 5.668 40 0 IKABMO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1cccc2ncccc12)c1ccccn1 ZINC000019082769 556697659 /nfs/dbraw/zinc/69/76/59/556697659.db2.gz ZBVJBBPYESHMOH-GJZUVCINSA-N 1 1 444.623 5.668 40 0 IKABMO CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086165 556699599 /nfs/dbraw/zinc/69/95/99/556699599.db2.gz WYNPGCHGDZSXER-NZQKXSOJSA-N 1 1 441.641 5.190 40 0 IKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1nc(C)cc1C ZINC000019210157 556708803 /nfs/dbraw/zinc/70/88/03/556708803.db2.gz WAYILDHBWGYAAL-UHFFFAOYSA-N 1 1 440.591 5.463 40 0 IKABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236835 556721377 /nfs/dbraw/zinc/72/13/77/556721377.db2.gz OMCGVHHFEZRBJQ-BKMJKUGQSA-N 1 1 443.591 5.090 40 0 IKABMO Cc1cnccc1-c1cnc(C)nc1[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000019239783 556725674 /nfs/dbraw/zinc/72/56/74/556725674.db2.gz GGHQNAIYWFXSCD-JOCHJYFZSA-N 1 1 427.379 6.189 40 0 IKABMO Cc1cnccc1-c1cnc(C)nc1[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000019239783 556725676 /nfs/dbraw/zinc/72/56/76/556725676.db2.gz GGHQNAIYWFXSCD-JOCHJYFZSA-N 1 1 427.379 6.189 40 0 IKABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000019292953 556732584 /nfs/dbraw/zinc/73/25/84/556732584.db2.gz ZOYQVSXIJAZJGK-JTAQYXEDSA-N 1 1 430.564 5.033 40 0 IKABMO O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349225 556744014 /nfs/dbraw/zinc/74/40/14/556744014.db2.gz NZYMHEQQFZVMFW-HWBMXIPRSA-N 1 1 449.957 5.004 40 0 IKABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349223 556744139 /nfs/dbraw/zinc/74/41/39/556744139.db2.gz WNNRKAFGPUNGNQ-FIXSFTCYSA-N 1 1 438.543 5.157 40 0 IKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3F)CC[C@@H]21 ZINC000019369010 556746755 /nfs/dbraw/zinc/74/67/55/556746755.db2.gz KREASIPEBIGUKX-FUDKSRODSA-N 1 1 438.543 5.157 40 0 IKABMO COc1cc2c(c(OC)c1)CC[N@H+](Cc1cc3sccc3n1Cc1ccc(F)cc1)C2 ZINC000057718520 556748695 /nfs/dbraw/zinc/74/86/95/556748695.db2.gz IDKODYANTONOJY-UHFFFAOYSA-N 1 1 436.552 5.466 40 0 IKABMO COc1cc2c(c(OC)c1)CC[N@@H+](Cc1cc3sccc3n1Cc1ccc(F)cc1)C2 ZINC000057718520 556748700 /nfs/dbraw/zinc/74/87/00/556748700.db2.gz IDKODYANTONOJY-UHFFFAOYSA-N 1 1 436.552 5.466 40 0 IKABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400658 556753300 /nfs/dbraw/zinc/75/33/00/556753300.db2.gz IJYQIGXWGGCOGZ-KCWPFWIISA-N 1 1 447.623 5.273 40 0 IKABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1)c1cccs1 ZINC000019400728 556753412 /nfs/dbraw/zinc/75/34/12/556753412.db2.gz LUCARIUSSHTQDA-NLFFAJNJSA-N 1 1 442.588 5.075 40 0 IKABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1)c1cccs1 ZINC000019400737 556753477 /nfs/dbraw/zinc/75/34/77/556753477.db2.gz LUCARIUSSHTQDA-NBGIEHNGSA-N 1 1 442.588 5.075 40 0 IKABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019400866 556753558 /nfs/dbraw/zinc/75/35/58/556753558.db2.gz MOESNYMGMDZECT-RUZDIDTESA-N 1 1 427.539 5.010 40 0 IKABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000019522015 556779018 /nfs/dbraw/zinc/77/90/18/556779018.db2.gz MIIHEJJERLABRU-OAHLLOKOSA-N 1 1 449.473 5.201 40 0 IKABMO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@H+]2Cc2ccc(OC)c(OC)c2)n1 ZINC000019525605 556783282 /nfs/dbraw/zinc/78/32/82/556783282.db2.gz MHZYQRMVNLSUOL-JOCHJYFZSA-N 1 1 432.568 5.236 40 0 IKABMO CCOc1cc(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)ccc1OC ZINC000019531968 556792265 /nfs/dbraw/zinc/79/22/65/556792265.db2.gz DWZPCKDIPKAXEQ-INIZCTEOSA-N 1 1 449.473 5.337 40 0 IKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3coc4ccccc4c3=O)on2)cc1 ZINC000019558092 556800065 /nfs/dbraw/zinc/80/00/65/556800065.db2.gz URIOGFHDDSEQNZ-HSZRJFAPSA-N 1 1 430.504 5.574 40 0 IKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3coc4ccccc4c3=O)on2)cc1 ZINC000019558092 556800069 /nfs/dbraw/zinc/80/00/69/556800069.db2.gz URIOGFHDDSEQNZ-HSZRJFAPSA-N 1 1 430.504 5.574 40 0 IKABMO COc1cc(C)c(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C ZINC000019567349 556807645 /nfs/dbraw/zinc/80/76/45/556807645.db2.gz WILOFJCQXZPGJY-DEOSSOPVSA-N 1 1 445.611 5.266 40 0 IKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000004971401 556826375 /nfs/dbraw/zinc/82/63/75/556826375.db2.gz FMOSXWGMOAQLCW-HDICACEKSA-N 1 1 427.589 5.273 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c(C)n1 ZINC000019688348 556843224 /nfs/dbraw/zinc/84/32/24/556843224.db2.gz KZKWDZNWFQYCGP-QHCPKHFHSA-N 1 1 428.502 5.553 40 0 IKABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1cc(Cc2ccc(C(F)(F)F)cc2)cc(C)n1 ZINC000019690870 556846820 /nfs/dbraw/zinc/84/68/20/556846820.db2.gz CMTLYJZBWDIATH-QHCPKHFHSA-N 1 1 428.502 5.379 40 0 IKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1 ZINC000408868987 556874048 /nfs/dbraw/zinc/87/40/48/556874048.db2.gz QDDTZHPOWGPFSH-UHFFFAOYSA-N 1 1 449.982 5.232 40 0 IKABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019743112 556887445 /nfs/dbraw/zinc/88/74/45/556887445.db2.gz PUWFKKHSCBOYDX-XMMPIXPASA-N 1 1 432.612 5.167 40 0 IKABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743187 556887720 /nfs/dbraw/zinc/88/77/20/556887720.db2.gz FEPQCMIMYDZVBY-QHCPKHFHSA-N 1 1 436.575 5.263 40 0 IKABMO O=C(Nc1nccs1)c1cc([C@@H]2C[N@H+](C3CCCCCC3)CCO2)nc2ccccc21 ZINC000019754920 556898080 /nfs/dbraw/zinc/89/80/80/556898080.db2.gz WWLLNTMULYQURW-QFIPXVFZSA-N 1 1 436.581 5.040 40 0 IKABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330420 556905514 /nfs/dbraw/zinc/90/55/14/556905514.db2.gz PFRUPJQXTWCCGR-OFVILXPXSA-N 1 1 449.620 5.314 40 0 IKABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000072330452 556905721 /nfs/dbraw/zinc/90/57/21/556905721.db2.gz UPNOWJXQNJEUJY-NLFFAJNJSA-N 1 1 427.539 5.010 40 0 IKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330476 556905756 /nfs/dbraw/zinc/90/57/56/556905756.db2.gz NEXFORKBUORCEF-BYLRJITOSA-N 1 1 439.603 5.297 40 0 IKABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc(F)cc3)cc2)ncc1C(=O)N(C)C ZINC000019764577 556909000 /nfs/dbraw/zinc/90/90/00/556909000.db2.gz JUXCVJUTWFYDBB-XMMPIXPASA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccc(F)cc3)cc2)ncc1C(=O)N(C)C ZINC000019764577 556909003 /nfs/dbraw/zinc/90/90/03/556909003.db2.gz JUXCVJUTWFYDBB-XMMPIXPASA-N 1 1 432.543 5.020 40 0 IKABMO Cc1cccc(Nc2ccc([C@H]3CCC[N@@H+]3Cc3cc4ccccc4nc3N(C)C)nc2)n1 ZINC000072353095 556925375 /nfs/dbraw/zinc/92/53/75/556925375.db2.gz SMQHXNSFIJWGBC-RUZDIDTESA-N 1 1 438.579 5.480 40 0 IKABMO OCCCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c2ccccc21 ZINC000072353188 556925950 /nfs/dbraw/zinc/92/59/50/556925950.db2.gz HETZVIQGCYTTBZ-RUZDIDTESA-N 1 1 445.542 5.034 40 0 IKABMO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)n1 ZINC000072353670 556927712 /nfs/dbraw/zinc/92/77/12/556927712.db2.gz YWKNROIRKRMSAS-FQEVSTJZSA-N 1 1 426.568 5.157 40 0 IKABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)[nH]n1 ZINC000072371724 556940547 /nfs/dbraw/zinc/94/05/47/556940547.db2.gz XXIKNKKBVRRXQW-IBGZPJMESA-N 1 1 432.955 5.222 40 0 IKABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3cccc4ncccc34)C2)n[nH]1 ZINC000072371724 556940548 /nfs/dbraw/zinc/94/05/48/556940548.db2.gz XXIKNKKBVRRXQW-IBGZPJMESA-N 1 1 432.955 5.222 40 0 IKABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)n[nH]1 ZINC000072371724 556940549 /nfs/dbraw/zinc/94/05/49/556940549.db2.gz XXIKNKKBVRRXQW-IBGZPJMESA-N 1 1 432.955 5.222 40 0 IKABMO C[N@H+]1CCC[C@@H](c2cccc(CC3(C(=O)N4CCC5(C4)CCCCC5)CCOCC3)c2)C1 ZINC000072372262 556941921 /nfs/dbraw/zinc/94/19/21/556941921.db2.gz CJGKMZUIZPGCDH-RUZDIDTESA-N 1 1 438.656 5.018 40 0 IKABMO COc1ccccc1CCC(=O)N1CCC[C@@H]1c1cc(Nc2ncc(C)s2)cc(C)[nH+]1 ZINC000072372545 556943025 /nfs/dbraw/zinc/94/30/25/556943025.db2.gz QWLFCPKZIDPWOT-OAQYLSRUSA-N 1 1 436.581 5.203 40 0 IKABMO Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372580 556943052 /nfs/dbraw/zinc/94/30/52/556943052.db2.gz CLUAOFKNAFJEOI-QFIPXVFZSA-N 1 1 441.535 5.572 40 0 IKABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3ccc4nc(C)sc4c3)c2)n1 ZINC000072372624 556943369 /nfs/dbraw/zinc/94/33/69/556943369.db2.gz XKLKALRZHJIZKG-FQEVSTJZSA-N 1 1 449.605 5.794 40 0 IKABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3ccc4nc(C)sc4c3)c2)n1 ZINC000072372625 556943410 /nfs/dbraw/zinc/94/34/10/556943410.db2.gz XKLKALRZHJIZKG-HXUWFJFHSA-N 1 1 449.605 5.794 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3ccc4nc(C)sc4c3)c2)s1 ZINC000072372627 556943478 /nfs/dbraw/zinc/94/34/78/556943478.db2.gz HWDMKZHAHJDSOT-HXUWFJFHSA-N 1 1 449.605 5.794 40 0 IKABMO CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)ccc1OC ZINC000072395570 556967289 /nfs/dbraw/zinc/96/72/89/556967289.db2.gz OJONGWYPNUKOND-RBUKOAKNSA-N 1 1 427.495 5.138 40 0 IKABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000072396802 556969730 /nfs/dbraw/zinc/96/97/30/556969730.db2.gz SBYZYISQQZSAKO-NRFANRHFSA-N 1 1 441.579 5.094 40 0 IKABMO Cc1c(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000072398619 556970310 /nfs/dbraw/zinc/97/03/10/556970310.db2.gz ZNZQAZSAOJYLLX-NLFFAJNJSA-N 1 1 433.596 5.560 40 0 IKABMO CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398615 556970325 /nfs/dbraw/zinc/97/03/25/556970325.db2.gz WKYZAVFTGFUEMZ-CLOONOSVSA-N 1 1 433.596 5.506 40 0 IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020105095 556981866 /nfs/dbraw/zinc/98/18/66/556981866.db2.gz YDIDRKCWNLGSAR-UHFFFAOYSA-N 1 1 436.559 5.064 40 0 IKABMO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020110171 556984872 /nfs/dbraw/zinc/98/48/72/556984872.db2.gz UTWXYEIYDIUEGI-HHHXNRCGSA-N 1 1 442.603 5.395 40 0 IKABMO C[NH+]1CCN(C(=S)c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408578527 557044315 /nfs/dbraw/zinc/04/43/15/557044315.db2.gz YKPJECHHCJOGNC-UHFFFAOYSA-N 1 1 429.800 5.149 40 0 IKABMO O=C(CN(c1ccc(OC(F)F)cc1)C1=[NH+]CCCCC1)c1ccc(OC(F)F)cc1 ZINC000016769182 557155759 /nfs/dbraw/zinc/15/57/59/557155759.db2.gz QBUZDECZIDQYKX-UHFFFAOYSA-N 1 1 438.421 5.551 40 0 IKABMO C[C@H](c1ccccc1)[N@H+]1C[C@H](c2ccccc2)[C@H]2C(=O)CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000095951558 557162342 /nfs/dbraw/zinc/16/23/42/557162342.db2.gz HBCKQDJNNYSOKP-CDLYNWKESA-N 1 1 434.580 5.042 40 0 IKABMO C[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 ZINC000097993241 557187493 /nfs/dbraw/zinc/18/74/93/557187493.db2.gz MZIWRSXHNVMYEY-IIJPFKEISA-N 1 1 439.650 5.665 40 0 IKABMO C[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 ZINC000097993241 557187499 /nfs/dbraw/zinc/18/74/99/557187499.db2.gz MZIWRSXHNVMYEY-IIJPFKEISA-N 1 1 439.650 5.665 40 0 IKABMO COc1ccc2c(c1)N[C@@]1(CCC[N@@H+](CCCC(=O)c3ccc(Cl)cc3)C1)c1cccn1-2 ZINC000057719869 557259244 /nfs/dbraw/zinc/25/92/44/557259244.db2.gz JGYUSFPHOWZCBM-AREMUKBSSA-N 1 1 449.982 5.519 40 0 IKABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774793 557264296 /nfs/dbraw/zinc/26/42/96/557264296.db2.gz MUQTZNFKVHLTEF-PGRDOPGGSA-N 1 1 448.438 6.037 40 0 IKABMO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774852 557264336 /nfs/dbraw/zinc/26/43/36/557264336.db2.gz PTWPLXVMNNTQFN-GMAHTHKFSA-N 1 1 428.020 5.773 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215829 557342616 /nfs/dbraw/zinc/34/26/16/557342616.db2.gz CWJXYEYEQVDLGL-RUZDIDTESA-N 1 1 443.591 6.882 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215708 557342655 /nfs/dbraw/zinc/34/26/55/557342655.db2.gz CIKQRGSXVBJQNZ-VWLOTQADSA-N 1 1 449.639 6.883 40 0 IKABMO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)[N@H+]2Cc1ccccc1 ZINC000013563493 557353730 /nfs/dbraw/zinc/35/37/30/557353730.db2.gz YMAUOWKZFNZVSE-TVPUMLRDSA-N 1 1 433.573 5.503 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)c(C)c1 ZINC000222691112 557374904 /nfs/dbraw/zinc/37/49/04/557374904.db2.gz GDGICNQXKQCFPJ-QFIPXVFZSA-N 1 1 449.422 5.790 40 0 IKABMO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000222876496 557396752 /nfs/dbraw/zinc/39/67/52/557396752.db2.gz HJQJOGDXGDFGAL-UHFFFAOYSA-N 1 1 437.381 5.131 40 0 IKABMO CCc1ccc(O[C@@H](CC)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000222884477 557397984 /nfs/dbraw/zinc/39/79/84/557397984.db2.gz ODZCKJAUEDCXFY-MHZLTWQESA-N 1 1 442.603 5.340 40 0 IKABMO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OC[N@H+]2C1 ZINC000118915993 557405765 /nfs/dbraw/zinc/40/57/65/557405765.db2.gz GRMUAQMHJKQVFL-OQJVWNQQSA-N 1 1 427.673 5.629 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975638 557410412 /nfs/dbraw/zinc/41/04/12/557410412.db2.gz NLKBPMBKFJZTKK-KRWDZBQOSA-N 1 1 445.434 5.962 40 0 IKABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000223123474 557434839 /nfs/dbraw/zinc/43/48/39/557434839.db2.gz XFEFREDSUKETQO-NOZRDPDXSA-N 1 1 425.016 5.698 40 0 IKABMO COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C(C)C ZINC000223367649 557463483 /nfs/dbraw/zinc/46/34/83/557463483.db2.gz NLTIXJDTXBSUFV-TZIWHRDSSA-N 1 1 443.031 5.870 40 0 IKABMO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C(C)C ZINC000223367709 557463554 /nfs/dbraw/zinc/46/35/54/557463554.db2.gz NLTIXJDTXBSUFV-PZJWPPBQSA-N 1 1 443.031 5.870 40 0 IKABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCC(=O)N1c3ccccc3Sc3ccc(C(F)(F)F)cc31)C2 ZINC000016248968 557471454 /nfs/dbraw/zinc/47/14/54/557471454.db2.gz ZQTWIVCZRWGKNL-ALOPSCKCSA-N 1 1 447.526 5.050 40 0 IKABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3cccc(F)c3)o2)CC1 ZINC000016681510 557475235 /nfs/dbraw/zinc/47/52/35/557475235.db2.gz STNBXTLGHTVAKI-UHFFFAOYSA-N 1 1 427.907 5.133 40 0 IKABMO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000017098713 557481855 /nfs/dbraw/zinc/48/18/55/557481855.db2.gz SEYKZHHTZOUNQH-UHFFFAOYSA-N 1 1 433.983 5.477 40 0 IKABMO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000223602991 557490747 /nfs/dbraw/zinc/49/07/47/557490747.db2.gz TVDHKHSWAYQRGB-UHFFFAOYSA-N 1 1 443.429 5.102 40 0 IKABMO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000223645953 557496298 /nfs/dbraw/zinc/49/62/98/557496298.db2.gz YHTNQRFDWUOONH-UHFFFAOYSA-N 1 1 440.946 5.040 40 0 IKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc(Cl)c1 ZINC000019631345 557506982 /nfs/dbraw/zinc/50/69/82/557506982.db2.gz KPXHPALGVNJBRB-UHFFFAOYSA-N 1 1 440.374 5.568 40 0 IKABMO CCCCC[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099982 557531167 /nfs/dbraw/zinc/53/11/67/557531167.db2.gz INXGAHHQCIHNOR-ZHTHUIBPSA-N 1 1 443.631 6.897 40 0 IKABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1C ZINC000223948667 557532675 /nfs/dbraw/zinc/53/26/75/557532675.db2.gz DSLYGEMOGADBOO-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000224028225 557547413 /nfs/dbraw/zinc/54/74/13/557547413.db2.gz IAUVLAWGZJJBDR-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)c(C)c1 ZINC000224066645 557554479 /nfs/dbraw/zinc/55/44/79/557554479.db2.gz LYSIHNLEWZUBKE-AREMUKBSSA-N 1 1 428.576 5.443 40 0 IKABMO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000224094968 557560017 /nfs/dbraw/zinc/56/00/17/557560017.db2.gz RRBJVJDDTIGDRC-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224537698 557618274 /nfs/dbraw/zinc/61/82/74/557618274.db2.gz DFXLVFZRPXNXJJ-UHFFFAOYSA-N 1 1 425.787 5.218 40 0 IKABMO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224539554 557618360 /nfs/dbraw/zinc/61/83/60/557618360.db2.gz CHBCCQOZTZQYLX-UHFFFAOYSA-N 1 1 439.386 6.096 40 0 IKABMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544143 