smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=C[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 ZINC000030882888 291400932 /nfs/dbraw/zinc/40/09/32/291400932.db2.gz JCFKRIKVESFIER-FIXSFTCYSA-N 1 0 434.559 5.458 40 0 biogenic,in-vitro IKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000022073746 518214520 /nfs/dbraw/zinc/21/45/20/518214520.db2.gz PGDQXULVSWZHRY-UHFFFAOYSA-N 1 0 426.398 6.087 40 0 IKABRO CCOCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000016687988 519897532 /nfs/dbraw/zinc/89/75/32/519897532.db2.gz XBNIBCHWNDZNHU-UHFFFAOYSA-N 1 0 442.781 5.206 40 0 IKABRO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc(Cl)c(SCc3ccccc3)cc21 ZINC000001729669 520637057 /nfs/dbraw/zinc/63/70/57/520637057.db2.gz CPNZFAYIRSHTEY-IBGZPJMESA-N 1 0 442.072 7.103 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccccc1Cl ZINC000022074255 520708886 /nfs/dbraw/zinc/70/88/86/520708886.db2.gz DFIOTJMDQOVUIG-UHFFFAOYSA-N 1 0 438.793 6.112 40 0 IKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl ZINC000016689264 520715615 /nfs/dbraw/zinc/71/56/15/520715615.db2.gz YAARSWMQRMSWMY-UHFFFAOYSA-N 1 0 434.967 6.131 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000022076779 520721503 /nfs/dbraw/zinc/72/15/03/520721503.db2.gz OBSLYSHZXKUTHT-UHFFFAOYSA-N 1 0 429.919 5.755 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688504 520725220 /nfs/dbraw/zinc/72/52/20/520725220.db2.gz QQWJMPRVUFZHOX-UHFFFAOYSA-N 1 0 444.344 5.856 40 0 IKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000022073784 522441614 /nfs/dbraw/zinc/44/16/14/522441614.db2.gz HPBOYZNUITYROC-UHFFFAOYSA-N 1 0 446.418 6.639 40 0 IKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1F ZINC000022073891 522441812 /nfs/dbraw/zinc/44/18/12/522441812.db2.gz LMVPVBXAYWCOTD-UHFFFAOYSA-N 1 0 429.963 5.981 40 0 IKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022073889 522442042 /nfs/dbraw/zinc/44/20/42/522442042.db2.gz QDUZHXGXVVJFLS-UHFFFAOYSA-N 1 0 429.963 6.125 40 0 IKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196299 522442617 /nfs/dbraw/zinc/44/26/17/522442617.db2.gz RHYZNVVOEBMYAE-UHFFFAOYSA-N 1 0 446.418 6.639 40 0 IKABRO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022073687 522442947 /nfs/dbraw/zinc/44/29/47/522442947.db2.gz VNBYPZCNINLBTR-UHFFFAOYSA-N 1 0 428.787 6.657 40 0 IKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022073883 522442964 /nfs/dbraw/zinc/44/29/64/522442964.db2.gz UONZJRZLSXPGEV-UHFFFAOYSA-N 1 0 446.418 6.495 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196317 522457045 /nfs/dbraw/zinc/45/70/45/522457045.db2.gz JLZOFUDSAPIZLB-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000022073635 522468430 /nfs/dbraw/zinc/46/84/30/522468430.db2.gz IIIFCHAXTCOLPI-UHFFFAOYSA-N 1 0 430.317 5.466 40 0 IKABRO COc1cc(OC[C@@H]2C[N@H+](C)CC[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000022059591 522892857 /nfs/dbraw/zinc/89/28/57/522892857.db2.gz GVRONNVSYJRJGV-DHLKQENFSA-N 1 0 435.539 5.528 40 0 in-vitro IKABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)no2)cc1OC ZINC000012185665 523115021 /nfs/dbraw/zinc/11/50/21/523115021.db2.gz AWESESYWKXSEJF-HSZRJFAPSA-N 1 0 449.551 5.435 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(F)cc3Cl)c(OC)c2)cc1 ZINC000016216640 523974928 /nfs/dbraw/zinc/97/49/28/523974928.db2.gz FTPZMODJUUQTTK-UHFFFAOYSA-N 1 0 429.919 5.408 40 0 IKABRO CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@]5(CN(C)C6(CC[NH+](C)CC6)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000012661413 524001692 /nfs/dbraw/zinc/00/16/92/524001692.db2.gz YKZPJVAZIXEHHB-ICQXFURSSA-N 1 0 442.688 5.087 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)C1 ZINC000020452499 524233466 /nfs/dbraw/zinc/23/34/66/524233466.db2.gz HRUBQKIQWDUSHV-OAQYLSRUSA-N 1 0 433.596 5.187 40 0 IKABRO C[C@@H](CC[NH+]1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1)c1ccccc1 ZINC000012158790 524482480 /nfs/dbraw/zinc/48/24/80/524482480.db2.gz QZFPYPGNRAFDRN-SFHVURJKSA-N 1 0 431.502 5.027 40 0 IKABRO C[C@@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000022580837 524754293 /nfs/dbraw/zinc/75/42/93/524754293.db2.gz TZTINWHNVDZMRN-RVQNBHMFSA-N 1 0 434.627 6.522 40 0 IKABRO Cc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000012469048 525781759 /nfs/dbraw/zinc/78/17/59/525781759.db2.gz PFJKBXYFXBPILS-UHFFFAOYSA-N 1 0 444.000 5.136 40 0 IKABRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000035396504 526213230 /nfs/dbraw/zinc/21/32/30/526213230.db2.gz XKSWRUYYSKZLQA-RSXGOPAZSA-N 1 0 446.978 5.676 40 0 IKABRO c1ccc([C@@H]2[NH2+][C@@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@@H]2c2ccccc2)cc1 ZINC000016478173 526495780 /nfs/dbraw/zinc/49/57/80/526495780.db2.gz CXHSWOPDKRTKSI-CEUYOYMZSA-N 1 0 449.597 7.823 40 0 IKABRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000020521953 526538381 /nfs/dbraw/zinc/53/83/81/526538381.db2.gz JQUDXHRYILULGK-QHCPKHFHSA-N 1 0 444.541 5.399 40 0 IKABRO Clc1ccc(COc2ccccc2C[NH2+]CCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000016449683 526951797 /nfs/dbraw/zinc/95/17/97/526951797.db2.gz WSZWOBHGCOPDTO-UHFFFAOYSA-N 1 0 425.359 6.386 40 0 IKABRO Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)c1 ZINC000022108109 526952816 /nfs/dbraw/zinc/95/28/16/526952816.db2.gz XOLVFKZCLBFRLH-UHFFFAOYSA-N 1 0 446.363 5.111 40 0 IKABRO CC[C@H](CO)[NH2+]C[C@@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000000707005 555544983 /nfs/dbraw/zinc/54/49/83/555544983.db2.gz BXSIGACMNDJOKU-JWQCQUIFSA-N 1 0 442.603 5.314 40 0 IKABRO COc1ccc2c(C)c3[n+](cc2c1NCc1ccccc1)CCc1cc(OC)c(OC)cc1-3 ZINC000001564412 555703120 /nfs/dbraw/zinc/70/31/20/555703120.db2.gz VUVHUONREYFPAJ-UHFFFAOYSA-O 1 0 441.551 5.297 40 0 IKABRO CC(=O)c1c(=O)n(CC[NH2+]C(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000001582004 555704221 /nfs/dbraw/zinc/70/42/21/555704221.db2.gz FKWKCSOALDWNOO-UHFFFAOYSA-N 1 0 444.362 5.085 40 0 IKABRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12 ZINC000001593718 555705472 /nfs/dbraw/zinc/70/54/72/555705472.db2.gz LJMUOZPCFXRMEY-SANMLTNESA-N 1 0 430.979 6.597 40 0 IKABRO O=C1C(c2cccc3ccccc32)SC(c2cccc3ccccc32)=[N+]1c1ccccc1 ZINC000001619561 555706330 /nfs/dbraw/zinc/70/63/30/555706330.db2.gz GAPTXJYYSNUZKT-UHFFFAOYSA-O 1 0 430.552 7.371 40 0 IKABRO CC[NH+](CC)c1ccc(N[C@H](c2ccc(Cl)cc2)[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000001669485 555708848 /nfs/dbraw/zinc/70/88/48/555708848.db2.gz ZDSGIPWJEGRVHD-RPWUZVMVSA-N 1 0 429.391 6.726 40 0 IKABRO CC[NH+](CC)c1ccc(N[C@@H](c2ccc(Cl)cc2)[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000001669484 555708869 /nfs/dbraw/zinc/70/88/69/555708869.db2.gz ZDSGIPWJEGRVHD-ZEQRLZLVSA-N 1 0 429.391 6.726 40 0 IKABRO CCOC(=O)N1CC[NH+](CCCCCOc2ccc(CC(C)(C)C)cc2Cl)CC1 ZINC000004429338 555994615 /nfs/dbraw/zinc/99/46/15/555994615.db2.gz HWRANSOWKLLWPN-UHFFFAOYSA-N 1 0 425.013 5.252 40 0 IKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004769488 556011273 /nfs/dbraw/zinc/01/12/73/556011273.db2.gz XXQASABQMMKQBU-RWFZIKKDSA-N 1 0 448.759 8.557 40 0 IKABRO O=C(C[C@H]1CCC[C@@H](CC(=O)c2ccccc2)[N@@H+]1CCc1ccccc1)c1ccccc1 ZINC000005082445 556031625 /nfs/dbraw/zinc/03/16/25/556031625.db2.gz SUJNXAOXYNOELZ-MKPDMIMOSA-N 1 0 425.572 5.998 40 0 IKABRO O[C@@H](C[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)[N@@H+]1CCc1ccccc1)c1ccccc1 ZINC000005082651 556031644 /nfs/dbraw/zinc/03/16/44/556031644.db2.gz ZHOOOEZKEUBMPQ-CRNKYVSFSA-N 1 0 429.604 5.700 40 0 IKABRO O=C(C[C@@H]1CCC[C@@H](CC(=O)c2ccccc2)[NH+]1CCc1ccccc1)c1ccccc1 ZINC000005082450 556031711 /nfs/dbraw/zinc/03/17/11/556031711.db2.gz SUJNXAOXYNOELZ-SVBPBHIXSA-N 1 0 425.572 5.998 40 0 IKABRO Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3N(CCC[NH+](C)C)c3ccccc32)c1C ZINC000005337818 556046353 /nfs/dbraw/zinc/04/63/53/556046353.db2.gz ZOVPLOJFYGTIOU-XMMPIXPASA-N 1 0 427.592 5.672 40 0 IKABRO Oc1ccccc1[C@@H]1C=C(c2ccccc2)NC(N2CCCCC2)=C1c1nc2ccccc2[nH]1 ZINC000005724435 556063850 /nfs/dbraw/zinc/06/38/50/556063850.db2.gz XECDJUHIUDDYCD-QFIPXVFZSA-N 1 0 448.570 5.851 40 0 IKABRO CC[N@@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000005810393 556066659 /nfs/dbraw/zinc/06/66/59/556066659.db2.gz OJDYOYOACQNEAI-XOBRGWDASA-N 1 0 447.189 5.713 40 0 IKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C)ccc21 ZINC000005837766 556067243 /nfs/dbraw/zinc/06/72/43/556067243.db2.gz VPALBSZUBPFIFX-SANMLTNESA-N 1 0 425.016 6.799 40 0 IKABRO COc1ccc(CC[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cc1OC ZINC000008493571 556186535 /nfs/dbraw/zinc/18/65/35/556186535.db2.gz ZZPWCPLJJOTFJL-UHFFFAOYSA-N 1 0 427.544 5.768 40 0 IKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(O)cccc12 ZINC000008627696 556193811 /nfs/dbraw/zinc/19/38/11/556193811.db2.gz FDSCJBNNBOEULF-MUUNZHRXSA-N 1 0 448.651 7.103 40 0 IKABRO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12 ZINC000008667766 556198243 /nfs/dbraw/zinc/19/82/43/556198243.db2.gz LJMUOZPCFXRMEY-AREMUKBSSA-N 1 0 430.979 6.597 40 0 IKABRO O=C1[C@H]2[C@H](c3ccccc3)O[C@@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000036372328 556307130 /nfs/dbraw/zinc/30/71/30/556307130.db2.gz IBONGHOLTHILSV-KUGJVLABSA-N 1 0 445.562 6.387 40 0 IKABRO COc1ccc2c(c1)N[C@@]1(COC3(C1)CC[NH+](Cc1ccccc1Cl)CC3)c1cccn1-2 ZINC000012086186 556399678 /nfs/dbraw/zinc/39/96/78/556399678.db2.gz ZDKYNBCYHBXLSO-SANMLTNESA-N 1 0 449.982 5.215 40 0 IKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039761178 556436233 /nfs/dbraw/zinc/43/62/33/556436233.db2.gz KGLJGZORUXQVSQ-UHFFFAOYSA-N 1 0 434.580 5.969 40 0 IKABRO O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039768564 556437348 /nfs/dbraw/zinc/43/73/48/556437348.db2.gz NIGYKWGCUAEZJA-UHFFFAOYSA-N 1 0 437.008 6.342 40 0 IKABRO O=C(NCCSCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039773600 556437704 /nfs/dbraw/zinc/43/77/04/556437704.db2.gz FXULMYHHEAMSOI-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039747478 556438440 /nfs/dbraw/zinc/43/84/40/556438440.db2.gz XRRJXQYQVWKGFY-UHFFFAOYSA-N 1 0 432.178 6.151 40 0 IKABRO O=C(NCCSCc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039755522 556439054 /nfs/dbraw/zinc/43/90/54/556439054.db2.gz QCWBFMFISUZSMS-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039757261 556440036 /nfs/dbraw/zinc/44/00/36/556440036.db2.gz HJKLJDFXGCSPTR-UHFFFAOYSA-N 1 0 431.983 5.172 40 0 IKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039757972 556441660 /nfs/dbraw/zinc/44/16/60/556441660.db2.gz BQHOPSRVZNYZJO-UHFFFAOYSA-N 1 0 434.967 5.770 40 0 IKABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)CC2)c1 ZINC000039759542 556441956 /nfs/dbraw/zinc/44/19/56/556441956.db2.gz VPLOLEPGFFZXGO-UHFFFAOYSA-N 1 0 446.566 5.242 40 0 IKABRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OCC ZINC000039759715 556442360 /nfs/dbraw/zinc/44/23/60/556442360.db2.gz ULAXKWXWHOORHR-GOSISDBHSA-N 1 0 445.003 5.227 40 0 IKABRO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000030943335 556516580 /nfs/dbraw/zinc/51/65/80/556516580.db2.gz OMJDKHOZDMXBDH-HXUWFJFHSA-N 1 0 428.960 5.148 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1 ZINC000030947141 556517267 /nfs/dbraw/zinc/51/72/67/556517267.db2.gz FTOOAQJNBBDOGE-UHFFFAOYSA-N 1 0 442.647 6.639 40 0 IKABRO Cc1c(Cl)ccc2c([C@H](O)C[NH2+]Cc3ccccc3)cc(-c3ccc(Cl)cc3)nc12 ZINC000031614441 556524787 /nfs/dbraw/zinc/52/47/87/556524787.db2.gz QGSBHKGMFVUSRO-XMMPIXPASA-N 1 0 437.370 6.340 40 0 IKABRO CCOC(=O)c1c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)sc2c1CCCC2 ZINC000013678123 556555502 /nfs/dbraw/zinc/55/55/02/556555502.db2.gz UHEAIWMYCDSDIM-UHFFFAOYSA-N 1 0 426.582 5.042 40 0 IKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195511 556589815 /nfs/dbraw/zinc/58/98/15/556589815.db2.gz GQQMNVAZQSXNSB-UHFFFAOYSA-N 1 0 436.365 5.988 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195494 556589893 /nfs/dbraw/zinc/58/98/93/556589893.db2.gz LWWJWFYCWHQMJN-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000016195715 556590118 /nfs/dbraw/zinc/59/01/18/556590118.db2.gz ARJXGWOOKBOION-UHFFFAOYSA-N 1 0 426.354 5.369 40 0 IKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195623 556590129 /nfs/dbraw/zinc/59/01/29/556590129.db2.gz DZUKEIVBVHMIGC-UHFFFAOYSA-N 1 0 442.814 7.047 40 0 IKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000016195711 556590172 /nfs/dbraw/zinc/59/01/72/556590172.db2.gz BXUJOEJUTGOHTN-UHFFFAOYSA-N 1 0 444.344 5.508 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl ZINC000016195823 556590447 /nfs/dbraw/zinc/59/04/47/556590447.db2.gz CUYGFLXUNQOUBA-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1c(Cl)cccc1Cl ZINC000016196272 556590486 /nfs/dbraw/zinc/59/04/86/556590486.db2.gz HIVPSOGAIFZTLU-UHFFFAOYSA-N 1 0 446.330 5.600 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016216643 556591938 /nfs/dbraw/zinc/59/19/38/556591938.db2.gz NVUYXGOTHHOVMM-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000016216634 556591942 /nfs/dbraw/zinc/59/19/42/556591942.db2.gz JBBMYRLBFGSCAT-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC ZINC000016227420 556593120 /nfs/dbraw/zinc/59/31/20/556593120.db2.gz CDGJIBBWNYVSCH-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000016450019 556609173 /nfs/dbraw/zinc/60/91/73/556609173.db2.gz CKMRRVVTVXFYTA-UHFFFAOYSA-N 1 0 444.300 5.186 40 0 IKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]CCc1ccccc1 ZINC000016479340 556611241 /nfs/dbraw/zinc/61/12/41/556611241.db2.gz IHMPOOHHKRQPJF-UHFFFAOYSA-N 1 0 430.773 6.014 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1 ZINC000038753253 556616443 /nfs/dbraw/zinc/61/64/43/556616443.db2.gz SJWOKKFWSDUUDT-IBGZPJMESA-N 1 0 434.967 6.617 40 0 IKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccccc1Cl ZINC000016606002 556616982 /nfs/dbraw/zinc/61/69/82/556616982.db2.gz KDNVQDKZQLMXSD-WXIHSGNDSA-N 1 0 440.027 6.766 40 0 IKABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Br)c1OCc1ccccc1Cl ZINC000016610314 556617614 /nfs/dbraw/zinc/61/76/14/556617614.db2.gz ZLVSRANMKOCODF-CQSZACIVSA-N 1 0 426.782 5.968 40 0 IKABRO CCOC(=O)c1c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)sc2c1CCCC2 ZINC000038772341 556619192 /nfs/dbraw/zinc/61/91/92/556619192.db2.gz AEEVFWDZJVUBOJ-KRWDZBQOSA-N 1 0 440.609 5.288 40 0 IKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000016638163 556619257 /nfs/dbraw/zinc/61/92/57/556619257.db2.gz UGZFETOUGDJDED-UHFFFAOYSA-N 1 0 440.809 6.360 40 0 IKABRO O=C(NCCSCc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038837370 556623424 /nfs/dbraw/zinc/62/34/24/556623424.db2.gz OTZMVAIKGMZTRE-SFHVURJKSA-N 1 0 437.436 5.255 40 0 IKABRO O=C(NCCSCc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038837373 556623676 /nfs/dbraw/zinc/62/36/76/556623676.db2.gz OTZMVAIKGMZTRE-GOSISDBHSA-N 1 0 437.436 5.255 40 0 IKABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850862 556624758 /nfs/dbraw/zinc/62/47/58/556624758.db2.gz AXQQQWIOGZEEGB-JOCHJYFZSA-N 1 0 445.434 5.687 40 0 IKABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850865 556624771 /nfs/dbraw/zinc/62/47/71/556624771.db2.gz AXQQQWIOGZEEGB-QFIPXVFZSA-N 1 0 445.434 5.687 40 0 IKABRO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850874 556624804 /nfs/dbraw/zinc/62/48/04/556624804.db2.gz GMJXPSMYSBYWKP-OAQYLSRUSA-N 1 0 445.434 5.687 40 0 IKABRO O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038854600 556625487 /nfs/dbraw/zinc/62/54/87/556625487.db2.gz LGWBIUKWSKSEML-UHFFFAOYSA-N 1 0 433.596 5.377 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688467 556626343 /nfs/dbraw/zinc/62/63/43/556626343.db2.gz PAQJSYZVJLZYPY-UHFFFAOYSA-N 1 0 448.365 6.443 40 0 IKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688458 556626386 /nfs/dbraw/zinc/62/63/86/556626386.db2.gz ZGEJKLMWDLOLRX-JOCHJYFZSA-N 1 0 446.374 5.794 40 0 IKABRO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1ccccc1 ZINC000016688624 556626693 /nfs/dbraw/zinc/62/66/93/556626693.db2.gz TUVWORBJTUYVNM-UHFFFAOYSA-N 1 0 427.342 5.112 40 0 IKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688683 556626711 /nfs/dbraw/zinc/62/67/11/556626711.db2.gz MYMYIXPUYLISFR-JOCHJYFZSA-N 1 0 446.374 5.794 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1ccccc1 ZINC000016688605 556626723 /nfs/dbraw/zinc/62/67/23/556626723.db2.gz KBMCIXSXBYXPEL-UHFFFAOYSA-N 1 0 432.402 6.239 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F ZINC000016688754 556627015 /nfs/dbraw/zinc/62/70/15/556627015.db2.gz WKKBVQZLGPXJPW-UHFFFAOYSA-N 1 0 434.338 6.400 40 0 IKABRO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1ccccc1F ZINC000016688736 556627063 /nfs/dbraw/zinc/62/70/63/556627063.db2.gz ULVZASQYFCVOHN-UHFFFAOYSA-N 1 0 445.332 5.251 40 0 IKABRO C[NH+](C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768336 556640068 /nfs/dbraw/zinc/64/00/68/556640068.db2.gz QIWVGQNMSUPDMA-UHFFFAOYSA-N 1 0 425.458 5.080 40 0 IKABRO CC[NH+](CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016768302 556640106 /nfs/dbraw/zinc/64/01/06/556640106.db2.gz PWWASVMTOMRWPO-UHFFFAOYSA-N 1 0 433.987 5.803 40 0 IKABRO CCOc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044851489 556670423 /nfs/dbraw/zinc/67/04/23/556670423.db2.gz VIRSVCLYLLGXDN-UHFFFAOYSA-N 1 0 428.576 5.006 40 0 IKABRO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855175 556671277 /nfs/dbraw/zinc/67/12/77/556671277.db2.gz QBBDWPFHEWIHBM-DENIHFKCSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@@H+]3CCc4ccccc4C3)cc1)CC(C)(C)O2 ZINC000044855279 556671324 /nfs/dbraw/zinc/67/13/24/556671324.db2.gz SIKJKYXOZMGNLB-AREMUKBSSA-N 1 0 440.587 5.586 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044855326 556671677 /nfs/dbraw/zinc/67/16/77/556671677.db2.gz OAAGBHZUELTVFN-DENIHFKCSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc(SCc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)cc1 ZINC000044873452 556673679 /nfs/dbraw/zinc/67/36/79/556673679.db2.gz IRKFIKWWUZWFSE-UHFFFAOYSA-N 1 0 444.644 6.203 40 0 IKABRO O[C@H](CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3)C[NH+]1CCCCC1 ZINC000017666637 556678565 /nfs/dbraw/zinc/67/85/65/556678565.db2.gz WEOJIUMBVVUGJJ-HOFKKMOUSA-N 1 0 435.656 5.229 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)C1 ZINC000044905442 556679792 /nfs/dbraw/zinc/67/97/92/556679792.db2.gz LMQRHQDQQTWFEL-OAQYLSRUSA-N 1 0 446.566 5.567 40 0 IKABRO O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044915932 556681154 /nfs/dbraw/zinc/68/11/54/556681154.db2.gz PICLRXBQJCHWSD-UHFFFAOYSA-N 1 0 446.550 5.728 40 0 IKABRO CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044916034 556681365 /nfs/dbraw/zinc/68/13/65/556681365.db2.gz UCIRIDQWKSQHAG-JOCHJYFZSA-N 1 0 429.004 5.088 40 0 IKABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000044937262 556682916 /nfs/dbraw/zinc/68/29/16/556682916.db2.gz OAWKOMASGHVCLR-XMMPIXPASA-N 1 0 429.004 5.464 40 0 IKABRO Cc1ccccc1[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044937737 556682993 /nfs/dbraw/zinc/68/29/93/556682993.db2.gz LCUJQHZZILIEHY-SSEXGKCCSA-N 1 0 446.594 6.073 40 0 IKABRO CCOC(=O)c1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)ccc1Cl ZINC000044939557 556683283 /nfs/dbraw/zinc/68/32/83/556683283.db2.gz MNWRMWDVXNKXFN-INIZCTEOSA-N 1 0 435.351 5.021 40 0 IKABRO CC(C)c1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)nc2c1 ZINC000226308375 556684259 /nfs/dbraw/zinc/68/42/59/556684259.db2.gz AVIAIQYLLXMTFA-UHFFFAOYSA-N 1 0 426.309 5.856 40 0 IKABRO O=C(C[NH+]1CCCCCC1)Nc1c2c(nc3ccccc31)N(c1cccc(Cl)c1)CC2 ZINC000000823171 556699427 /nfs/dbraw/zinc/69/94/27/556699427.db2.gz KDMXHTHJLXFTQX-UHFFFAOYSA-N 1 0 434.971 5.397 40 0 IKABRO Cc1ccc(-c2ccccc2CC2(C(=O)NCC(C)(C)C[NH+](C)C)CCOCC2)c(C)c1 ZINC000019132879 556704691 /nfs/dbraw/zinc/70/46/91/556704691.db2.gz GTMLXKPFXASPHD-UHFFFAOYSA-N 1 0 436.640 5.014 40 0 IKABRO COc1c(C)cccc1C[NH+]1CCC([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019235928 556720368 /nfs/dbraw/zinc/72/03/68/556720368.db2.gz YMIGXUQRSPBLFJ-AREMUKBSSA-N 1 0 435.612 5.048 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000019294176 556734173 /nfs/dbraw/zinc/73/41/73/556734173.db2.gz URUTZLZAHDMYKW-UHFFFAOYSA-N 1 0 440.526 5.196 40 0 IKABRO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCC[N@@H+]3[C@@H]3CCSC3)nn21 ZINC000019343869 556741845 /nfs/dbraw/zinc/74/18/45/556741845.db2.gz QUDLRRSRMZPSRT-DUFGSWQCSA-N 1 0 428.549 5.247 40 0 IKABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000019347724 556743453 /nfs/dbraw/zinc/74/34/53/556743453.db2.gz USZWDBLMVSLOED-CQOQZXRMSA-N 1 0 438.543 5.157 40 0 IKABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000019347726 556743601 /nfs/dbraw/zinc/74/36/01/556743601.db2.gz GBGZDJCJJQDXQX-CQOQZXRMSA-N 1 0 438.543 5.157 40 0 IKABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400604 556753148 /nfs/dbraw/zinc/75/31/48/556753148.db2.gz FWYNNGDBIOFPQV-BWKNWUBXSA-N 1 0 442.588 5.075 40 0 IKABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400607 556753309 /nfs/dbraw/zinc/75/33/09/556753309.db2.gz FWYNNGDBIOFPQV-PXDATVDWSA-N 1 0 442.588 5.075 40 0 IKABRO COc1ccc(-c2cc3nc(-c4ccccc4)cc(NCC(C)(C)C[NH+](C)C)n3n2)cc1 ZINC000001341320 556778234 /nfs/dbraw/zinc/77/82/34/556778234.db2.gz NUXMLMNQDOATAW-UHFFFAOYSA-N 1 0 429.568 5.072 40 0 IKABRO CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000019523079 556780225 /nfs/dbraw/zinc/78/02/25/556780225.db2.gz JLBYIZSPMPUOCZ-JOCHJYFZSA-N 1 0 443.595 5.203 40 0 IKABRO CCN(CC)c1ncc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)s1 ZINC000019526517 556784482 /nfs/dbraw/zinc/78/44/82/556784482.db2.gz ROVBHKQBBWXUEQ-UHFFFAOYSA-N 1 0 435.544 5.151 40 0 IKABRO Cc1c(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)[nH]c2ccc(F)cc12 ZINC000019565474 556806245 /nfs/dbraw/zinc/80/62/45/556806245.db2.gz PPXBKEPZNKWUMH-OAQYLSRUSA-N 1 0 442.604 5.188 40 0 IKABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c(C)c1C ZINC000019577312 556815395 /nfs/dbraw/zinc/81/53/95/556815395.db2.gz JAWIVDOGEWOOIF-RUZDIDTESA-N 1 0 449.620 5.152 40 0 IKABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c(C)c1C ZINC000019577314 556815451 /nfs/dbraw/zinc/81/54/51/556815451.db2.gz JAWIVDOGEWOOIF-VWLOTQADSA-N 1 0 449.620 5.152 40 0 IKABRO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 ZINC000019581659 556819686 /nfs/dbraw/zinc/81/96/86/556819686.db2.gz SNFHUXMLVXTTSW-LOSJGSFVSA-N 1 0 442.559 5.014 40 0 IKABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000063720233 556821549 /nfs/dbraw/zinc/82/15/49/556821549.db2.gz RSUMDFBTCAAZNY-WAEXSRKISA-N 1 0 443.031 5.085 40 0 IKABRO CC[NH+](CC)C[C@@]1(Sc2ccc(C)cc2)COc2cc(C)c(Br)cc2C1=O ZINC000019596859 556830939 /nfs/dbraw/zinc/83/09/39/556830939.db2.gz JWYHPAKRJMAQAT-JOCHJYFZSA-N 1 0 448.426 5.514 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000006511281 556838113 /nfs/dbraw/zinc/83/81/13/556838113.db2.gz SJPZDKWKKBIDGH-UHFFFAOYSA-N 1 0 445.991 5.981 40 0 IKABRO CCN(CC)P1Oc2c(cc(C)cc2C(C)(C)C)Cc2cc(C)cc(C(C)(C)C)c2O1 ZINC000003125925 556841226 /nfs/dbraw/zinc/84/12/26/556841226.db2.gz NRGOJRVWTVSCJH-UHFFFAOYSA-N 1 0 441.596 7.829 40 0 IKABRO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)cc1 ZINC000019689989 556845263 /nfs/dbraw/zinc/84/52/63/556845263.db2.gz LXVHBTKIIWFVKE-HSZRJFAPSA-N 1 0 449.986 5.159 40 0 IKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@H+](Cc4c(C)nn(C(C)C)c4C)C3)nc2)c1 ZINC000019690230 556845723 /nfs/dbraw/zinc/84/57/23/556845723.db2.gz GEOHUZFSKXDHOM-DEOSSOPVSA-N 1 0 432.612 5.455 40 0 IKABRO Fc1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccnc4ccccc34)[nH]n2)cc1F ZINC000019703712 556862256 /nfs/dbraw/zinc/86/22/56/556862256.db2.gz FMTDBZYWPPVGMA-RUZDIDTESA-N 1 0 434.490 5.195 40 0 IKABRO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019743110 556887437 /nfs/dbraw/zinc/88/74/37/556887437.db2.gz PUWFKKHSCBOYDX-DEOSSOPVSA-N 1 0 432.612 5.167 40 0 IKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330457 556905724 /nfs/dbraw/zinc/90/57/24/556905724.db2.gz YPMYTOKLIJGYTK-GJZUVCINSA-N 1 0 435.612 5.048 40 0 IKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000072330496 556906284 /nfs/dbraw/zinc/90/62/84/556906284.db2.gz OMCGVHHFEZRBJQ-GJZUVCINSA-N 1 0 443.591 5.090 40 0 IKABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000072330551 556906590 /nfs/dbraw/zinc/90/65/90/556906590.db2.gz HIXPCWQFYIIFFW-NAKRPHOHSA-N 1 0 427.592 5.092 40 0 IKABRO Cc1ccsc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000072330553 556906656 /nfs/dbraw/zinc/90/66/56/556906656.db2.gz HKPWKVCNGBNTTD-GJZUVCINSA-N 1 0 433.621 5.154 40 0 IKABRO C=C1[NH+]=C(SCc2ccc(Cl)cc2Cl)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408991834 556911755 /nfs/dbraw/zinc/91/17/55/556911755.db2.gz RELAPNOGRLKTPE-IBGZPJMESA-N 1 0 435.376 5.764 40 0 IKABRO CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000072344943 556916123 /nfs/dbraw/zinc/91/61/23/556916123.db2.gz BDUIUKBSWOVANS-OAQYLSRUSA-N 1 0 445.007 5.202 40 0 IKABRO CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000072352607 556924745 /nfs/dbraw/zinc/92/47/45/556924745.db2.gz WVUNHTCSCQSAQR-HXUWFJFHSA-N 1 0 447.604 5.085 40 0 IKABRO CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000072352629 556924829 /nfs/dbraw/zinc/92/48/29/556924829.db2.gz UBZDXKCLXKMAAE-HXUWFJFHSA-N 1 0 447.604 5.085 40 0 IKABRO Cc1cccc(Nc2ccc([C@@H]3CCC[N@H+]3Cc3cc4ccccc4nc3N(C)C)nc2)n1 ZINC000072353094 556925483 /nfs/dbraw/zinc/92/54/83/556925483.db2.gz SMQHXNSFIJWGBC-VWLOTQADSA-N 1 0 438.579 5.480 40 0 IKABRO Cc1cccnc1Nc1ccc([C@H]2CCC[N@H+]2Cc2cc3ccccc3nc2N(C)C)nc1 ZINC000072353097 556925495 /nfs/dbraw/zinc/92/54/95/556925495.db2.gz RHYANFVXJGSIAT-RUZDIDTESA-N 1 0 438.579 5.480 40 0 IKABRO CCc1c(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000072361008 556933274 /nfs/dbraw/zinc/93/32/74/556933274.db2.gz CKJYGHLQPFDEDC-KRWDZBQOSA-N 1 0 446.620 5.042 40 0 IKABRO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H]3Cc3c4ccccc4sc3C(N)=O)c2)n1 ZINC000072370308 556934470 /nfs/dbraw/zinc/93/44/70/556934470.db2.gz OJBNWHNIDVRPTC-FQEVSTJZSA-N 1 0 444.604 5.010 40 0 IKABRO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3cccc4ncccc34)C2)[nH]n1 ZINC000072371723 556940392 /nfs/dbraw/zinc/94/03/92/556940392.db2.gz XXIKNKKBVRRXQW-LJQANCHMSA-N 1 0 432.955 5.222 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371738 556940441 /nfs/dbraw/zinc/94/04/41/556940441.db2.gz YCTMOKFBBYSNIR-LJQANCHMSA-N 1 0 442.007 5.068 40 0 IKABRO Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)n2)n1 ZINC000072375695 556952636 /nfs/dbraw/zinc/95/26/36/556952636.db2.gz HNMZQMJLOLQYBN-IBGZPJMESA-N 1 0 441.645 5.201 40 0 IKABRO COc1ccc2c(c1)c(C[N@@H+]1CCC[C@H]1c1cccc(Nc3ncccn3)n1)cn2C(C)C ZINC000072375778 556953069 /nfs/dbraw/zinc/95/30/69/556953069.db2.gz FQRKMDUUBKUSRD-DEOSSOPVSA-N 1 0 442.567 5.497 40 0 IKABRO COCc1cc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3nccs3)n2)ccc1OC(C)C ZINC000072375844 556953205 /nfs/dbraw/zinc/95/32/05/556953205.db2.gz BCVAAKQKDOUWMU-NRFANRHFSA-N 1 0 438.597 5.552 40 0 IKABRO CCc1nnc(Nc2cccc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)s1 ZINC000072376161 556954184 /nfs/dbraw/zinc/95/41/84/556954184.db2.gz NVNAXYYHBJPODL-UHFFFAOYSA-N 1 0 430.581 5.167 40 0 IKABRO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@@H+]2Cc2cccc(OC)c2OC)n1 ZINC000072390677 556961383 /nfs/dbraw/zinc/96/13/83/556961383.db2.gz FXGDUJBXQSZRNJ-QFIPXVFZSA-N 1 0 432.568 5.236 40 0 IKABRO Cc1c(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccccc12 ZINC000072394597 556965946 /nfs/dbraw/zinc/96/59/46/556965946.db2.gz RXBSDQBPZJQWII-OAQYLSRUSA-N 1 0 425.598 5.313 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)ccc21 ZINC000020106540 556983039 /nfs/dbraw/zinc/98/30/39/556983039.db2.gz SDKOSOAUIPOZSX-FQEVSTJZSA-N 1 0 425.576 6.299 40 0 IKABRO CCCCC[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343533 557123516 /nfs/dbraw/zinc/12/35/16/557123516.db2.gz INXGAHHQCIHNOR-ZSEJKAPFSA-N 1 0 443.631 6.897 40 0 IKABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1CO ZINC000585176616 557136832 /nfs/dbraw/zinc/13/68/32/557136832.db2.gz VFIQRKOKWCNGDI-QHCPKHFHSA-N 1 0 434.555 5.082 40 0 IKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccs1 ZINC000022107599 557177565 /nfs/dbraw/zinc/17/75/65/557177565.db2.gz YIANCKYYAJWQJT-UHFFFAOYSA-N 1 0 426.969 5.803 40 0 IKABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 ZINC000008832659 557177748 /nfs/dbraw/zinc/17/77/48/557177748.db2.gz JCVGZMXSKJKVCP-UHFFFAOYSA-N 1 0 444.362 5.648 40 0 IKABRO COc1cc(F)ccc1-c1ccc2nc(C3CC[NH+](Cc4sccc4C)CC3)nn2c1 ZINC000096267324 557192952 /nfs/dbraw/zinc/19/29/52/557192952.db2.gz RRKHNIFSLUINBW-UHFFFAOYSA-N 1 0 436.556 5.294 40 0 IKABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccccc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000585260850 557193827 /nfs/dbraw/zinc/19/38/27/557193827.db2.gz XCGGNQGBECOWIH-VWLOTQADSA-N 1 0 440.584 5.086 40 0 IKABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+](Cc4c(C)nc5cc(C)ccn54)C3)n2)s1 ZINC000585262677 557203108 /nfs/dbraw/zinc/20/31/08/557203108.db2.gz SCPWBNVNAZZQKU-IBGZPJMESA-N 1 0 432.597 5.234 40 0 IKABRO O=C(Nc1ccc(Br)c(Cl)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063337 557214231 /nfs/dbraw/zinc/21/42/31/557214231.db2.gz BBIZELOSHLPUMF-UHFFFAOYSA-N 1 0 442.184 5.607 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774798 557264319 /nfs/dbraw/zinc/26/43/19/557264319.db2.gz MUQTZNFKVHLTEF-GCJKJVERSA-N 1 0 448.438 6.037 40 0 IKABRO CC(C)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960444 557272405 /nfs/dbraw/zinc/27/24/05/557272405.db2.gz KSGUQLNSZQVYOF-UHFFFAOYSA-N 1 0 426.604 6.517 40 0 IKABRO Cc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219962551 557272593 /nfs/dbraw/zinc/27/25/93/557272593.db2.gz CNEGHDUYADCYCL-UHFFFAOYSA-N 1 0 440.631 5.812 40 0 IKABRO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219961137 557272682 /nfs/dbraw/zinc/27/26/82/557272682.db2.gz GQARCRJAUIWHQM-UHFFFAOYSA-N 1 0 442.603 6.181 40 0 IKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1C ZINC000219963036 557272697 /nfs/dbraw/zinc/27/26/97/557272697.db2.gz OZRDIUJSOBGOAH-XMMPIXPASA-N 1 0 440.631 6.249 40 0 IKABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000022913654 557273050 /nfs/dbraw/zinc/27/30/50/557273050.db2.gz MPNRDKGQWSVHOO-OAQYLSRUSA-N 1 0 426.604 6.033 40 0 IKABRO CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063838 557278729 /nfs/dbraw/zinc/27/87/29/557278729.db2.gz FMDVLGNSTQQKMI-XMMPIXPASA-N 1 0 448.615 5.224 40 0 IKABRO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500136 557323926 /nfs/dbraw/zinc/32/39/26/557323926.db2.gz VOVWKJUKKGOZLP-DEOSSOPVSA-N 1 0 448.615 5.224 40 0 IKABRO Cc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500627 557323971 /nfs/dbraw/zinc/32/39/71/557323971.db2.gz ZYOSCURQRURKSH-DEOSSOPVSA-N 1 0 448.615 5.080 40 0 IKABRO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501121 557324556 /nfs/dbraw/zinc/32/45/56/557324556.db2.gz RUVLJMXLYQKUAT-QHCPKHFHSA-N 1 0 448.615 5.224 40 0 IKABRO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500098 557329950 /nfs/dbraw/zinc/32/99/50/557329950.db2.gz FCMQLBSZLNMPDC-QHCPKHFHSA-N 1 0 448.615 5.224 40 0 IKABRO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccc(F)cc3)cc12 ZINC000013564678 557340984 /nfs/dbraw/zinc/34/09/84/557340984.db2.gz YDQDMYYJDWYDIZ-UHFFFAOYSA-N 1 0 438.934 5.094 40 0 IKABRO Cc1ccc(C[NH2+]Cc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000013564741 557341001 /nfs/dbraw/zinc/34/10/01/557341001.db2.gz DOTQQBMEVXTZIC-UHFFFAOYSA-N 1 0 438.506 5.118 40 0 IKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000072215732 557342580 /nfs/dbraw/zinc/34/25/80/557342580.db2.gz WQIXAQMZOFEMDC-XMMPIXPASA-N 1 0 435.612 6.493 40 0 IKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000072215768 557342716 /nfs/dbraw/zinc/34/27/16/557342716.db2.gz SJYPLCPLKHNMIS-VWLOTQADSA-N 1 0 449.639 6.883 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072215889 557343030 /nfs/dbraw/zinc/34/30/30/557343030.db2.gz SCNSJQWOKIFVGL-RUZDIDTESA-N 1 0 443.591 6.882 40 0 IKABRO Cc1cccc(-c2cc3nc4c(c(NC5CC[NH+](Cc6ccccc6)CC5)n3n2)CCC4)c1 ZINC000013562653 557353112 /nfs/dbraw/zinc/35/31/12/557353112.db2.gz YTARQNKXYHWWOB-UHFFFAOYSA-N 1 0 437.591 5.270 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000072345039 557377364 /nfs/dbraw/zinc/37/73/64/557377364.db2.gz JJJTXVCBBXRJPC-UHFFFAOYSA-N 1 0 427.592 5.100 40 0 IKABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958850 557381623 /nfs/dbraw/zinc/38/16/23/557381623.db2.gz MEWSBGJRCCCMBF-QFIPXVFZSA-N 1 0 442.603 5.641 40 0 IKABRO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958802 557381655 /nfs/dbraw/zinc/38/16/55/557381655.db2.gz IQEFWZFCLBGLQZ-GDLZYMKVSA-N 1 0 438.615 5.949 40 0 IKABRO COc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349945 557385086 /nfs/dbraw/zinc/38/50/86/557385086.db2.gz FHUZNYPWEJFYRB-QHCPKHFHSA-N 1 0 429.564 5.019 40 0 IKABRO COc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)n1 ZINC000072349947 557385113 /nfs/dbraw/zinc/38/51/13/557385113.db2.gz XYVXOLAKVHIMKN-UHFFFAOYSA-N 1 0 429.564 5.019 40 0 IKABRO O=C(NCc1ccc2ccccc2c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000222804095 557388365 /nfs/dbraw/zinc/38/83/65/557388365.db2.gz XJYIYXPWUXRISM-UHFFFAOYSA-N 1 0 448.610 6.225 40 0 IKABRO COc1ccc(CC[N@H+](Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1OC ZINC000013989492 557400243 /nfs/dbraw/zinc/40/02/43/557400243.db2.gz MAGTUACVUBFCKB-UHFFFAOYSA-N 1 0 430.470 5.363 40 0 IKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118929605 557406884 /nfs/dbraw/zinc/40/68/84/557406884.db2.gz XXQASABQMMKQBU-BSIBRXHZSA-N 1 0 448.759 8.557 40 0 IKABRO CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014013616 557418332 /nfs/dbraw/zinc/41/83/32/557418332.db2.gz RSPBMUOSLOTIDH-SANMLTNESA-N 1 0 428.576 5.086 40 0 IKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103797 557431832 /nfs/dbraw/zinc/43/18/32/557431832.db2.gz BRTDOMGMCKWXFB-RUZDIDTESA-N 1 0 425.016 5.698 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1C(C)C ZINC000223349188 557461031 /nfs/dbraw/zinc/46/10/31/557461031.db2.gz HTDQVKLUPLVQPY-IBGZPJMESA-N 1 0 443.031 5.870 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C(C)C ZINC000223350414 557461368 /nfs/dbraw/zinc/46/13/68/557461368.db2.gz FSOPVIHUKFSXCC-IBGZPJMESA-N 1 0 426.576 5.356 40 0 IKABRO COc1c(Br)cc(Br)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000016194485 557470510 /nfs/dbraw/zinc/47/05/10/557470510.db2.gz ZIQPBFWWAFIANP-UHFFFAOYSA-N 1 0 438.163 5.034 40 0 IKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(Cl)c1 ZINC000016576189 557474455 /nfs/dbraw/zinc/47/44/55/557474455.db2.gz NNYQKWKGRSFOHD-KXEBGOAGSA-N 1 0 440.027 6.622 40 0 IKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000017096640 557477146 /nfs/dbraw/zinc/47/71/46/557477146.db2.gz CLZJQOXSUXJHOY-UHFFFAOYSA-N 1 0 429.589 5.466 40 0 IKABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 ZINC000017096780 557477702 /nfs/dbraw/zinc/47/77/02/557477702.db2.gz CYNZAFQREZOWIZ-UHFFFAOYSA-N 1 0 430.335 5.258 40 0 IKABRO Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CC[NH+](C)CC3)o2)cc1Cl ZINC000017099875 557483645 /nfs/dbraw/zinc/48/36/45/557483645.db2.gz GVAMIDFKFIRBSV-ZRDIBKRKSA-N 1 0 435.955 5.312 40 0 IKABRO CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223668137 557499727 /nfs/dbraw/zinc/49/97/27/557499727.db2.gz BBMOWXLIMKIMGJ-UHFFFAOYSA-N 1 0 442.603 5.351 40 0 IKABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000019646488 557505191 /nfs/dbraw/zinc/50/51/91/557505191.db2.gz NOLJJOSCKZOCHO-UHFFFAOYSA-N 1 0 447.604 5.234 40 0 IKABRO CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223730009 557506696 /nfs/dbraw/zinc/50/66/96/557506696.db2.gz TZGJOIABHSBGSF-FQEVSTJZSA-N 1 0 429.004 5.045 40 0 IKABRO CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224359887 557597829 /nfs/dbraw/zinc/59/78/29/557597829.db2.gz AGCWCNFGRILBDD-LOSJGSFVSA-N 1 0 439.588 5.568 40 0 IKABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1c1ccc(Cl)cc1 ZINC000224456983 557608435 /nfs/dbraw/zinc/60/84/35/557608435.db2.gz CTVKSMXDDASFJZ-FGZHOGPDSA-N 1 0 431.952 5.098 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224526630 557616889 /nfs/dbraw/zinc/61/68/89/557616889.db2.gz CAVQIDPOLCELLR-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO CCc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000224570607 557625280 /nfs/dbraw/zinc/62/52/80/557625280.db2.gz DKWMKPHRRXQCPW-QHCPKHFHSA-N 1 0 440.631 6.195 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1SCc1ccccc1 ZINC000224668827 557638472 /nfs/dbraw/zinc/63/84/72/557638472.db2.gz DIYHDOPWVNBCGB-UHFFFAOYSA-N 1 0 430.617 5.895 40 0 IKABRO CC(C)n1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)ccc21 ZINC000225166087 557695009 /nfs/dbraw/zinc/69/50/09/557695009.db2.gz UBPVNVFHUBNMJA-UHFFFAOYSA-N 1 0 444.000 5.148 40 0 IKABRO Cc1cc(NCCNC(=S)Nc2c(C)cc(Br)cc2C)c2ccccc2[nH+]1 ZINC000225223588 557701976 /nfs/dbraw/zinc/70/19/76/557701976.db2.gz VMUMIBBRVHUVKW-UHFFFAOYSA-N 1 0 443.414 5.321 40 0 IKABRO CC(C)CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)s1 ZINC000225359372 557713875 /nfs/dbraw/zinc/71/38/75/557713875.db2.gz XQCSUQWPXNEIMZ-UHFFFAOYSA-N 1 0 438.622 5.097 40 0 IKABRO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCC[NH+]3CCCCC3)c2)cc1 ZINC000225410825 557719630 /nfs/dbraw/zinc/71/96/30/557719630.db2.gz FKVGARYLKVWPJQ-UHFFFAOYSA-N 1 0 437.653 5.378 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)C1 ZINC000225432133 557722329 /nfs/dbraw/zinc/72/23/29/557722329.db2.gz MDMOCWYNBGZZHI-HNNXBMFYSA-N 1 0 426.973 5.343 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCCC2)c1 ZINC000225509866 557732368 /nfs/dbraw/zinc/73/23/68/557732368.db2.gz ZZPBBOGTQSGTDK-ZRZAMGCNSA-N 1 0 434.624 5.802 40 0 IKABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225516519 557733962 /nfs/dbraw/zinc/73/39/62/557733962.db2.gz AMSIGEYRXNBIMC-NRFANRHFSA-N 1 0 438.587 5.777 40 0 IKABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520856 557734895 /nfs/dbraw/zinc/73/48/95/557734895.db2.gz UOQBYQLTEMLLMZ-OAQYLSRUSA-N 1 0 438.587 5.920 40 0 IKABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225523167 557735365 /nfs/dbraw/zinc/73/53/65/557735365.db2.gz JXMHHAGBINIOIP-FQEVSTJZSA-N 1 0 441.015 6.044 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCC2)cc1 ZINC000225531535 557737541 /nfs/dbraw/zinc/73/75/41/557737541.db2.gz SRIBYIIIOFIOIG-OAQYLSRUSA-N 1 0 436.596 5.256 40 0 IKABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534776 557738022 /nfs/dbraw/zinc/73/80/22/557738022.db2.gz KZJKQDXMKNKKTR-HSZRJFAPSA-N 1 0 434.624 6.171 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)c1 ZINC000225539797 557738850 /nfs/dbraw/zinc/73/88/50/557738850.db2.gz AHYFOYBNDOKCNK-HSZRJFAPSA-N 1 0 434.624 5.946 40 0 IKABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 ZINC000225545167 557739617 /nfs/dbraw/zinc/73/96/17/557739617.db2.gz VRGJERFLODJTND-NRFANRHFSA-N 1 0 438.587 5.920 40 0 IKABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)CC1 ZINC000225545003 557739666 /nfs/dbraw/zinc/73/96/66/557739666.db2.gz FTBYCBKOGKFSQU-UHFFFAOYSA-N 1 0 438.587 5.777 40 0 IKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000225580106 557746363 /nfs/dbraw/zinc/74/63/63/557746363.db2.gz QZMCENMQQGUGLA-UHFFFAOYSA-N 1 0 445.003 5.138 40 0 IKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225615424 557752591 /nfs/dbraw/zinc/75/25/91/557752591.db2.gz GCELHTOWCJFGJW-SZPZYZBQSA-N 1 0 432.649 5.459 40 0 IKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225615901 557752815 /nfs/dbraw/zinc/75/28/15/557752815.db2.gz PDAAIXUZXUDMMH-UHFFFAOYSA-N 1 0 432.649 5.747 40 0 IKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225651986 557757043 /nfs/dbraw/zinc/75/70/43/557757043.db2.gz GAMGZEYZJKKICL-AREMUKBSSA-N 1 0 432.649 5.892 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCCC1 ZINC000225659491 557758271 /nfs/dbraw/zinc/75/82/71/557758271.db2.gz NBGGAMZPVMUGDJ-SZPZYZBQSA-N 1 0 430.633 5.501 40 0 IKABRO 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 557759009 /nfs/dbraw/zinc/75/90/09/557759009.db2.gz VOAURTKTVRYFMO-CQAGSAPUSA-N 1 0 430.633 5.357 40 0 IKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225664266 557759094 /nfs/dbraw/zinc/75/90/94/557759094.db2.gz NINRTMZXLKOOEL-DRLORSAXSA-N 1 0 430.633 5.501 40 0 IKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225664453 557759133 /nfs/dbraw/zinc/75/91/33/557759133.db2.gz JRHCBICLQWPNQT-NVQXNPDNSA-N 1 0 430.633 5.646 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225664484 557759142 /nfs/dbraw/zinc/75/91/42/557759142.db2.gz JRHCBICLQWPNQT-BKMJKUGQSA-N 1 0 430.633 5.646 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225668851 557760154 /nfs/dbraw/zinc/76/01/54/557760154.db2.gz OWQHHEIRQBTDMK-UBFBPUDLSA-N 1 0 430.633 5.357 40 0 IKABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 ZINC000225728514 557769735 /nfs/dbraw/zinc/76/97/35/557769735.db2.gz RIBFBARKFQIBKY-PMACEKPBSA-N 1 0 427.683 5.633 40 0 IKABRO FC(F)(F)c1cc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000225742953 557771702 /nfs/dbraw/zinc/77/17/02/557771702.db2.gz AJJPLSVARKDTGI-UHFFFAOYSA-N 1 0 427.923 5.094 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225749970 557772642 /nfs/dbraw/zinc/77/26/42/557772642.db2.gz DNRPOXFTSCKQJT-VRUMLPLGSA-N 1 0 432.649 5.747 40 0 IKABRO Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)s2)cc1 ZINC000225848506 557784907 /nfs/dbraw/zinc/78/49/07/557784907.db2.gz KQLBVLXJAKMOKJ-GOSISDBHSA-N 1 0 426.973 5.018 40 0 IKABRO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903918 557790029 /nfs/dbraw/zinc/79/00/29/557790029.db2.gz XQWZMEHORIKUKF-DOTOQJQBSA-N 1 0 447.804 5.292 40 0 IKABRO CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000059108653 557820191 /nfs/dbraw/zinc/82/01/91/557820191.db2.gz XEEPLXOXLVXDLZ-LICLKQGHSA-N 1 0 439.603 5.784 40 0 IKABRO CC(C)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000059108646 557820257 /nfs/dbraw/zinc/82/02/57/557820257.db2.gz ICULQNGAADHXFB-UHFFFAOYSA-N 1 0 429.564 5.048 40 0 IKABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C ZINC000030883435 560089651 /nfs/dbraw/zinc/08/96/51/560089651.db2.gz MOTQPSBDUFMLTB-QXUYBEEESA-N 1 0 441.591 5.384 40 0 biogenic,in-vitro IKABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(/C=C/c5ccc(Cl)cc5)ccc43)C2)cc1 ZINC000004237343 560197774 /nfs/dbraw/zinc/19/77/74/560197774.db2.gz FRQDQLLIVUGFFV-SWMXQXAPSA-N 1 0 446.978 5.300 40 0 biogenic,in-vitro IKABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)Nc3ccccc3)no2)cc1 ZINC000015673704 560230739 /nfs/dbraw/zinc/23/07/39/560230739.db2.gz IZZLBQQYJMBRHV-SFTDATJTSA-N 1 0 431.580 5.436 40 0 biogenic,in-vitro IKABRO O=C([C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCC(Cc2ccccc2)CC1 ZINC000006529396 568792054 /nfs/dbraw/zinc/79/20/54/568792054.db2.gz QZJSKHDTZVSGTB-HHHXNRCGSA-N 1 0 426.604 5.533 40 0 IKABRO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100388 568872704 /nfs/dbraw/zinc/87/27/04/568872704.db2.gz LETASVTYCGFFBU-MUUNZHRXSA-N 1 0 447.598 5.677 40 0 IKABRO O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100322 568872794 /nfs/dbraw/zinc/87/27/94/568872794.db2.gz CHRJFGUBEFMANW-DEOSSOPVSA-N 1 0 448.941 5.044 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000585166471 568872860 /nfs/dbraw/zinc/87/28/60/568872860.db2.gz SBQWOJYKUZYIFR-UHFFFAOYSA-N 1 0 427.592 5.098 40 0 IKABRO CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000585166194 568873002 /nfs/dbraw/zinc/87/30/02/568873002.db2.gz WQHSZDUFCXFXHG-UHFFFAOYSA-N 1 0 441.619 5.326 40 0 IKABRO COCCCN1C(=O)C[C@H](c2ccc(Cl)cc2)[C@@H]2[C@H]1CCC[C@@H]2[NH2+]Cc1ccccc1 ZINC000585261861 568873651 /nfs/dbraw/zinc/87/36/51/568873651.db2.gz ZOFWBPQWCPFYBD-TWZJLLKVSA-N 1 0 441.015 5.020 40 0 IKABRO CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000585292967 568874661 /nfs/dbraw/zinc/87/46/61/568874661.db2.gz UWCNLGHLCOTARV-HRNNMHKYSA-N 1 0 428.016 6.332 40 0 IKABRO CCc1cc([C@@H](c2cccc(OC)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001235990 568885890 /nfs/dbraw/zinc/88/58/90/568885890.db2.gz KJZITLVURIBBHV-RUZDIDTESA-N 1 0 448.632 6.393 40 0 IKABRO CCc1cc([C@H](c2ccc(OC)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298678 568897477 /nfs/dbraw/zinc/89/74/77/568897477.db2.gz YHWWVGYVURCUCQ-VWLOTQADSA-N 1 0 448.632 6.393 40 0 IKABRO C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000057776475 568909456 /nfs/dbraw/zinc/90/94/56/568909456.db2.gz ABOFZOZJXCFLQQ-ZBLYBZFDSA-N 1 0 428.551 5.576 40 0 IKABRO CCc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551841 569098057 /nfs/dbraw/zinc/09/80/57/569098057.db2.gz SEAZZFYKGISAHD-XMMPIXPASA-N 1 0 436.596 6.523 40 0 IKABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)c1 ZINC000009063030 569219812 /nfs/dbraw/zinc/21/98/12/569219812.db2.gz FELXNAOVPRJEFJ-UHFFFAOYSA-N 1 0 435.008 5.049 40 0 IKABRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063446 569219981 /nfs/dbraw/zinc/21/99/81/569219981.db2.gz KPCQHKNHODGZPR-UHFFFAOYSA-N 1 0 431.285 5.863 40 0 IKABRO O=C(NCCSCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063390 569220012 /nfs/dbraw/zinc/22/00/12/569220012.db2.gz HIWIVNKSFBLDBY-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019235946 569226129 /nfs/dbraw/zinc/22/61/29/569226129.db2.gz YPMYTOKLIJGYTK-ATIYNZHBSA-N 1 0 435.612 5.048 40 0 IKABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019702532 569232037 /nfs/dbraw/zinc/23/20/37/569232037.db2.gz HGIYYGSAMWNDFF-LJQANCHMSA-N 1 0 449.620 5.309 40 0 IKABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3ccc(Cn4ccnc4C)cc3)cc2)C1 ZINC000019711838 569235043 /nfs/dbraw/zinc/23/50/43/569235043.db2.gz YAXSEKKLADYBMW-FTJBHMTQSA-N 1 0 446.595 5.054 40 0 IKABRO Cc1nc([C@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1CCOc1ccccc1Cl ZINC000019738746 569235918 /nfs/dbraw/zinc/23/59/18/569235918.db2.gz CVZOKVPATBZNFZ-QHCPKHFHSA-N 1 0 437.049 5.446 40 0 IKABRO O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020241768 569241164 /nfs/dbraw/zinc/24/11/64/569241164.db2.gz RORTYCRUZXGPNO-UHFFFAOYSA-N 1 0 440.374 5.568 40 0 IKABRO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855177 569249234 /nfs/dbraw/zinc/24/92/34/569249234.db2.gz QBBDWPFHEWIHBM-SIKLNZKXSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044855327 569249329 /nfs/dbraw/zinc/24/93/29/569249329.db2.gz OAAGBHZUELTVFN-UGKGYDQZSA-N 1 0 426.988 5.279 40 0 IKABRO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1cccs1)[N@@H+]2Cc1ccccc1 ZINC000245227913 569269465 /nfs/dbraw/zinc/26/94/65/569269465.db2.gz YMAUOWKZFNZVSE-NCAYHCJHSA-N 1 0 433.573 5.503 40 0 IKABRO c1coc([C@H]2[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)C23c2ccccc2-c2ccccc23)c1 ZINC000253588454 569273218 /nfs/dbraw/zinc/27/32/18/569273218.db2.gz DDHXGJCURYWKBG-RWSKJCERSA-N 1 0 439.558 7.416 40 0 IKABRO CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21 ZINC000257199326 569275426 /nfs/dbraw/zinc/27/54/26/569275426.db2.gz ZSAFBTBLHQRTRB-LPOSOKHSSA-N 1 0 445.651 5.576 40 0 IKABRO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198819 569275506 /nfs/dbraw/zinc/27/55/06/569275506.db2.gz JBYMGGHUFOKKPL-GSPCLOLRSA-N 1 0 433.621 5.154 40 0 IKABRO Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NC(C)C)CC1 ZINC000257205278 569275675 /nfs/dbraw/zinc/27/56/75/569275675.db2.gz AYIOURALQYPPBX-WGSAOQKQSA-N 1 0 438.641 5.145 40 0 IKABRO CCOc1cc2c(cc1C[NH+]1CCC(c3ccc(Cc4ccccc4)cn3)CC1)O[C@@H](C)C2 ZINC000257204428 569275682 /nfs/dbraw/zinc/27/56/82/569275682.db2.gz AUOXKCRFFCEVGB-NRFANRHFSA-N 1 0 442.603 5.774 40 0 IKABRO Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)sc1C ZINC000257209754 569275893 /nfs/dbraw/zinc/27/58/93/569275893.db2.gz BRSWJWHSCHTBDB-QGZVFWFLSA-N 1 0 446.580 5.021 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000257222477 569276326 /nfs/dbraw/zinc/27/63/26/569276326.db2.gz DTLOZEYPHZNBIU-OAQYLSRUSA-N 1 0 428.502 5.287 40 0 IKABRO Cc1cccc(Cc2cncc([C@@H]3CCC[N@@H+]3Cc3cccc(OC[C@@H]4CCCO4)c3)n2)c1 ZINC000257232875 569276569 /nfs/dbraw/zinc/27/65/69/569276569.db2.gz GMUOGKSIRYFORM-XCZPVHLTSA-N 1 0 443.591 5.271 40 0 IKABRO CCn1cc(C[NH+]2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c(C)n1 ZINC000257233763 569276644 /nfs/dbraw/zinc/27/66/44/569276644.db2.gz GQQAVBRGANLFRF-UHFFFAOYSA-N 1 0 442.529 5.596 40 0 IKABRO Cc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257239100 569276753 /nfs/dbraw/zinc/27/67/53/569276753.db2.gz HNYQILNPUXDJEL-RBJSKKJNSA-N 1 0 446.541 5.579 40 0 IKABRO CC(C)Oc1ccc([C@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257236168 569276794 /nfs/dbraw/zinc/27/67/94/569276794.db2.gz HBAZJNYVAFXWEX-ZONZVBGPSA-N 1 0 446.635 5.280 40 0 IKABRO CCc1cc(CNC(=O)c2sc3ccccc3c2[C@H]2CC[C@H](C[NH+](C)C)CC2)on1 ZINC000257237794 569276812 /nfs/dbraw/zinc/27/68/12/569276812.db2.gz HIFHMUNLLDVJCJ-QAQDUYKDSA-N 1 0 425.598 5.217 40 0 IKABRO Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)n3)cc(C)n2)C1 ZINC000257242907 569276915 /nfs/dbraw/zinc/27/69/15/569276915.db2.gz IERHTSVFGPLVSF-HSZRJFAPSA-N 1 0 442.519 5.105 40 0 IKABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)[nH+]1 ZINC000257247434 569277022 /nfs/dbraw/zinc/27/70/22/569277022.db2.gz IYZYENWMCNWRGE-KRWDZBQOSA-N 1 0 446.526 5.011 40 0 IKABRO C[C@@H](CC[NH+]1CCC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)CC1)c1ccccc1 ZINC000257257937 569277306 /nfs/dbraw/zinc/27/73/06/569277306.db2.gz KRRVGDGKIWCGOK-QFIPXVFZSA-N 1 0 427.592 5.052 40 0 IKABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cc2cccc(F)c2[nH]1 ZINC000257267562 569277517 /nfs/dbraw/zinc/27/75/17/569277517.db2.gz MHVMWTSEUINLJK-VPAAKTDSSA-N 1 0 431.555 5.054 40 0 IKABRO Cc1ccc(C[C@H]2CC[C@@H]3C[N@H+](CC(=O)N(c4ccccc4)c4ccccc4)C[C@H]23)nc1 ZINC000257273201 569277715 /nfs/dbraw/zinc/27/77/15/569277715.db2.gz NFQOYWBYIGALFD-AZSVPQILSA-N 1 0 425.576 5.255 40 0 IKABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 ZINC000257270640 569277733 /nfs/dbraw/zinc/27/77/33/569277733.db2.gz MVBCBNDQSMJMHP-OAQYLSRUSA-N 1 0 438.531 5.320 40 0 IKABRO CC(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257282693 569277932 /nfs/dbraw/zinc/27/79/32/569277932.db2.gz OUVMWSQKYRUXQB-PGRDOPGGSA-N 1 0 434.411 5.647 40 0 IKABRO CC1(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)CC[NH+](C2CCCC2)CC1 ZINC000257289430 569278110 /nfs/dbraw/zinc/27/81/10/569278110.db2.gz PYNXGPKMZSITOQ-OAQYLSRUSA-N 1 0 448.611 5.020 40 0 IKABRO Cc1nc2cc(C(=O)N3CC[C@@H](c4cc(Nc5cccc(F)c5)cc(C)[nH+]4)C3)ccc2n1C ZINC000257291570 569278199 /nfs/dbraw/zinc/27/81/99/569278199.db2.gz QHOOHVGDGVJMNN-LJQANCHMSA-N 1 0 443.526 5.098 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)c2cc(OC)ccc21 ZINC000257290413 569278227 /nfs/dbraw/zinc/27/82/27/569278227.db2.gz QCVQANAKEHEMQS-XMMPIXPASA-N 1 0 442.567 5.244 40 0 IKABRO Cc1csc(Nc2cncc(C3CC[NH+](Cc4ccc5c(c4)CC(C)(C)O5)CC3)n2)n1 ZINC000257297896 569278334 /nfs/dbraw/zinc/27/83/34/569278334.db2.gz RJGSHEBUXUYFGF-UHFFFAOYSA-N 1 0 435.597 5.078 40 0 IKABRO COc1ccc(CC(=O)N2CC[C@@H](c3cc(Nc4ccc(C)cc4)cc(C)[nH+]3)C2)cc1OC ZINC000257295993 569278352 /nfs/dbraw/zinc/27/83/52/569278352.db2.gz RATRQUWGMUXJJJ-OAQYLSRUSA-N 1 0 445.563 5.018 40 0 IKABRO COc1cccc2c1OC1(CC[NH+](Cc3ccnc4ccccc34)CC1)[C@H]1CCCO[C@H]21 ZINC000257295783 569278365 /nfs/dbraw/zinc/27/83/65/569278365.db2.gz QZVTXJDQTUGTDB-WIOPSUGQSA-N 1 0 430.548 5.138 40 0 IKABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000257302600 569278470 /nfs/dbraw/zinc/27/84/70/569278470.db2.gz SDNHKICSOYRTDN-XTEPFMGCSA-N 1 0 446.541 5.660 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000257302162 569278506 /nfs/dbraw/zinc/27/85/06/569278506.db2.gz SBTJZDXBGIJWTH-LJQANCHMSA-N 1 0 438.641 5.423 40 0 IKABRO O=C(c1ccccc1C[NH+]1CCCCC1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000257300324 569278554 /nfs/dbraw/zinc/27/85/54/569278554.db2.gz RTVIQVRDUKRGCL-RUZDIDTESA-N 1 0 426.564 5.107 40 0 IKABRO COc1cccc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)c1OC ZINC000257304479 569278620 /nfs/dbraw/zinc/27/86/20/569278620.db2.gz SLWPIWRKDYQKLR-KRWDZBQOSA-N 1 0 438.593 5.046 40 0 IKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)[NH2+][C@H]2c2cccc(F)c2)n1 ZINC000257307109 569278666 /nfs/dbraw/zinc/27/86/66/569278666.db2.gz SXGWCQJXZLSRJZ-HJNYFJLDSA-N 1 0 440.950 5.256 40 0 IKABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2c2ccccc2F)N1 ZINC000257309839 569278887 /nfs/dbraw/zinc/27/88/87/569278887.db2.gz UCPCWIMPAOLJIK-LBNVMWSVSA-N 1 0 426.535 5.035 40 0 IKABRO CCOc1ccc(C[NH+]2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)cc1CO ZINC000257308091 569278890 /nfs/dbraw/zinc/27/88/90/569278890.db2.gz TVIZWZQOYWBGCR-UHFFFAOYSA-N 1 0 434.555 5.082 40 0 IKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2cccc(F)c2)[C@@H]1O ZINC000257315187 569278972 /nfs/dbraw/zinc/27/89/72/569278972.db2.gz VAHQFSYWXFLODZ-QIGHUWCUSA-N 1 0 439.502 5.550 40 0 IKABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4ccc(Cc5cccc(F)c5)cn4)C3)ccc2O1 ZINC000257318818 569279138 /nfs/dbraw/zinc/27/91/38/569279138.db2.gz VPNBAEKUHTZFPY-HSZRJFAPSA-N 1 0 430.567 5.905 40 0 IKABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000257323947 569279211 /nfs/dbraw/zinc/27/92/11/569279211.db2.gz WMNVHPLBAPYRQN-JOCHJYFZSA-N 1 0 446.570 5.102 40 0 IKABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C1)CCC2 ZINC000257324346 569279249 /nfs/dbraw/zinc/27/92/49/569279249.db2.gz WOFYRNRKKXIDJO-DEOSSOPVSA-N 1 0 430.567 5.688 40 0 IKABRO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257323710 569279260 /nfs/dbraw/zinc/27/92/60/569279260.db2.gz WLOJFWFQQAKDNT-INIZCTEOSA-N 1 0 435.568 5.223 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c(C)n1 ZINC000257324004 569279312 /nfs/dbraw/zinc/27/93/12/569279312.db2.gz WMTSZFUIGKJVSD-OAQYLSRUSA-N 1 0 442.529 5.596 40 0 IKABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)cc1 ZINC000257327464 569279448 /nfs/dbraw/zinc/27/94/48/569279448.db2.gz XBLLARWDERKNQG-HXUWFJFHSA-N 1 0 446.526 5.251 40 0 IKABRO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000257332744 569279528 /nfs/dbraw/zinc/27/95/28/569279528.db2.gz XYMLOJHRWYZXQU-FQEVSTJZSA-N 1 0 429.589 5.577 40 0 IKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccc(Cl)cc2)[C@@H]1O ZINC000257330794 569279537 /nfs/dbraw/zinc/27/95/37/569279537.db2.gz XQBIYUOJRXUXMB-DNRSQYFGSA-N 1 0 437.967 5.925 40 0 IKABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C1)CCC2 ZINC000257332305 569279579 /nfs/dbraw/zinc/27/95/79/569279579.db2.gz XWRUPDSOYWJZHA-XMMPIXPASA-N 1 0 447.022 6.203 40 0 IKABRO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)C(C)(C)c3ccccc3F)C2)[nH+]1 ZINC000257338381 569279699 /nfs/dbraw/zinc/27/96/99/569279699.db2.gz YXCKWKWBRJWBJI-QGZVFWFLSA-N 1 0 436.506 5.101 40 0 IKABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000257339226 569279709 /nfs/dbraw/zinc/27/97/09/569279709.db2.gz ZAUHRCYZGPMROK-HHHXNRCGSA-N 1 0 440.566 5.763 40 0 IKABRO Cc1ccc(Oc2ccc(F)cc2O[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccc3)[C@H]2O)cc1 ZINC000257344382 569279922 /nfs/dbraw/zinc/27/99/22/569279922.db2.gz ZWZDZNUSUPIYFF-DFZDUAMZSA-N 1 0 435.539 5.719 40 0 IKABRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000257343855 569279926 /nfs/dbraw/zinc/27/99/26/569279926.db2.gz ZURGCJOBWCJDOJ-MHZLTWQESA-N 1 0 441.619 5.289 40 0 IKABRO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257344541 569279965 /nfs/dbraw/zinc/27/99/65/569279965.db2.gz ZXSOYQJKBVJANC-NRFANRHFSA-N 1 0 431.530 6.120 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@H](C)C4)cc3)CCCCC2)c1 ZINC000260812313 569281753 /nfs/dbraw/zinc/28/17/53/569281753.db2.gz AHYFOYBNDOKCNK-QHCPKHFHSA-N 1 0 434.624 5.946 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@H](C)C4)cc3)CCCC2)cc1 ZINC000260812563 569281814 /nfs/dbraw/zinc/28/18/14/569281814.db2.gz GPLZMDPCBLORQB-QHCPKHFHSA-N 1 0 434.624 5.946 40 0 IKABRO 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 569281830 /nfs/dbraw/zinc/28/18/30/569281830.db2.gz VOAURTKTVRYFMO-BTKWVRSESA-N 1 0 430.633 5.357 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@H]4C)cc3)CCCC2)cc1 ZINC000260814487 569281836 /nfs/dbraw/zinc/28/18/36/569281836.db2.gz JLEYBZUFSTXSKC-HSZRJFAPSA-N 1 0 434.624 6.089 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260817042 569281864 /nfs/dbraw/zinc/28/18/64/569281864.db2.gz VOAURTKTVRYFMO-AVJFOWIRSA-N 1 0 430.633 5.357 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@H]4C)cc3)CCCCC2)c1 ZINC000260814780 569281887 /nfs/dbraw/zinc/28/18/87/569281887.db2.gz NOMRMDVPMKGMCB-HSZRJFAPSA-N 1 0 434.624 6.089 40 0 IKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818188 569281901 /nfs/dbraw/zinc/28/19/01/569281901.db2.gz WWZWIXVLJVGFMS-QFIPXVFZSA-N 1 0 432.649 5.603 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260816740 569281915 /nfs/dbraw/zinc/28/19/15/569281915.db2.gz PKRHICKNWVQMJP-HCYSDIRSSA-N 1 0 430.633 5.501 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@H]4C)cc3)CCCCC2)cc1 ZINC000260818213 569281921 /nfs/dbraw/zinc/28/19/21/569281921.db2.gz XVGMRQYFNWAWAI-XMMPIXPASA-N 1 0 448.651 6.479 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000260945429 569282056 /nfs/dbraw/zinc/28/20/56/569282056.db2.gz VAHQGKNMOUPOEW-FPOVZHCZSA-N 1 0 426.576 5.356 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000260945428 569282088 /nfs/dbraw/zinc/28/20/88/569282088.db2.gz VAHQGKNMOUPOEW-CTNGQTDRSA-N 1 0 426.576 5.356 40 0 IKABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328973191 569285119 /nfs/dbraw/zinc/28/51/19/569285119.db2.gz FAKHKYDHOIMZTG-UHFFFAOYSA-N 1 0 442.485 5.673 40 0 IKABRO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329023883 569285442 /nfs/dbraw/zinc/28/54/42/569285442.db2.gz OVUHOOULGBAMKM-UHFFFAOYSA-N 1 0 434.506 5.806 40 0 IKABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329039645 569285529 /nfs/dbraw/zinc/28/55/29/569285529.db2.gz RYBQKAOORXXRAK-UHFFFAOYSA-N 1 0 437.385 5.537 40 0 IKABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)c1 ZINC000019689519 569326457 /nfs/dbraw/zinc/32/64/57/569326457.db2.gz GNGMYYMCVGYKLI-VWLOTQADSA-N 1 0 439.563 5.104 40 0 IKABRO C[C@H](C[NH+]1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1)c1ccccc1 ZINC000019700180 569327136 /nfs/dbraw/zinc/32/71/36/569327136.db2.gz QCFZTLRUEGWSHE-HSZRJFAPSA-N 1 0 441.619 5.265 40 0 IKABRO C[C@H](NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2[nH]1 ZINC000019748828 569328375 /nfs/dbraw/zinc/32/83/75/569328375.db2.gz PWABXRFDUAJKDB-INIZCTEOSA-N 1 0 444.501 5.061 40 0 IKABRO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329019826 569583425 /nfs/dbraw/zinc/58/34/25/569583425.db2.gz NYGIQCJJDJCWJF-UHFFFAOYSA-N 1 0 442.485 5.673 40 0 IKABRO CC(C)c1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635839 291397322 /nfs/dbraw/zinc/39/73/22/291397322.db2.gz RWSPTEVKEIYVGP-NNWRFLSQSA-N 1 0 448.567 5.230 40 0 biogenic,in-vitro IKABRO COc1ccccc1C[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cccnc3)o2)C[C@H]1C(C)C ZINC000030882899 291406830 /nfs/dbraw/zinc/40/68/30/291406830.db2.gz FBTLNUZJRAUXNC-HJOGWXRNSA-N 1 0 446.595 5.327 40 0 biogenic,in-vitro IKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022076287 518629159 /nfs/dbraw/zinc/62/91/59/518629159.db2.gz DCHMGEWRCWJSIC-UHFFFAOYSA-N 1 0 428.831 7.530 40 0 IKABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NC3CCCCC3)no2)cc1 ZINC000015673717 519008031 /nfs/dbraw/zinc/00/80/31/519008031.db2.gz FRFNJJFSBWWJFI-SFTDATJTSA-N 1 0 437.628 5.246 40 0 biogenic,in-vitro IKABRO CC(=O)Nc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185748 519715502 /nfs/dbraw/zinc/71/55/02/519715502.db2.gz RGGKQYBOIJADEI-QFIPXVFZSA-N 1 0 433.508 5.146 40 0 IKABRO CCOCCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000016687985 519897723 /nfs/dbraw/zinc/89/77/23/519897723.db2.gz BSTVZEFSNJTOIT-UHFFFAOYSA-N 1 0 440.353 5.082 40 0 IKABRO CC[NH+](CC)CCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022075493 520687750 /nfs/dbraw/zinc/68/77/50/520687750.db2.gz GZOUDUVEKLWLQP-UHFFFAOYSA-N 1 0 425.798 5.113 40 0 IKABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000022074066 520690986 /nfs/dbraw/zinc/69/09/86/520690986.db2.gz QAXNESSIBOMYMC-UHFFFAOYSA-N 1 0 426.782 5.970 40 0 IKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000022076254 520707385 /nfs/dbraw/zinc/70/73/85/520707385.db2.gz KNLFZDYGJNMHHM-UHFFFAOYSA-N 1 0 438.439 7.276 40 0 IKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCC(=O)NC(C)(C)C ZINC000022074216 520708895 /nfs/dbraw/zinc/70/88/95/520708895.db2.gz WNYNODWPNBTEEB-WXIHSGNDSA-N 1 0 442.644 5.217 40 0 IKABRO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000016688651 520710532 /nfs/dbraw/zinc/71/05/32/520710532.db2.gz VELDIWVCSQJSCI-UHFFFAOYSA-N 1 0 426.782 5.826 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000022076700 520721212 /nfs/dbraw/zinc/72/12/12/520721212.db2.gz FSUOCPKDTMRNSY-UHFFFAOYSA-N 1 0 440.381 6.025 40 0 IKABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022074189 520725636 /nfs/dbraw/zinc/72/56/36/520725636.db2.gz SRFXEIZCXBDFRC-KRWDZBQOSA-N 1 0 430.375 6.822 40 0 IKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NC(C)(C)C ZINC000022074211 520726009 /nfs/dbraw/zinc/72/60/09/520726009.db2.gz OPQSEMHRXASYDQ-DPDSROAVSA-N 1 0 442.644 5.073 40 0 IKABRO CC1=C[C@@H](C[N@H+](C)CCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442660 520882030 /nfs/dbraw/zinc/88/20/30/520882030.db2.gz ICFYQEPNJRKJPZ-LSQMVHIFSA-N 1 0 445.611 5.098 40 0 biogenic,in-vitro IKABRO CCOc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408711 521043075 /nfs/dbraw/zinc/04/30/75/521043075.db2.gz NPSFPWWRHFBOPV-MUUNZHRXSA-N 1 0 427.568 5.403 40 0 IKABRO CCOC(=O)c1cc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)ccc1Cl ZINC000022525684 521443500 /nfs/dbraw/zinc/44/35/00/521443500.db2.gz IRPVQYJMIJZJDF-UHFFFAOYSA-N 1 0 448.950 5.327 40 0 IKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCc1ccccc1 ZINC000022076245 522439348 /nfs/dbraw/zinc/43/93/48/522439348.db2.gz IATGURTUNTWJRC-UHFFFAOYSA-N 1 0 434.418 6.341 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000022076688 522464975 /nfs/dbraw/zinc/46/49/75/522464975.db2.gz RFKHNVIIUCZLON-UHFFFAOYSA-N 1 0 426.354 5.635 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000022076719 522465048 /nfs/dbraw/zinc/46/50/48/522465048.db2.gz SMGZBTXRBKGJLV-UHFFFAOYSA-N 1 0 444.344 5.774 40 0 IKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1 ZINC000022073669 522471138 /nfs/dbraw/zinc/47/11/38/522471138.db2.gz LTXJBFGWRXFRNH-DPDSROAVSA-N 1 0 440.027 6.622 40 0 IKABRO COc1ccc(CC[NH2+]Cc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000016216570 523973775 /nfs/dbraw/zinc/97/37/75/523973775.db2.gz OILFNYMXGNYKHC-UHFFFAOYSA-N 1 0 431.963 6.413 40 0 IKABRO COc1ccc(C[NH2+]Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 ZINC000022076789 524073000 /nfs/dbraw/zinc/07/30/00/524073000.db2.gz LSCXFTGQURGJGB-UHFFFAOYSA-N 1 0 432.347 5.879 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)C1 ZINC000020456845 524232863 /nfs/dbraw/zinc/23/28/63/524232863.db2.gz XWNPWGLDKMTZTE-OAQYLSRUSA-N 1 0 430.617 6.463 40 0 IKABRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000022580828 524751464 /nfs/dbraw/zinc/75/14/64/524751464.db2.gz TZTINWHNVDZMRN-YYXXCONNSA-N 1 0 434.627 6.522 40 0 IKABRO Cc1ccccc1C[NH+]1CCN(CCO[C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000022462882 525144464 /nfs/dbraw/zinc/14/44/64/525144464.db2.gz VEVSKUJZSMGTMM-HHHXNRCGSA-N 1 0 435.011 5.572 40 0 in-man IKABRO c1ccc(C(c2ccccc2)[NH+]2CCN(CCCC3(c4ccccc4)OCCO3)CC2)cc1 ZINC000022058279 526461102 /nfs/dbraw/zinc/46/11/02/526461102.db2.gz LRMJAFKKJLRDLE-UHFFFAOYSA-N 1 0 442.603 5.074 40 0 investigational IKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022073714 526951375 /nfs/dbraw/zinc/95/13/75/526951375.db2.gz VAKMIINHPWCRET-UHFFFAOYSA-N 1 0 432.007 7.131 40 0 IKABRO CCN1C=C/C(=C/c2cc3scc(-c4ccccc4)[n+]3c3ccccc23)c2ccccc21 ZINC000001653701 535438464 /nfs/dbraw/zinc/43/84/64/535438464.db2.gz ZESVCTUYPMCXDY-UHFFFAOYSA-N 1 0 431.584 7.201 40 0 IKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 ZINC000001595094 555705274 /nfs/dbraw/zinc/70/52/74/555705274.db2.gz HVWLSUOIMGPNOV-DEOSSOPVSA-N 1 0 445.434 7.144 40 0 IKABRO O[C@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccc(Br)cc1 ZINC000001615809 555706110 /nfs/dbraw/zinc/70/61/10/555706110.db2.gz OPABGNABBQROBW-SLXFGWRHSA-N 1 0 428.414 5.392 40 0 IKABRO CC[NH+](CC)c1ccc(N[C@@H](c2ccc(Cl)cc2)[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000001669482 555708880 /nfs/dbraw/zinc/70/88/80/555708880.db2.gz ZDSGIPWJEGRVHD-BJKOFHAPSA-N 1 0 429.391 6.726 40 0 IKABRO CC[NH+](CC)CCC[C@H](C)Nc1nc(-c2ccc(OC)cc2)nc2ccc(Cl)cc21 ZINC000001683245 555709214 /nfs/dbraw/zinc/70/92/14/555709214.db2.gz AHXYZXWIZPCASK-KRWDZBQOSA-N 1 0 426.992 5.881 40 0 IKABRO CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000408575835 555926422 /nfs/dbraw/zinc/92/64/22/555926422.db2.gz NTCNUDUFYMUZNN-UHFFFAOYSA-N 1 0 441.575 5.026 40 0 IKABRO CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC[NH2+]CCO)[C@@H]3CC[C@]12C ZINC000004743447 556009191 /nfs/dbraw/zinc/00/91/91/556009191.db2.gz GKXLUGLOAOBFQD-DTMVSHBFSA-N 1 0 433.721 6.239 40 0 IKABRO O=C(OC1(c2nccc3ccccc32)CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000004774465 556011264 /nfs/dbraw/zinc/01/12/64/556011264.db2.gz XJAPKZGXYLZNIK-UHFFFAOYSA-N 1 0 436.555 5.626 40 0 IKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccccc2)nc2c(O)cccc12 ZINC000004825116 556013781 /nfs/dbraw/zinc/01/37/81/556013781.db2.gz FDSCJBNNBOEULF-NDEPHWFRSA-N 1 0 448.651 7.103 40 0 IKABRO O[C@@H](C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)[NH+]1CCc1ccccc1)c1ccccc1 ZINC000005082654 556031631 /nfs/dbraw/zinc/03/16/31/556031631.db2.gz ZHOOOEZKEUBMPQ-DZUOILHNSA-N 1 0 429.604 5.700 40 0 IKABRO CCC[NH+](CCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 ZINC000008667812 556198252 /nfs/dbraw/zinc/19/82/52/556198252.db2.gz SSBVKHJVSWKOSS-HSZRJFAPSA-N 1 0 431.407 6.672 40 0 IKABRO O=C(Nc1ccc(Br)c(Cl)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039762016 556436620 /nfs/dbraw/zinc/43/66/20/556436620.db2.gz DIYDZPQLOLBCIU-UHFFFAOYSA-N 1 0 442.184 5.607 40 0 IKABRO O=C(Nc1ccc(Br)cc1F)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039765665 556436984 /nfs/dbraw/zinc/43/69/84/556436984.db2.gz ZLMZLFOEUQQSRN-UHFFFAOYSA-N 1 0 425.729 5.092 40 0 IKABRO O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039768144 556437441 /nfs/dbraw/zinc/43/74/41/556437441.db2.gz WLPBKQBKCUJZFU-UHFFFAOYSA-N 1 0 437.008 6.342 40 0 IKABRO O=C(Nc1ccc(Br)c(Cl)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039743129 556438143 /nfs/dbraw/zinc/43/81/43/556438143.db2.gz WUKVQWGEUNDIEY-UHFFFAOYSA-N 1 0 425.729 5.092 40 0 IKABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1 ZINC000039750029 556438415 /nfs/dbraw/zinc/43/84/15/556438415.db2.gz SSBKBLQOLZXKNP-UHFFFAOYSA-N 1 0 446.566 5.242 40 0 IKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039753065 556438657 /nfs/dbraw/zinc/43/86/57/556438657.db2.gz ITARPBDWAZCUHE-UHFFFAOYSA-N 1 0 430.617 6.138 40 0 IKABRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(OCC(C)C)cc2)on1)c1ccc(C)cc1 ZINC000028296135 556451348 /nfs/dbraw/zinc/45/13/48/556451348.db2.gz FYIFMZVSLNJTAL-VWLOTQADSA-N 1 0 449.595 5.498 40 0 IKABRO C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000029590277 556478303 /nfs/dbraw/zinc/47/83/03/556478303.db2.gz ACKAQJBYLPLIOW-JOCHJYFZSA-N 1 0 447.003 6.579 40 0 in-vitro IKABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)CC1 ZINC000030867943 556512831 /nfs/dbraw/zinc/51/28/31/556512831.db2.gz IZGHCLAYVBEGSH-UHFFFAOYSA-N 1 0 446.566 5.567 40 0 IKABRO O=C(Nc1ccc(Br)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030938509 556515548 /nfs/dbraw/zinc/51/55/48/556515548.db2.gz FOIGEMQGQLXXIU-CQSZACIVSA-N 1 0 425.729 5.092 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)C1 ZINC000030943268 556516588 /nfs/dbraw/zinc/51/65/88/556516588.db2.gz DHRQCJCDPXVPDT-IBGZPJMESA-N 1 0 446.978 6.055 40 0 IKABRO O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030947094 556517248 /nfs/dbraw/zinc/51/72/48/556517248.db2.gz SNAPEWRCURDKFV-OBGYJAQLSA-N 1 0 446.610 6.144 40 0 IKABRO CC1=C(c2ccccc2)[C@H](c2ccccc2)C(/C=C\c2ccccc2)=[NH+]C=C1c1ccccc1 ZINC000031740083 556525751 /nfs/dbraw/zinc/52/57/51/556525751.db2.gz WNVFKEPKFBWOQI-GMSWVHROSA-N 1 0 437.586 8.453 40 0 IKABRO CC1=C(c2ccccc2)[C@@H](c2ccccc2)C(/C=C/c2ccccc2)=[NH+]C=C1c1ccccc1 ZINC000031740078 556525785 /nfs/dbraw/zinc/52/57/85/556525785.db2.gz WNVFKEPKFBWOQI-ZNJGXVOXSA-N 1 0 437.586 8.453 40 0 IKABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000033541892 556565582 /nfs/dbraw/zinc/56/55/82/556565582.db2.gz XLWFWQMRMCBPCK-DEOSSOPVSA-N 1 0 443.031 5.258 40 0 IKABRO 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 556567310 /nfs/dbraw/zinc/56/73/10/556567310.db2.gz HTSQOTRABQZKFA-XWDORNJCSA-N 1 0 435.559 5.297 40 0 IKABRO C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016189386 556588445 /nfs/dbraw/zinc/58/84/45/556588445.db2.gz ZEVWYNUAKBSKKQ-UHFFFAOYSA-N 1 0 432.189 5.034 40 0 IKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195491 556589855 /nfs/dbraw/zinc/58/98/55/556589855.db2.gz OBQJXDSLKOEHNQ-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195659 556590072 /nfs/dbraw/zinc/59/00/72/556590072.db2.gz HLIIPDJCLNHBJO-UHFFFAOYSA-N 1 0 442.795 6.586 40 0 IKABRO COc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195545 556590113 /nfs/dbraw/zinc/59/01/13/556590113.db2.gz DXVNZOFVJGLRMB-UHFFFAOYSA-N 1 0 436.346 5.527 40 0 IKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195819 556590143 /nfs/dbraw/zinc/59/01/43/556590143.db2.gz OESUMBLECMGHDL-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195807 556590166 /nfs/dbraw/zinc/59/01/66/556590166.db2.gz VGTHBOHCSMOTSO-OAQYLSRUSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OCc1ccccc1F ZINC000016195878 556590400 /nfs/dbraw/zinc/59/04/00/556590400.db2.gz VHXCUEKEOSCIDR-UHFFFAOYSA-N 1 0 436.346 5.527 40 0 IKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F ZINC000016195886 556590428 /nfs/dbraw/zinc/59/04/28/556590428.db2.gz MVXXMWUDBZLEPC-UHFFFAOYSA-N 1 0 438.930 5.880 40 0 IKABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196305 556590605 /nfs/dbraw/zinc/59/06/05/556590605.db2.gz BWNNKPIZXIHJEG-NRFANRHFSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1Cl ZINC000016214745 556591425 /nfs/dbraw/zinc/59/14/25/556591425.db2.gz UUPYGBJLUPPVLJ-UHFFFAOYSA-N 1 0 438.930 5.880 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214729 