557619527 /nfs/dbraw/zinc/61/95/27/557619527.db2.gz QZRRQCWJUNEYMA-UHFFFAOYSA-N 1 1 425.787 5.218 40 0 IKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000224545529 557620192 /nfs/dbraw/zinc/62/01/92/557620192.db2.gz MBXUUPITMFWDLI-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224707026 557642927 /nfs/dbraw/zinc/64/29/27/557642927.db2.gz QJWDBJVFAKPKEC-XIEYBQDHSA-N 1 1 446.978 5.029 40 0 IKABMO O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000224940252 557669423 /nfs/dbraw/zinc/66/94/23/557669423.db2.gz YWYSLHGQPGIGOV-UHFFFAOYSA-N 1 1 425.576 5.488 40 0 IKABMO CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000225174848 557696330 /nfs/dbraw/zinc/69/63/30/557696330.db2.gz UFHSYTSSRRAVJV-KRWDZBQOSA-N 1 1 444.000 5.148 40 0 IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000225457618 557725051 /nfs/dbraw/zinc/72/50/51/557725051.db2.gz XOQKCNFVAVGQMQ-UHFFFAOYSA-N 1 1 435.778 5.083 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCCC2)cc1 ZINC000225512919 557732904 /nfs/dbraw/zinc/73/29/04/557732904.db2.gz ULIBBUFZYMCXHC-ZRZAMGCNSA-N 1 1 434.624 5.802 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCC2)cc1 ZINC000225513422 557733024 /nfs/dbraw/zinc/73/30/24/557733024.db2.gz JLEYBZUFSTXSKC-QHCPKHFHSA-N 1 1 434.624 6.089 40 0 IKABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520810 557734882 /nfs/dbraw/zinc/73/48/82/557734882.db2.gz OTROXXSJYKAGSL-NRFANRHFSA-N 1 1 438.587 5.777 40 0 IKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)C1 ZINC000225523086 557735339 /nfs/dbraw/zinc/73/53/39/557735339.db2.gz DMXWAJATHBWBCZ-FQEVSTJZSA-N 1 1 441.015 5.901 40 0 IKABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534728 557737979 /nfs/dbraw/zinc/73/79/79/557737979.db2.gz ZIDYAOMGDXSQIO-QHCPKHFHSA-N 1 1 434.624 6.028 40 0 IKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)cc1 ZINC000225542812 557739267 /nfs/dbraw/zinc/73/92/67/557739267.db2.gz WSGCRJWGYRXMOW-XMMPIXPASA-N 1 1 448.651 6.336 40 0 IKABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000225578050 557746037 /nfs/dbraw/zinc/74/60/37/557746037.db2.gz YYTLPIDXSWWUIX-UHFFFAOYSA-N 1 1 428.979 5.172 40 0 IKABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225581932 557746723 /nfs/dbraw/zinc/74/67/23/557746723.db2.gz HHOIOVVDSOUGFQ-QFIPXVFZSA-N 1 1 427.683 5.920 40 0 IKABMO CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225585825 557747656 /nfs/dbraw/zinc/74/76/56/557747656.db2.gz XWWILFVVUPAAEF-UHFFFAOYSA-N 1 1 446.994 5.227 40 0 IKABMO CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225585794 557747674 /nfs/dbraw/zinc/74/76/74/557747674.db2.gz ZKSYUIPVLSPSBX-UHFFFAOYSA-N 1 1 446.994 5.227 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225587323 557747948 /nfs/dbraw/zinc/74/79/48/557747948.db2.gz BGUQJYOUIGHVPE-JOCHJYFZSA-N 1 1 444.978 5.418 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)c(C)c1 ZINC000225591103 557748631 /nfs/dbraw/zinc/74/86/31/557748631.db2.gz DPURRVYSEXZCPG-JOCHJYFZSA-N 1 1 432.967 5.276 40 0 IKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225652050 557757257 /nfs/dbraw/zinc/75/72/57/557757257.db2.gz AVVRMCJSCIGUMF-ATIYNZHBSA-N 1 1 432.649 5.892 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225664367 557759080 /nfs/dbraw/zinc/75/90/80/557759080.db2.gz XUAOYKPJHRETSU-TVZXLZGTSA-N 1 1 430.633 5.644 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225668776 557760134 /nfs/dbraw/zinc/76/01/34/557760134.db2.gz OWQHHEIRQBTDMK-IEBRLRAKSA-N 1 1 430.633 5.357 40 0 IKABMO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)s1 ZINC000225705440 557766740 /nfs/dbraw/zinc/76/67/40/557766740.db2.gz WUBBAQWCAZBCON-UHFFFAOYSA-N 1 1 445.441 5.198 40 0 IKABMO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225742212 557771625 /nfs/dbraw/zinc/77/16/25/557771625.db2.gz IWZFSFOKYKEARI-QHCPKHFHSA-N 1 1 446.676 6.136 40 0 IKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000225908065 557790835 /nfs/dbraw/zinc/79/08/35/557790835.db2.gz ZEVNGPVGDXOFLX-RHSMWYFYSA-N 1 1 425.787 5.736 40 0 IKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000225908065 557790837 /nfs/dbraw/zinc/79/08/37/557790837.db2.gz ZEVNGPVGDXOFLX-RHSMWYFYSA-N 1 1 425.787 5.736 40 0 IKABMO Cc1ccc(S[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000031852033 557805673 /nfs/dbraw/zinc/80/56/73/557805673.db2.gz GHKBQAVKPZYEJZ-JOCHJYFZSA-N 1 1 430.617 5.409 40 0 IKABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4OC)C=C3C)[nH]c2c1 ZINC000077262132 560046697 /nfs/dbraw/zinc/04/66/97/560046697.db2.gz NRBLWIPDRUXFJZ-FIXSFTCYSA-N 1 1 447.623 5.767 40 0 biogenic,in-vitro IKABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccccc3C)CC2)sc1CCOc1ccccc1 ZINC000019738684 568752583 /nfs/dbraw/zinc/75/25/83/568752583.db2.gz GQVVCNVFICLATI-AREMUKBSSA-N 1 1 436.621 5.255 40 0 IKABMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002762495 568859468 /nfs/dbraw/zinc/85/94/68/568859468.db2.gz XKSWRUYYSKZLQA-AOYPEHQESA-N 1 1 446.978 5.676 40 0 IKABMO O=C(c1cc2ccccc2cc1O)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100290 568872764 /nfs/dbraw/zinc/87/27/64/568872764.db2.gz JRYBAIHCWKNXPX-MHZLTWQESA-N 1 1 432.539 5.345 40 0 IKABMO O=C(c1cc2ccccc2cc1O)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100286 568872777 /nfs/dbraw/zinc/87/27/77/568872777.db2.gz JRYBAIHCWKNXPX-HHHXNRCGSA-N 1 1 432.539 5.345 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1CO ZINC000585176615 568873104 /nfs/dbraw/zinc/87/31/04/568873104.db2.gz VFIQRKOKWCNGDI-HSZRJFAPSA-N 1 1 434.555 5.082 40 0 IKABMO COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)C[N@H+]2Cc1ccccc1 ZINC000585169108 568873268 /nfs/dbraw/zinc/87/32/68/568873268.db2.gz HHQQPADRUDDTJI-DPZBCOQUSA-N 1 1 448.557 5.464 40 0 IKABMO Cc1c2cc(F)ccc2oc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000027985636 568895258 /nfs/dbraw/zinc/89/52/58/568895258.db2.gz IEKGRWBDUGRSJB-AREMUKBSSA-N 1 1 442.534 5.736 40 0 IKABMO CCc1cc([C@@H](c2cccc(Cl)c2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551886 569098041 /nfs/dbraw/zinc/09/80/41/569098041.db2.gz XZZYBFZNQQYUGG-HSZRJFAPSA-N 1 1 439.024 6.792 40 0 IKABMO CCc1cc([C@H](c2cccc(Cl)c2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551889 569098091 /nfs/dbraw/zinc/09/80/91/569098091.db2.gz XZZYBFZNQQYUGG-QHCPKHFHSA-N 1 1 439.024 6.792 40 0 IKABMO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063673 569219895 /nfs/dbraw/zinc/21/98/95/569219895.db2.gz UVLCQCMDKKUKHN-UHFFFAOYSA-N 1 1 429.750 5.314 40 0 IKABMO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009063668 569219967 /nfs/dbraw/zinc/21/99/67/569219967.db2.gz MEEKBLPGEOLHRF-UHFFFAOYSA-N 1 1 435.008 5.049 40 0 IKABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000019532465 569226773 /nfs/dbraw/zinc/22/67/73/569226773.db2.gz HPMDLLFMLUYPQP-ATIYNZHBSA-N 1 1 449.639 5.085 40 0 IKABMO COc1ccc2cc(C[N@H+]3CCC[C@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000019563989 569226944 /nfs/dbraw/zinc/22/69/44/569226944.db2.gz VNGZSACNXGYWPK-RPLLCQBOSA-N 1 1 443.591 5.113 40 0 IKABMO COc1ccc2cc(C[N@H+]3CCC[C@@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000019563986 569226949 /nfs/dbraw/zinc/22/69/49/569226949.db2.gz VNGZSACNXGYWPK-SHQCIBLASA-N 1 1 443.591 5.113 40 0 IKABMO CC(C)COc1ccccc1C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702531 569232077 /nfs/dbraw/zinc/23/20/77/569232077.db2.gz NGUZYUPIUPVIQS-IBGZPJMESA-N 1 1 437.609 5.022 40 0 IKABMO CC(C)n1cc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000019702599 569232177 /nfs/dbraw/zinc/23/21/77/569232177.db2.gz MRKXAGANNUEXDG-HNNXBMFYSA-N 1 1 436.556 5.059 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCCCC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705245 569234097 /nfs/dbraw/zinc/23/40/97/569234097.db2.gz SQORXFUQXZIXAV-QHCPKHFHSA-N 1 1 436.568 5.315 40 0 IKABMO COc1ccc(OCCc2sc([C@@]3(O)CCC[N@H+](C4CCCCC4)CC3)nc2C)cc1 ZINC000019705422 569234272 /nfs/dbraw/zinc/23/42/72/569234272.db2.gz RTUBZMWOSXXHED-RUZDIDTESA-N 1 1 444.641 5.088 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713384 569235568 /nfs/dbraw/zinc/23/55/68/569235568.db2.gz ZLYUXQLBMUDZOH-AOYPEHQESA-N 1 1 440.607 5.156 40 0 IKABMO S=C(c1ccccc1OCc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033677416 569245755 /nfs/dbraw/zinc/24/57/55/569245755.db2.gz KANCRNMKIIQXFU-UHFFFAOYSA-N 1 1 437.008 5.412 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044855328 569249196 /nfs/dbraw/zinc/24/91/96/569249196.db2.gz OAAGBHZUELTVFN-SIKLNZKXSA-N 1 1 426.988 5.279 40 0 IKABMO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1cccs1)[N@H+]2Cc1ccccc1 ZINC000245227912 569269471 /nfs/dbraw/zinc/26/94/71/569269471.db2.gz YMAUOWKZFNZVSE-AXJZPPOTSA-N 1 1 433.573 5.503 40 0 IKABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCC[N@H+]3C[C@H]3CCOC3)nn21 ZINC000247695708 569270061 /nfs/dbraw/zinc/27/00/61/569270061.db2.gz ZZEZIEAAAHYMJO-PBHICJAKSA-N 1 1 436.503 5.040 40 0 IKABMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198820 569275513 /nfs/dbraw/zinc/27/55/13/569275513.db2.gz JBYMGGHUFOKKPL-WBADGQHESA-N 1 1 433.621 5.154 40 0 IKABMO Cc1nc(Nc2cc(C)nc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)c2)sc1C ZINC000257217227 569276043 /nfs/dbraw/zinc/27/60/43/569276043.db2.gz CYCXNFBUBHWUKP-XMMPIXPASA-N 1 1 445.592 5.329 40 0 IKABMO Cc1nc(Nc2cc(C)nc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)c2)sc1C ZINC000257217227 569276044 /nfs/dbraw/zinc/27/60/44/569276044.db2.gz CYCXNFBUBHWUKP-XMMPIXPASA-N 1 1 445.592 5.329 40 0 IKABMO CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCC3)CC2)C1 ZINC000257218492 569276144 /nfs/dbraw/zinc/27/61/44/569276144.db2.gz DDIKWIPIDLARMW-UHFFFAOYSA-N 1 1 440.672 6.037 40 0 IKABMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2ccnc(Nc3ccc(F)cn3)c2)CC1 ZINC000257229818 569276511 /nfs/dbraw/zinc/27/65/11/569276511.db2.gz FZOQTSXCMUUGAP-UHFFFAOYSA-N 1 1 447.558 5.048 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)c2ccc(F)cc21 ZINC000257240494 569276901 /nfs/dbraw/zinc/27/69/01/569276901.db2.gz HTTBTFYFFDGAFA-SANMLTNESA-N 1 1 431.530 6.262 40 0 IKABMO O=C(C[NH+]1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1)Nc1ccc(F)cc1 ZINC000257247529 569277066 /nfs/dbraw/zinc/27/70/66/569277066.db2.gz IZJKRSAEBSUCMX-UHFFFAOYSA-N 1 1 437.946 5.283 40 0 IKABMO O=C(C[N@@H+]1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1)Nc1ccc(F)cc1 ZINC000257264420 569277423 /nfs/dbraw/zinc/27/74/23/569277423.db2.gz LUHJCDQQQJYCHL-FQEVSTJZSA-N 1 1 437.946 5.283 40 0 IKABMO O=C(C[N@H+]1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1)Nc1ccc(F)cc1 ZINC000257264420 569277424 /nfs/dbraw/zinc/27/74/24/569277424.db2.gz LUHJCDQQQJYCHL-FQEVSTJZSA-N 1 1 437.946 5.283 40 0 IKABMO CC(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257282694 569278008 /nfs/dbraw/zinc/27/80/08/569278008.db2.gz OUVMWSQKYRUXQB-XMSQKQJNSA-N 1 1 434.411 5.647 40 0 IKABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)no1 ZINC000257286183 569278113 /nfs/dbraw/zinc/27/81/13/569278113.db2.gz PKQFCRNCZRHSLT-XMMPIXPASA-N 1 1 443.591 5.784 40 0 IKABMO COc1ccccc1-c1ccccc1C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257289902 569278248 /nfs/dbraw/zinc/27/82/48/569278248.db2.gz QASIACMOVUWETM-RBJSKKJNSA-N 1 1 444.550 5.140 40 0 IKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+](Cc4cn(C)c5ccc(F)cc45)C3)nc2)c1 ZINC000257296207 569278415 /nfs/dbraw/zinc/27/84/15/569278415.db2.gz RBSBXPPBZSSJIS-JOCHJYFZSA-N 1 1 443.566 5.691 40 0 IKABMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@]12CCCCC(=O)N2 ZINC000257302953 569278464 /nfs/dbraw/zinc/27/84/64/569278464.db2.gz SFDBSIXIKAFMIL-LITSAYRRSA-N 1 1 440.587 5.391 40 0 IKABMO COc1ccccc1-c1cccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)c1 ZINC000257304744 569278692 /nfs/dbraw/zinc/27/86/92/569278692.db2.gz SMZNWSMDAAEBIH-RBJSKKJNSA-N 1 1 444.550 5.140 40 0 IKABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000257316125 569278953 /nfs/dbraw/zinc/27/89/53/569278953.db2.gz VEFQXRJPEHGJOG-SIKLNZKXSA-N 1 1 448.438 6.037 40 0 IKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+](Cc4c(C)cc(OC)c(C)c4C)C3)nc2)c1 ZINC000257318907 569279096 /nfs/dbraw/zinc/27/90/96/569279096.db2.gz VPXOIXCFAGBJCL-RUZDIDTESA-N 1 1 444.619 5.994 40 0 IKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cc1 ZINC000257320296 569279098 /nfs/dbraw/zinc/27/90/98/569279098.db2.gz VWCNGAHCFKDSLR-FQEVSTJZSA-N 1 1 435.597 5.237 40 0 IKABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322225 569279324 /nfs/dbraw/zinc/27/93/24/569279324.db2.gz WFCJOGZGQRLQQN-SIKLNZKXSA-N 1 1 431.983 5.522 40 0 IKABMO COc1ccccc1-c1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCC(=O)N3)c1 ZINC000257324937 569279440 /nfs/dbraw/zinc/27/94/40/569279440.db2.gz WQUXGUYNEMUDFZ-LBNVMWSVSA-N 1 1 444.550 5.140 40 0 IKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@H]4C)cc3)CCCC2)cc1 ZINC000260812320 569281711 /nfs/dbraw/zinc/28/17/11/569281711.db2.gz AKTIBDRJIIRAAU-OAQYLSRUSA-N 1 1 436.596 5.399 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816918 569281793 /nfs/dbraw/zinc/28/17/93/569281793.db2.gz SBIZTRCUQCYSGO-QFIPXVFZSA-N 1 1 432.649 5.603 40 0 IKABMO CCC1(CC)C[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000260843355 569281826 /nfs/dbraw/zinc/28/18/26/569281826.db2.gz QSSYGAMKRJMJQA-NZQKXSOJSA-N 1 1 441.015 5.751 40 0 IKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260818242 569281834 /nfs/dbraw/zinc/28/18/34/569281834.db2.gz ZNVFSKBQPGMAOA-JOCHJYFZSA-N 1 1 432.649 5.746 40 0 IKABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260818207 569281859 /nfs/dbraw/zinc/28/18/59/569281859.db2.gz XUAOYKPJHRETSU-AOJNWGRGSA-N 1 1 430.633 5.644 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816729 569281938 /nfs/dbraw/zinc/28/19/38/569281938.db2.gz OVVGELCHHFCKGD-HSZRJFAPSA-N 1 1 446.676 6.136 40 0 IKABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000260833525 569281944 /nfs/dbraw/zinc/28/19/44/569281944.db2.gz XQWZMEHORIKUKF-RDJZCZTQSA-N 1 1 447.804 5.292 40 0 IKABMO Brc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329033275 569285408 /nfs/dbraw/zinc/28/54/08/569285408.db2.gz QSRUPCLMAQKVDF-UHFFFAOYSA-N 1 1 427.390 5.424 40 0 IKABMO Brc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329033275 569285410 /nfs/dbraw/zinc/28/54/10/569285410.db2.gz QSRUPCLMAQKVDF-UHFFFAOYSA-N 1 1 427.390 5.424 40 0 IKABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000009087755 569293630 /nfs/dbraw/zinc/29/36/30/569293630.db2.gz KYVWHOUGNSMFTK-WIRXVTQYSA-N 1 1 444.575 5.155 40 0 IKABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000009185324 569294134 /nfs/dbraw/zinc/29/41/34/569294134.db2.gz KYVWHOUGNSMFTK-KGPYPHOUSA-N 1 1 444.575 5.155 40 0 IKABMO CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1 ZINC000005676929 132275604 /nfs/dbraw/zinc/27/56/04/132275604.db2.gz UDIFSLUTFKRNHF-SFHVURJKSA-N 1 1 429.992 5.013 40 0 IKABMO CCN(CC)CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022075468 520687054 /nfs/dbraw/zinc/68/70/54/520687054.db2.gz LAPCINOVRMVETI-UHFFFAOYSA-N 1 1 425.798 5.113 40 0 IKABMO CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022515669 523051200 /nfs/dbraw/zinc/05/12/00/523051200.db2.gz NXEAJEZJPBZWOT-RUZDIDTESA-N 1 1 448.994 5.431 40 0 IKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cc(OC)c(O)c(OC)c3)no2)cc1 