556591442 /nfs/dbraw/zinc/59/14/42/556591442.db2.gz BCESPTIXBCTHRR-UHFFFAOYSA-N 1 0 436.766 6.524 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000016216590 556591898 /nfs/dbraw/zinc/59/18/98/556591898.db2.gz QCSCVEJOGQYFKI-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000016216593 556591901 /nfs/dbraw/zinc/59/19/01/556591901.db2.gz XCJQQYUIVXQSRR-UHFFFAOYSA-N 1 0 429.919 5.408 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2F)cc1OC ZINC000016227424 556593085 /nfs/dbraw/zinc/59/30/85/556593085.db2.gz DKRLPBOUOULXPC-UHFFFAOYSA-N 1 0 429.919 5.408 40 0 IKABRO COc1ccc(CC[NH2+]Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1OC ZINC000016227372 556593136 /nfs/dbraw/zinc/59/31/36/556593136.db2.gz MYORPXFGLIRZMM-UHFFFAOYSA-N 1 0 445.534 5.907 40 0 IKABRO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228238 556593489 /nfs/dbraw/zinc/59/34/89/556593489.db2.gz DDSJKSACDUPIRZ-NRFANRHFSA-N 1 0 432.347 5.404 40 0 IKABRO Cc1ccc(S[C@]2(C[NH+]3CCCCC3)COc3ccc(Br)cc3C2=O)cc1 ZINC000016310908 556599675 /nfs/dbraw/zinc/59/96/75/556599675.db2.gz VHAFIUUCEBAGQT-JOCHJYFZSA-N 1 0 446.410 5.350 40 0 IKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@H]2CCCO2)c(Cl)c1 ZINC000016384991 556604253 /nfs/dbraw/zinc/60/42/53/556604253.db2.gz LWFLRASSQRNJQX-QGZVFWFLSA-N 1 0 445.184 5.604 40 0 IKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]CCc2ccccc2F)cc1 ZINC000016449523 556608947 /nfs/dbraw/zinc/60/89/47/556608947.db2.gz HXLQCFKKGUAOJW-UHFFFAOYSA-N 1 0 432.308 5.639 40 0 IKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCc2ccccc2)cc1 ZINC000016479317 556611247 /nfs/dbraw/zinc/61/12/47/556611247.db2.gz CGDDOGMMDNFKHQ-UHFFFAOYSA-N 1 0 430.773 6.014 40 0 IKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000016525924 556614429 /nfs/dbraw/zinc/61/44/29/556614429.db2.gz IEXNHGRZPZHGFZ-UHFFFAOYSA-N 1 0 440.974 6.886 40 0 IKABRO COc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OCc1ccc(Cl)cc1 ZINC000016606118 556617073 /nfs/dbraw/zinc/61/70/73/556617073.db2.gz LNLAVJWZNJEFJH-WXIHSGNDSA-N 1 0 440.027 6.766 40 0 IKABRO CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016610304 556617550 /nfs/dbraw/zinc/61/75/50/556617550.db2.gz CYZIRFUIKFZYNN-GFCCVEGCSA-N 1 0 447.200 6.232 40 0 IKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000038755903 556617790 /nfs/dbraw/zinc/61/77/90/556617790.db2.gz ACFNERWKAXEISO-UHFFFAOYSA-N 1 0 434.605 5.952 40 0 IKABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833084 556622015 /nfs/dbraw/zinc/62/20/15/556622015.db2.gz NZYWGAJSJHMIQY-RUZDIDTESA-N 1 0 432.995 5.781 40 0 IKABRO O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038837553 556623749 /nfs/dbraw/zinc/62/37/49/556623749.db2.gz NKRRUGZOWKZYTQ-LJQANCHMSA-N 1 0 437.436 5.255 40 0 IKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038851541 556625102 /nfs/dbraw/zinc/62/51/02/556625102.db2.gz SGEKAWDWAMZKHF-NRFANRHFSA-N 1 0 444.644 6.772 40 0 IKABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000016687993 556625646 /nfs/dbraw/zinc/62/56/46/556625646.db2.gz GVDZRYHYXNADJM-UHFFFAOYSA-N 1 0 446.802 6.141 40 0 IKABRO O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038854990 556625768 /nfs/dbraw/zinc/62/57/68/556625768.db2.gz ADEGREMQTKFBJY-UHFFFAOYSA-N 1 0 441.575 5.245 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688523 556626684 /nfs/dbraw/zinc/62/66/84/556626684.db2.gz UQKPFEDAQBJBJO-UHFFFAOYSA-N 1 0 443.902 5.475 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccccc1F ZINC000016688751 556626940 /nfs/dbraw/zinc/62/69/40/556626940.db2.gz JUSNLRXEVHKMAT-UHFFFAOYSA-N 1 0 431.910 5.928 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689145 556626996 /nfs/dbraw/zinc/62/69/96/556626996.db2.gz MXHKGVLNLFZCRF-UHFFFAOYSA-N 1 0 448.365 6.443 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1F ZINC000016688753 556627070 /nfs/dbraw/zinc/62/70/70/556627070.db2.gz JIAPHVHHNMOCNG-UHFFFAOYSA-N 1 0 443.902 5.475 40 0 IKABRO C[C@H]([C@@H](O)c1ccccc1)[NH+]1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016697371 556628836 /nfs/dbraw/zinc/62/88/36/556628836.db2.gz LFQIYONICSBQHG-AJTFRIOCSA-N 1 0 444.575 5.416 40 0 IKABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1ccc(-c2ccccc2)cc1)CCCC3 ZINC000040422632 556643748 /nfs/dbraw/zinc/64/37/48/556643748.db2.gz ZRWLPNPYQIGISH-DEOSSOPVSA-N 1 0 439.559 5.604 40 0 IKABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044851593 556670727 /nfs/dbraw/zinc/67/07/27/556670727.db2.gz IPICGXUJJYDMEX-UHFFFAOYSA-N 1 0 429.004 5.090 40 0 IKABRO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3cccc(Cl)c3)CC1)CC(C)(C)O2 ZINC000044855229 556671348 /nfs/dbraw/zinc/67/13/48/556671348.db2.gz QJUYQNNRSCOVMV-JOCHJYFZSA-N 1 0 426.988 5.279 40 0 IKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856873 556672682 /nfs/dbraw/zinc/67/26/82/556672682.db2.gz QWCIEWWEGQXBRL-VWLOTQADSA-N 1 0 444.575 5.143 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000044872742 556673301 /nfs/dbraw/zinc/67/33/01/556673301.db2.gz CHGHGRCHJMNNKM-UHFFFAOYSA-N 1 0 446.616 5.384 40 0 IKABRO CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044916038 556681220 /nfs/dbraw/zinc/68/12/20/556681220.db2.gz UCIRIDQWKSQHAG-QFIPXVFZSA-N 1 0 429.004 5.088 40 0 IKABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044937256 556682914 /nfs/dbraw/zinc/68/29/14/556682914.db2.gz IKZSOYVYYUCQHO-XMMPIXPASA-N 1 0 429.004 5.464 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000019081971 556696641 /nfs/dbraw/zinc/69/66/41/556696641.db2.gz QSUNDQZKZQFYRI-BKMJKUGQSA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000019081969 556696824 /nfs/dbraw/zinc/69/68/24/556696824.db2.gz QSUNDQZKZQFYRI-NVQXNPDNSA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019082051 556697081 /nfs/dbraw/zinc/69/70/81/556697081.db2.gz LNOTYRPWWXFJKM-SANMLTNESA-N 1 0 449.639 5.519 40 0 IKABRO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](CC4CC4)CC4CC4)C=C3C)[nH]c2n1 ZINC000072320790 556709507 /nfs/dbraw/zinc/70/95/07/556709507.db2.gz HIORVPJQTQTIFR-VABKMULXSA-N 1 0 436.644 5.486 40 0 biogenic,in-vitro IKABRO Cc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 ZINC000019219724 556714012 /nfs/dbraw/zinc/71/40/12/556714012.db2.gz ZWROJRGVUNUVNA-CLJLJLNGSA-N 1 0 442.559 5.014 40 0 IKABRO Cc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 ZINC000019219720 556714058 /nfs/dbraw/zinc/71/40/58/556714058.db2.gz ZWROJRGVUNUVNA-FTJBHMTQSA-N 1 0 442.559 5.014 40 0 IKABRO COc1c(C)cccc1C[NH+]1CCC([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019235929 556720455 /nfs/dbraw/zinc/72/04/55/556720455.db2.gz YMIGXUQRSPBLFJ-SANMLTNESA-N 1 0 435.612 5.048 40 0 IKABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019236814 556721400 /nfs/dbraw/zinc/72/14/00/556721400.db2.gz ADGJBNCZRZMHMZ-CJFMBICVSA-N 1 0 435.518 5.052 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000019294052 556733476 /nfs/dbraw/zinc/73/34/76/556733476.db2.gz GGTHTNFTQHJAJC-QHCPKHFHSA-N 1 0 433.531 5.127 40 0 IKABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000019294084 556733760 /nfs/dbraw/zinc/73/37/60/556733760.db2.gz XTZUSYHIEFYTNG-NRFANRHFSA-N 1 0 440.526 5.196 40 0 IKABRO 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 556736205 /nfs/dbraw/zinc/73/62/05/556736205.db2.gz ZBJYUIRAFQUXKQ-UBFVSLLYSA-N 1 0 436.813 8.317 40 0 IKABRO CSc1ccc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@H]3c2ccc(SC)cc2)cc1 ZINC000001061098 556750009 /nfs/dbraw/zinc/75/00/09/556750009.db2.gz QWWLGCRNAKLDCV-OTRAAIJSSA-N 1 0 432.618 5.911 40 0 IKABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019400551 556753163 /nfs/dbraw/zinc/75/31/63/556753163.db2.gz OPUAYHSYFGHNBL-CJFMBICVSA-N 1 0 427.539 5.010 40 0 IKABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402657 556754111 /nfs/dbraw/zinc/75/41/11/556754111.db2.gz NVEUZSABFSVOCN-SQHAQQRYSA-N 1 0 440.591 5.013 40 0 IKABRO CC(C)Oc1ccc(C[NH+]2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 ZINC000019450604 556761453 /nfs/dbraw/zinc/76/14/53/556761453.db2.gz SZNDIVOHKMRXMW-VWLOTQADSA-N 1 0 449.620 5.314 40 0 IKABRO CC(C)Oc1cccc(C[NH+]2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 ZINC000019450840 556761532 /nfs/dbraw/zinc/76/15/32/556761532.db2.gz QEBJBSLJEHZYCP-VWLOTQADSA-N 1 0 449.620 5.314 40 0 IKABRO Cc1ccc(COc2ccc([C@H]3C=C(c4ccc(Cl)cc4)[NH+]=C4N=CNN43)cc2)cc1 ZINC000409059951 556766200 /nfs/dbraw/zinc/76/62/00/556766200.db2.gz ZCEOIHBYPLFCJS-XMMPIXPASA-N 1 0 428.923 5.528 40 0 IKABRO CC1(C)CC(N(Cc2cccnc2)Cc2ccccc2OCc2ccccn2)CC(C)(C)[NH2+]1 ZINC000019461033 556767498 /nfs/dbraw/zinc/76/74/98/556767498.db2.gz YLETUWOSZWQSEJ-UHFFFAOYSA-N 1 0 444.623 5.367 40 0 IKABRO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000019522098 556779487 /nfs/dbraw/zinc/77/94/87/556779487.db2.gz OTEARTBTHIEKAJ-UHFFFAOYSA-N 1 0 449.473 5.201 40 0 IKABRO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@@H+]2Cc2ccc(OC)c(OCC)c2)n1 ZINC000019525606 556783328 /nfs/dbraw/zinc/78/33/28/556783328.db2.gz WJJMZPKOWPTDOX-QHCPKHFHSA-N 1 0 446.595 5.626 40 0 IKABRO CCOc1cc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)ccc1OC ZINC000019531936 556792380 /nfs/dbraw/zinc/79/23/80/556792380.db2.gz FCYVUYCHUCSCRH-UHFFFAOYSA-N 1 0 431.483 5.256 40 0 IKABRO Clc1ccc(-c2nsc3c2ncnc3N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000001370831 556792707 /nfs/dbraw/zinc/79/27/07/556792707.db2.gz MIZMNGBHPPCEPY-UHFFFAOYSA-N 1 0 428.005 5.252 40 0 IKABRO CCOc1ccc(C[NH+]2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)cc1OC ZINC000019533748 556793574 /nfs/dbraw/zinc/79/35/74/556793574.db2.gz PVNIKHVZLJKXAT-UHFFFAOYSA-N 1 0 449.473 5.337 40 0 IKABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1OC ZINC000019533792 556793697 /nfs/dbraw/zinc/79/36/97/556793697.db2.gz RAIZWOPXYPYBBN-INIZCTEOSA-N 1 0 431.483 5.256 40 0 IKABRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C2CCCCC2)c1 ZINC000019565405 556806169 /nfs/dbraw/zinc/80/61/69/556806169.db2.gz PBIPJQTXQSMFNR-UBFVSLLYSA-N 1 0 438.637 5.154 40 0 IKABRO COc1ccc(C2([NH2+]Cc3ccc(OCc4c(C)noc4C)c(OC)c3)CCCC2)cc1 ZINC000019580927 556819366 /nfs/dbraw/zinc/81/93/66/556819366.db2.gz DZYRVCBOKMOGMH-UHFFFAOYSA-N 1 0 436.552 5.447 40 0 IKABRO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)[N@@H+]2Cc1ccccc1 ZINC000004981598 556826504 /nfs/dbraw/zinc/82/65/04/556826504.db2.gz ABUKBCAATVFRLI-RDNBXWRASA-N 1 0 427.544 5.441 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccc(C)cc2)cs1 ZINC000006511274 556838142 /nfs/dbraw/zinc/83/81/42/556838142.db2.gz SFLDFEVYXRQDPY-UHFFFAOYSA-N 1 0 442.028 6.151 40 0 IKABRO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)cc1 ZINC000019689987 556845229 /nfs/dbraw/zinc/84/52/29/556845229.db2.gz LXVHBTKIIWFVKE-QHCPKHFHSA-N 1 0 449.986 5.159 40 0 IKABRO CC1(C)C=C(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)CC(C)(C)[NH2+]1 ZINC000019690243 556845947 /nfs/dbraw/zinc/84/59/47/556845947.db2.gz XBKNKPHEHJBCBK-HSZRJFAPSA-N 1 0 449.614 5.385 40 0 IKABRO O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)nc1CC[NH2+]Cc1ccc(F)cc1 ZINC000019697206 556854220 /nfs/dbraw/zinc/85/42/20/556854220.db2.gz UHLBNDSQKKYEBS-UHFFFAOYSA-N 1 0 444.485 5.006 40 0 IKABRO Fc1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)[nH]n2)cc1F ZINC000019703636 556862206 /nfs/dbraw/zinc/86/22/06/556862206.db2.gz RXDBYSLOHRYOAD-VWLOTQADSA-N 1 0 434.490 5.195 40 0 IKABRO Cc1nn(-c2ccccn2)c2nc([C@H]3CCC[N@H+]3Cc3c(C)[nH]c4ccc(F)cc43)ccc12 ZINC000019742444 556886451 /nfs/dbraw/zinc/88/64/51/556886451.db2.gz YWEMIEDLZBCAGE-XMMPIXPASA-N 1 0 440.526 5.390 40 0 IKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330448 556905842 /nfs/dbraw/zinc/90/58/42/556905842.db2.gz JOEJFBSVOQAJAR-ZEVQAIKDSA-N 1 0 431.624 5.635 40 0 IKABRO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000072330555 556906731 /nfs/dbraw/zinc/90/67/31/556906731.db2.gz ISODBYSWWKPDCB-HOFKKMOUSA-N 1 0 448.010 5.437 40 0 IKABRO COc1ccc2c(c1)NC1(CC[NH+](CCCC(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2 ZINC000072341665 556914130 /nfs/dbraw/zinc/91/41/30/556914130.db2.gz XFYGODLDWPFJNZ-UHFFFAOYSA-N 1 0 449.982 5.519 40 0 IKABRO CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)o1 ZINC000072344949 556916169 /nfs/dbraw/zinc/91/61/69/556916169.db2.gz JLRQXDPLWPVGJR-OAQYLSRUSA-N 1 0 445.007 5.202 40 0 IKABRO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000072352493 556924593 /nfs/dbraw/zinc/92/45/93/556924593.db2.gz YEXSEJQXOFPYMZ-KRWDZBQOSA-N 1 0 426.557 5.001 40 0 IKABRO CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000072352643 556924821 /nfs/dbraw/zinc/92/48/21/556924821.db2.gz GAOFMGONUJYGJG-HXUWFJFHSA-N 1 0 447.604 5.085 40 0 IKABRO CCc1c(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000072361009 556933163 /nfs/dbraw/zinc/93/31/63/556933163.db2.gz CKJYGHLQPFDEDC-QGZVFWFLSA-N 1 0 446.620 5.042 40 0 IKABRO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000072371478 556938834 /nfs/dbraw/zinc/93/88/34/556938834.db2.gz ZCVUTFONNWJUCM-FQEVSTJZSA-N 1 0 432.955 5.222 40 0 IKABRO Clc1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4cccc5ncccc45)C3)[nH]n2)c1 ZINC000072371726 556940527 /nfs/dbraw/zinc/94/05/27/556940527.db2.gz LCBGXAHYVXGGOB-IBGZPJMESA-N 1 0 432.955 5.222 40 0 IKABRO CCOc1ccc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)[nH+]2)cc1CO ZINC000072372715 556943677 /nfs/dbraw/zinc/94/36/77/556943677.db2.gz XTDOADFSLXYUBT-QFIPXVFZSA-N 1 0 438.597 5.127 40 0 IKABRO COCc1ccc(OC)c(CN2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)c1 ZINC000072372705 556943832 /nfs/dbraw/zinc/94/38/32/556943832.db2.gz CUHHQODFCCBGAR-XMMPIXPASA-N 1 0 447.583 5.033 40 0 IKABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CCCc3ccc(F)c(C)c3)C2)[nH+]1 ZINC000072375046 556950534 /nfs/dbraw/zinc/95/05/34/556950534.db2.gz HXNDUDMDAYDJAP-OAQYLSRUSA-N 1 0 447.558 5.100 40 0 IKABRO Cc1cccc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cc4ccccc4nc3N(C)C)n2)n1 ZINC000072375393 556951159 /nfs/dbraw/zinc/95/11/59/556951159.db2.gz ONYSGACANSOWOK-DEOSSOPVSA-N 1 0 438.579 5.480 40 0 IKABRO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cc1 ZINC000072376622 556955001 /nfs/dbraw/zinc/95/50/01/556955001.db2.gz ZJZRLUMPFICWKE-QHCPKHFHSA-N 1 0 449.986 5.159 40 0 IKABRO Cc1cc(C[C@H]2COC[C@@H]2[N@H+](Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)on1 ZINC000072395084 556966371 /nfs/dbraw/zinc/96/63/71/556966371.db2.gz NRQFQQFFSZSCQV-CVDCTZTESA-N 1 0 448.460 5.401 40 0 IKABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000072398612 556970365 /nfs/dbraw/zinc/97/03/65/556970365.db2.gz NPLWUADKUOXYNA-GJZUVCINSA-N 1 0 449.639 5.085 40 0 IKABRO C[NH+]1CCN([C@H](c2c3ccccc3n(O)c2-c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020192833 556996684 /nfs/dbraw/zinc/99/66/84/556996684.db2.gz HFAIOBHVXRQEGX-VWLOTQADSA-N 1 0 431.967 5.536 40 0 IKABRO O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100328 557034028 /nfs/dbraw/zinc/03/40/28/557034028.db2.gz CHRJFGUBEFMANW-XMMPIXPASA-N 1 0 448.941 5.044 40 0 IKABRO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000408576465 557043036 /nfs/dbraw/zinc/04/30/36/557043036.db2.gz VJRNPJPDABJEKQ-UHFFFAOYSA-N 1 0 432.567 5.764 40 0 IKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC000118913079 557075299 /nfs/dbraw/zinc/07/52/99/557075299.db2.gz ULILXULMDVDQAM-HBPNSXOPSA-N 1 0 425.657 5.817 40 0 IKABRO CCCCC[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343528 557123430 /nfs/dbraw/zinc/12/34/30/557123430.db2.gz INXGAHHQCIHNOR-RGTFROLJSA-N 1 0 443.631 6.897 40 0 IKABRO COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006297061 557150661 /nfs/dbraw/zinc/15/06/61/557150661.db2.gz LGWBTWDQUJEHDZ-KPKJPENVSA-N 1 0 429.358 5.096 40 0 IKABRO CCCCOc1ccc2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000096300409 557194737 /nfs/dbraw/zinc/19/47/37/557194737.db2.gz DURAPIRYAYNRCT-UHFFFAOYSA-N 1 0 440.587 6.218 40 0 IKABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740275 557257575 /nfs/dbraw/zinc/25/75/75/557257575.db2.gz MWBRWQVMOTXTMX-RTBURBONSA-N 1 0 430.983 6.219 40 0 IKABRO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774862 557264779 /nfs/dbraw/zinc/26/47/79/557264779.db2.gz PTWPLXVMNNTQFN-FYYLOGMGSA-N 1 0 428.020 5.773 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH2+]Cc2cnc(C(C)C)nc2)CC1 ZINC000100657938 557267849 /nfs/dbraw/zinc/26/78/49/557267849.db2.gz PLGZKVPBQIMWGI-IZAXUBKRSA-N 1 0 436.625 5.238 40 0 IKABRO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219961516 557272691 /nfs/dbraw/zinc/27/26/91/557272691.db2.gz HMXROPXPADWKGH-DEOSSOPVSA-N 1 0 440.631 5.892 40 0 IKABRO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219964977 557272734 /nfs/dbraw/zinc/27/27/34/557272734.db2.gz CZMNSCJGCQUVDD-UHFFFAOYSA-N 1 0 438.959 5.038 40 0 IKABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000022913661 557273062 /nfs/dbraw/zinc/27/30/62/557273062.db2.gz MPNRDKGQWSVHOO-NRFANRHFSA-N 1 0 426.604 6.033 40 0 IKABRO 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 557319472 /nfs/dbraw/zinc/31/94/72/557319472.db2.gz ZBJYUIRAFQUXKQ-SIDNZMCZSA-N 1 0 436.813 8.317 40 0 IKABRO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499289 557328566 /nfs/dbraw/zinc/32/85/66/557328566.db2.gz RQMUQROSLHQVCQ-XMMPIXPASA-N 1 0 448.615 5.224 40 0 IKABRO Cc1ccc(C[NH2+]Cc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000013564701 557340965 /nfs/dbraw/zinc/34/09/65/557340965.db2.gz AFIFCDPMEOWRGI-UHFFFAOYSA-N 1 0 434.543 5.287 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215828 557342721 /nfs/dbraw/zinc/34/27/21/557342721.db2.gz CWJXYEYEQVDLGL-VWLOTQADSA-N 1 0 443.591 6.882 40 0 IKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000072215769 