ZINC000012185643 523116053 /nfs/dbraw/zinc/11/60/53/523116053.db2.gz JFJLXBNHMBIWGW-NRFANRHFSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cc(OC)c(O)c(OC)c3)no2)cc1 ZINC000012185643 523116060 /nfs/dbraw/zinc/11/60/60/523116060.db2.gz JFJLXBNHMBIWGW-NRFANRHFSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c(OC)c1OC ZINC000012185715 524025430 /nfs/dbraw/zinc/02/54/30/524025430.db2.gz WSGWUZVUVXPTAE-NRFANRHFSA-N 1 1 440.515 5.624 40 0 IKABMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c(OC)c1OC ZINC000012185715 524025433 /nfs/dbraw/zinc/02/54/33/524025433.db2.gz WSGWUZVUVXPTAE-NRFANRHFSA-N 1 1 440.515 5.624 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)C1 ZINC000020456846 524091867 /nfs/dbraw/zinc/09/18/67/524091867.db2.gz XWNPWGLDKMTZTE-NRFANRHFSA-N 1 1 430.617 6.463 40 0 IKABMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000020521951 526467754 /nfs/dbraw/zinc/46/77/54/526467754.db2.gz JQUDXHRYILULGK-HSZRJFAPSA-N 1 1 444.541 5.399 40 0 IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000020454005 527386395 /nfs/dbraw/zinc/38/63/95/527386395.db2.gz RIASDCGUNLZMAQ-UHFFFAOYSA-N 1 1 427.573 5.711 40 0 IKABMO CC[NH+](CC)c1ccc(N[C@H](C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000001665283 555708602 /nfs/dbraw/zinc/70/86/02/555708602.db2.gz VJAFYJHWGYLCMM-QHCPKHFHSA-N 1 1 427.375 6.876 40 0 IKABMO CC[NH+]1CCN(C(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)CC1 ZINC000408576755 555927327 /nfs/dbraw/zinc/92/73/27/555927327.db2.gz QXZAGYYBAYTWIF-UHFFFAOYSA-N 1 1 427.372 5.025 40 0 IKABMO C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C[N@@H+]1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000005759392 556064871 /nfs/dbraw/zinc/06/48/71/556064871.db2.gz KZASEJMAAFUHML-AWUHDJBCSA-N 1 1 425.572 5.312 40 0 IKABMO C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C[N@H+]1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000005759392 556064875 /nfs/dbraw/zinc/06/48/75/556064875.db2.gz KZASEJMAAFUHML-AWUHDJBCSA-N 1 1 425.572 5.312 40 0 IKABMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039755985 556439438 /nfs/dbraw/zinc/43/94/38/556439438.db2.gz XQASYYAKEHIDAL-UHFFFAOYSA-N 1 1 449.275 6.002 40 0 IKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)CC1 ZINC000408864582 556457714 /nfs/dbraw/zinc/45/77/14/556457714.db2.gz YANGBUCXNMIAKU-UHFFFAOYSA-N 1 1 449.982 5.232 40 0 IKABMO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000030855110 556509866 /nfs/dbraw/zinc/50/98/66/556509866.db2.gz SOWVHXJBTODQSB-OAQYLSRUSA-N 1 1 446.616 5.110 40 0 IKABMO S=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013547802 556514181 /nfs/dbraw/zinc/51/41/81/556514181.db2.gz WTDIWLXMFKIUGF-UHFFFAOYSA-N 1 1 448.635 6.436 40 0 IKABMO CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000030945243 556516940 /nfs/dbraw/zinc/51/69/40/556516940.db2.gz YGGWKOAFXHPMOS-FQEVSTJZSA-N 1 1 445.994 6.319 40 0 IKABMO CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000030945296 556516947 /nfs/dbraw/zinc/51/69/47/556516947.db2.gz NJVMFLNXVFSBEC-FQEVSTJZSA-N 1 1 429.539 5.804 40 0 IKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030945420 556517225 /nfs/dbraw/zinc/51/72/25/556517225.db2.gz ADGOVKLEAGOYRF-ZDUSSCGKSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030945420 556517230 /nfs/dbraw/zinc/51/72/30/556517230.db2.gz ADGOVKLEAGOYRF-ZDUSSCGKSA-N 1 1 432.178 6.151 40 0 IKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000030947152 556517462 /nfs/dbraw/zinc/51/74/62/556517462.db2.gz ASQQAHZICAIBTJ-UHFFFAOYSA-N 1 1 425.576 5.960 40 0 IKABMO O=C(NCCSCc1ccccc1F)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013669600 556550363 /nfs/dbraw/zinc/55/03/63/556550363.db2.gz WTVCHRLWOSEIAT-UHFFFAOYSA-N 1 1 434.580 5.047 40 0 IKABMO Fc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000016449709 556609156 /nfs/dbraw/zinc/60/91/56/556609156.db2.gz UUXWZMFBHBVBCW-UHFFFAOYSA-N 1 1 434.736 6.110 40 0 IKABMO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038755417 556617574 /nfs/dbraw/zinc/61/75/74/556617574.db2.gz VTHSQHJLZMMSEG-XMMPIXPASA-N 1 1 448.994 5.431 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834468 556622515 /nfs/dbraw/zinc/62/25/15/556622515.db2.gz SVXCTLFHFKWIRG-MRXNPFEDSA-N 1 1 435.351 5.021 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834468 556622517 /nfs/dbraw/zinc/62/25/17/556622517.db2.gz SVXCTLFHFKWIRG-MRXNPFEDSA-N 1 1 435.351 5.021 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038834717 556622804 /nfs/dbraw/zinc/62/28/04/556622804.db2.gz VEEOIWZURHDLMW-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038835011 556623059 /nfs/dbraw/zinc/62/30/59/556623059.db2.gz WSJIWEBSWOQVJR-CYBMUJFWSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038835011 556623062 /nfs/dbraw/zinc/62/30/62/556623062.db2.gz WSJIWEBSWOQVJR-CYBMUJFWSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038837061 556623387 /nfs/dbraw/zinc/62/33/87/556623387.db2.gz ISCXEEHHORZPNG-UHFFFAOYSA-N 1 1 437.436 5.255 40 0 IKABMO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038848666 556623721 /nfs/dbraw/zinc/62/37/21/556623721.db2.gz GRQCRSKHXNKGFB-UHFFFAOYSA-N 1 1 446.205 5.829 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849388 556624032 /nfs/dbraw/zinc/62/40/32/556624032.db2.gz DNMHERDPYSCEKT-AWEZNQCLSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849388 556624033 /nfs/dbraw/zinc/62/40/33/556624033.db2.gz DNMHERDPYSCEKT-AWEZNQCLSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849391 556624039 /nfs/dbraw/zinc/62/40/39/556624039.db2.gz XHPWJBOKMFNLFD-CYBMUJFWSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849391 556624040 /nfs/dbraw/zinc/62/40/40/556624040.db2.gz XHPWJBOKMFNLFD-CYBMUJFWSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038849405 556624103 /nfs/dbraw/zinc/62/41/03/556624103.db2.gz IMQMWZDSZHZQMT-UHFFFAOYSA-N 1 1 427.759 5.506 40 0 IKABMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850876 556624631 /nfs/dbraw/zinc/62/46/31/556624631.db2.gz GMJXPSMYSBYWKP-NRFANRHFSA-N 1 1 445.434 5.687 40 0 IKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000038852008 556624982 /nfs/dbraw/zinc/62/49/82/556624982.db2.gz AMISUYBXJCXOFF-UHFFFAOYSA-N 1 1 434.392 5.210 40 0 IKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)C1 ZINC000038854609 556625448 /nfs/dbraw/zinc/62/54/48/556625448.db2.gz PFEMSPRRYRPOBM-FQEVSTJZSA-N 1 1 433.596 5.233 40 0 IKABMO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038860408 556626156 /nfs/dbraw/zinc/62/61/56/556626156.db2.gz GZGPLKQWEHCEET-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038860417 556626374 /nfs/dbraw/zinc/62/63/74/556626374.db2.gz XJUSIRCMCKZCJH-UHFFFAOYSA-N 1 1 431.285 5.863 40 0 IKABMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(CCO)Cc2ccccc2)c1 ZINC000016768314 556640142 /nfs/dbraw/zinc/64/01/42/556640142.db2.gz SSGRGICMFHYVEG-UHFFFAOYSA-N 1 1 434.543 5.395 40 0 IKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000044786604 556667584 /nfs/dbraw/zinc/66/75/84/556667584.db2.gz AAQQOLGVFZNSSW-UHFFFAOYSA-N 1 1 434.392 5.210 40 0 IKABMO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044851441 556670536 /nfs/dbraw/zinc/67/05/36/556670536.db2.gz QKGGEMJDWHNZCN-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044851439 556670572 /nfs/dbraw/zinc/67/05/72/556670572.db2.gz DRTUCZBONHOELV-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044851611 556670674 /nfs/dbraw/zinc/67/06/74/556670674.db2.gz HSOMZTISAIPAJV-UHFFFAOYSA-N 1 1 446.994 5.229 40 0 IKABMO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044852571 556670741 /nfs/dbraw/zinc/67/07/41/556670741.db2.gz RCUKBULYLVQKDD-QGZVFWFLSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3c(F)cccc3Cl)CC1)CC(C)(C)O2 ZINC000044855247 556671359 /nfs/dbraw/zinc/67/13/59/556671359.db2.gz UIZCETYSAHVXGJ-JOCHJYFZSA-N 1 1 444.978 5.418 40 0 IKABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044855398 556671550 /nfs/dbraw/zinc/67/15/50/556671550.db2.gz NQMQUTISTNBXFG-JOCHJYFZSA-N 1 1 444.978 5.418 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856516 556672234 /nfs/dbraw/zinc/67/22/34/556672234.db2.gz NUUOEDHJRNWRCX-HSZRJFAPSA-N 1 1 433.423 6.090 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906083 556679770 /nfs/dbraw/zinc/67/97/70/556679770.db2.gz BXTHCURROLJOFM-QGZVFWFLSA-N 1 1 447.450 6.380 40 0 IKABMO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044906389 556680069 /nfs/dbraw/zinc/68/00/69/556680069.db2.gz YWKUYLMLCJGYGG-UHFFFAOYSA-N 1 1 439.814 5.608 40 0 IKABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1C ZINC000044911682 556681012 /nfs/dbraw/zinc/68/10/12/556681012.db2.gz JJAZMPKSZSOAJR-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000044912126 556681027 /nfs/dbraw/zinc/68/10/27/556681027.db2.gz IRKNKMIVDBNJDP-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000044912118 556681043 /nfs/dbraw/zinc/68/10/43/556681043.db2.gz ZRNBMEQRYSFBLW-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1C ZINC000044911676 556681049 /nfs/dbraw/zinc/68/10/49/556681049.db2.gz NPAUHTHFWNCOJW-UHFFFAOYSA-N 1 1 449.378 5.329 40 0 IKABMO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044917196 556681604 /nfs/dbraw/zinc/68/16/04/556681604.db2.gz XQCKWZIHBHTPKB-UHFFFAOYSA-N 1 1 447.406 6.166 40 0 IKABMO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044917206 556681638 /nfs/dbraw/zinc/68/16/38/556681638.db2.gz HLPKENAJASKRHE-UHFFFAOYSA-N 1 1 447.406 6.166 40 0 IKABMO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000044936871 556682719 /nfs/dbraw/zinc/68/27/19/556682719.db2.gz DOBNIDIQJPBOSL-QHCPKHFHSA-N 1 1 433.423 6.109 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000044939771 556683294 /nfs/dbraw/zinc/68/32/94/556683294.db2.gz DLOFIEGWINUIQI-INIZCTEOSA-N 1 1 435.351 5.021 40 0 IKABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000019081842 556696769 /nfs/dbraw/zinc/69/67/69/556696769.db2.gz NPLWUADKUOXYNA-BKMJKUGQSA-N 1 1 449.639 5.085 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000019081967 556696858 /nfs/dbraw/zinc/69/68/58/556696858.db2.gz QSUNDQZKZQFYRI-ATIYNZHBSA-N 1 1 449.639 5.519 40 0 IKABMO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1cccc2ncccc12)c1ccccn1 ZINC000019082771 556697599 /nfs/dbraw/zinc/69/75/99/556697599.db2.gz ZBVJBBPYESHMOH-ATIYNZHBSA-N 1 1 444.623 5.668 40 0 IKABMO CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086158 556699583 /nfs/dbraw/zinc/69/95/83/556699583.db2.gz WYNPGCHGDZSXER-OFNKIYASSA-N 1 1 441.641 5.190 40 0 IKABMO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086163 556699629 /nfs/dbraw/zinc/69/96/29/556699629.db2.gz WYNPGCHGDZSXER-REWPJTCUSA-N 1 1 441.641 5.190 40 0 IKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1ccnc1C ZINC000019210160 556708819 /nfs/dbraw/zinc/70/88/19/556708819.db2.gz YIFOZAWHMZWOSY-UHFFFAOYSA-N 1 1 426.564 5.154 40 0 IKABMO COc1ccccc1C[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nc3cccc(C)c3[nH]2)C[C@H]1C(C)C ZINC000072320974 556709854 /nfs/dbraw/zinc/70/98/54/556709854.db2.gz QZAHHAWLSCJGOO-HJOGWXRNSA-N 1 1 431.624 6.067 40 0 biogenic,in-vitro IKABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000019220115 556714359 /nfs/dbraw/zinc/71/43/59/556714359.db2.gz OCZILPKVJXUIBB-DENIHFKCSA-N 1 1 441.579 5.086 40 0 IKABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019236858 556721469 /nfs/dbraw/zinc/72/14/69/556721469.db2.gz BDULMTXJSHMADV-VWLOTQADSA-N 1 1 435.518 5.052 40 0 IKABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019236816 556721588 /nfs/dbraw/zinc/72/15/88/556721588.db2.gz ADGJBNCZRZMHMZ-NBGIEHNGSA-N 1 1 435.518 5.052 40 0 IKABMO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000019294085 556733692 /nfs/dbraw/zinc/73/36/92/556733692.db2.gz ZNKGKJFHYMBIOU-OAQYLSRUSA-N 1 1 440.526 5.196 40 0 IKABMO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000019294082 556733816 /nfs/dbraw/zinc/73/38/16/556733816.db2.gz OGAWKTOIIYBTRF-NRFANRHFSA-N 1 1 440.526 5.196 40 0 IKABMO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCC[N@H+]3C3CCSCC3)nn21 ZINC000019343872 556741775 /nfs/dbraw/zinc/74/17/75/556741775.db2.gz XJZNJZYECPMVLA-XYJFISCASA-N 1 1 442.576 5.637 40 0 IKABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019347732 556743478 /nfs/dbraw/zinc/74/34/78/556743478.db2.gz RPPXJNVAYMNVMY-KCZVDYSFSA-N 1 1 426.582 5.079 40 0 IKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000019368998 556746792 /nfs/dbraw/zinc/74/67/92/556746792.db2.gz LXJONGLJLBGLCA-HFMPRLQTSA-N 1 1 438.543 5.157 40 0 IKABMO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000019370898 556748467 /nfs/dbraw/zinc/74/84/67/556748467.db2.gz ISODBYSWWKPDCB-WNCULLNHSA-N 1 1 448.010 5.437 40 0 IKABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019446643 556756119 /nfs/dbraw/zinc/75/61/19/556756119.db2.gz NLOUZHBDVCTNBO-MBSDFSHPSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019446643 556756123 /nfs/dbraw/zinc/75/61/23/556756123.db2.gz NLOUZHBDVCTNBO-MBSDFSHPSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019446682 556756139 /nfs/dbraw/zinc/75/61/39/556756139.db2.gz IQLQYDGKGCAMOU-HSZRJFAPSA-N 1 1 434.411 5.504 40 0 IKABMO CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000019523080 556780272 /nfs/dbraw/zinc/78/02/72/556780272.db2.gz JLBYIZSPMPUOCZ-QFIPXVFZSA-N 1 1 443.595 5.203 40 0 IKABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3ccccn3)C2)c2sccn12 ZINC000019523100 556780388 /nfs/dbraw/zinc/78/03/88/556780388.db2.gz LMRPOANIJMMTBF-SFHVURJKSA-N 1 1 431.565 5.117 40 0 IKABMO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@H+]2Cc2cc(OC)cc(OC)c2)n1 ZINC000019525602 556783067 /nfs/dbraw/zinc/78/30/67/556783067.db2.gz VCITUVJRHXPBAT-DEOSSOPVSA-N 1 1 432.568 5.236 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019533788 556793616 /nfs/dbraw/zinc/79/36/16/556793616.db2.gz RGLJYFDMAVPPEH-INIZCTEOSA-N 1 1 449.473 5.337 40 0 IKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3coc4ccccc4c3=O)on2)cc1 ZINC000019558089 556799828 /nfs/dbraw/zinc/79/98/28/556799828.db2.gz URIOGFHDDSEQNZ-QHCPKHFHSA-N 1 1 430.504 5.574 40 0 IKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3coc4ccccc4c3=O)on2)cc1 ZINC000019558089 556799831 /nfs/dbraw/zinc/79/98/31/556799831.db2.gz URIOGFHDDSEQNZ-QHCPKHFHSA-N 1 1 430.504 5.574 40 0 IKABMO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cc1O ZINC000019559737 556801616 /nfs/dbraw/zinc/80/16/16/556801616.db2.gz BPWSJGYTLHQKOX-FQEVSTJZSA-N 1 1 438.524 5.190 40 0 IKABMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cc1O ZINC000019559737 556801621 /nfs/dbraw/zinc/80/16/21/556801621.db2.gz BPWSJGYTLHQKOX-FQEVSTJZSA-N 1 1 438.524 5.190 40 0 IKABMO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1OC ZINC000019567901 556808152 /nfs/dbraw/zinc/80/81/52/556808152.db2.gz RGVQEEZEABERCS-HXUWFJFHSA-N 1 1 436.508 5.205 40 0 IKABMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1OC ZINC000019567901 556808156 /nfs/dbraw/zinc/80/81/56/556808156.db2.gz RGVQEEZEABERCS-HXUWFJFHSA-N 1 1 436.508 5.205 40 0 IKABMO COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C1CCCCC1 ZINC000019570534 556810325 /nfs/dbraw/zinc/81/03/25/556810325.db2.gz BINZODGKSNFZEI-WXFUMESZSA-N 1 1 438.637 5.154 40 0 IKABMO Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000008892274 556851006 /nfs/dbraw/zinc/85/10/06/556851006.db2.gz HLYDHNXXNZTLMP-XZOQPEGZSA-N 1 1 447.325 5.798 40 0 IKABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695969 556852954 /nfs/dbraw/zinc/85/29/54/556852954.db2.gz NKPRFVSEXVMPFT-XMMPIXPASA-N 1 1 432.612 5.167 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019761754 556905323 /nfs/dbraw/zinc/90/53/23/556905323.db2.gz NZTQROPGBPFJIT-OAQYLSRUSA-N 1 1 447.627 5.004 40 0 IKABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330421 556905471 /nfs/dbraw/zinc/90/54/71/556905471.db2.gz PFRUPJQXTWCCGR-BWKNWUBXSA-N 1 1 449.620 5.314 40 0 IKABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000072330447 556905763 /nfs/dbraw/zinc/90/57/63/556905763.db2.gz OPUAYHSYFGHNBL-CPJSRVTESA-N 1 1 427.539 5.010 40 0 IKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330449 556905778 /nfs/dbraw/zinc/90/57/78/556905778.db2.gz JOEJFBSVOQAJAR-VOUDCSDKSA-N 1 1 431.624 5.635 40 0 IKABMO Cc1ccsc1C[N@H+]1CCC[C@H]([C@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000072330552 556906530 /nfs/dbraw/zinc/90/65/30/556906530.db2.gz HKPWKVCNGBNTTD-NVQXNPDNSA-N 1 1 433.621 5.154 40 0 IKABMO COc1ccc2cc(C[N@H+]3CCC[C@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000072330564 556906632 /nfs/dbraw/zinc/90/66/32/556906632.db2.gz VNGZSACNXGYWPK-IGKIAQTJSA-N 1 1 443.591 5.113 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc(F)cc3)cc2)ncc1C(=O)N(C)C ZINC000019764575 556909067 /nfs/dbraw/zinc/90/90/67/556909067.db2.gz JUXCVJUTWFYDBB-DEOSSOPVSA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccc(F)cc3)cc2)ncc1C(=O)N(C)C ZINC000019764575 556909069 /nfs/dbraw/zinc/90/90/69/556909069.db2.gz JUXCVJUTWFYDBB-DEOSSOPVSA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cccc(-c3ccccc3F)c2)ncc1C(=O)N(C)C ZINC000019765597 556910355 /nfs/dbraw/zinc/91/03/55/556910355.db2.gz ALDDLPNGDFWPKV-DEOSSOPVSA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cccc(-c3ccccc3F)c2)ncc1C(=O)N(C)C ZINC000019765597 556910358 /nfs/dbraw/zinc/91/03/58/556910358.db2.gz ALDDLPNGDFWPKV-DEOSSOPVSA-N 1 1 432.543 5.020 40 0 IKABMO C=C1[NH+]=C(SCc2ccc(Cl)cc2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408989724 556910895 /nfs/dbraw/zinc/91/08/95/556910895.db2.gz LSYDXXZIWQHSEO-NRFANRHFSA-N 1 1 444.984 5.510 40 0 IKABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341433 556913587 /nfs/dbraw/zinc/91/35/87/556913587.db2.gz LRWDIRNFKZDFFZ-GGAORHGYSA-N 1 1 441.641 5.190 40 0 IKABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341432 556913639 /nfs/dbraw/zinc/91/36/39/556913639.db2.gz LRWDIRNFKZDFFZ-GMAHTHKFSA-N 1 1 441.641 5.190 40 0 IKABMO CC(C)n1cc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000072352557 556924425 /nfs/dbraw/zinc/92/44/25/556924425.db2.gz YWGGLNMCNKHRFT-GOSISDBHSA-N 1 1 446.620 5.523 40 0 IKABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000072354590 556929879 /nfs/dbraw/zinc/92/98/79/556929879.db2.gz KMPZGCHNYVPICN-HXUWFJFHSA-N 1 1 428.458 5.090 40 0 IKABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1c(C)nn(C(C)C)c1C ZINC000072370489 556935062 /nfs/dbraw/zinc/93/50/62/556935062.db2.gz RXUGEOFHMVEKEL-LJQANCHMSA-N 1 1 438.641 5.252 40 0 IKABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000072371477 556939223 /nfs/dbraw/zinc/93/92/23/556939223.db2.gz ZCVUTFONNWJUCM-HXUWFJFHSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000072371477 556939226 /nfs/dbraw/zinc/93/92/26/556939226.db2.gz ZCVUTFONNWJUCM-HXUWFJFHSA-N 1 1 432.955 5.222 40 0 IKABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000072371477 556939229 /nfs/dbraw/zinc/93/92/29/556939229.db2.gz ZCVUTFONNWJUCM-HXUWFJFHSA-N 1 1 432.955 5.222 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3oc4ccccc4c3C)c2)s1 ZINC000072372583 556943036 /nfs/dbraw/zinc/94/30/36/556943036.db2.gz UUANQWBJKPLAKY-HXUWFJFHSA-N 1 1 432.549 5.930 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCn3ncc4ccccc43)c2)s1 ZINC000072372566 556943045 /nfs/dbraw/zinc/94/30/45/556943045.db2.gz ZJNOTXVOQIAEEI-QFIPXVFZSA-N 1 1 446.580 5.002 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)CCn3ncc4ccccc43)c2)s1 ZINC000072372567 556943139 /nfs/dbraw/zinc/94/31/39/556943139.db2.gz ZJNOTXVOQIAEEI-JOCHJYFZSA-N 1 1 446.580 5.002 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)c2)s1 ZINC000072372593 556943198 /nfs/dbraw/zinc/94/31/98/556943198.db2.gz JBOZQBTXFBJQPH-OAQYLSRUSA-N 1 1 449.555 5.507 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)c2)s1 ZINC000072372592 556943202 /nfs/dbraw/zinc/94/32/02/556943202.db2.gz JBOZQBTXFBJQPH-NRFANRHFSA-N 1 1 449.555 5.507 40 0 IKABMO Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3cc(Nc4ncccc4C)cc(C)[nH+]3)cc2s1 ZINC000072372623 556943374 /nfs/dbraw/zinc/94/33/74/556943374.db2.gz SKICRZRNUKIHNO-JOCHJYFZSA-N 1 1 443.576 5.732 40 0 IKABMO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)[nH+]1 ZINC000072372646 556943444 /nfs/dbraw/zinc/94/34/44/556943444.db2.gz PZUAIFZWNKRODE-DEOSSOPVSA-N 1 1 443.526 5.445 40 0 IKABMO Cc1nc2ccc(C(=O)N3CCC[C@H]3c3cc(Nc4ncccc4C)cc(C)[nH+]3)cc2s1 ZINC000072372622 556943457 /nfs/dbraw/zinc/94/34/57/556943457.db2.gz SKICRZRNUKIHNO-QFIPXVFZSA-N 1 1 443.576 5.732 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)c2)s1 ZINC000072372725 556944069 /nfs/dbraw/zinc/94/40/69/556944069.db2.gz AFJMBFIJMYZFKG-OAQYLSRUSA-N 1 1 438.572 5.679 40 0 IKABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)C(C)(C)c3ccccc3F)c2)n1 ZINC000072372722 556944132 /nfs/dbraw/zinc/94/41/32/556944132.db2.gz YJEQKCIHXYPWHZ-QHCPKHFHSA-N 1 1 447.558 5.321 40 0 IKABMO COCc1cc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)ccc1OC(C)C ZINC000072376454 556954643 /nfs/dbraw/zinc/95/46/43/556954643.db2.gz ZNAMJNMPOSNKGR-QHCPKHFHSA-N 1 1 447.583 5.194 40 0 IKABMO COCc1cc(C[N@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)ccc1OC(C)C ZINC000072376454 556954646 /nfs/dbraw/zinc/95/46/46/556954646.db2.gz ZNAMJNMPOSNKGR-QHCPKHFHSA-N 1 1 447.583 5.194 40 0 IKABMO CCn1ncc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000072376645 556955409 /nfs/dbraw/zinc/95/54/09/556955409.db2.gz NOUSDTGPGZYFKY-JOCHJYFZSA-N 1 1 439.007 5.115 40 0 IKABMO CCOc1ccc(C[N@H+]2C[C@H](c3cc(C(F)F)n[nH]3)[C@@H](c3ccccc3)C2)cc1OC ZINC000072389757 556959864 /nfs/dbraw/zinc/95/98/64/556959864.db2.gz QQHSUQJLVUVKPH-MOPGFXCFSA-N 1 1 427.495 5.138 40 0 IKABMO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072391339 556962008 /nfs/dbraw/zinc/96/20/08/556962008.db2.gz GWPUSDSGGLNEKR-FQEVSTJZSA-N 1 1 440.526 5.196 40 0 IKABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000072396803 556969656 /nfs/dbraw/zinc/96/96/56/556969656.db2.gz SBYZYISQQZSAKO-OAQYLSRUSA-N 1 1 441.579 5.094 40 0 IKABMO CCc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398614 556970272 /nfs/dbraw/zinc/97/02/72/556970272.db2.gz WKYZAVFTGFUEMZ-DFBJGRDBSA-N 1 1 433.596 5.506 40 0 IKABMO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020110172 556984882 /nfs/dbraw/zinc/98/48/82/556984882.db2.gz UTWXYEIYDIUEGI-MHZLTWQESA-N 1 1 442.603 5.395 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 ZINC000216839388 557157427 /nfs/dbraw/zinc/15/74/27/557157427.db2.gz NPYSVZZOKJPIKE-CQSZACIVSA-N 1 1 432.305 5.331 40 0 IKABMO C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@H]2C(=O)CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000095951561 557162611 /nfs/dbraw/zinc/16/26/11/557162611.db2.gz HBCKQDJNNYSOKP-HXNUEKDGSA-N 1 1 434.580 5.042 40 0 IKABMO C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000095951564 557162686 /nfs/dbraw/zinc/16/26/86/557162686.db2.gz PNEZUKVPMORBBH-SRPRTCBCSA-N 1 1 434.580 5.042 40 0 IKABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740261 557257506 /nfs/dbraw/zinc/25/75/06/557257506.db2.gz MWBRWQVMOTXTMX-KDURUIRLSA-N 1 1 430.983 6.219 40 0 IKABMO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774859 557264684 /nfs/dbraw/zinc/26/46/84/557264684.db2.gz PTWPLXVMNNTQFN-GGAORHGYSA-N 1 1 428.020 5.773 40 0 IKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501066 557324318 /nfs/dbraw/zinc/32/43/18/557324318.db2.gz QUSOATSFHYBNDL-HSZRJFAPSA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501066 557324322 /nfs/dbraw/zinc/32/43/22/557324322.db2.gz QUSOATSFHYBNDL-HSZRJFAPSA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501158 557324617 /nfs/dbraw/zinc/32/46/17/557324617.db2.gz ZQZXLQCLQKDLIS-XMMPIXPASA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501120 557324716 /nfs/dbraw/zinc/32/47/16/557324716.db2.gz RUVLJMXLYQKUAT-HSZRJFAPSA-N 1 1 448.615 5.224 40 0 IKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499290 557328511 /nfs/dbraw/zinc/32/85/11/557328511.db2.gz RQMUQROSLHQVCQ-DEOSSOPVSA-N 1 1 448.615 5.224 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072215852 557342708 /nfs/dbraw/zinc/34/27/08/557342708.db2.gz ULMZNUYWPVPWSI-XMMPIXPASA-N 1 1 429.564 6.492 40 0 IKABMO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCN(Cc4ccccc4)C[C@@H]3c3ccccc3)c2c1 ZINC000013563990 557354020 /nfs/dbraw/zinc/35/40/20/557354020.db2.gz LFBLAPKRGFZMMM-XRKRLSELSA-N 1 1 439.603 5.367 40 0 IKABMO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222626204 557364622 /nfs/dbraw/zinc/36/46/22/557364622.db2.gz NYOCDVZWJASLOA-INIZCTEOSA-N 1 1 447.391 5.363 40 0 IKABMO O=C(CCc1cccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000222667045 557370712 /nfs/dbraw/zinc/37/07/12/557370712.db2.gz CIRRRXKNITXOJP-UHFFFAOYSA-N 1 1 434.583 5.706 40 0 IKABMO Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000013616281 557378167 /nfs/dbraw/zinc/37/81/67/557378167.db2.gz HLYDHNXXNZTLMP-GOTSBHOMSA-N 1 1 447.325 5.798 40 0 IKABMO Cc1cccc(CSCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000222738560 557381437 /nfs/dbraw/zinc/38/14/37/557381437.db2.gz IHMDDDYIOFNNQJ-UHFFFAOYSA-N 1 1 430.617 5.162 40 0 IKABMO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000222800406 557387790 /nfs/dbraw/zinc/38/77/90/557387790.db2.gz FQLZTIGGTLHJQU-UHFFFAOYSA-N 1 1 437.381 5.131 40 0 IKABMO CCc1ccc(O[C@H](CC)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000222884540 557397969 /nfs/dbraw/zinc/39/79/69/557397969.db2.gz ODZCKJAUEDCXFY-HHHXNRCGSA-N 1 1 442.603 5.340 40 0 IKABMO C[C@H]1CC[C@H]2[C@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OC[N@H+]2C1 ZINC000118915995 557405813 /nfs/dbraw/zinc/40/58/13/557405813.db2.gz GRMUAQMHJKQVFL-UADDZZBXSA-N 1 1 427.673 5.629 40 0 IKABMO C[C@H]1CC[C@@H]2[C@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OC[N@H+]2C1 ZINC000118915991 557405829 /nfs/dbraw/zinc/40/58/29/557405829.db2.gz GRMUAQMHJKQVFL-YKFKSESESA-N 1 1 427.673 5.629 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000223104548 557431843 /nfs/dbraw/zinc/43/18/43/557431843.db2.gz SBOVOMRYOLHVNH-RUZDIDTESA-N 1 1 443.006 5.837 40 0 IKABMO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2Cl)CC1 ZINC000014273660 557433231 /nfs/dbraw/zinc/43/32/31/557433231.db2.gz NQHVJBFXCWCRET-UHFFFAOYSA-N 1 1 442.003 5.157 40 0 IKABMO CCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000014273638 557433250 /nfs/dbraw/zinc/43/32/50/557433250.db2.gz KIDHLOTVDJHVSP-UHFFFAOYSA-N 1 1 449.982 5.313 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223144420 557438856 /nfs/dbraw/zinc/43/88/56/557438856.db2.gz RFKOGVMNHIOOEA-VWLOTQADSA-N 1 1 443.006 5.837 40 0 IKABMO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000223367845 557463492 /nfs/dbraw/zinc/46/34/92/557463492.db2.gz VAHQGKNMOUPOEW-PZJWPPBQSA-N 1 1 426.576 5.356 40 0 IKABMO O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223415625 557469211 /nfs/dbraw/zinc/46/92/11/557469211.db2.gz HFVFXBNYUPWBQQ-UHFFFAOYSA-N 1 1 432.523 6.397 40 0 IKABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000017096781 557477668 /nfs/dbraw/zinc/47/76/68/557477668.db2.gz DUHLEGQBURVALG-UHFFFAOYSA-N 1 1 430.335 5.258 40 0 IKABMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000019880209 557509631 /nfs/dbraw/zinc/50/96/31/557509631.db2.gz FMZHLCDGPJECMI-QZTZHPFYSA-N 1 1 434.605 5.816 40 0 IKABMO O=C(CSc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238411 557518990 /nfs/dbraw/zinc/51/89/90/557518990.db2.gz SYLQNGLPBSJWRL-UHFFFAOYSA-N 1 1 437.008 5.366 40 0 IKABMO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1Cl ZINC000224119932 557563871 /nfs/dbraw/zinc/56/38/71/557563871.db2.gz ZXNIFXQVHYQOLD-UHFFFAOYSA-N 1 1 434.967 5.016 40 0 IKABMO CCC1(CC)C[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000224389285 557600540 /nfs/dbraw/zinc/60/05/40/557600540.db2.gz QSSYGAMKRJMJQA-OFNKIYASSA-N 1 1 441.015 5.751 40 0 IKABMO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000224541898 557618860 /nfs/dbraw/zinc/61/88/60/557618860.db2.gz XDCZBJAYDGDWJL-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224541963 557619032 /nfs/dbraw/zinc/61/90/32/557619032.db2.gz JLMHBZPKFRTSPY-UHFFFAOYSA-N 1 1 439.386 6.096 40 0 IKABMO Cc1ccc(SCc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)cc1 ZINC000224542056 557619063 /nfs/dbraw/zinc/61/90/63/557619063.db2.gz SMCXDFKVVYUWQX-UHFFFAOYSA-N 1 1 446.616 5.050 40 0 IKABMO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000224543954 557619415 /nfs/dbraw/zinc/61/94/15/557619415.db2.gz PAUBGBZOFLMEIT-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544424 557619688 /nfs/dbraw/zinc/61/96/88/557619688.db2.gz IVCZHUCMKADYNH-UHFFFAOYSA-N 1 1 441.786 5.054 40 0 IKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000224545691 557620065 /nfs/dbraw/zinc/62/00/65/557620065.db2.gz WGNLWCZOHNYXJJ-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224549593 557620924 /nfs/dbraw/zinc/62/09/24/557620924.db2.gz IMWKWQYQYHAHSH-UHFFFAOYSA-N 1 1 436.914 6.229 40 0 IKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1CSc1ccccc1 ZINC000224655394 557636727 /nfs/dbraw/zinc/63/67/27/557636727.db2.gz UKXPNQFVWZGYSH-UHFFFAOYSA-N 1 1 446.616 5.336 40 0 IKABMO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224884662 557662384 /nfs/dbraw/zinc/66/23/84/557662384.db2.gz AKRXNXKMEHKTMG-UHFFFAOYSA-N 1 1 447.284 5.743 40 0 IKABMO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224926557 557667805 /nfs/dbraw/zinc/66/78/05/557667805.db2.gz UHLYMSYYVRSOJW-UHFFFAOYSA-N 1 1 432.395 5.444 40 0 IKABMO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224926674 557667827 /nfs/dbraw/zinc/66/78/27/557667827.db2.gz IUPHBSGFRYWDSA-UHFFFAOYSA-N 1 1 432.395 5.444 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000225473952 557727063 /nfs/dbraw/zinc/72/70/63/557727063.db2.gz WXVQPYHWXMKOJV-QFIPXVFZSA-N 1 1 432.967 5.276 40 0 IKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225516608 557733911 /nfs/dbraw/zinc/73/39/11/557733911.db2.gz ZSVBLGAMVWFCIJ-NRFANRHFSA-N 1 1 438.587 5.920 40 0 IKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225516568 557733923 /nfs/dbraw/zinc/73/39/23/557733923.db2.gz ZSVBLGAMVWFCIJ-OAQYLSRUSA-N 1 1 438.587 5.920 40 0 IKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)C1 ZINC000225545081 557739646 /nfs/dbraw/zinc/73/96/46/557739646.db2.gz DDLCFBIWMRRYQP-NRFANRHFSA-N 1 1 438.587 5.777 40 0 IKABMO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574936 557745476 /nfs/dbraw/zinc/74/54/76/557745476.db2.gz DYOOOJDZLHKELY-UHFFFAOYSA-N 1 1 425.729 5.092 40 0 IKABMO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225576292 557745622 /nfs/dbraw/zinc/74/56/22/557745622.db2.gz AGWCBLCQTIUTLJ-UHFFFAOYSA-N 1 1 