557342725 /nfs/dbraw/zinc/34/27/25/557342725.db2.gz SJYPLCPLKHNMIS-RUZDIDTESA-N 1 0 449.639 6.883 40 0 IKABRO CCc1ccc(C[N@H+](Cc2cccnc2)Cc2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000013569108 557347529 /nfs/dbraw/zinc/34/75/29/557347529.db2.gz OWRZXFHGFKWMQG-UHFFFAOYSA-N 1 0 426.564 5.100 40 0 IKABRO O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000222537765 557348385 /nfs/dbraw/zinc/34/83/85/557348385.db2.gz VWBIDEOOKUVZON-UHFFFAOYSA-N 1 0 438.622 5.459 40 0 IKABRO Cc1ccc(-c2cc3nc4c(c(NC5CC[NH+](Cc6ccccc6)CC5)n3n2)CCC4)cc1 ZINC000013562636 557353064 /nfs/dbraw/zinc/35/30/64/557353064.db2.gz ZCXQXBDMVIMGNV-UHFFFAOYSA-N 1 0 437.591 5.270 40 0 IKABRO C[NH+](C)CC(C)(C)CNc1cc(-c2ccccc2)nc2cc(-c3cccc(Cl)c3)nn21 ZINC000013562750 557353155 /nfs/dbraw/zinc/35/31/55/557353155.db2.gz SICUWNDXWGTJOH-UHFFFAOYSA-N 1 0 433.987 5.716 40 0 IKABRO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)[N@@H+]2Cc1ccccc1 ZINC000013563495 557353717 /nfs/dbraw/zinc/35/37/17/557353717.db2.gz YMAUOWKZFNZVSE-XBZNOJLSSA-N 1 0 433.573 5.503 40 0 IKABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222626145 557364665 /nfs/dbraw/zinc/36/46/65/557364665.db2.gz NYOCDVZWJASLOA-MRXNPFEDSA-N 1 0 447.391 5.363 40 0 IKABRO CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113958593 557381779 /nfs/dbraw/zinc/38/17/79/557381779.db2.gz DYELLOMSEMXGFD-UHFFFAOYSA-N 1 0 428.576 5.792 40 0 IKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000113958919 557381975 /nfs/dbraw/zinc/38/19/75/557381975.db2.gz JSOMSHHSRPNRLN-DEOSSOPVSA-N 1 0 440.631 6.249 40 0 IKABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 ZINC000013998227 557402578 /nfs/dbraw/zinc/40/25/78/557402578.db2.gz MHTQWLGQZQJDEI-SXOMAYOGSA-N 1 0 439.555 5.377 40 0 IKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000223103560 557431525 /nfs/dbraw/zinc/43/15/25/557431525.db2.gz FKEGFGNXTHVCCA-VWLOTQADSA-N 1 0 425.016 5.698 40 0 IKABRO CC(C)COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000014273641 557433265 /nfs/dbraw/zinc/43/32/65/557433265.db2.gz DGGYLIWMXGIYDG-UHFFFAOYSA-N 1 0 443.591 5.296 40 0 IKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c2ccccc2O1 ZINC000223219252 557447400 /nfs/dbraw/zinc/44/74/00/557447400.db2.gz LJFQFPBFYRNPEW-QHCPKHFHSA-N 1 0 441.015 5.751 40 0 IKABRO CCCCCCc1c(C)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000014608496 557448512 /nfs/dbraw/zinc/44/85/12/557448512.db2.gz DMXWDBOBJXEMPZ-UHFFFAOYSA-N 1 0 444.623 5.113 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1C(C)C ZINC000223349139 557461165 /nfs/dbraw/zinc/46/11/65/557461165.db2.gz HTDQVKLUPLVQPY-LJQANCHMSA-N 1 0 443.031 5.870 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C(C)C ZINC000223350370 557461354 /nfs/dbraw/zinc/46/13/54/557461354.db2.gz FSOPVIHUKFSXCC-LJQANCHMSA-N 1 0 426.576 5.356 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1C(C)C ZINC000223350212 557461416 /nfs/dbraw/zinc/46/14/16/557461416.db2.gz MWDWXDQZFXCPCZ-LJQANCHMSA-N 1 0 426.576 5.356 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000223367787 557463536 /nfs/dbraw/zinc/46/35/36/557463536.db2.gz VAHQGKNMOUPOEW-TZIWHRDSSA-N 1 0 426.576 5.356 40 0 IKABRO COc1c(Br)cc(Br)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000016194479 557470545 /nfs/dbraw/zinc/47/05/45/557470545.db2.gz ZAWMKBVUUJLOJL-UHFFFAOYSA-N 1 0 429.196 5.135 40 0 IKABRO COc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195583 557470905 /nfs/dbraw/zinc/47/09/05/557470905.db2.gz FFXPIWZELNFWDR-UHFFFAOYSA-N 1 0 431.157 5.596 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3cccs3)c(OC)c2)cc1OC ZINC000016227403 557471439 /nfs/dbraw/zinc/47/14/39/557471439.db2.gz PXJJYCGWNCWGEG-UHFFFAOYSA-N 1 0 447.984 5.339 40 0 IKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000016688075 557475151 /nfs/dbraw/zinc/47/51/51/557475151.db2.gz HAGIYTUMPOMKAT-UHFFFAOYSA-N 1 0 431.143 5.082 40 0 IKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1sc2ccccc2c1Cl ZINC000017096729 557477503 /nfs/dbraw/zinc/47/75/03/557477503.db2.gz CKILTQUWTKKACC-UHFFFAOYSA-N 1 0 429.998 5.277 40 0 IKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC([NH+]5CCCC5)=CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923596 557494486 /nfs/dbraw/zinc/49/44/86/557494486.db2.gz RGRNUVRIJBGXEL-OMMWMSRCSA-N 1 0 439.772 8.697 40 0 IKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000019637111 557503258 /nfs/dbraw/zinc/50/32/58/557503258.db2.gz ZWOXHKJUQUSCQW-UHFFFAOYSA-N 1 0 442.728 5.039 40 0 IKABRO COc1ccc([C@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000004144012 557531440 /nfs/dbraw/zinc/53/14/40/557531440.db2.gz BTUTYNXWDXRDAN-GQHLQYEBSA-N 1 0 431.576 5.335 40 0 IKABRO Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224292438 557586464 /nfs/dbraw/zinc/58/64/64/557586464.db2.gz GLVOZFZPKDPEDS-ZEQRLZLVSA-N 1 0 425.561 5.061 40 0 IKABRO CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224359853 557597757 /nfs/dbraw/zinc/59/77/57/557597757.db2.gz AGCWCNFGRILBDD-RPBOFIJWSA-N 1 0 439.588 5.568 40 0 IKABRO CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000224389235 557600525 /nfs/dbraw/zinc/60/05/25/557600525.db2.gz QSSYGAMKRJMJQA-NFBKMPQASA-N 1 0 441.015 5.751 40 0 IKABRO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000224535284 557617866 /nfs/dbraw/zinc/61/78/66/557617866.db2.gz OJCVLHVBXRNEGM-UHFFFAOYSA-N 1 0 429.004 5.045 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(CSc2ccccc2)cc1 ZINC000224644984 557635489 /nfs/dbraw/zinc/63/54/89/557635489.db2.gz WNZGDOHTPGPEAG-UHFFFAOYSA-N 1 0 430.617 5.895 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000224806370 557653488 /nfs/dbraw/zinc/65/34/88/557653488.db2.gz RDUCVSGZIMZHGP-UHFFFAOYSA-N 1 0 430.617 5.895 40 0 IKABRO O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224807637 557653521 /nfs/dbraw/zinc/65/35/21/557653521.db2.gz PEZVMVBUGDRSPW-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1SCc1ccccc1 ZINC000224826609 557655891 /nfs/dbraw/zinc/65/58/91/557655891.db2.gz OYHCGBIOAXIAIZ-UHFFFAOYSA-N 1 0 430.617 5.895 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224831814 557656454 /nfs/dbraw/zinc/65/64/54/557656454.db2.gz GLABHJTVLFCVTJ-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)C1 ZINC000225432090 557722404 /nfs/dbraw/zinc/72/24/04/557722404.db2.gz MDMOCWYNBGZZHI-OAHLLOKOSA-N 1 0 426.973 5.343 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)CCCC2)c1 ZINC000225509937 557732440 /nfs/dbraw/zinc/73/24/40/557732440.db2.gz ZZPBBOGTQSGTDK-GOTSBHOMSA-N 1 0 434.624 5.802 40 0 IKABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520904 557734943 /nfs/dbraw/zinc/73/49/43/557734943.db2.gz UOQBYQLTEMLLMZ-NRFANRHFSA-N 1 0 438.587 5.920 40 0 IKABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCC3)cc2)C1 ZINC000225526096 557736305 /nfs/dbraw/zinc/73/63/05/557736305.db2.gz SHKKMHGPFWFQNX-HXUWFJFHSA-N 1 0 441.015 5.901 40 0 IKABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225526206 557736321 /nfs/dbraw/zinc/73/63/21/557736321.db2.gz OJJWJGAKEWFSDE-FQEVSTJZSA-N 1 0 441.015 6.044 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000225528853 557737059 /nfs/dbraw/zinc/73/70/59/557737059.db2.gz ZMAYTDAVXZOOQT-UHFFFAOYSA-N 1 0 447.406 5.919 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCCC4)cc3)CCCC2)cc1 ZINC000225531746 557737593 /nfs/dbraw/zinc/73/75/93/557737593.db2.gz SUCAHQJDBYDXOA-UHFFFAOYSA-N 1 0 436.596 5.401 40 0 IKABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534804 557737966 /nfs/dbraw/zinc/73/79/66/557737966.db2.gz KZJKQDXMKNKKTR-QHCPKHFHSA-N 1 0 434.624 6.171 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCC(C)CC4)cc3)CCCCC2)c1 ZINC000225540241 557738817 /nfs/dbraw/zinc/73/88/17/557738817.db2.gz OJYVXQYXTQZCRT-UHFFFAOYSA-N 1 0 448.651 6.336 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)c1 ZINC000225540284 557738861 /nfs/dbraw/zinc/73/88/61/557738861.db2.gz BARJGMNHPOWWNZ-XMMPIXPASA-N 1 0 448.651 6.336 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCC(C)CC4)cc3)CCCCC2)cc1 ZINC000225542313 557739221 /nfs/dbraw/zinc/73/92/21/557739221.db2.gz CSPLCZJVYRAQFD-UHFFFAOYSA-N 1 0 434.624 5.946 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@@H]4C)cc3)CCCCC2)cc1 ZINC000225542854 557739238 /nfs/dbraw/zinc/73/92/38/557739238.db2.gz XVGMRQYFNWAWAI-DEOSSOPVSA-N 1 0 448.651 6.479 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCCCC4)cc3)CCCCC2)cc1 ZINC000225542887 557739494 /nfs/dbraw/zinc/73/94/94/557739494.db2.gz VPKLVNBDZXIGJI-UHFFFAOYSA-N 1 0 448.651 6.481 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225545469 557739601 /nfs/dbraw/zinc/73/96/01/557739601.db2.gz DJZISGFNUIFFFB-UHFFFAOYSA-N 1 0 438.587 5.921 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225545308 557739654 /nfs/dbraw/zinc/73/96/54/557739654.db2.gz YXMMQJMSDJDEOT-UHFFFAOYSA-N 1 0 438.587 5.921 40 0 IKABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 ZINC000225547991 557740295 /nfs/dbraw/zinc/74/02/95/557740295.db2.gz GNQJWYRZNWFYPE-NRFANRHFSA-N 1 0 438.587 5.777 40 0 IKABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225548072 557740301 /nfs/dbraw/zinc/74/03/01/557740301.db2.gz MXEZUGLFQWWKHI-NRFANRHFSA-N 1 0 438.587 5.920 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000225551190 557740782 /nfs/dbraw/zinc/74/07/82/557740782.db2.gz RUQHJMNNMVWDNE-UHFFFAOYSA-N 1 0 441.015 6.045 40 0 IKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225551154 557740799 /nfs/dbraw/zinc/74/07/99/557740799.db2.gz LQTUQEFMFOLOMR-UHFFFAOYSA-N 1 0 443.031 6.291 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccccc2Cl)CCCCC1 ZINC000225553587 557741275 /nfs/dbraw/zinc/74/12/75/557741275.db2.gz DUEHQRWVWWOPFC-UHFFFAOYSA-N 1 0 441.015 6.045 40 0 IKABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC000225556607 557741934 /nfs/dbraw/zinc/74/19/34/557741934.db2.gz IHVVARJHHZZUQD-UHFFFAOYSA-N 1 0 449.422 6.165 40 0 IKABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561857 557742670 /nfs/dbraw/zinc/74/26/70/557742670.db2.gz DPHHZVIOMWBTIG-JOCHJYFZSA-N 1 0 436.596 5.017 40 0 IKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC000225577474 557745893 /nfs/dbraw/zinc/74/58/93/557745893.db2.gz XMTFRLQCAVRMPS-UHFFFAOYSA-N 1 0 445.003 5.138 40 0 IKABRO CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c2ccccc2O1 ZINC000225586059 557747666 /nfs/dbraw/zinc/74/76/66/557747666.db2.gz TWDPCPOJYTWONE-NRFANRHFSA-N 1 0 430.951 5.110 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225652169 557757239 /nfs/dbraw/zinc/75/72/39/557757239.db2.gz SOJFYOFWYWWYNK-NVQXNPDNSA-N 1 0 432.649 6.034 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225652243 557757308 /nfs/dbraw/zinc/75/73/08/557757308.db2.gz RERRGOPGEGKVBV-SANMLTNESA-N 1 0 432.649 6.036 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCCCC1 ZINC000225659523 557758159 /nfs/dbraw/zinc/75/81/59/557758159.db2.gz NBGGAMZPVMUGDJ-FGZHOGPDSA-N 1 0 430.633 5.501 40 0 IKABRO 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 557758971 /nfs/dbraw/zinc/75/89/71/557758971.db2.gz VOAURTKTVRYFMO-ZUVQJFRASA-N 1 0 430.633 5.357 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225669189 557760120 /nfs/dbraw/zinc/76/01/20/557760120.db2.gz PKRHICKNWVQMJP-GUXMJAIHSA-N 1 0 430.633 5.501 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225668816 557760157 /nfs/dbraw/zinc/76/01/57/557760157.db2.gz OWQHHEIRQBTDMK-OLJONYEBSA-N 1 0 430.633 5.357 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC(C)CC1 ZINC000225669276 557760328 /nfs/dbraw/zinc/76/03/28/557760328.db2.gz FZYSXGZASJFKPN-UHFFFAOYSA-N 1 0 430.633 5.646 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225696174 557765524 /nfs/dbraw/zinc/76/55/24/557765524.db2.gz BQIPUKWLPRFBLH-QFIPXVFZSA-N 1 0 432.649 5.746 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225696554 557765531 /nfs/dbraw/zinc/76/55/31/557765531.db2.gz GUZLUUPJMDREOH-HSZRJFAPSA-N 1 0 446.676 5.993 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225696598 557765555 /nfs/dbraw/zinc/76/55/55/557765555.db2.gz OVVGELCHHFCKGD-QHCPKHFHSA-N 1 0 446.676 6.136 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225742055 557771644 /nfs/dbraw/zinc/77/16/44/557771644.db2.gz LBEZMBKQXFCGDM-UHFFFAOYSA-N 1 0 432.649 5.747 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225750023 557772582 /nfs/dbraw/zinc/77/25/82/557772582.db2.gz DNRPOXFTSCKQJT-DRLORSAXSA-N 1 0 432.649 5.747 40 0 IKABRO O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000059557301 557827657 /nfs/dbraw/zinc/82/76/57/557827657.db2.gz YHRNAXOVSFJJPE-UHFFFAOYSA-N 1 0 443.635 5.554 40 0 IKABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+]4CCC(CO)CC4)C=C3C)o2)cc1 ZINC000030883075 560089658 /nfs/dbraw/zinc/08/96/58/560089658.db2.gz DGPCOTSOFDJRDZ-SDHOMARFSA-N 1 0 437.628 5.146 40 0 biogenic,in-vitro IKABRO COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccco4)C=C3C)o2)cc1 ZINC000030883217 560089663 /nfs/dbraw/zinc/08/96/63/560089663.db2.gz JICNTMDAVDWGCT-HFMPRLQTSA-N 1 0 435.568 5.525 40 0 biogenic,in-vitro IKABRO O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000004258720 560197844 /nfs/dbraw/zinc/19/78/44/560197844.db2.gz APHDCKYZBOWIJO-DOTOQJQBSA-N 1 0 446.494 5.095 40 0 biogenic,in-vitro IKABRO Oc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000013537287 562992468 /nfs/dbraw/zinc/99/24/68/562992468.db2.gz LAGYWHSFHIMTPE-UHFFFAOYSA-N 1 0 444.554 5.048 40 0 world IKABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3cccc(C)c3)CC2)sc1CCOc1ccccc1 ZINC000019738686 568752399 /nfs/dbraw/zinc/75/23/99/568752399.db2.gz MNWPCSXQDYHAME-AREMUKBSSA-N 1 0 436.621 5.255 40 0 IKABRO O=C(N[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1 ZINC000015770231 568822285 /nfs/dbraw/zinc/82/22/85/568822285.db2.gz MXDQETUYEVZEIX-UHFFFAOYSA-O 1 0 427.527 6.359 40 0 IKABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 ZINC000216839466 568862809 /nfs/dbraw/zinc/86/28/09/568862809.db2.gz RZZCGPHSEQOMKY-HUUCEWRRSA-N 1 0 446.332 5.577 40 0 IKABRO Cc1cc(C)cc(C(=O)N2CCC[C@@]3(C2)C[N@H+](C(C)C)Cc2c(-c4ccccc4)ncn23)c1 ZINC000585106593 568872643 /nfs/dbraw/zinc/87/26/43/568872643.db2.gz CJJRWXVTDKHPQX-MUUNZHRXSA-N 1 0 442.607 5.022 40 0 IKABRO Cc1cc(C)cc(C(=O)N2CCC[C@]3(C2)C[N@H+](C(C)C)Cc2c(-c4ccccc4)ncn23)c1 ZINC000585106594 568872801 /nfs/dbraw/zinc/87/28/01/568872801.db2.gz CJJRWXVTDKHPQX-NDEPHWFRSA-N 1 0 442.607 5.022 40 0 IKABRO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100081 568872804 /nfs/dbraw/zinc/87/28/04/568872804.db2.gz FEGWOAJLJWRZBW-NDEPHWFRSA-N 1 0 447.598 5.677 40 0 IKABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)cc1 ZINC000585262935 568873851 /nfs/dbraw/zinc/87/38/51/568873851.db2.gz PWVWLPJMWNDAIB-LJQANCHMSA-N 1 0 432.955 5.438 40 0 IKABRO Cc1cc(OCC2(O)CC[NH+]([C@H]3CC[C@H](c4ccccc4)CC3)CC2)cc(C)c1Cl ZINC000585283070 568874498 /nfs/dbraw/zinc/87/44/98/568874498.db2.gz PNDWXNGTRFNGBB-YHBQERECSA-N 1 0 428.016 5.889 40 0 IKABRO FC(F)(F)c1nc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)n2)no1 ZINC000585266373 568874552 /nfs/dbraw/zinc/87/45/52/568874552.db2.gz UXBQWPCVZLDZCW-MRXNPFEDSA-N 1 0 439.441 5.078 40 0 IKABRO CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000585293276 568874767 /nfs/dbraw/zinc/87/47/67/568874767.db2.gz YZFFUWOAWAOOEH-HRNNMHKYSA-N 1 0 428.016 6.332 40 0 IKABRO CCCCCC(=O)OC[C@H](O)[C@H](CC(C)C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026897174 568924061 /nfs/dbraw/zinc/92/40/61/568924061.db2.gz QZVFMGPBMKBFFB-UIOOFZCWSA-N 1 0 425.613 5.588 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(Cl)c2)[NH+]2CCCCC2)c1C ZINC000002546527 569097377 /nfs/dbraw/zinc/09/73/77/569097377.db2.gz UVIFOENUKWRGDS-QHCPKHFHSA-N 1 0 439.024 6.846 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c1C ZINC000002546535 569097445 /nfs/dbraw/zinc/09/74/45/569097445.db2.gz WRJCAZWZHRAVKZ-XMMPIXPASA-N 1 0 436.596 6.578 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1C ZINC000002546445 569097457 /nfs/dbraw/zinc/09/74/57/569097457.db2.gz WPFDHGLOCYBXTF-HSZRJFAPSA-N 1 0 439.024 6.846 40 0 IKABRO O[C@@H](CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3)C[NH+]1CCCCC1 ZINC000005394919 569218455 /nfs/dbraw/zinc/21/84/55/569218455.db2.gz WEOJIUMBVVUGJJ-YIXXDRMTSA-N 1 0 435.656 5.229 40 0 IKABRO O=C(NCCSCc1ccccc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063285 569219756 /nfs/dbraw/zinc/21/97/56/569219756.db2.gz RQHNMEHXSXDWPY-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063339 569219768 /nfs/dbraw/zinc/21/97/68/569219768.db2.gz OTCQULZVHCXOLO-UHFFFAOYSA-N 1 0 437.008 6.342 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)ccc21 ZINC000009062983 569219772 /nfs/dbraw/zinc/21/97/72/569219772.db2.gz NXECEOGAFNWXSB-UHFFFAOYSA-N 1 0 425.576 5.974 40 0 IKABRO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010324157 569222937 /nfs/dbraw/zinc/22/29/37/569222937.db2.gz XWTJLPUWUHWKEP-UHFFFAOYSA-N 1 0 432.951 5.809 40 0 IKABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000019234963 569226046 /nfs/dbraw/zinc/22/60/46/569226046.db2.gz HIXPCWQFYIIFFW-LEAFIULHSA-N 1 0 427.592 5.092 40 0 IKABRO Cc1ccsc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000019238617 569226325 /nfs/dbraw/zinc/22/63/25/569226325.db2.gz HKPWKVCNGBNTTD-BKMJKUGQSA-N 1 0 433.621 5.154 40 0 IKABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402659 569226701 /nfs/dbraw/zinc/22/67/01/569226701.db2.gz NVEUZSABFSVOCN-SHQCIBLASA-N 1 0 440.591 5.013 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000019704293 569233280 /nfs/dbraw/zinc/23/32/80/569233280.db2.gz HGVKFRBLBICYBS-JOCHJYFZSA-N 1 0 435.616 5.496 40 0 IKABRO Cc1nc([C@@]2(O)CCC[N@@H+](C3CCCCC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705244 