435.008 5.049 40 0 IKABMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577918 557746031 /nfs/dbraw/zinc/74/60/31/557746031.db2.gz SIMAVXQJGBDXRY-UHFFFAOYSA-N 1 1 449.275 6.002 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(C(C)(C)C)cc1 ZINC000225581831 557746565 /nfs/dbraw/zinc/74/65/65/557746565.db2.gz WVBPMOLPFYPIAW-QGZVFWFLSA-N 1 1 430.995 5.866 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000225655022 557757505 /nfs/dbraw/zinc/75/75/05/557757505.db2.gz SRAYBBBCNHHCQF-JOCHJYFZSA-N 1 1 449.422 5.790 40 0 IKABMO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000225719809 557768159 /nfs/dbraw/zinc/76/81/59/557768159.db2.gz MJXCMVZLIYXEQB-UHFFFAOYSA-N 1 1 445.312 5.541 40 0 IKABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cc(-c2ccc(Cl)cc2)on1 ZINC000225899104 557789441 /nfs/dbraw/zinc/78/94/41/557789441.db2.gz ZUANZSFJPSRARG-UHFFFAOYSA-N 1 1 427.291 5.039 40 0 IKABMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225908791 557790746 /nfs/dbraw/zinc/79/07/46/557790746.db2.gz OYJZIIIQSMPKMV-ZDUSSCGKSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225908791 557790748 /nfs/dbraw/zinc/79/07/48/557790748.db2.gz OYJZIIIQSMPKMV-ZDUSSCGKSA-N 1 1 432.178 6.151 40 0 IKABMO C[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967353 557829493 /nfs/dbraw/zinc/82/94/93/557829493.db2.gz LBMQWGLSKLHDSA-ONEAYSBLSA-N 1 1 445.606 7.163 40 0 IKABMO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000026780378 568739063 /nfs/dbraw/zinc/73/90/63/568739063.db2.gz XRXNVLYFDWQKBV-QFIPXVFZSA-N 1 1 442.619 5.101 40 0 IKABMO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000026780380 568739067 /nfs/dbraw/zinc/73/90/67/568739067.db2.gz XRXNVLYFDWQKBV-JOCHJYFZSA-N 1 1 442.619 5.101 40 0 IKABMO CC(C)(C)c1ccc(C(=O)CN(c2ccc(OC(F)F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006858837 568792165 /nfs/dbraw/zinc/79/21/65/568792165.db2.gz YDDKUPJKNMLVCN-UHFFFAOYSA-N 1 1 428.523 6.247 40 0 IKABMO C[C@H]1CCCC[N@H+]1Cc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000216839341 568862556 /nfs/dbraw/zinc/86/25/56/568862556.db2.gz LBYYUHPIBJSMIJ-AWEZNQCLSA-N 1 1 432.305 5.474 40 0 IKABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 ZINC000216839497 568862876 /nfs/dbraw/zinc/86/28/76/568862876.db2.gz RZZCGPHSEQOMKY-GASCZTMLSA-N 1 1 446.332 5.577 40 0 IKABMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100389 568872630 /nfs/dbraw/zinc/87/26/30/568872630.db2.gz LETASVTYCGFFBU-NDEPHWFRSA-N 1 1 447.598 5.677 40 0 IKABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@H+]4Cc4cccc(F)c4)CC3)oc21 ZINC000585100708 568872798 /nfs/dbraw/zinc/87/27/98/568872798.db2.gz UJEZHWNAMLTANG-AREMUKBSSA-N 1 1 436.527 5.241 40 0 IKABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccccc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000585260849 568873678 /nfs/dbraw/zinc/87/36/78/568873678.db2.gz XCGGNQGBECOWIH-RUZDIDTESA-N 1 1 440.584 5.086 40 0 IKABMO CCc1cc([C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298712 568897437 /nfs/dbraw/zinc/89/74/37/568897437.db2.gz GXDXEDQFFMXWET-QHCPKHFHSA-N 1 1 437.584 5.039 40 0 IKABMO c1cc2n(c1)-c1ccccc1N[C@@]21CCC[N@H+](CCC(c2ccccc2)c2ccccc2)C1 ZINC000013564191 568904994 /nfs/dbraw/zinc/90/49/94/568904994.db2.gz COJUZJPGFKPJMQ-SSEXGKCCSA-N 1 1 433.599 6.416 40 0 IKABMO CCc1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551852 569098037 /nfs/dbraw/zinc/09/80/37/569098037.db2.gz MHLDTHPTJKJPHY-QHCPKHFHSA-N 1 1 439.024 6.792 40 0 IKABMO CCc1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551850 569098095 /nfs/dbraw/zinc/09/80/95/569098095.db2.gz MHLDTHPTJKJPHY-HSZRJFAPSA-N 1 1 439.024 6.792 40 0 IKABMO COc1cc(OC)c(C(=O)CN(c2cccc(C)c2)C2=[NH+]CCCC2)cc1Br ZINC000016769172 569161640 /nfs/dbraw/zinc/16/16/40/569161640.db2.gz NUMAEFREWYJNHL-UHFFFAOYSA-N 1 1 445.357 5.046 40 0 IKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019014387 569226141 /nfs/dbraw/zinc/22/61/41/569226141.db2.gz JOEJFBSVOQAJAR-CMTIOCDXSA-N 1 1 431.624 5.635 40 0 IKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019014389 569226155 /nfs/dbraw/zinc/22/61/55/569226155.db2.gz NEXFORKBUORCEF-AMSKCWDJSA-N 1 1 439.603 5.297 40 0 IKABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000019234964 569226162 /nfs/dbraw/zinc/22/61/62/569226162.db2.gz HIXPCWQFYIIFFW-LBNVMWSVSA-N 1 1 427.592 5.092 40 0 IKABMO Cc1ccsc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000019238616 569226448 /nfs/dbraw/zinc/22/64/48/569226448.db2.gz HKPWKVCNGBNTTD-ATIYNZHBSA-N 1 1 433.621 5.154 40 0 IKABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000019577347 569227234 /nfs/dbraw/zinc/22/72/34/569227234.db2.gz BRZXNEAPIYYDAO-SQJMNOBHSA-N 1 1 449.620 5.152 40 0 IKABMO COc1ccc(OCCc2sc([C@]3(O)CCC[N@H+](C4CCCCC4)CC3)nc2C)cc1 ZINC000019705423 569234265 /nfs/dbraw/zinc/23/42/65/569234265.db2.gz RTUBZMWOSXXHED-VWLOTQADSA-N 1 1 444.641 5.088 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccccc1C ZINC000019713383 569235671 /nfs/dbraw/zinc/23/56/71/569235671.db2.gz UMQVFMDSSVJCHZ-XNMGPUDCSA-N 1 1 436.644 5.325 40 0 IKABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019738747 569235901 /nfs/dbraw/zinc/23/59/01/569235901.db2.gz ZWGUCVYAQBWNRD-HSZRJFAPSA-N 1 1 438.584 5.071 40 0 IKABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3cccc(F)c3)CC2)sc1CCOc1ccccc1 ZINC000019738687 569235911 /nfs/dbraw/zinc/23/59/11/569235911.db2.gz CNIMHYJTYMKPTF-RUZDIDTESA-N 1 1 440.584 5.086 40 0 IKABMO COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044937105 569249416 /nfs/dbraw/zinc/24/94/16/569249416.db2.gz RSIAANWTGKPVES-XUZZJYLKSA-N 1 1 429.004 5.464 40 0 IKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000108023256 569252027 /nfs/dbraw/zinc/25/20/27/569252027.db2.gz NZNJHMIEZBCTRS-UHFFFAOYSA-N 1 1 446.616 5.158 40 0 IKABMO Cc1cc(N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)nc(C)[nH+]1 ZINC000257204346 569275722 /nfs/dbraw/zinc/27/57/22/569275722.db2.gz AUCLONJAEVRTMD-UHFFFAOYSA-N 1 1 426.486 5.482 40 0 IKABMO CC(=O)N1CCCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@H]21 ZINC000257207178 569275731 /nfs/dbraw/zinc/27/57/31/569275731.db2.gz BGRCWYZGDNWFRR-ZJSXRUAMSA-N 1 1 426.988 5.142 40 0 IKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2cccc3ccncc32)CC1 ZINC000257208006 569275817 /nfs/dbraw/zinc/27/58/17/569275817.db2.gz BKGXJJJMEBPGTK-JOCHJYFZSA-N 1 1 438.575 5.273 40 0 IKABMO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CCOCC3)c2)c1 ZINC000257218711 569276194 /nfs/dbraw/zinc/27/61/94/569276194.db2.gz DEEYZDQDISGNMV-DEOSSOPVSA-N 1 1 448.651 5.300 40 0 IKABMO CCOc1ccc(COC)cc1C[N@H+]1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257219146 569276246 /nfs/dbraw/zinc/27/62/46/569276246.db2.gz DFUMHQMTJLBJAV-DEOSSOPVSA-N 1 1 448.582 5.736 40 0 IKABMO Cc1nc2c(C)cccn2c1C[N@H+]1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257232491 569276619 /nfs/dbraw/zinc/27/66/19/569276619.db2.gz GLBROZWTOZYZMT-QHCPKHFHSA-N 1 1 428.555 5.456 40 0 IKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+](Cc4ccc5c(c4)CC(C)(C)O5)C3)nc2)c1 ZINC000257234360 569276638 /nfs/dbraw/zinc/27/66/38/569276638.db2.gz GTEVURLXOGYNDD-DEOSSOPVSA-N 1 1 442.603 5.774 40 0 IKABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cc3cccc(OC)c3)cn2)c2ccc(F)cc21 ZINC000257237601 569276783 /nfs/dbraw/zinc/27/67/83/569276783.db2.gz HHFSUZPWDDYIEG-HHHXNRCGSA-N 1 1 443.566 6.132 40 0 IKABMO Cc1c(C[N@H+]2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)oc2ccc(C)cc12 ZINC000257241915 569276860 /nfs/dbraw/zinc/27/68/60/569276860.db2.gz IAFKJXIADCKNDQ-ZJSXRUAMSA-N 1 1 447.623 6.093 40 0 IKABMO CCCC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257258465 569277321 /nfs/dbraw/zinc/27/73/21/569277321.db2.gz KUAPTIFNGNUZSR-UHFFFAOYSA-N 1 1 440.672 6.181 40 0 IKABMO O=C(C[N@@H+]1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1)Nc1ccc(F)cc1 ZINC000257264421 569277398 /nfs/dbraw/zinc/27/73/98/569277398.db2.gz LUHJCDQQQJYCHL-HXUWFJFHSA-N 1 1 437.946 5.283 40 0 IKABMO O=C(C[N@H+]1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1)Nc1ccc(F)cc1 ZINC000257264421 569277399 /nfs/dbraw/zinc/27/73/99/569277399.db2.gz LUHJCDQQQJYCHL-HXUWFJFHSA-N 1 1 437.946 5.283 40 0 IKABMO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1Oc1ccccc1 ZINC000257266049 569277503 /nfs/dbraw/zinc/27/75/03/569277503.db2.gz MBIVURTWTOYOGR-XCZPVHLTSA-N 1 1 446.591 5.243 40 0 IKABMO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1Oc1ccccc1 ZINC000257266049 569277504 /nfs/dbraw/zinc/27/75/04/569277504.db2.gz MBIVURTWTOYOGR-XCZPVHLTSA-N 1 1 446.591 5.243 40 0 IKABMO C[N@@H+](CC1CCCCCCC1)C1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 ZINC000257278901 569277751 /nfs/dbraw/zinc/27/77/51/569277751.db2.gz OECZKJYCKNPEOY-UHFFFAOYSA-N 1 1 438.656 5.791 40 0 IKABMO COc1cccc2cc(C[N@H+]3CC[C@@H](c4c5ccccc5sc4C(=O)N(C)C)C3)oc21 ZINC000257291281 569278251 /nfs/dbraw/zinc/27/82/51/569278251.db2.gz QGIWTMZVNLKQCK-QGZVFWFLSA-N 1 1 434.561 5.347 40 0 IKABMO COCc1cc(C[N@H+]2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)ccc1OC(C)C ZINC000257291553 569278258 /nfs/dbraw/zinc/27/82/58/569278258.db2.gz QHMXNZLCYDDGMS-MHZLTWQESA-N 1 1 448.582 6.082 40 0 IKABMO Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccc3)[C@H]2O)cc1 ZINC000257294337 569278406 /nfs/dbraw/zinc/27/84/06/569278406.db2.gz QTQYQSZTMLUDEC-DGWZTRNLSA-N 1 1 435.539 5.719 40 0 IKABMO COc1cccc(CNc2cc(-c3cnc(C)nc3[C@H]3CCC[N@H+](C(C)C)C3)ccn2)c1 ZINC000257298440 569278515 /nfs/dbraw/zinc/27/85/15/569278515.db2.gz RLPMILJDCVIRAO-QFIPXVFZSA-N 1 1 431.584 5.056 40 0 IKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3cccnc32)CC1 ZINC000257306673 569278654 /nfs/dbraw/zinc/27/86/54/569278654.db2.gz SVHQWQBRSQATTE-QFIPXVFZSA-N 1 1 438.575 5.273 40 0 IKABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4ccc(Cc5cccc(F)c5)cn4)C3)ccc2O1 ZINC000257318819 569279083 /nfs/dbraw/zinc/27/90/83/569279083.db2.gz VPNBAEKUHTZFPY-QHCPKHFHSA-N 1 1 430.567 5.905 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322224 569279219 /nfs/dbraw/zinc/27/92/19/569279219.db2.gz WFCJOGZGQRLQQN-KNQAVFIVSA-N 1 1 431.983 5.522 40 0 IKABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccc2ccccc21 ZINC000257334678 569279525 /nfs/dbraw/zinc/27/95/25/569279525.db2.gz YGYRTBYLHDXKKV-XZZSEQHWSA-N 1 1 439.603 5.324 40 0 IKABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C1)CCC2 ZINC000257332304 569279562 /nfs/dbraw/zinc/27/95/62/569279562.db2.gz XWRUPDSOYWJZHA-DEOSSOPVSA-N 1 1 447.022 6.203 40 0 IKABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4ccc(Cc5ccc(Cl)cc5)cn4)C3)ccc2O1 ZINC000257341670 569279817 /nfs/dbraw/zinc/27/98/17/569279817.db2.gz ZLJCORPCPZPWRO-HSZRJFAPSA-N 1 1 447.022 6.419 40 0 IKABMO CC(C)n1cc(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000257339598 569279855 /nfs/dbraw/zinc/27/98/55/569279855.db2.gz ZCKRLWNVEXXKTD-IBGZPJMESA-N 1 1 445.632 6.128 40 0 IKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812378 569281797 /nfs/dbraw/zinc/28/17/97/569281797.db2.gz AVVRMCJSCIGUMF-NVQXNPDNSA-N 1 1 432.649 5.892 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@H]4C)cc3)CCCC2)c1 ZINC000260818172 569281913 /nfs/dbraw/zinc/28/19/13/569281913.db2.gz WLPYOVNXHPVZNT-HSZRJFAPSA-N 1 1 434.624 6.089 40 0 IKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCCC2)c1 ZINC000260812394 569281931 /nfs/dbraw/zinc/28/19/31/569281931.db2.gz BARJGMNHPOWWNZ-DEOSSOPVSA-N 1 1 448.651 6.336 40 0 IKABMO COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C(C)C ZINC000260934921 569281991 /nfs/dbraw/zinc/28/19/91/569281991.db2.gz NLTIXJDTXBSUFV-FPOVZHCZSA-N 1 1 443.031 5.870 40 0 IKABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260949463 569282045 /nfs/dbraw/zinc/28/20/45/569282045.db2.gz XFEFREDSUKETQO-UKILVPOCSA-N 1 1 425.016 5.698 40 0 IKABMO CC(C)c1nc(NCc2ccccc2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329011416 569285374 /nfs/dbraw/zinc/28/53/74/569285374.db2.gz MEFRMIVNDXAFEJ-UHFFFAOYSA-N 1 1 442.485 5.673 40 0 IKABMO CC(C)c1nc(NC2CCCCC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000329032275 569285404 /nfs/dbraw/zinc/28/54/04/569285404.db2.gz QOKCJMZQPYNTPK-UHFFFAOYSA-N 1 1 434.506 5.806 40 0 IKABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccccc3C)CC2)sc1CCOc1ccccc1 ZINC000019738683 569328240 /nfs/dbraw/zinc/32/82/40/569328240.db2.gz GQVVCNVFICLATI-SANMLTNESA-N 1 1 436.621 5.255 40 0 IKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccc(F)cc1 ZINC000022076341 520724570 /nfs/dbraw/zinc/72/45/70/520724570.db2.gz IMBFCICHAFKZIW-UHFFFAOYSA-N 1 1 434.305 5.449 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1Cl ZINC000022516292 521514088 /nfs/dbraw/zinc/51/40/88/521514088.db2.gz KYUXOEINUKBZON-UHFFFAOYSA-N 1 1 448.950 5.327 40 0 IKABMO COc1ccccc1C(=O)c1c(NC(=O)C[N@H+](C)C2CCCCC2)sc2c1CCCC2 ZINC000012636058 524363155 /nfs/dbraw/zinc/36/31/55/524363155.db2.gz XLKKHFIDTJMPNG-UHFFFAOYSA-N 1 1 440.609 5.070 40 0 IKABMO COc1ccccc1C(=O)c1c(NC(=O)C[N@@H+](C)C2CCCCC2)sc2c1CCCC2 ZINC000012636058 524363165 /nfs/dbraw/zinc/36/31/65/524363165.db2.gz XLKKHFIDTJMPNG-UHFFFAOYSA-N 1 1 440.609 5.070 40 0 IKABMO C[C@H](CN[C@@H](Cc1ccccc1)c1ccccc1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000022580833 524494538 /nfs/dbraw/zinc/49/45/38/524494538.db2.gz TZTINWHNVDZMRN-IUNZSJPTSA-N 1 1 434.627 6.522 40 0 IKABMO C[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000035930595 525094829 /nfs/dbraw/zinc/09/48/29/525094829.db2.gz BPODYCZWRPAIBO-UUAGDVGUSA-N 1 1 437.627 7.295 40 0 IKABMO C[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000035930590 525116194 /nfs/dbraw/zinc/11/61/94/525116194.db2.gz BPODYCZWRPAIBO-NPHRAETBSA-N 1 1 437.627 7.295 40 0 IKABMO Cc1cc2nc(C3CC[NH+](CC(=O)Nc4ccccc4C(F)(F)F)CC3)[nH]c2cc1C ZINC000035291743 525671224 /nfs/dbraw/zinc/67/12/24/525671224.db2.gz HGFKMWDFLXXMNA-UHFFFAOYSA-N 1 1 430.474 5.017 40 0 IKABMO S=C(Nc1cc(Cl)cc(Cl)c1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035883177 526385599 /nfs/dbraw/zinc/38/55/99/526385599.db2.gz RJSBLMGVGPVIET-OBNJBMLMSA-N 1 1 436.452 5.585 40 0 IKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1N1CCCCCC1 ZINC000012877184 526730750 /nfs/dbraw/zinc/73/07/50/526730750.db2.gz JWVZFTGMXJQUKT-UHFFFAOYSA-N 1 1 448.636 5.495 40 0 IKABMO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccco2)c(Cl)c1 ZINC000022076337 526951283 /nfs/dbraw/zinc/95/12/83/526951283.db2.gz YGKQRDNCAPCZOT-UHFFFAOYSA-N 1 1 441.152 6.218 40 0 IKABMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000408573119 555922965 /nfs/dbraw/zinc/92/29/65/555922965.db2.gz MBLPFFNXHOVOFG-JLHYYAGUSA-N 1 1 435.955 5.394 40 0 IKABMO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000408575852 555926334 /nfs/dbraw/zinc/92/63/34/555926334.db2.gz NTKDNTNVNPZYCG-UHFFFAOYSA-N 1 1 442.559 5.454 40 0 IKABMO C[NH+]1CCN(C(=S)c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)CC1 ZINC000408577429 555928372 /nfs/dbraw/zinc/92/83/72/555928372.db2.gz SNTFPOXTQMPEGS-UHFFFAOYSA-N 1 1 429.800 5.149 40 0 IKABMO O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004882397 556017569 /nfs/dbraw/zinc/01/75/69/556017569.db2.gz MKAFJNDFSIJRBA-QILAJZQNSA-N 1 1 425.576 6.061 40 0 IKABMO O=C(CCSCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013688085 556277787 /nfs/dbraw/zinc/27/77/87/556277787.db2.gz WHHPMGKKHXDILI-UHFFFAOYSA-N 1 1 430.617 5.244 40 0 IKABMO CC[C@@H](Oc1ccccc1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009339 556354097 /nfs/dbraw/zinc/35/40/97/556354097.db2.gz ZCEBEZXMHDSBRJ-RUZDIDTESA-N 1 1 428.576 5.086 40 0 IKABMO Cc1cccc(CSCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039748626 556438403 /nfs/dbraw/zinc/43/84/03/556438403.db2.gz CHFUPELMJXOQBC-UHFFFAOYSA-N 1 1 435.008 5.049 40 0 IKABMO Cc1cccc2cc(C[N@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500605 556509612 /nfs/dbraw/zinc/50/96/12/556509612.db2.gz HDZJPZWRVUTDQT-DEOSSOPVSA-N 1 1 448.615 5.080 40 0 IKABMO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000030854486 556509830 /nfs/dbraw/zinc/50/98/30/556509830.db2.gz LIPRDQINGCBFRL-NDEPHWFRSA-N 1 1 442.603 5.771 40 0 IKABMO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000030938244 556515574 /nfs/dbraw/zinc/51/55/74/556515574.db2.gz GVLWSKJIOUPUCC-UHFFFAOYSA-N 1 1 429.402 5.642 40 0 IKABMO O=C(Nc1ccc(Br)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030938511 556515630 /nfs/dbraw/zinc/51/56/30/556515630.db2.gz FOIGEMQGQLXXIU-AWEZNQCLSA-N 1 1 425.729 5.092 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)C1 ZINC000030943266 556516595 /nfs/dbraw/zinc/51/65/95/556516595.db2.gz DHRQCJCDPXVPDT-LJQANCHMSA-N 1 1 446.978 6.055 40 0 IKABMO CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000030945241 556516979 /nfs/dbraw/zinc/51/69/79/556516979.db2.gz YGGWKOAFXHPMOS-HXUWFJFHSA-N 1 1 445.994 6.319 40 0 IKABMO C[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 ZINC000034896155 556586082 /nfs/dbraw/zinc/58/60/82/556586082.db2.gz MZIWRSXHNVMYEY-BUORGSTGSA-N 1 1 439.650 5.665 40 0 IKABMO C[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 ZINC000034896155 556586084 /nfs/dbraw/zinc/58/60/84/556586084.db2.gz MZIWRSXHNVMYEY-BUORGSTGSA-N 1 1 439.650 5.665 40 0 IKABMO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)[C@@H]1CCCC=C1[NH+]1CCCCC1 ZINC000016249389 556594496 /nfs/dbraw/zinc/59/44/96/556594496.db2.gz KRZMLUCWKMLMMF-SHQCIBLASA-N 1 1 427.592 6.188 40 0 IKABMO O=C(C[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000016477307 556610977 /nfs/dbraw/zinc/61/09/77/556610977.db2.gz FOJZLNSBARGTIK-DEOSSOPVSA-N 1 1 439.386 6.130 40 0 IKABMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833080 556622113 /nfs/dbraw/zinc/62/21/13/556622113.db2.gz LTBQCGCJLNACIW-RUZDIDTESA-N 1 1 432.995 5.781 40 0 IKABMO O=C([C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833081 556622208 /nfs/dbraw/zinc/62/22/08/556622208.db2.gz LTBQCGCJLNACIW-VWLOTQADSA-N 1 1 432.995 5.781 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038834480 556622471 /nfs/dbraw/zinc/62/24/71/556622471.db2.gz XZGYZPKVSBYMDG-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038834481 556622509 /nfs/dbraw/zinc/62/25/09/556622509.db2.gz CKBAWJXWXRAHCM-UHFFFAOYSA-N 1 1 435.351 5.021 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834464 556622527 /nfs/dbraw/zinc/62/25/27/556622527.db2.gz XFBXTOXHJPQRLW-QGZVFWFLSA-N 1 1 435.351 5.021 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834464 556622528 /nfs/dbraw/zinc/62/25/28/556622528.db2.gz XFBXTOXHJPQRLW-QGZVFWFLSA-N 1 1 435.351 5.021 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834699 556622832 /nfs/dbraw/zinc/62/28/32/556622832.db2.gz HFOJDGCMNXHJMC-CQSZACIVSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834699 556622833 /nfs/dbraw/zinc/62/28/33/556622833.db2.gz HFOJDGCMNXHJMC-CQSZACIVSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834704 556622837 /nfs/dbraw/zinc/62/28/37/556622837.db2.gz BDQNHVRDWUVXHN-ZDUSSCGKSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834704 556622838 /nfs/dbraw/zinc/62/28/38/556622838.db2.gz BDQNHVRDWUVXHN-ZDUSSCGKSA-N 1 1 431.285 5.863 40 0 IKABMO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038835026 556623038 /nfs/dbraw/zinc/62/30/38/556623038.db2.gz GBATZIKGQOUOOG-UHFFFAOYSA-N 1 1 432.178 6.151 40 0 IKABMO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038836691 556623423 /nfs/dbraw/zinc/62/34/23/556623423.db2.gz FRGJSMUDFMYGBJ-UHFFFAOYSA-N 1 1 437.436 5.422 40 0 IKABMO O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038837550 556623689 /nfs/dbraw/zinc/62/36/89/556623689.db2.gz NKRRUGZOWKZYTQ-IBGZPJMESA-N 1 1 437.436 5.255 40 0 IKABMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000016681520 556623786 /nfs/dbraw/zinc/62/37/86/556623786.db2.gz NTBFIYGZDBCXJY-XBXARRHUSA-N 1 1 438.786 5.441 40 0 IKABMO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000016681521 556623808 /nfs/dbraw/zinc/62/38/08/556623808.db2.gz GQFSNSLLHFWING-UHFFFAOYSA-N 1 1 448.010 5.427 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849403 556624060 /nfs/dbraw/zinc/62/40/60/556624060.db2.gz SOYQMHHSBQYTGN-UHFFFAOYSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849387 556624064 /nfs/dbraw/zinc/62/40/64/556624064.db2.gz DNMHERDPYSCEKT-CQSZACIVSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849387 556624066 /nfs/dbraw/zinc/62/40/66/556624066.db2.gz DNMHERDPYSCEKT-CQSZACIVSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038850219 556624452 /nfs/dbraw/zinc/62/44/52/556624452.db2.gz UCIGWOILPRCNSH-CQSZACIVSA-N 1 1 427.759 5.506 40 0 IKABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038850219 556624454 /nfs/dbraw/zinc/62/44/54/556624454.db2.gz UCIGWOILPRCNSH-CQSZACIVSA-N 1 1 427.759 5.506 40 0 IKABMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038850636 556624690 /nfs/dbraw/zinc/62/46/90/556624690.db2.gz AJMSKNCBUMLIGH-QFIPXVFZSA-N 1 1 434.967 5.770 40 0 IKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)C1 ZINC000038854605 556625465 /nfs/dbraw/zinc/62/54/65/556625465.db2.gz PFEMSPRRYRPOBM-HXUWFJFHSA-N 1 1 433.596 5.233 40 0 IKABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688506 556626327 /nfs/dbraw/zinc/62/63/27/556626327.db2.gz VPPUWWYTRLUXEJ-UHFFFAOYSA-N 1 1 445.332 5.251 40 0 IKABMO CC(C)N(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000016768334 556640159 /nfs/dbraw/zinc/64/01/59/556640159.db2.gz PQWOJXWEZXWYCX-UHFFFAOYSA-N 1 1 436.534 6.642 40 0 IKABMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(C)Cc2ccccc2)cc1 ZINC000016768370 556640189 /nfs/dbraw/zinc/64/01/89/556640189.db2.gz VUSKJKYLOYNAHS-UHFFFAOYSA-N 1 1 434.543 6.123 40 0 IKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000044850512 556670516 /nfs/dbraw/zinc/67/05/16/556670516.db2.gz FHTMEJWNTULHIW-JJIBRWJFSA-N 1 1 427.935 5.691 40 0 IKABMO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044852567 556670669 /nfs/dbraw/zinc/67/06/69/556670669.db2.gz SWQVWKNINNJWDY-QGZVFWFLSA-N 1 1 435.395 5.098 40 0 IKABMO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044852569 556670678 /nfs/dbraw/zinc/67/06/78/556670678.db2.gz SWQVWKNINNJWDY-KRWDZBQOSA-N 1 1 435.395 5.098 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856523 556672202 /nfs/dbraw/zinc/67/22/02/556672202.db2.gz LXPSGIKLDWZLJR-QHCPKHFHSA-N 1 1 443.429 5.545 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1C ZINC000044856674 556672217 /nfs/dbraw/zinc/67/22/17/556672217.db2.gz ZHTGTJLSOFPEFX-HSZRJFAPSA-N 1 1 433.423 6.090 40 0 IKABMO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044882613 556674402 /nfs/dbraw/zinc/67/44/02/556674402.db2.gz NPQFLEXVRQPBES-UHFFFAOYSA-N 1 1 435.395 5.309 40 0 IKABMO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044906257 556680159 /nfs/dbraw/zinc/68/01/59/556680159.db2.gz ZUNUHLZKWXWHCZ-UHFFFAOYSA-N 1 1 439.814 5.608 40 0 IKABMO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044909947 556680614 /nfs/dbraw/zinc/68/06/14/556680614.db2.gz QPHVVWSPMGAOCF-UHFFFAOYSA-N 1 1 449.422 5.353 40 0 IKABMO CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044916359 556681517 /nfs/dbraw/zinc/68/15/17/556681517.db2.gz WGRBZNSFEIIPEG-JOCHJYFZSA-N 1 1 429.004 5.088 40 0 IKABMO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044917201 556681651 /nfs/dbraw/zinc/68/16/51/556681651.db2.gz ZOKIBBQIRUKWPT-UHFFFAOYSA-N 1 1 447.406 6.166 40 0 IKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000044918014 556681883 /nfs/dbraw/zinc/68/18/83/556681883.db2.gz MWXZVUFMBDAZIB-UHFFFAOYSA-N 1 1 447.991 6.438 40 0 IKABMO CC1(C)C[C@H](NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c2ccccc2O1 ZINC000044918626 556681991 /nfs/dbraw/zinc/68/19/91/556681991.db2.gz FCJIWEHBZVHTEF-VWLOTQADSA-N 1 1 426.560 5.277 40 0 IKABMO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044932225 556682160 /nfs/dbraw/zinc/68/21/60/556682160.db2.gz ARJVAFFENKLMKH-UHFFFAOYSA-N 1 1 435.395 5.309 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1 ZINC000044935786 556682592 /nfs/dbraw/zinc/68/25/92/556682592.db2.gz PHGOGZYTTZQNRV-QFIPXVFZSA-N 1 1 429.402 5.237 40 0 IKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1 ZINC000044935789 556682657 /nfs/dbraw/zinc/68/26/57/556682657.db2.gz PHGOGZYTTZQNRV-JOCHJYFZSA-N 1 1 429.402 5.237 40 0 IKABMO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000044936874 556682712 /nfs/dbraw/zinc/68/27/12/556682712.db2.gz DOBNIDIQJPBOSL-HSZRJFAPSA-N 1 1 433.423 6.109 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(Cl)c1 ZINC000044940189 556683304 /nfs/dbraw/zinc/68/33/04/556683304.db2.gz YBHDXYJXKYOUJJ-UHFFFAOYSA-N 1 1 448.950 5.327 40 0 IKABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000044939767 556683311 /nfs/dbraw/zinc/68/33/11/556683311.db2.gz DLOFIEGWINUIQI-MRXNPFEDSA-N 1 1 435.351 5.021 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081909 556696625 /nfs/dbraw/zinc/69/66/25/556696625.db2.gz WQCKZFODFKODBS-ATIYNZHBSA-N 1 1 449.639 5.519 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081855 556696684 /nfs/dbraw/zinc/69/66/84/556696684.db2.gz MPCQDPARAQSAHG-LAUBAEHRSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081855 556696688 /nfs/dbraw/zinc/69/66/88/556696688.db2.gz MPCQDPARAQSAHG-LAUBAEHRSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019082020 556697063 /nfs/dbraw/zinc/69/70/63/556697063.db2.gz DVJGIYBHDICOSZ-NRFANRHFSA-N 1 1 434.411 5.504 40 0 IKABMO CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086161 556699640 /nfs/dbraw/zinc/69/96/40/556699640.db2.gz WYNPGCHGDZSXER-NFBKMPQASA-N 1 1 441.641 5.190 40 0 IKABMO O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000019293874 556733202 /nfs/dbraw/zinc/73/32/02/556733202.db2.gz BRKUHWDTMSOWMK-DNVJHFABSA-N 1 1 438.543 5.157 40 0 IKABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334360 556737845 /nfs/dbraw/zinc/73/78/45/556737845.db2.gz NKIHNIKKZXCIHK-HJOGWXRNSA-N 1 1 438.543 5.157 40 0 IKABMO O=C(c1ccc(F)cc1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019343540 556741507 /nfs/dbraw/zinc/74/15/07/556741507.db2.gz VAQVKZQFVWAZSW-YPAWHYETSA-N 1 1 426.582 5.079 40 0 IKABMO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCC[N@H+]3[C@@H]3CCSC3)nn21 ZINC000019343866 556741795 /nfs/dbraw/zinc/74/17/95/556741795.db2.gz QUDLRRSRMZPSRT-VWNJHIHFSA-N 1 1 428.549 5.247 40 0 IKABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCC[N@H+]3C[C@@H]3CCOC3)nn21 ZINC000019344168 556742063 /nfs/dbraw/zinc/74/20/63/556742063.db2.gz ZZEZIEAAAHYMJO-WMLDXEAASA-N 1 1 436.503 5.040 40 0 IKABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@H]21 ZINC000019349201 556744083 /nfs/dbraw/zinc/74/40/83/556744083.db2.gz JYVAYTSSCYMZAR-PQNGQFLHSA-N 1 1 438.543 5.157 40 0 IKABMO O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccccc3F)CC[C@H]21 ZINC000019349209 556744102 /nfs/dbraw/zinc/74/41/02/556744102.db2.gz QBQPPRCDWFRRLZ-MQSCRBSSSA-N 1 1 438.543 5.157 40 0 IKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019369003 556746887 /nfs/dbraw/zinc/74/68/87/556746887.db2.gz OSFNIQQGIYBVJW-HJOGWXRNSA-N 1 1 437.008 5.532 40 0 IKABMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c1C ZINC000023292215 556752185 /nfs/dbraw/zinc/75/21/85/556752185.db2.gz RYCSKYSCBDIEFB-QHCPKHFHSA-N 1 1 437.584 5.093 40 0 IKABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019400697 556753092 /nfs/dbraw/zinc/75/30/92/556753092.db2.gz UPNOWJXQNJEUJY-CJFMBICVSA-N 1 1 427.539 5.010 40 0 IKABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400613 556753129 /nfs/dbraw/zinc/75/31/29/556753129.db2.gz FWYNNGDBIOFPQV-SQJMNOBHSA-N 1 1 442.588 5.075 40 0 IKABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1)c1cccs1 ZINC000019400731 556753418 /nfs/dbraw/zinc/75/34/18/556753418.db2.gz LUCARIUSSHTQDA-CJFMBICVSA-N 1 1 442.588 5.075 40 0 IKABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1)c1cccs1 ZINC000019400734 556753432 /nfs/dbraw/zinc/75/34/32/556753432.db2.gz LUCARIUSSHTQDA-CPJSRVTESA-N 1 1 442.588 5.075 40 0 IKABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019400870 556753487 /nfs/dbraw/zinc/75/34/87/556753487.db2.gz MOESNYMGMDZECT-VWLOTQADSA-N 1 1 427.539 5.010 40 0 IKABMO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000019401698 556753889 /nfs/dbraw/zinc/75/38/89/556753889.db2.gz UXUNIZPJHPCJDN-FQEVSTJZSA-N 1 1 440.526 5.196 40 0 IKABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402662 556754200 /nfs/dbraw/zinc/75/42/00/556754200.db2.gz NVEUZSABFSVOCN-IGKIAQTJSA-N 1 1 440.591 5.013 40 0 IKABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000019522016 556778996 /nfs/dbraw/zinc/77/89/96/556778996.db2.gz MIIHEJJERLABRU-HNNXBMFYSA-N 1 1 449.473 5.201 40 0 IKABMO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@H+]2Cc2ccc(OC)c(OC)c2)n1 ZINC000019525604 556783246 /nfs/dbraw/zinc/78/32/46/556783246.db2.gz MHZYQRMVNLSUOL-QFIPXVFZSA-N 1 1 432.568 5.236 40 0 IKABMO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@H+]2Cc2ccc(OC)c(OCC)c2)n1 ZINC000019525607 556783296 /nfs/dbraw/zinc/78/32/96/556783296.db2.gz WJJMZPKOWPTDOX-HSZRJFAPSA-N 1 1 446.595 5.626 40 0 IKABMO CC(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000059186153 556795308 /nfs/dbraw/zinc/79/53/08/556795308.db2.gz ZNTMVRLFTWRNIM-UHFFFAOYSA-N 1 1 448.010 6.038 40 0 IKABMO COc1cccc2ccc(C[N@@H+]3CCC[C@@H]3c3nnc(-c4nccc5ccccc54)o3)nc21 ZINC000019568458 556808551 /nfs/dbraw/zinc/80/85/51/556808551.db2.gz VEXOJGXLKWIWJI-OAQYLSRUSA-N 1 1 437.503 5.179 40 0 IKABMO COc1cccc2ccc(C[N@H+]3CCC[C@@H]3c3nnc(-c4nccc5ccccc54)o3)nc21 ZINC000019568458 556808553 /nfs/dbraw/zinc/80/85/53/556808553.db2.gz VEXOJGXLKWIWJI-OAQYLSRUSA-N 1 1 437.503 5.179 40 0 IKABMO COc1cccc2ccc(C[N@@H+]3CCC[C@H]3c3nnc(-c4nccc5ccccc54)o3)nc21 ZINC000019568461 556808568 /nfs/dbraw/zinc/80/85/68/556808568.db2.gz VEXOJGXLKWIWJI-NRFANRHFSA-N 1 1 437.503 5.179 40 0 IKABMO COc1cccc2ccc(C[N@H+]3CCC[C@H]3c3nnc(-c4nccc5ccccc54)o3)nc21 ZINC000019568461 556808572 /nfs/dbraw/zinc/80/85/72/556808572.db2.gz VEXOJGXLKWIWJI-NRFANRHFSA-N 1 1 437.503 5.179 40 0 IKABMO CCn1c(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)nc2ccccc21 ZINC000019689345 556844228 /nfs/dbraw/zinc/84/42/28/556844228.db2.gz VVOKUEUFDRHZBU-QHCPKHFHSA-N 1 1 444.558 5.055 40 0 IKABMO CCn1c(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)nc2ccccc21 ZINC000019689345 556844231 /nfs/dbraw/zinc/84/42/31/556844231.db2.gz VVOKUEUFDRHZBU-QHCPKHFHSA-N 1 1 444.558 5.055 40 0 IKABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1cc(Cc2ccc(C(F)(F)F)cc2)cc(C)n1 ZINC000019690872 556846867 /nfs/dbraw/zinc/84/68/67/556846867.db2.gz CMTLYJZBWDIATH-HSZRJFAPSA-N 1 1 428.502 5.379 40 0 IKABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019696402 556853375 /nfs/dbraw/zinc/85/33/75/556853375.db2.gz XVBCYNCIZFGILF-HSZRJFAPSA-N 