569234160 /nfs/dbraw/zinc/23/41/60/569234160.db2.gz SQORXFUQXZIXAV-HSZRJFAPSA-N 1 0 436.568 5.315 40 0 IKABRO Cc1nc([C@]2(O)CCC[N@@H+](C3CCCCC3)CC2)sc1CCOc1ccccc1F ZINC000019705421 569234311 /nfs/dbraw/zinc/23/43/11/569234311.db2.gz SYWKJRLFUZNTHF-DEOSSOPVSA-N 1 0 432.605 5.218 40 0 IKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3ccnn3C(C)C)cc2)C1 ZINC000019711775 569234932 /nfs/dbraw/zinc/23/49/32/569234932.db2.gz SNKCJOQEZJNCAH-JRFVFWCSSA-N 1 0 426.605 5.303 40 0 IKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccccc2NC(=O)Cn2cnc3ccccc32)C1 ZINC000019712198 569235159 /nfs/dbraw/zinc/23/51/59/569235159.db2.gz HAACSTDDFMGJEX-VANUSSGQSA-N 1 0 448.611 5.262 40 0 IKABRO Cc1ncc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C(F)(F)F)c2)s1 ZINC000019713166 569235410 /nfs/dbraw/zinc/23/54/10/569235410.db2.gz FTAFQDMAAGFVCE-UXHICEINSA-N 1 0 437.531 5.016 40 0 IKABRO COc1c(C)cccc1C[N@H+]1[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713920 569235785 /nfs/dbraw/zinc/23/57/85/569235785.db2.gz NZHSWRARPRYWLO-PWRODBHTSA-N 1 0 432.486 5.007 40 0 IKABRO CC(C)c1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000020241799 569241249 /nfs/dbraw/zinc/24/12/49/569241249.db2.gz GTYILTMHDLAJOL-UHFFFAOYSA-N 1 0 427.592 5.380 40 0 IKABRO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855178 569249298 /nfs/dbraw/zinc/24/92/98/569249298.db2.gz QBBDWPFHEWIHBM-UGKGYDQZSA-N 1 0 426.988 5.279 40 0 IKABRO C=C1[NH+]=C(SCc2ccc(Cl)c(Cl)c2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000107935129 569251809 /nfs/dbraw/zinc/25/18/09/569251809.db2.gz LMRVIGOKDOMJIR-IBGZPJMESA-N 1 0 435.376 5.764 40 0 IKABRO CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)c2ccccc21 ZINC000257199329 569275468 /nfs/dbraw/zinc/27/54/68/569275468.db2.gz ZSAFBTBLHQRTRB-ZICYKWEPSA-N 1 0 445.651 5.576 40 0 IKABRO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000257201845 569275566 /nfs/dbraw/zinc/27/55/66/569275566.db2.gz AJGQIDPSXIWJID-IBGZPJMESA-N 1 0 449.520 6.259 40 0 IKABRO CCOc1cc2c(cc1C[NH+]1CCC(c3ccc(Cc4ccccc4)cn3)CC1)O[C@H](C)C2 ZINC000257204429 569275677 /nfs/dbraw/zinc/27/56/77/569275677.db2.gz AUOXKCRFFCEVGB-OAQYLSRUSA-N 1 0 442.603 5.774 40 0 IKABRO CC(=O)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1OC1CCCC1)CC2 ZINC000257204831 569275759 /nfs/dbraw/zinc/27/57/59/569275759.db2.gz AWLRSOHRRLMRTN-VWLOTQADSA-N 1 0 448.607 5.185 40 0 IKABRO COc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000257210681 569275854 /nfs/dbraw/zinc/27/58/54/569275854.db2.gz BVRPDQBMAQLHAF-LBNVMWSVSA-N 1 0 444.550 5.140 40 0 IKABRO CC(C)n1c(C[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc2ccccc21 ZINC000257212047 569276007 /nfs/dbraw/zinc/27/60/07/569276007.db2.gz CBRTWPHQYDOXMV-QHCPKHFHSA-N 1 0 442.582 6.122 40 0 IKABRO CCc1cccc2c(C[N@@H+]3CC[C@@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c21 ZINC000257216307 569276029 /nfs/dbraw/zinc/27/60/29/569276029.db2.gz CTXNLHSMVLBPPF-LJQANCHMSA-N 1 0 445.632 5.647 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000257222476 569276124 /nfs/dbraw/zinc/27/61/24/569276124.db2.gz DTLOZEYPHZNBIU-NRFANRHFSA-N 1 0 428.502 5.287 40 0 IKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(F)c3)[NH2+][C@H]2c2ccc(Cl)cc2)n1 ZINC000257222202 569276145 /nfs/dbraw/zinc/27/61/45/569276145.db2.gz DSIYCVIPDREGPU-HJNYFJLDSA-N 1 0 440.950 5.256 40 0 IKABRO CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](CCCc2ccccc2)CC1 ZINC000257222074 569276216 /nfs/dbraw/zinc/27/62/16/569276216.db2.gz DRTRLWMHJDLVHR-UHFFFAOYSA-N 1 0 441.619 5.094 40 0 IKABRO 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 569276343 /nfs/dbraw/zinc/27/63/43/569276343.db2.gz DUKJRTPYQATLHG-RSYZFUPGSA-N 1 0 445.569 7.252 40 0 IKABRO CCc1c(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000257230590 569276405 /nfs/dbraw/zinc/27/64/05/569276405.db2.gz GCZMLCKEAAABQG-SFHVURJKSA-N 1 0 445.632 5.647 40 0 IKABRO CCc1c(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000257230589 569276473 /nfs/dbraw/zinc/27/64/73/569276473.db2.gz GCZMLCKEAAABQG-GOSISDBHSA-N 1 0 445.632 5.647 40 0 IKABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)ccc2O1 ZINC000257233498 569276628 /nfs/dbraw/zinc/27/66/28/569276628.db2.gz GPOBMWHHFQXYQI-OAQYLSRUSA-N 1 0 448.557 6.044 40 0 IKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+](Cc4ccc5c(c4)CC(C)(C)O5)C3)nc2)c1 ZINC000257234361 569276690 /nfs/dbraw/zinc/27/66/90/569276690.db2.gz GTEVURLXOGYNDD-XMMPIXPASA-N 1 0 442.603 5.774 40 0 IKABRO CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1CCOC2(CC[NH+](C(C)C)CC2)C1 ZINC000257234840 569276694 /nfs/dbraw/zinc/27/66/94/569276694.db2.gz GVHGVVMEKDJGJK-VWLOTQADSA-N 1 0 434.624 5.089 40 0 IKABRO Cc1c(C[N@@H+]2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)oc2ccc(C)cc12 ZINC000257241913 569276866 /nfs/dbraw/zinc/27/68/66/569276866.db2.gz IAFKJXIADCKNDQ-URXFXBBRSA-N 1 0 447.623 6.093 40 0 IKABRO Cc1nc(Nc2cccc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)sc1C ZINC000257249427 569277027 /nfs/dbraw/zinc/27/70/27/569277027.db2.gz JIHDTKFQODWKOD-JOCHJYFZSA-N 1 0 431.565 5.020 40 0 IKABRO CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(C[NH2+]CCc3ccc(F)cc3)cc12 ZINC000257258002 569277272 /nfs/dbraw/zinc/27/72/72/569277272.db2.gz KRZTYTGUOZQLAK-UHFFFAOYSA-N 1 0 436.962 5.843 40 0 IKABRO Cc1cccc(C[NH+]2CCC(Cc3ccccc3-c3ccccc3C)(C(=O)N(C)C)CC2)n1 ZINC000257264678 569277388 /nfs/dbraw/zinc/27/73/88/569277388.db2.gz LVPKOPARRCSRKK-UHFFFAOYSA-N 1 0 441.619 5.279 40 0 IKABRO COc1cccc(C[NH+]2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c1 ZINC000257266075 569277497 /nfs/dbraw/zinc/27/74/97/569277497.db2.gz MBLQNFPRPGOJHX-UHFFFAOYSA-N 1 0 440.509 6.079 40 0 IKABRO Cc1cc(-c2cc3c(n[nH]c3NC3CC[NH+](Cc4ccccc4)CC3)nc2C(C)C)on1 ZINC000257271477 569277688 /nfs/dbraw/zinc/27/76/88/569277688.db2.gz MYMLVZVDRZWMNO-UHFFFAOYSA-N 1 0 430.556 5.121 40 0 IKABRO Cc1ccc2c(c1)oc1c2CC(C)(C)[C@H]2CC3(CC[NH+](Cc4ncccc4C)CC3)CO[C@H]12 ZINC000257279381 569277830 /nfs/dbraw/zinc/27/78/30/569277830.db2.gz OGHIURSNSAYZAM-HOFKKMOUSA-N 1 0 444.619 6.387 40 0 IKABRO Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)n2)s1 ZINC000257281621 569277954 /nfs/dbraw/zinc/27/79/54/569277954.db2.gz OQDXAIXSRJFMAO-IBGZPJMESA-N 1 0 439.629 5.121 40 0 IKABRO CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000257284039 569277993 /nfs/dbraw/zinc/27/79/93/569277993.db2.gz PAZZPJCYDVNOOL-UHFFFAOYSA-N 1 0 448.010 5.363 40 0 IKABRO CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CC[NH+](Cc2ccncc2)CC1 ZINC000257280364 569278005 /nfs/dbraw/zinc/27/80/05/569278005.db2.gz OKOAZTOVLWRNNS-UHFFFAOYSA-N 1 0 433.621 5.160 40 0 IKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+]3Cc3c(C)cc(OC)c(C)c3C)nc2)c1 ZINC000257288440 569278089 /nfs/dbraw/zinc/27/80/89/569278089.db2.gz PUFFEZUMDPVJBC-HHHXNRCGSA-N 1 0 430.592 5.952 40 0 IKABRO Cc1nc2cc(C(=O)N3CC[C@H](c4cc(Nc5cccc(F)c5)cc(C)[nH+]4)C3)ccc2n1C ZINC000257291569 569278243 /nfs/dbraw/zinc/27/82/43/569278243.db2.gz QHOOHVGDGVJMNN-IBGZPJMESA-N 1 0 443.526 5.098 40 0 IKABRO CC1(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CC[NH+](C2CCCC2)CC1 ZINC000257297770 569278328 /nfs/dbraw/zinc/27/83/28/569278328.db2.gz RISROPYCEURQOD-UHFFFAOYSA-N 1 0 445.651 5.423 40 0 IKABRO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCC[N@@H+]3[C@H]3CCSC3)nn21 ZINC000257294439 569278399 /nfs/dbraw/zinc/27/83/99/569278399.db2.gz QUDLRRSRMZPSRT-NZUILWFCSA-N 1 0 428.549 5.247 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000257302161 569278569 /nfs/dbraw/zinc/27/85/69/569278569.db2.gz SBTJZDXBGIJWTH-IBGZPJMESA-N 1 0 438.641 5.423 40 0 IKABRO Cc1ccccc1C[NH+]1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)CC1 ZINC000257304326 569278712 /nfs/dbraw/zinc/27/87/12/569278712.db2.gz SLBLJKWUWYGHDU-UHFFFAOYSA-N 1 0 441.619 5.407 40 0 IKABRO Fc1ccccc1O[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1OCc1cccnc1)CC2 ZINC000257315039 569278935 /nfs/dbraw/zinc/27/89/35/569278935.db2.gz UZQLWKUPACNDJM-QHCPKHFHSA-N 1 0 448.538 5.002 40 0 IKABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)CCc4cc(OC(C)C)no4)C3)c2)cc1 ZINC000257314865 569278986 /nfs/dbraw/zinc/27/89/86/569278986.db2.gz UYVTWFPSXONPCR-HXUWFJFHSA-N 1 0 448.567 5.166 40 0 IKABRO Cc1[nH]c2ccc(F)cc2c1C[NH+]1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000257312550 569279014 /nfs/dbraw/zinc/27/90/14/569279014.db2.gz UOMIKOHVEKWKBT-UHFFFAOYSA-N 1 0 442.538 5.156 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](Cc2ccncc2)CC1 ZINC000257319252 569279114 /nfs/dbraw/zinc/27/91/14/569279114.db2.gz VRNGFKRFNKYNTJ-UHFFFAOYSA-N 1 0 445.582 5.237 40 0 IKABRO 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 569279206 /nfs/dbraw/zinc/27/92/06/569279206.db2.gz WLQIVKBCVXNHKR-MBWHEUGSSA-N 1 0 448.607 5.087 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322226 569279281 /nfs/dbraw/zinc/27/92/81/569279281.db2.gz WFCJOGZGQRLQQN-UGKGYDQZSA-N 1 0 431.983 5.522 40 0 IKABRO COc1c(C)cccc1C(=O)N1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)[nH+]2)C1 ZINC000257322029 569279334 /nfs/dbraw/zinc/27/93/34/569279334.db2.gz WEHXMKFFNSCHTN-GOSISDBHSA-N 1 0 436.581 5.154 40 0 IKABRO 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 569279373 /nfs/dbraw/zinc/27/93/73/569279373.db2.gz WRETZYILWMCTJJ-PFGYYQCGSA-N 1 0 431.555 5.006 40 0 IKABRO COCc1cc(C[NH+]2CCC(c3ccc(Cc4ccccc4)cn3)CC2)ccc1OC(C)C ZINC000257329316 569279428 /nfs/dbraw/zinc/27/94/28/569279428.db2.gz XJIFORXEQZKEHB-UHFFFAOYSA-N 1 0 444.619 5.986 40 0 IKABRO CC1(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3)C2)CC[NH+](C2CCCC2)CC1 ZINC000257329517 569279540 /nfs/dbraw/zinc/27/95/40/569279540.db2.gz XKHSTYZRNNTAQV-NRFANRHFSA-N 1 0 448.611 5.020 40 0 IKABRO CCOc1ccc(C[NH+]2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)cc1CO ZINC000257329390 569279575 /nfs/dbraw/zinc/27/95/75/569279575.db2.gz XJUPROBVQXPARJ-UHFFFAOYSA-N 1 0 434.555 5.082 40 0 IKABRO COc1cccc(Cc2ccc(C3CC[NH+](Cc4cc5c(cc4OC)CCC5)CC3)nc2)c1 ZINC000257344427 569279982 /nfs/dbraw/zinc/27/99/82/569279982.db2.gz ZXEFELRYLHVMBZ-UHFFFAOYSA-N 1 0 442.603 5.558 40 0 IKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812372 569281733 /nfs/dbraw/zinc/28/17/33/569281733.db2.gz AVVRMCJSCIGUMF-BKMJKUGQSA-N 1 0 432.649 5.892 40 0 IKABRO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000260833527 569281879 /nfs/dbraw/zinc/28/18/79/569281879.db2.gz XQWZMEHORIKUKF-WBVHZDCISA-N 1 0 447.804 5.292 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCC2)cc1 ZINC000260816973 569281895 /nfs/dbraw/zinc/28/18/95/569281895.db2.gz SRIBYIIIOFIOIG-NRFANRHFSA-N 1 0 436.596 5.256 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814767 569281933 /nfs/dbraw/zinc/28/19/33/569281933.db2.gz NINRTMZXLKOOEL-VVZHRXSXSA-N 1 0 430.633 5.501 40 0 IKABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329013981 569285462 /nfs/dbraw/zinc/28/54/62/569285462.db2.gz MTCNGYYWNHUHHS-UHFFFAOYSA-N 1 0 434.506 5.806 40 0 IKABRO O=C(Nc1cccc(N[N+](=O)c2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 ZINC000368085316 569287855 /nfs/dbraw/zinc/28/78/55/569287855.db2.gz UTFHTWGNFYQSMT-UHFFFAOYSA-O 1 0 437.479 5.629 40 0 IKABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccncc4)C=C3C)o2)cc1 ZINC000030883151 291401181 /nfs/dbraw/zinc/40/11/81/291401181.db2.gz SIUJIKKJQGEVLX-SDHOMARFSA-N 1 0 430.596 5.627 40 0 biogenic,in-vitro IKABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081907 518587781 /nfs/dbraw/zinc/58/77/81/518587781.db2.gz WQCKZFODFKODBS-GJZUVCINSA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)c2)cc1 ZINC000020457479 519024076 /nfs/dbraw/zinc/02/40/76/519024076.db2.gz BDRXNQYBLSQNCV-UHFFFAOYSA-N 1 0 440.587 6.063 40 0 IKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000016638169 520093376 /nfs/dbraw/zinc/09/33/76/520093376.db2.gz NBYGMGLSIOJNCG-UHFFFAOYSA-N 1 0 438.381 6.236 40 0 IKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022073876 520708362 /nfs/dbraw/zinc/70/83/62/520708362.db2.gz YKCLYTXSIHOPJP-UHFFFAOYSA-N 1 0 443.990 6.371 40 0 IKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022073874 520709249 /nfs/dbraw/zinc/70/92/49/520709249.db2.gz DARBAPDGJQZJBI-UHFFFAOYSA-N 1 0 443.990 6.515 40 0 IKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1F ZINC000022073878 520709327 /nfs/dbraw/zinc/70/93/27/520709327.db2.gz UCYYMZSSXLBLOL-UHFFFAOYSA-N 1 0 443.990 6.515 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000022076323 520710590 /nfs/dbraw/zinc/71/05/90/520710590.db2.gz UURHRBFDZINPFF-UHFFFAOYSA-N 1 0 436.423 7.174 40 0 IKABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Cl)c1OCc1ccccc1Cl ZINC000022075661 520713413 /nfs/dbraw/zinc/71/34/13/520713413.db2.gz AXFRMDRLKLJNLM-UHFFFAOYSA-N 1 0 425.400 5.403 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689152 520717614 /nfs/dbraw/zinc/71/76/14/520717614.db2.gz NTPMPKIDALSDNO-UHFFFAOYSA-N 1 0 448.365 6.443 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl ZINC000016689271 520721155 /nfs/dbraw/zinc/72/11/55/520721155.db2.gz FLJJNNIQPSPSBN-UHFFFAOYSA-N 1 0 425.912 5.336 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022076743 520722929 /nfs/dbraw/zinc/72/29/29/520722929.db2.gz SCDPXMZDZYFBNE-UHFFFAOYSA-N 1 0 446.374 6.270 40 0 IKABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022074193 520725977 /nfs/dbraw/zinc/72/59/77/520725977.db2.gz RUBVUAIMJXUPEH-KRWDZBQOSA-N 1 0 430.375 6.822 40 0 IKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NC(C)(C)C ZINC000022074213 520729353 /nfs/dbraw/zinc/72/93/53/520729353.db2.gz OPQSEMHRXASYDQ-PYMPDBRZSA-N 1 0 442.644 5.073 40 0 IKABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022074191 520730915 /nfs/dbraw/zinc/73/09/15/520730915.db2.gz SRFXEIZCXBDFRC-QGZVFWFLSA-N 1 0 430.375 6.822 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)CC1 ZINC000022533418 521022635 /nfs/dbraw/zinc/02/26/35/521022635.db2.gz ALGYBGXXMVXTKI-UHFFFAOYSA-N 1 0 435.008 5.374 40 0 IKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1c(F)cccc1Cl ZINC000016196278 522442494 /nfs/dbraw/zinc/44/24/94/522442494.db2.gz VBJDUIFDWQQLIT-UHFFFAOYSA-N 1 0 429.963 6.125 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000016195862 522456557 /nfs/dbraw/zinc/45/65/57/522456557.db2.gz POJOUAOHAOGUJZ-UHFFFAOYSA-N 1 0 444.344 5.508 40 0 IKABRO CCn1c2ccccc2c2cc(C[NH2+]CCCSc3nnnn3-c3ccccc3)ccc21 ZINC000022108349 523274687 /nfs/dbraw/zinc/27/46/87/523274687.db2.gz RQWAQSRAUBPWGP-UHFFFAOYSA-N 1 0 442.592 5.062 40 0 IKABRO CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@]5(CN(C)C6(CC[NH+](C)CC6)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000012661412 523710645 /nfs/dbraw/zinc/71/06/45/523710645.db2.gz YKZPJVAZIXEHHB-KZPPUNKBSA-N 1 0 442.688 5.087 40 0 IKABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000022076790 524072830 /nfs/dbraw/zinc/07/28/30/524072830.db2.gz CJTFOGBBNQXLHM-UHFFFAOYSA-N 1 0 432.347 5.879 40 0 IKABRO Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)[NH+]2CCCCC2)c(C)c1 ZINC000001720316 524245057 /nfs/dbraw/zinc/24/50/57/524245057.db2.gz WMVITKWUIQLBGX-NSOVKSMOSA-N 1 0 427.588 6.737 40 0 IKABRO C[C@H]([NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21)c1ccccc1 ZINC000022074144 525427104 /nfs/dbraw/zinc/42/71/04/525427104.db2.gz BIDJWOPUXJQJJU-SFHVURJKSA-N 1 0 436.382 7.576 40 0 IKABRO C[C@H]([NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000022074156 525427901 /nfs/dbraw/zinc/42/79/01/525427901.db2.gz FTYLWPGVPQOCMZ-INIZCTEOSA-N 1 0 430.773 6.532 40 0 IKABRO Cc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000012461765 525445423 /nfs/dbraw/zinc/44/54/23/525445423.db2.gz YYKZMLDULITNEO-SYVJQLTCSA-N 1 0 449.615 5.357 40 0 IKABRO C[C@@H]([NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21)c1ccccc1 ZINC000022074142 525509731 /nfs/dbraw/zinc/50/97/31/525509731.db2.gz BIDJWOPUXJQJJU-GOSISDBHSA-N 1 0 436.382 7.576 40 0 IKABRO C[C@@H]([NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000022074154 525511008 /nfs/dbraw/zinc/51/10/08/525511008.db2.gz FTYLWPGVPQOCMZ-MRXNPFEDSA-N 1 0 430.773 6.532 40 0 IKABRO C[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000035930630 525673403 /nfs/dbraw/zinc/67/34/03/525673403.db2.gz LBMQWGLSKLHDSA-MQZDDTPHSA-N 1 0 445.606 7.163 40 0 IKABRO Fc1ccc(C(OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022454217 526326543 /nfs/dbraw/zinc/32/65/43/526326543.db2.gz DASHZBBQOARCMQ-QPJJXVBHSA-N 1 0 448.557 5.402 40 0 in-vitro IKABRO c1coc([C@@H]2[C@H](c3ccccc3)[NH2+][C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)c1 ZINC000016478161 526569904 /nfs/dbraw/zinc/56/99/04/526569904.db2.gz DDHXGJCURYWKBG-AYQJTBPPSA-N 1 0 439.558 7.416 40 0 IKABRO Clc1cc(Cl)cc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)c1 ZINC000022108115 526928600 /nfs/dbraw/zinc/92/86/00/526928600.db2.gz DVQHHMYHOWRDAI-UHFFFAOYSA-N 1 0 446.363 5.111 40 0 IKABRO O=c1c(-c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000020503177 527449545 /nfs/dbraw/zinc/44/95/45/527449545.db2.gz YCJRWCVCNYXUPZ-DOTOQJQBSA-N 1 0 430.495 5.215 40 0 biogenic,in-vitro IKABRO CC[C@H](CO)[NH2+]C[C@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000000707004 555545087 /nfs/dbraw/zinc/54/50/87/555545087.db2.gz BXSIGACMNDJOKU-RPBOFIJWSA-N 1 0 442.603 5.314 40 0 IKABRO C[N@H+](Cc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000001583635 555704290 /nfs/dbraw/zinc/70/42/90/555704290.db2.gz ZUCWJCZDTZGBHU-MFMCTBQISA-N 1 0 433.551 6.168 40 0 IKABRO CC[N@@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000001628522 555707025 /nfs/dbraw/zinc/70/70/25/555707025.db2.gz OJDYOYOACQNEAI-VBKZILBWSA-N 1 0 447.189 5.713 40 0 IKABRO COc1cccc2c1nc1c(c2NCCC[NH+](CCC(C)C)CCC(C)C)CCCC1 