1 1 436.575 5.263 40 0 IKABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)[nH]n2)cc1F ZINC000019703637 556862223 /nfs/dbraw/zinc/86/22/23/556862223.db2.gz RXDBYSLOHRYOAD-RUZDIDTESA-N 1 1 434.490 5.195 40 0 IKABMO O=C(Nc1nccs1)c1cc([C@H]2C[N@H+](C3CCCCCC3)CCO2)nc2ccccc21 ZINC000019754922 556898027 /nfs/dbraw/zinc/89/80/27/556898027.db2.gz WWLLNTMULYQURW-JOCHJYFZSA-N 1 1 436.581 5.040 40 0 IKABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000072330431 556905403 /nfs/dbraw/zinc/90/54/03/556905403.db2.gz BRZXNEAPIYYDAO-BWKNWUBXSA-N 1 1 449.620 5.152 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 ZINC000072330454 556905744 /nfs/dbraw/zinc/90/57/44/556905744.db2.gz VRDNAAHOVQVDHB-DWACAAAGSA-N 1 1 444.623 5.223 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 ZINC000072330455 556905802 /nfs/dbraw/zinc/90/58/02/556905802.db2.gz VRDNAAHOVQVDHB-DFHRPNOPSA-N 1 1 444.623 5.223 40 0 IKABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000072330446 556905961 /nfs/dbraw/zinc/90/59/61/556905961.db2.gz OPUAYHSYFGHNBL-NLFFAJNJSA-N 1 1 427.539 5.010 40 0 IKABMO COc1ccc2cc(C[N@H+]3CCC[C@@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000072330565 556906503 /nfs/dbraw/zinc/90/65/03/556906503.db2.gz VNGZSACNXGYWPK-SQHAQQRYSA-N 1 1 443.591 5.113 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)ncc1C(=O)Nc1ccccc1 ZINC000072346277 556917756 /nfs/dbraw/zinc/91/77/56/556917756.db2.gz CFSKRTYIOUYDIY-DEOSSOPVSA-N 1 1 425.536 5.246 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)ncc1C(=O)Nc1ccccc1 ZINC000072346277 556917761 /nfs/dbraw/zinc/91/77/61/556917761.db2.gz CFSKRTYIOUYDIY-DEOSSOPVSA-N 1 1 425.536 5.246 40 0 IKABMO Cc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)c1C ZINC000019819713 556923062 /nfs/dbraw/zinc/92/30/62/556923062.db2.gz XRYMWHOHYLAYBI-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO Cc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)c1C ZINC000019819713 556923064 /nfs/dbraw/zinc/92/30/64/556923064.db2.gz XRYMWHOHYLAYBI-UHFFFAOYSA-N 1 1 433.602 5.285 40 0 IKABMO CCc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)cc1 ZINC000019819699 556923119 /nfs/dbraw/zinc/92/31/19/556923119.db2.gz PLYSAUSNLVCEOT-UHFFFAOYSA-N 1 1 433.602 5.230 40 0 IKABMO CCc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)cc1 ZINC000019819699 556923122 /nfs/dbraw/zinc/92/31/22/556923122.db2.gz PLYSAUSNLVCEOT-UHFFFAOYSA-N 1 1 433.602 5.230 40 0 IKABMO CC(C)n1cc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000072352556 556924501 /nfs/dbraw/zinc/92/45/01/556924501.db2.gz YWGGLNMCNKHRFT-SFHVURJKSA-N 1 1 446.620 5.523 40 0 IKABMO Cc1cccnc1Nc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2N(C)C)nc1 ZINC000072353096 556925452 /nfs/dbraw/zinc/92/54/52/556925452.db2.gz RHYANFVXJGSIAT-VWLOTQADSA-N 1 1 438.579 5.480 40 0 IKABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1c(C)nn(C(C)C)c1C ZINC000072370490 556935072 /nfs/dbraw/zinc/93/50/72/556935072.db2.gz RXUGEOFHMVEKEL-IBGZPJMESA-N 1 1 438.641 5.252 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371737 556940472 /nfs/dbraw/zinc/94/04/72/556940472.db2.gz YCTMOKFBBYSNIR-IBGZPJMESA-N 1 1 442.007 5.068 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371737 556940474 /nfs/dbraw/zinc/94/04/74/556940474.db2.gz YCTMOKFBBYSNIR-IBGZPJMESA-N 1 1 442.007 5.068 40 0 IKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371737 556940476 /nfs/dbraw/zinc/94/04/76/556940476.db2.gz YCTMOKFBBYSNIR-IBGZPJMESA-N 1 1 442.007 5.068 40 0 IKABMO COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)cc1 ZINC000072372542 556943176 /nfs/dbraw/zinc/94/31/76/556943176.db2.gz LRVITRPARYUEBK-QFIPXVFZSA-N 1 1 436.581 5.203 40 0 IKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3oc4ccccc4c3C)c2)s1 ZINC000072372582 556943209 /nfs/dbraw/zinc/94/32/09/556943209.db2.gz UUANQWBJKPLAKY-FQEVSTJZSA-N 1 1 432.549 5.930 40 0 IKABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)[nH+]1 ZINC000072372644 556943434 /nfs/dbraw/zinc/94/34/34/556943434.db2.gz DYQKKOYBEXURES-VWLOTQADSA-N 1 1 439.563 5.615 40 0 IKABMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO ZINC000072372712 556943851 /nfs/dbraw/zinc/94/38/51/556943851.db2.gz MPOAODRKQATISC-JOCHJYFZSA-N 1 1 438.597 5.127 40 0 IKABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO ZINC000072372712 556943852 /nfs/dbraw/zinc/94/38/52/556943852.db2.gz MPOAODRKQATISC-JOCHJYFZSA-N 1 1 438.597 5.127 40 0 IKABMO COCc1ccc(OC)c(C[N@@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372708 556943872 /nfs/dbraw/zinc/94/38/72/556943872.db2.gz UGJZQSWYIMQOQY-QFIPXVFZSA-N 1 1 438.597 5.391 40 0 IKABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372708 556943873 /nfs/dbraw/zinc/94/38/73/556943873.db2.gz UGJZQSWYIMQOQY-QFIPXVFZSA-N 1 1 438.597 5.391 40 0 IKABMO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cc4ccccc4nc3N(C)C)n2)n1 ZINC000072375394 556951008 /nfs/dbraw/zinc/95/10/08/556951008.db2.gz ONYSGACANSOWOK-XMMPIXPASA-N 1 1 438.579 5.480 40 0 IKABMO Cc1ccc([C@H](NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c2ccccc2)cc1 ZINC000020035416 556969939 /nfs/dbraw/zinc/96/99/39/556969939.db2.gz NDPPXKBFISRLEP-SSEXGKCCSA-N 1 1 446.594 6.073 40 0 IKABMO CC(C)c1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020105227 556982237 /nfs/dbraw/zinc/98/22/37/556982237.db2.gz ZYUVRNWZAALRPK-QHCPKHFHSA-N 1 1 442.603 5.511 40 0 IKABMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000015931502 556985780 /nfs/dbraw/zinc/98/57/80/556985780.db2.gz XKSWRUYYSKZLQA-AHWVRZQESA-N 1 1 446.978 5.676 40 0 IKABMO CCOc1cc(CNCC[NH+](C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023471937 557093609 /nfs/dbraw/zinc/09/36/09/557093609.db2.gz OPDDWBKGQXFRNL-UHFFFAOYSA-N 1 1 431.791 5.276 40 0 IKABMO CC[C@@H]1c2cc(Oc3c(O)c(OC)cc4c3[C@H](CC)N(C)CC4)c(OC)cc2CC[N@H+]1C ZINC000024717635 557160732 /nfs/dbraw/zinc/16/07/32/557160732.db2.gz BOXBKGGQZPGMRE-UXHICEINSA-N 1 1 440.584 5.080 40 0 IKABMO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000057313579 557244929 /nfs/dbraw/zinc/24/49/29/557244929.db2.gz SCGONIVEEIXQEV-UHFFFAOYSA-N 1 1 444.019 5.185 40 0 IKABMO COc1ccc2c(c1)N[C@]1(CCC[N@@H+](CCCC(=O)c3ccc(Cl)cc3)C1)c1cccn1-2 ZINC000057719877 557259289 /nfs/dbraw/zinc/25/92/89/557259289.db2.gz JGYUSFPHOWZCBM-SANMLTNESA-N 1 1 449.982 5.519 40 0 IKABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774791 557264350 /nfs/dbraw/zinc/26/43/50/557264350.db2.gz MUQTZNFKVHLTEF-AVRDEDQJSA-N 1 1 448.438 6.037 40 0 IKABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774800 557264512 /nfs/dbraw/zinc/26/45/12/557264512.db2.gz MUQTZNFKVHLTEF-XMSQKQJNSA-N 1 1 448.438 6.037 40 0 IKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064595 557279062 /nfs/dbraw/zinc/27/90/62/557279062.db2.gz CPYMMGDOSLCECN-XMMPIXPASA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064595 557279066 /nfs/dbraw/zinc/27/90/66/557279066.db2.gz CPYMMGDOSLCECN-XMMPIXPASA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064824 557279247 /nfs/dbraw/zinc/27/92/47/557279247.db2.gz PPORNZZGUNGVFE-XMMPIXPASA-N 1 1 448.615 5.142 40 0 IKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064824 557279251 /nfs/dbraw/zinc/27/92/51/557279251.db2.gz PPORNZZGUNGVFE-XMMPIXPASA-N 1 1 448.615 5.142 40 0 IKABMO C[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000102673753 557305106 /nfs/dbraw/zinc/30/51/06/557305106.db2.gz LBMQWGLSKLHDSA-CTZUUEIXSA-N 1 1 445.606 7.163 40 0 IKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501102 557324728 /nfs/dbraw/zinc/32/47/28/557324728.db2.gz QVJUBDFICNBBOH-HSZRJFAPSA-N 1 1 448.615 5.224 40 0 IKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501102 557324732 /nfs/dbraw/zinc/32/47/32/557324732.db2.gz QVJUBDFICNBBOH-HSZRJFAPSA-N 1 1 448.615 5.224 40 0 IKABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498514 557328120 /nfs/dbraw/zinc/32/81/20/557328120.db2.gz JCZWISKIPZMNGV-XMMPIXPASA-N 1 1 448.615 5.080 40 0 IKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000072215648 557341141 /nfs/dbraw/zinc/34/11/41/557341141.db2.gz NHEHBBNTMXMKSA-DEOSSOPVSA-N 1 1 435.612 6.493 40 0 IKABMO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215709 557342694 /nfs/dbraw/zinc/34/26/94/557342694.db2.gz CIKQRGSXVBJQNZ-RUZDIDTESA-N 1 1 449.639 6.883 40 0 IKABMO CCC(C)(C)Nc1c(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH+]c2ccccn21 ZINC000013563561 557353739 /nfs/dbraw/zinc/35/37/39/557353739.db2.gz KPZUZBKRCLCUDF-UHFFFAOYSA-N 1 1 447.970 6.899 40 0 IKABMO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c2ccccc12 ZINC000222625279 557364249 /nfs/dbraw/zinc/36/42/49/557364249.db2.gz PFCUNISMCYTLGL-UHFFFAOYSA-N 1 1 445.346 5.287 40 0 IKABMO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000222800219 557387845 /nfs/dbraw/zinc/38/78/45/557387845.db2.gz BBBXXBKZZHAHDS-UHFFFAOYSA-N 1 1 427.375 5.675 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975314 557410158 /nfs/dbraw/zinc/41/01/58/557410158.db2.gz VVIUSKGFGQQFON-QGZVFWFLSA-N 1 1 445.434 5.962 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975380 557410402 /nfs/dbraw/zinc/41/04/02/557410402.db2.gz VVIUSKGFGQQFON-KRWDZBQOSA-N 1 1 445.434 5.962 40 0 IKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975587 557410495 /nfs/dbraw/zinc/41/04/95/557410495.db2.gz NLKBPMBKFJZTKK-QGZVFWFLSA-N 1 1 445.434 5.962 40 0 IKABMO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000223064577 557424485 /nfs/dbraw/zinc/42/44/85/557424485.db2.gz UNJWYEOEXMSWDK-UHFFFAOYSA-N 1 1 445.441 5.196 40 0 IKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCC2 ZINC000223225003 557448293 /nfs/dbraw/zinc/44/82/93/557448293.db2.gz WTHQLBNZXMPUPQ-INIZCTEOSA-N 1 1 431.407 5.572 40 0 IKABMO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)s1 ZINC000223256536 557451632 /nfs/dbraw/zinc/45/16/32/557451632.db2.gz GKRCAFSRKNTXEL-UHFFFAOYSA-N 1 1 445.441 5.196 40 0 IKABMO O=C(c1ccccc1-c1ccccc1)N(CCC[NH+]1CCOCC1)Cc1ccccc1Cl ZINC000026416765 557467924 /nfs/dbraw/zinc/46/79/24/557467924.db2.gz WTBSONYGSXRSNX-UHFFFAOYSA-N 1 1 448.994 5.372 40 0 IKABMO CC(C)(C)c1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000223416170 557469535 /nfs/dbraw/zinc/46/95/35/557469535.db2.gz ZPIXICHXZMNMLC-UHFFFAOYSA-N 1 1 442.603 5.351 40 0 IKABMO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000223470605 557475596 /nfs/dbraw/zinc/47/55/96/557475596.db2.gz NXQZFEKJOMZHPR-SFHVURJKSA-N 1 1 433.423 6.008 40 0 IKABMO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000223470678 557475619 /nfs/dbraw/zinc/47/56/19/557475619.db2.gz HRSASTVGXYXBND-GOSISDBHSA-N 1 1 433.423 6.008 40 0 IKABMO CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223729952 557506759 /nfs/dbraw/zinc/50/67/59/557506759.db2.gz TZGJOIABHSBGSF-HXUWFJFHSA-N 1 1 429.004 5.045 40 0 IKABMO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223747161 557508598 /nfs/dbraw/zinc/50/85/98/557508598.db2.gz ZKAOQJBAJLOKKK-UHFFFAOYSA-N 1 1 428.576 5.177 40 0 IKABMO CCCCC[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099989 557531172 /nfs/dbraw/zinc/53/11/72/557531172.db2.gz INXGAHHQCIHNOR-HYHZCSIDSA-N 1 1 443.631 6.897 40 0 IKABMO CCCCC[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099983 557531178 /nfs/dbraw/zinc/53/11/78/557531178.db2.gz INXGAHHQCIHNOR-JJILFORISA-N 1 1 443.631 6.897 40 0 IKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)c(C)c1 ZINC000224066704 557554441 /nfs/dbraw/zinc/55/44/41/557554441.db2.gz LYSIHNLEWZUBKE-SANMLTNESA-N 1 1 428.576 5.443 40 0 IKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000224539226 557618387 /nfs/dbraw/zinc/61/83/87/557618387.db2.gz ZRZITBYYZOPSOM-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224541329 557618782 /nfs/dbraw/zinc/61/87/82/557618782.db2.gz WEEBRWKGYJIHFD-XIEYBQDHSA-N 1 1 446.978 5.029 40 0 IKABMO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542394 557619070 /nfs/dbraw/zinc/61/90/70/557619070.db2.gz DSMSVNAABNDABA-UHFFFAOYSA-N 1 1 441.786 5.054 40 0 IKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000224543520 557619287 /nfs/dbraw/zinc/61/92/87/557619287.db2.gz CLQQMKKFFZIGDC-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000224543672 557619470 /nfs/dbraw/zinc/61/94/70/557619470.db2.gz WICCYVSQGJUPKL-UHFFFAOYSA-N 1 1 435.395 5.017 40 0 IKABMO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544488 557619633 /nfs/dbraw/zinc/61/96/33/557619633.db2.gz SETBVTCJWJRPOO-UHFFFAOYSA-N 1 1 441.786 5.054 40 0 IKABMO Cc1ccc(SCc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)cc1 ZINC000224708019 557642933 /nfs/dbraw/zinc/64/29/33/557642933.db2.gz RJHBEBYPOKDGBB-UHFFFAOYSA-N 1 1 446.616 5.050 40 0 IKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000224733904 557645436 /nfs/dbraw/zinc/64/54/36/557645436.db2.gz JSCVMNPVVQCDGX-QFIPXVFZSA-N 1 1 449.422 5.790 40 0 IKABMO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224926618 557667811 /nfs/dbraw/zinc/66/78/11/557667811.db2.gz GTBIFYWVHIGTMN-UHFFFAOYSA-N 1 1 432.395 5.444 40 0 IKABMO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224968865 557672518 /nfs/dbraw/zinc/67/25/18/557672518.db2.gz YZYMWLGXCYEPMC-UHFFFAOYSA-N 1 1 446.422 5.834 40 0 IKABMO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224968924 557672539 /nfs/dbraw/zinc/67/25/39/557672539.db2.gz MFGWNOCUYXXIGV-UHFFFAOYSA-N 1 1 446.422 5.834 40 0 IKABMO O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000224969761 557672746 /nfs/dbraw/zinc/67/27/46/557672746.db2.gz OWXIMJRGGUFKNQ-UHFFFAOYSA-N 1 1 426.545 5.016 40 0 IKABMO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000225220470 557701541 /nfs/dbraw/zinc/70/15/41/557701541.db2.gz JCDSWNWJHDKKHM-UHFFFAOYSA-N 1 1 445.441 5.198 40 0 IKABMO COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000225298404 557709910 /nfs/dbraw/zinc/70/99/10/557709910.db2.gz VJWQMRGLZKOYOC-UHFFFAOYSA-N 1 1 447.922 5.946 40 0 IKABMO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225481964 557728048 /nfs/dbraw/zinc/72/80/48/557728048.db2.gz RWJBWYSYLJHXEX-UHFFFAOYSA-N 1 1 428.857 5.026 40 0 IKABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225516048 557733461 /nfs/dbraw/zinc/73/34/61/557733461.db2.gz AQRPQQBRGHZPTA-OYRHEFFESA-N 1 1 438.587 5.633 40 0 IKABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225516479 557733901 /nfs/dbraw/zinc/73/39/01/557733901.db2.gz AMSIGEYRXNBIMC-OAQYLSRUSA-N 1 1 438.587 5.777 40 0 IKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225526174 557736328 /nfs/dbraw/zinc/73/63/28/557736328.db2.gz OJJWJGAKEWFSDE-HXUWFJFHSA-N 1 1 441.015 6.044 40 0 IKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 ZINC000225547959 557740245 /nfs/dbraw/zinc/74/02/45/557740245.db2.gz GNQJWYRZNWFYPE-OAQYLSRUSA-N 1 1 438.587 5.777 40 0 IKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225548037 557740266 /nfs/dbraw/zinc/74/02/66/557740266.db2.gz MXEZUGLFQWWKHI-OAQYLSRUSA-N 1 1 438.587 5.920 40 0 IKABMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574977 557745454 /nfs/dbraw/zinc/74/54/54/557745454.db2.gz KEALADQJHMELTR-UHFFFAOYSA-N 1 1 425.729 5.092 40 0 IKABMO Cc1ccccc1CSCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578721 557746098 /nfs/dbraw/zinc/74/60/98/557746098.db2.gz ICWXFXJBLJUPSM-UHFFFAOYSA-N 1 1 435.008 5.049 40 0 IKABMO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586403 557747607 /nfs/dbraw/zinc/74/76/07/557747607.db2.gz RESSMLVMTMUXRR-UHFFFAOYSA-N 1 1 446.994 5.229 40 0 IKABMO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225585904 557747692 /nfs/dbraw/zinc/74/76/92/557747692.db2.gz LXUFRKNKESAVFO-UHFFFAOYSA-N 1 1 430.951 5.651 40 0 IKABMO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c2ccccc2O1 ZINC000225586029 557747697 /nfs/dbraw/zinc/74/76/97/557747697.db2.gz TWDPCPOJYTWONE-OAQYLSRUSA-N 1 1 430.951 5.110 40 0 IKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225652089 557757327 /nfs/dbraw/zinc/75/73/27/557757327.db2.gz AVVRMCJSCIGUMF-GJZUVCINSA-N 1 1 432.649 5.892 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225659801 557758447 /nfs/dbraw/zinc/75/84/47/557758447.db2.gz FJHKPZGHJRCJRD-JOCHJYFZSA-N 1 1 430.633 5.646 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225669241 557760379 /nfs/dbraw/zinc/76/03/79/557760379.db2.gz IAZDKUXGGGFGGT-HCYSDIRSSA-N 1 1 430.633 5.644 40 0 IKABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225696123 557765544 /nfs/dbraw/zinc/76/55/44/557765544.db2.gz SBIZTRCUQCYSGO-JOCHJYFZSA-N 1 1 432.649 5.603 40 0 IKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225749944 557772594 /nfs/dbraw/zinc/77/25/94/557772594.db2.gz DNRPOXFTSCKQJT-TVZXLZGTSA-N 1 1 432.649 5.747 40 0 IKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225778193 557776499 /nfs/dbraw/zinc/77/64/99/557776499.db2.gz JSGPPPRBVHBVSY-UHFFFAOYSA-N 1 1 431.923 5.343 40 0 IKABMO Cc1ccc(-c2nnc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)s2)cc1 ZINC000225848525 557784859 /nfs/dbraw/zinc/78/48/59/557784859.db2.gz KQLBVLXJAKMOKJ-SFHVURJKSA-N 1 1 426.973 5.018 40 0 IKABMO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906836 557790441 /nfs/dbraw/zinc/79/04/41/557790441.db2.gz VNJSVLSQPGCZHH-FQEVSTJZSA-N 1 1 427.375 5.675 40 0 IKABMO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906836 557790444 /nfs/dbraw/zinc/79/04/44/557790444.db2.gz VNJSVLSQPGCZHH-FQEVSTJZSA-N 1 1 427.375 5.675 40 0 IKABMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225908773 557790795 /nfs/dbraw/zinc/79/07/95/557790795.db2.gz OYJZIIIQSMPKMV-CYBMUJFWSA-N 1 1 432.178 6.151 40 0 IKABMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225908773 557790799 /nfs/dbraw/zinc/79/07/99/557790799.db2.gz OYJZIIIQSMPKMV-CYBMUJFWSA-N 1 1 432.178 6.151 40 0 IKABMO C[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967351 557829455 /nfs/dbraw/zinc/82/94/55/557829455.db2.gz LBMQWGLSKLHDSA-ZWZQZIPJSA-N 1 1 445.606 7.163 40 0 IKABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](CC4CC4)CC4CC4)C=C3C)[nH]c2c1 ZINC000077262108 560046700 /nfs/dbraw/zinc/04/67/00/560046700.db2.gz BGUVOIVKFOLHMS-LSQMVHIFSA-N 1 1 435.656 6.091 40 0 biogenic,in-vitro IKABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@H+]4Cc4ccc(F)cc4)CC3)oc21 ZINC000585100405 568872781 /nfs/dbraw/zinc/87/27/81/568872781.db2.gz QKXYFNAMQGVOKO-SANMLTNESA-N 1 1 436.527 5.241 40 0 IKABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4c(C)nc5c(C)cccn45)C3)n2)s1 ZINC000585262648 568873878 /nfs/dbraw/zinc/87/38/78/568873878.db2.gz OHNLQDUCCABVGU-LJQANCHMSA-N 1 1 432.597 5.234 40 0 IKABMO CCc1cc([C@H](c2ccccc2F)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001236005 568885866 /nfs/dbraw/zinc/88/58/66/568885866.db2.gz RDQISZAGRPMNSH-QHCPKHFHSA-N 1 1 437.584 5.039 40 0 IKABMO Cc1c2cc(F)ccc2oc1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000027985629 568895322 /nfs/dbraw/zinc/89/53/22/568895322.db2.gz IEKGRWBDUGRSJB-SANMLTNESA-N 1 1 442.534 5.736 40 0 IKABMO c1cc2n(c1)-c1ccccc1N[C@]21CCC[N@H+](CCC(c2ccccc2)c2ccccc2)C1 ZINC000013564193 568904916 /nfs/dbraw/zinc/90/49/16/568904916.db2.gz COJUZJPGFKPJMQ-PMERELPUSA-N 1 1 433.599 6.416 40 0 IKABMO CCc1cc([C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551894 569098052 /nfs/dbraw/zinc/09/80/52/569098052.db2.gz ORDCFVCSMZIXAM-HSZRJFAPSA-N 1 1 439.024 6.792 40 0 IKABMO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000008499351 569219019 /nfs/dbraw/zinc/21/90/19/569219019.db2.gz DCXZSCFRBFVPAR-HSZRJFAPSA-N 1 1 428.576 5.005 40 0 IKABMO Cc1c(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000019220503 569226180 /nfs/dbraw/zinc/22/61/80/569226180.db2.gz ZNZQAZSAOJYLLX-CJFMBICVSA-N 1 1 433.596 5.560 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000019290449 569226279 /nfs/dbraw/zinc/22/62/79/569226279.db2.gz SJVXRBDLXUORKH-UQBPGWFLSA-N 1 1 444.604 5.018 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 ZINC000019290446 569226380 /nfs/dbraw/zinc/22/63/80/569226380.db2.gz VRDNAAHOVQVDHB-SKCUWOTOSA-N 1 1 444.623 5.223 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000019290448 569226403 /nfs/dbraw/zinc/22/64/03/569226403.db2.gz SJVXRBDLXUORKH-KBMIEXCESA-N 1 1 444.604 5.018 40 0 IKABMO CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019521356 569226839 /nfs/dbraw/zinc/22/68/39/569226839.db2.gz WKYZAVFTGFUEMZ-KBMIEXCESA-N 1 1 433.596 5.506 40 0 IKABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000019532467 569227074 /nfs/dbraw/zinc/22/70/74/569227074.db2.gz HPMDLLFMLUYPQP-BKMJKUGQSA-N 1 1 449.639 5.085 40 0 IKABMO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@H+]2Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000019713918 569235790 /nfs/dbraw/zinc/23/57/90/569235790.db2.gz DKEYXBBWCGRPJS-JIMJEQGWSA-N 1 1 434.580 5.001 40 0 IKABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1CCOc1ccccc1Cl ZINC000019738745 569235943 /nfs/dbraw/zinc/23/59/43/569235943.db2.gz CVZOKVPATBZNFZ-HSZRJFAPSA-N 1 1 437.049 5.446 40 0 IKABMO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2Cc2ccc(C)c(C)c2)nc1C ZINC000019755657 569236793 /nfs/dbraw/zinc/23/67/93/569236793.db2.gz YFEUEYRAMGSYAF-XMMPIXPASA-N 1 1 444.579 5.390 40 0 IKABMO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2Cc2ccc(C)c(C)c2)nc1C ZINC000019755657 569236795 /nfs/dbraw/zinc/23/67/95/569236795.db2.gz YFEUEYRAMGSYAF-XMMPIXPASA-N 1 1 444.579 5.390 40 0 IKABMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cc1C ZINC000019764741 569238501 /nfs/dbraw/zinc/23/85/01/569238501.db2.gz IQCPJICIZLOOBD-DEOSSOPVSA-N 1 1 432.543 5.520 40 0 IKABMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cc1C ZINC000019764741 569238503 /nfs/dbraw/zinc/23/85/03/569238503.db2.gz IQCPJICIZLOOBD-DEOSSOPVSA-N 1 1 432.543 5.520 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cccc(-c3ccc(F)cc3)c2)ncc1C(=O)N(C)C ZINC000019765584 569238908 /nfs/dbraw/zinc/23/89/08/569238908.db2.gz OTFHTQXZJSIUBA-DEOSSOPVSA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cccc(-c3ccc(F)cc3)c2)ncc1C(=O)N(C)C ZINC000019765584 569238910 /nfs/dbraw/zinc/23/89/10/569238910.db2.gz OTFHTQXZJSIUBA-DEOSSOPVSA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cccc(-c3ccc(F)cc3)c2)ncc1C(=O)N(C)C ZINC000019765585 569238965 /nfs/dbraw/zinc/23/89/65/569238965.db2.gz OTFHTQXZJSIUBA-XMMPIXPASA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2cccc(-c3ccc(F)cc3)c2)ncc1C(=O)N(C)C ZINC000019765585 569238966 /nfs/dbraw/zinc/23/89/66/569238966.db2.gz OTFHTQXZJSIUBA-XMMPIXPASA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2-c2ccccc2F)ncc1C(=O)N(C)C ZINC000019765627 569238978 /nfs/dbraw/zinc/23/89/78/569238978.db2.gz JCNDAXSUNDQTOT-XMMPIXPASA-N 1 1 432.543 5.020 40 0 IKABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2-c2ccccc2F)ncc1C(=O)N(C)C ZINC000019765627 569238979 /nfs/dbraw/zinc/23/89/79/569238979.db2.gz JCNDAXSUNDQTOT-XMMPIXPASA-N 1 1 432.543 5.020 40 0 IKABMO Cc1cc(C)cc(CSCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020237971 569241015 /nfs/dbraw/zinc/24/10/15/569241015.db2.gz WKVODPGVGRYRJG-UHFFFAOYSA-N 1 1 444.644 5.470 40 0 IKABMO CC(C)(C)c1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023227787 569241710 /nfs/dbraw/zinc/24/17/10/569241710.db2.gz PKVGNBXBDWIRQV-UHFFFAOYSA-N 1 1 440.631 5.851 40 0 IKABMO S=C(c1ccc(OCc2ccccc2Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033558118 569244548 /nfs/dbraw/zinc/24/45/48/569244548.db2.gz RHOGZAPXQJGWTI-UHFFFAOYSA-N 1 1 437.008 5.412 40 0 IKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000038834435 569248872 /nfs/dbraw/zinc/24/88/72/569248872.db2.gz DWFJSIVFWQXLCO-UHFFFAOYSA-N 1 1 434.539 6.290 40 0 IKABMO COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044937102 569249405 /nfs/dbraw/zinc/24/94/05/569249405.db2.gz RSIAANWTGKPVES-URXFXBBRSA-N 1 1 429.004 5.464 40 0 IKABMO S=C(c1ccccc1OCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000107932861 569251782 /nfs/dbraw/zinc/25/17/82/569251782.db2.gz AAWLGJQJFBUAKW-UHFFFAOYSA-N 1 1 437.008 5.412 40 0 IKABMO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccccc1)[N@H+]2Cc1ccccc1 ZINC000245227099 569269440 /nfs/dbraw/zinc/26/94/40/569269440.db2.gz ABUKBCAATVFRLI-MEUOBDGXSA-N 1 1 427.544 5.441 40 0 IKABMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000253406653 569272327 /nfs/dbraw/zinc/27/23/27/569272327.db2.gz JBYMGGHUFOKKPL-AFXVXQJMSA-N 1 1 433.621 5.154 40 0 IKABMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198818 569275439 /nfs/dbraw/zinc/27/54/39/569275439.db2.gz JBYMGGHUFOKKPL-BJESRGMDSA-N 1 1 433.621 5.154 40 0 IKABMO Cc1nc(Nc2cc(C)nc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)c2)sc1C ZINC000257217226 569276022 /nfs/dbraw/zinc/27/60/22/569276022.db2.gz CYCXNFBUBHWUKP-DEOSSOPVSA-N 1 1 445.592 5.329 40 0 IKABMO Cc1nc(Nc2cc(C)nc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)c2)sc1C ZINC000257217226 569276023 /nfs/dbraw/zinc/27/60/23/569276023.db2.gz CYCXNFBUBHWUKP-DEOSSOPVSA-N 1 1 445.592 5.329 40 0 IKABMO Cc1cccc(Cc2cncc([C@H]3CCC[N@H+]3Cc3cccc(OC[C@H]4CCCO4)c3)n2)c1 ZINC000257232874 569276585 /nfs/dbraw/zinc/27/65/85/569276585.db2.gz GMUOGKSIRYFORM-IXCJQBJRSA-N 1 1 443.591 5.271 40 0 IKABMO Cc1cccc(Cc2cncc([C@@H]3CCC[N@H+]3Cc3cccc(OC[C@H]4CCCO4)c3)n2)c1 ZINC000257232873 569276611 /nfs/dbraw/zinc/27/66/11/569276611.db2.gz GMUOGKSIRYFORM-IAPPQJPRSA-N 1 1 443.591 5.271 40 0 IKABMO O=C1CCC[C@]2(C[N@H+](Cc3cccc(Oc4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257234421 569276624 /nfs/dbraw/zinc/27/66/24/569276624.db2.gz GTKZVUQIWLWMCD-RPLLCQBOSA-N 1 1 430.523 5.256 40 0 IKABMO Cc1nc2c(C)cccn2c1C[N@H+]1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257232490 569276651 /nfs/dbraw/zinc/27/66/51/569276651.db2.gz GLBROZWTOZYZMT-HSZRJFAPSA-N 1 1 428.555 5.456 40 0 IKABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)ccc2O1 ZINC000257233497 569276682 /nfs/dbraw/zinc/27/66/82/569276682.db2.gz GPOBMWHHFQXYQI-NRFANRHFSA-N 1 1 448.557 6.044 40 0 IKABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c2ccccc21 ZINC000257234686 569276696 /nfs/dbraw/zinc/27/66/96/569276696.db2.gz GUQPFSROKGEIQM-QFIPXVFZSA-N 1 1 429.995 6.197 40 0 IKABMO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257249187 569277056 /nfs/dbraw/zinc/27/70/56/569277056.db2.gz JHEYCPPJISXZFF-RBJSKKJNSA-N 1 1 444.550 5.140 40 0 IKABMO CC(C)C(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257250439 569277148 /nfs/dbraw/zinc/27/71/48/569277148.db2.gz JMNWEQUEOCBDRS-UHFFFAOYSA-N 1 1 440.672 6.037 40 0 IKABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)nc2)C1 ZINC000257280120 569278000 /nfs/dbraw/zinc/27/80/00/569278000.db2.gz OJNFSJCVKPWCTD-HXUWFJFHSA-N 1 1 442.588 5.016 40 0 IKABMO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCC[N@H+]3[C@H]3CCSC3)nn21 ZINC000257294438 569278437 /nfs/dbraw/zinc/27/84/37/569278437.db2.gz QUDLRRSRMZPSRT-MKVSYHDVSA-N 1 1 428.549 5.247 40 0 IKABMO COc1cccc(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)c1OC ZINC000257304480 569278683 /nfs/dbraw/zinc/27/86/83/569278683.db2.gz SLWPIWRKDYQKLR-QGZVFWFLSA-N 1 1 438.593 5.046 40 0 IKABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2ccc(F)cc2)N1 ZINC000257310952 569278847 /nfs/dbraw/zinc/27/88/47/569278847.db2.gz UHHXMRLYWHHWNY-XTEPFMGCSA-N 1 1 428.551 5.521 40 0 IKABMO COc1cc(C)c(C[N@H+]2CCC[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)c1C ZINC000257308633 569278872 /nfs/dbraw/zinc/27/88/72/569278872.db2.gz TXMBLKCBOOZFJM-DEOSSOPVSA-N 1 1 443.591 5.161 40 0 IKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+](Cc4c(C)cc(OC)c(C)c4C)C3)nc2)c1 ZINC000257318908 569279104 /nfs/dbraw/zinc/27/91/04/569279104.db2.gz VPXOIXCFAGBJCL-VWLOTQADSA-N 1 1 444.619 5.994 40 0 IKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cc1 ZINC000257320297 569279117 /nfs/dbraw/zinc/27/91/17/569279117.db2.gz VWCNGAHCFKDSLR-HXUWFJFHSA-N 1 1 435.597 5.237 40 0 IKABMO O=C1CCC[C@]2(C[N@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@H]2c2ccccc2F)N1 ZINC000257319803 569279149 /nfs/dbraw/zinc/27/91/49/569279149.db2.gz VUCDJLPDRRVSFC-RPLLCQBOSA-N 1 1 430.523 5.256 40 0 IKABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257323711 569279305 /nfs/dbraw/zinc/27/93/05/569279305.db2.gz WLOJFWFQQAKDNT-MRXNPFEDSA-N 1 1 435.568 5.223 40 0 IKABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C1)CCC2 ZINC000257324347 569279406 /nfs/dbraw/zinc/27/94/06/569279406.db2.gz WOFYRNRKKXIDJO-XMMPIXPASA-N 1 1 430.567 5.688 40 0 IKABMO COc1cccc(C[N@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257340301 569279790 /nfs/dbraw/zinc/27/97/90/569279790.db2.gz ZFKGLDNOSBVOEG-QFIPXVFZSA-N 1 1 440.509 6.079 40 0 IKABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4ccc(Cc5ccc(Cl)cc5)cn4)C3)ccc2O1 ZINC000257341671 569279838 /nfs/dbraw/zinc/27/98/38/569279838.db2.gz ZLJCORPCPZPWRO-QHCPKHFHSA-N 1 1 447.022 6.419 40 0 IKABMO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257340569 569279858 /nfs/dbraw/zinc/27/98/58/569279858.db2.gz ZGSNDKLNLIDRLV-KRWDZBQOSA-N 1 1 449.595 5.660 40 0 IKABMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000257343854 569279901 /nfs/dbraw/zinc/27/99/01/569279901.db2.gz ZURGCJOBWCJDOJ-HHHXNRCGSA-N 1 1 441.619 5.289 40 0 IKABMO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260814713 569281810 /nfs/dbraw/zinc/28/18/10/569281810.db2.gz MQFVIPBIOGRSAB-QHCPKHFHSA-N 1 1 446.676 5.993 40 0 IKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816955 569281812 /nfs/dbraw/zinc/28/18/12/569281812.db2.gz SOJFYOFWYWWYNK-ATIYNZHBSA-N 1 1 432.649 6.034 40 0 IKABMO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000260833574 569281820 /nfs/dbraw/zinc/28/18/20/569281820.db2.gz ZEVNGPVGDXOFLX-YOEHRIQHSA-N 1 1 425.787 5.736 40 0 IKABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000260833574 569281822 /nfs/dbraw/zinc/28/18/22/569281822.db2.gz ZEVNGPVGDXOFLX-YOEHRIQHSA-N 1 1 425.787 5.736 40 0 IKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260814447 569281870 /nfs/dbraw/zinc/28/18/70/569281870.db2.gz IAZDKUXGGGFGGT-GUXMJAIHSA-N 1 1 430.633 5.644 40 0 IKABMO CCC1(CC)C[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000260843360 569281927 /nfs/dbraw/zinc/28/19/27/569281927.db2.gz QSSYGAMKRJMJQA-REWPJTCUSA-N 1 1 441.015 5.751 40 0 IKABMO CC(C)c1nc(NCc2ccccc2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328960014 569284986 /nfs/dbraw/zinc/28/49/86/569284986.db2.gz AWGGUNHZHUZKMO-UHFFFAOYSA-N 1 1 437.385 5.537 40 0 IKABMO CC(C)c1nc(NC2CCCCC2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329032883 569285456 /nfs/dbraw/zinc/28/54/56/569285456.db2.gz QQZFGGFQMZLRMC-UHFFFAOYSA-N 1 1 429.406 5.670 40 0 IKABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccc(F)cc3)CC2)sc1CCOc1ccccc1 ZINC000019705450 569327454 /nfs/dbraw/zinc/32/74/54/569327454.db2.gz SFGSWXKYYIXOGA-RUZDIDTESA-N 1 1 440.584 5.086 40 0 IKABMO