ZINC000001666878 555708613 /nfs/dbraw/zinc/70/86/13/555708613.db2.gz DMLNZZXLHAZBEJ-UHFFFAOYSA-N 1 0 425.661 6.318 40 0 IKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000005837287 556067301 /nfs/dbraw/zinc/06/73/01/556067301.db2.gz HESVKTOVSJMRKM-GDLZYMKVSA-N 1 0 432.652 7.398 40 0 IKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(-c2ccc(OC)cc2)nc2ccc(Cl)cc21 ZINC000006382043 556086373 /nfs/dbraw/zinc/08/63/73/556086373.db2.gz AHXYZXWIZPCASK-QGZVFWFLSA-N 1 0 426.992 5.881 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000008254533 556155029 /nfs/dbraw/zinc/15/50/29/556155029.db2.gz VZEBQMIWDWIGDN-UHFFFAOYSA-N 1 0 425.956 5.659 40 0 IKABRO CC[NH+](CC)CCC[C@@H](CNc1ccnc2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000008603055 556190999 /nfs/dbraw/zinc/19/09/99/556190999.db2.gz FTCNBUOQORTZBK-IBGZPJMESA-N 1 0 430.423 6.859 40 0 IKABRO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000009235900 556263486 /nfs/dbraw/zinc/26/34/86/556263486.db2.gz CRQSSISIXUBQTB-SVQWOZSSSA-N 1 0 444.377 6.678 40 0 IKABRO C[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013763892 556301888 /nfs/dbraw/zinc/30/18/88/556301888.db2.gz LBMQWGLSKLHDSA-MOBIUZRASA-N 1 0 445.606 7.163 40 0 IKABRO COc1ccc2c(c1)N[C@@]1(COC3(C1)CC[NH+](Cc1cccc(Cl)c1)CC3)c1cccn1-2 ZINC000012086188 556399706 /nfs/dbraw/zinc/39/97/06/556399706.db2.gz HPMNYLUYUDYCMP-SANMLTNESA-N 1 0 449.982 5.215 40 0 IKABRO Cc1onc(C(C)C)c1C(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC(C)(C)C)CC1 ZINC000012087500 556400505 /nfs/dbraw/zinc/40/05/05/556400505.db2.gz DGSMUPYTQMRUAQ-UHFFFAOYSA-N 1 0 441.551 5.123 40 0 IKABRO O=C1[C@H]2[C@H](c3ccccc3)O[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000039580841 556435646 /nfs/dbraw/zinc/43/56/46/556435646.db2.gz IBONGHOLTHILSV-NRKQVIEJSA-N 1 0 445.562 6.387 40 0 IKABRO O=C(NCCSCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039762455 556436575 /nfs/dbraw/zinc/43/65/75/556436575.db2.gz BIQJKPUQVWUNOQ-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039767761 556436941 /nfs/dbraw/zinc/43/69/41/556436941.db2.gz KDVBBNCQWISBQH-UHFFFAOYSA-N 1 0 432.995 5.781 40 0 IKABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)cc1 ZINC000039766691 556437048 /nfs/dbraw/zinc/43/70/48/556437048.db2.gz UXPDWLBWXHMORI-UHFFFAOYSA-N 1 0 435.008 5.049 40 0 IKABRO C[C@H](NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000039773085 556437805 /nfs/dbraw/zinc/43/78/05/556437805.db2.gz NXVSTIMCRANIIG-NRFANRHFSA-N 1 0 441.575 5.028 40 0 IKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 ZINC000039754478 556439149 /nfs/dbraw/zinc/43/91/49/556439149.db2.gz HNUKUSKQDNGEKO-UHFFFAOYSA-N 1 0 434.967 6.291 40 0 IKABRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OCC ZINC000039758703 556441916 /nfs/dbraw/zinc/44/19/16/556441916.db2.gz YBERMLWWFRGPNX-SFHVURJKSA-N 1 0 445.003 5.227 40 0 IKABRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OCC ZINC000039759716 556442236 /nfs/dbraw/zinc/44/22/36/556442236.db2.gz ULAXKWXWHOORHR-SFHVURJKSA-N 1 0 445.003 5.227 40 0 IKABRO Clc1ccc2c(c1)c(-c1ccccc1)nn2CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000028048307 556443045 /nfs/dbraw/zinc/44/30/45/556443045.db2.gz WYCUHAWJCOSJLN-UHFFFAOYSA-N 1 0 445.010 5.959 40 0 IKABRO Cc1cc(I)ccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000030751283 556502924 /nfs/dbraw/zinc/50/29/24/556502924.db2.gz DOAJGDQJIPQZCL-HNNXBMFYSA-N 1 0 448.348 5.084 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)C1 ZINC000030755014 556504441 /nfs/dbraw/zinc/50/44/41/556504441.db2.gz KDXVWMGHYWCOES-OAQYLSRUSA-N 1 0 441.575 5.101 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)C1 ZINC000030755015 556504611 /nfs/dbraw/zinc/50/46/11/556504611.db2.gz KDXVWMGHYWCOES-NRFANRHFSA-N 1 0 441.575 5.101 40 0 IKABRO Cc1cccc2cc(C[N@@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500604 556509420 /nfs/dbraw/zinc/50/94/20/556509420.db2.gz HDZJPZWRVUTDQT-XMMPIXPASA-N 1 0 448.615 5.080 40 0 IKABRO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030943325 556516645 /nfs/dbraw/zinc/51/66/45/556516645.db2.gz POMHTLROKNOQMD-HXUWFJFHSA-N 1 0 428.960 5.148 40 0 IKABRO O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030947138 556517195 /nfs/dbraw/zinc/51/71/95/556517195.db2.gz GJNMXNSCTLHCSW-UHFFFAOYSA-N 1 0 442.647 6.783 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)ccc21 ZINC000030945339 556517216 /nfs/dbraw/zinc/51/72/16/556517216.db2.gz UIPADXPAQSJXSN-UHFFFAOYSA-N 1 0 425.576 6.443 40 0 IKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(N)=[NH2+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000031371262 556523344 /nfs/dbraw/zinc/52/33/44/556523344.db2.gz TVHARYBPHHUEHF-JDTILAPWSA-N 1 0 444.773 8.023 40 0 IKABRO Cc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1Cl ZINC000013634056 556540130 /nfs/dbraw/zinc/54/01/30/556540130.db2.gz WILODQGANPXEHV-UHFFFAOYSA-N 1 0 434.352 5.136 40 0 IKABRO COc1ccc([C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)[NH+]2CCCCCC2)cc1 ZINC000032555784 556540956 /nfs/dbraw/zinc/54/09/56/556540956.db2.gz AKCXOIYBJBFTIZ-OAQYLSRUSA-N 1 0 435.996 5.391 40 0 IKABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000033541891 556565548 /nfs/dbraw/zinc/56/55/48/556565548.db2.gz XLWFWQMRMCBPCK-XMMPIXPASA-N 1 0 443.031 5.258 40 0 IKABRO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016163130 556586978 /nfs/dbraw/zinc/58/69/78/556586978.db2.gz KYWGILXBBWBZBE-UHFFFAOYSA-N 1 0 431.791 5.276 40 0 IKABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195660 556590149 /nfs/dbraw/zinc/59/01/49/556590149.db2.gz UVNKJYMVPCEQQN-UHFFFAOYSA-N 1 0 437.754 5.919 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1Cl ZINC000016195829 556590434 /nfs/dbraw/zinc/59/04/34/556590434.db2.gz JDMQPEPJEJXIGS-UHFFFAOYSA-N 1 0 446.330 5.600 40 0 IKABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196303 556590678 /nfs/dbraw/zinc/59/06/78/556590678.db2.gz BWNNKPIZXIHJEG-OAQYLSRUSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214717 556591439 /nfs/dbraw/zinc/59/14/39/556591439.db2.gz VMWGSERQIAUDPH-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228248 556593520 /nfs/dbraw/zinc/59/35/20/556593520.db2.gz CNWSKEBJMFZMBZ-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO Fc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000016449528 556608954 /nfs/dbraw/zinc/60/89/54/556608954.db2.gz MVJUIABXIOQOKI-UHFFFAOYSA-N 1 0 438.757 6.697 40 0 IKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccccc2)c(Cl)c1 ZINC000016479305 556611204 /nfs/dbraw/zinc/61/12/04/556611204.db2.gz BSNZNQYOAJTFSQ-UHFFFAOYSA-N 1 0 436.382 7.058 40 0 IKABRO Clc1ccc(COc2cccc(C[NH2+]CCc3c[nH]c4ccccc34)c2)c(Cl)c1 ZINC000016525356 556614086 /nfs/dbraw/zinc/61/40/86/556614086.db2.gz VGRWTZNFELFZDF-UHFFFAOYSA-N 1 0 425.359 6.386 40 0 IKABRO COc1ccc(C[C@]2(C)C[N@@H+](C(c3ccccc3)c3ccccc3)CCN2C)cc1OC ZINC000038655326 556615247 /nfs/dbraw/zinc/61/52/47/556615247.db2.gz HBIDWFPFQACMBQ-MUUNZHRXSA-N 1 0 430.592 5.042 40 0 in-man IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1 ZINC000038753251 556616321 /nfs/dbraw/zinc/61/63/21/556616321.db2.gz SJWOKKFWSDUUDT-LJQANCHMSA-N 1 0 434.967 6.617 40 0 IKABRO C[C@]12CC3CC([NH2+]Cc4c(OCc5ccccc5F)ccc5ccccc54)(C1)C[C@@](C)(C3)C2 ZINC000016605738 556617013 /nfs/dbraw/zinc/61/70/13/556617013.db2.gz NPPLZTDIIFWTHX-NBXSJDBDSA-N 1 0 443.606 7.397 40 0 IKABRO COc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OCc1ccccc1Cl ZINC000016606138 556617059 /nfs/dbraw/zinc/61/70/59/556617059.db2.gz FRFWBGPUELLYEW-YFKJYVEOSA-N 1 0 440.027 6.766 40 0 IKABRO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016611390 556618294 /nfs/dbraw/zinc/61/82/94/556618294.db2.gz AUEQTGYZSLHILG-MRXNPFEDSA-N 1 0 433.173 5.195 40 0 IKABRO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016611388 556618335 /nfs/dbraw/zinc/61/83/35/556618335.db2.gz AUEQTGYZSLHILG-INIZCTEOSA-N 1 0 433.173 5.195 40 0 IKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000016638148 556619179 /nfs/dbraw/zinc/61/91/79/556619179.db2.gz YLZZEZVASKXHLS-UHFFFAOYSA-N 1 0 440.809 6.360 40 0 IKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000016638531 556619187 /nfs/dbraw/zinc/61/91/87/556619187.db2.gz ZGQXHQUKFJVJRO-UHFFFAOYSA-N 1 0 426.782 5.970 40 0 IKABRO CCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016638537 556619462 /nfs/dbraw/zinc/61/94/62/556619462.db2.gz FUDNZUBPWGPLLP-UHFFFAOYSA-N 1 0 431.201 6.615 40 0 IKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038851472 556625062 /nfs/dbraw/zinc/62/50/62/556625062.db2.gz IKBIIAWCFQAXCE-UHFFFAOYSA-N 1 0 430.617 6.607 40 0 IKABRO CCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016687994 556625706 /nfs/dbraw/zinc/62/57/06/556625706.db2.gz QELVESDTWFCOAP-UHFFFAOYSA-N 1 0 447.200 5.851 40 0 IKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038860826 556626334 /nfs/dbraw/zinc/62/63/34/556626334.db2.gz UMQCYFCFIGXDFF-LJQANCHMSA-N 1 0 438.930 6.122 40 0 IKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038860859 556626347 /nfs/dbraw/zinc/62/63/47/556626347.db2.gz BWBWLSCZMPSAAS-UHFFFAOYSA-N 1 0 434.967 6.761 40 0 IKABRO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688507 556626362 /nfs/dbraw/zinc/62/63/62/556626362.db2.gz WMWOYLDAEDJEPM-UHFFFAOYSA-N 1 0 445.332 5.251 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688482 556626369 /nfs/dbraw/zinc/62/63/69/556626369.db2.gz NQSUVNYEWZGZIO-UHFFFAOYSA-N 1 0 436.365 5.988 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688699 556626708 /nfs/dbraw/zinc/62/67/08/556626708.db2.gz ZSEPTJLKIKHHFG-UHFFFAOYSA-N 1 0 434.338 6.400 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl ZINC000016688697 556626729 /nfs/dbraw/zinc/62/67/29/556626729.db2.gz BLRKKTFUIQVCFZ-UHFFFAOYSA-N 1 0 448.365 6.443 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688693 556626739 /nfs/dbraw/zinc/62/67/39/556626739.db2.gz UKAUSAXXEJDZEU-UHFFFAOYSA-N 1 0 448.365 6.443 40 0 IKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000016688742 556626984 /nfs/dbraw/zinc/62/69/84/556626984.db2.gz JCYSSTZVGRHVSD-JOCHJYFZSA-N 1 0 429.919 5.280 40 0 IKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 ZINC000016689075 556627001 /nfs/dbraw/zinc/62/70/01/556627001.db2.gz IIQBAICCIVDSKM-UHFFFAOYSA-N 1 0 434.967 6.131 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000016688749 556627077 /nfs/dbraw/zinc/62/70/77/556627077.db2.gz OZYPGJZCXLHBPL-UHFFFAOYSA-N 1 0 443.946 5.798 40 0 IKABRO C[C@@H]([C@H](O)c1ccccc1)[NH+]1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016697373 556628845 /nfs/dbraw/zinc/62/88/45/556628845.db2.gz LFQIYONICSBQHG-CUNXSJBXSA-N 1 0 444.575 5.416 40 0 IKABRO C[C@H]([C@H](O)c1ccccc1)[NH+]1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016697375 556629137 /nfs/dbraw/zinc/62/91/37/556629137.db2.gz LFQIYONICSBQHG-AMGIVPHBSA-N 1 0 444.575 5.416 40 0 IKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044786483 556667648 /nfs/dbraw/zinc/66/76/48/556667648.db2.gz SGEKAWDWAMZKHF-OAQYLSRUSA-N 1 0 444.644 6.772 40 0 IKABRO CCCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044851542 556670563 /nfs/dbraw/zinc/67/05/63/556670563.db2.gz TXMZLFPPONXGKV-QFIPXVFZSA-N 1 0 429.004 5.090 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044855429 556671682 /nfs/dbraw/zinc/67/16/82/556671682.db2.gz HPQIPCUTZLBFIS-SANMLTNESA-N 1 0 440.587 5.586 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044855325 556671697 /nfs/dbraw/zinc/67/16/97/556671697.db2.gz OAAGBHZUELTVFN-KNQAVFIVSA-N 1 0 426.988 5.279 40 0 IKABRO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044916557 556681571 /nfs/dbraw/zinc/68/15/71/556681571.db2.gz GPXNRSBGYZXZCH-UHFFFAOYSA-N 1 0 442.603 5.395 40 0 IKABRO O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044917320 556681583 /nfs/dbraw/zinc/68/15/83/556681583.db2.gz CKNZXCKMZLYROW-UHFFFAOYSA-N 1 0 426.560 5.819 40 0 IKABRO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044937740 556682975 /nfs/dbraw/zinc/68/29/75/556682975.db2.gz LCUJQHZZILIEHY-PMERELPUSA-N 1 0 446.594 6.073 40 0 IKABRO COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044937099 556683009 /nfs/dbraw/zinc/68/30/09/556683009.db2.gz RSIAANWTGKPVES-ZJSXRUAMSA-N 1 0 429.004 5.464 40 0 IKABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1Cl ZINC000044939862 556683318 /nfs/dbraw/zinc/68/33/18/556683318.db2.gz MMWZGPXNGFAKLB-UHFFFAOYSA-N 1 0 435.351 5.021 40 0 IKABRO Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccc(F)cc4Cl)c3)oc2c(C)c1 ZINC000226308488 556684198 /nfs/dbraw/zinc/68/41/98/556684198.db2.gz DOVYLQCKVOBBGQ-UHFFFAOYSA-N 1 0 446.727 6.002 40 0 IKABRO C=C1[NH+]=C(SCc2ccc(Br)cc2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408987163 556690966 /nfs/dbraw/zinc/69/09/66/556690966.db2.gz DVCIGMDEUCOXNG-LJQANCHMSA-N 1 0 445.382 5.220 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019082053 556697015 /nfs/dbraw/zinc/69/70/15/556697015.db2.gz LNOTYRPWWXFJKM-AREMUKBSSA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc2ncccc12)c1ccccn1 ZINC000019082767 556697418 /nfs/dbraw/zinc/69/74/18/556697418.db2.gz ZBVJBBPYESHMOH-BKMJKUGQSA-N 1 0 444.623 5.668 40 0 IKABRO Cc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 ZINC000019219729 556714065 /nfs/dbraw/zinc/71/40/65/556714065.db2.gz ZWROJRGVUNUVNA-IZZNHLLZSA-N 1 0 442.559 5.014 40 0 IKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236834 556721473 /nfs/dbraw/zinc/72/14/73/556721473.db2.gz OMCGVHHFEZRBJQ-ATIYNZHBSA-N 1 0 443.591 5.090 40 0 IKABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019236813 556721599 /nfs/dbraw/zinc/72/15/99/556721599.db2.gz ADGJBNCZRZMHMZ-NLFFAJNJSA-N 1 0 435.518 5.052 40 0 IKABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(C)c1C ZINC000019239789 556725633 /nfs/dbraw/zinc/72/56/33/556725633.db2.gz UKAKYRXTUVMUFK-DEOSSOPVSA-N 1 0 445.611 5.266 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CC[NH+](Cc4ccncc4)CC3)n2)c1 ZINC000019294177 556734270 /nfs/dbraw/zinc/73/42/70/556734270.db2.gz XKKDNBJGQGZHAK-UHFFFAOYSA-N 1 0 440.526 5.196 40 0 IKABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCC[N@@H+]3C[C@@H]3CCOC3)nn21 ZINC000019344165 556742042 /nfs/dbraw/zinc/74/20/42/556742042.db2.gz ZZEZIEAAAHYMJO-YOEHRIQHSA-N 1 0 436.503 5.040 40 0 IKABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019347736 556743545 /nfs/dbraw/zinc/74/35/45/556743545.db2.gz LHJHDPOETRCZDD-KCZVDYSFSA-N 1 0 426.582 5.079 40 0 IKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019369012 556746861 /nfs/dbraw/zinc/74/68/61/556746861.db2.gz FSKBFJNJSSKAJW-FIXSFTCYSA-N 1 0 437.008 5.532 40 0 IKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019368999 556746873 /nfs/dbraw/zinc/74/68/73/556746873.db2.gz XUSDWBXVIPFFBE-HJOGWXRNSA-N 1 0 437.008 5.532 40 0 IKABRO O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000019400252 556752833 /nfs/dbraw/zinc/75/28/33/556752833.db2.gz YDZKKHWYUPUBSH-VDKIKQQVSA-N 1 0 449.957 5.004 40 0 IKABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400666 556753043 /nfs/dbraw/zinc/75/30/43/556753043.db2.gz IJYQIGXWGGCOGZ-HOFKKMOUSA-N 1 0 447.623 5.273 40 0 IKABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400669 556753322 /nfs/dbraw/zinc/75/33/22/556753322.db2.gz IJYQIGXWGGCOGZ-WNCULLNHSA-N 1 0 447.623 5.273 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000019401695 556753866 /nfs/dbraw/zinc/75/38/66/556753866.db2.gz UXUNIZPJHPCJDN-HXUWFJFHSA-N 1 0 440.526 5.196 40 0 IKABRO CC(C)Oc1ccc(C[NH+]2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 ZINC000019450602 556761428 /nfs/dbraw/zinc/76/14/28/556761428.db2.gz SZNDIVOHKMRXMW-RUZDIDTESA-N 1 0 449.620 5.314 40 0 IKABRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019453278 556763999 /nfs/dbraw/zinc/76/39/99/556763999.db2.gz VLYYCYJHHNVRDS-GSDHBNRESA-N 1 0 445.632 5.397 40 0 IKABRO CC(C)n1cc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c2ccccc21 ZINC000019454803 556764879 /nfs/dbraw/zinc/76/48/79/556764879.db2.gz SOPKNZRLDLWPMN-AREMUKBSSA-N 1 0 446.639 5.733 40 0 IKABRO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000019522097 556779489 /nfs/dbraw/zinc/77/94/89/556779489.db2.gz WLDQDOSYBBGKJO-UHFFFAOYSA-N 1 0 449.473 5.201 40 0 IKABRO CCOc1cc(C[NH+]2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)ccc1OC ZINC000019531932 556792329 /nfs/dbraw/zinc/79/23/29/556792329.db2.gz PUEDSJZKINZQHK-UHFFFAOYSA-N 1 0 449.473 5.337 40 0 IKABRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C2CCCCC2)cc1 ZINC000019555445 556798279 /nfs/dbraw/zinc/79/82/79/556798279.db2.gz CZOFHFXAZVEDAD-UBFVSLLYSA-N 1 0 438.637 5.154 40 0 IKABRO COc1cc(C)c(C[N@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC ZINC000019567014 556807271 /nfs/dbraw/zinc/80/72/71/556807271.db2.gz GWGUQWUTUGNCKT-XUZZJYLKSA-N 1 0 435.568 5.117 40 0 IKABRO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 ZINC000019581653 556819629 /nfs/dbraw/zinc/81/96/29/556819629.db2.gz SNFHUXMLVXTTSW-JWQCQUIFSA-N 1 0 442.559 5.014 40 0 IKABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000004971405 556826365 /nfs/dbraw/zinc/82/63/65/556826365.db2.gz FMOSXWGMOAQLCW-QZTJIDSGSA-N 1 0 427.589 5.273 40 0 IKABRO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000004971403 556826398 /nfs/dbraw/zinc/82/63/98/556826398.db2.gz FMOSXWGMOAQLCW-ROUUACIJSA-N 1 0 427.589 5.273 40 0 IKABRO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)[N@@H+]2Cc1ccccc1 ZINC000004981600 556826465 /nfs/dbraw/zinc/82/64/65/556826465.db2.gz ABUKBCAATVFRLI-NRLAXTHWSA-N 1 0 427.544 5.441 40 0 IKABRO CC[NH+](CC)CCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(OC)cc3)nn21 ZINC000004980519 556826493 /nfs/dbraw/zinc/82/64/93/556826493.db2.gz LKPVTAPNCRCDPN-UHFFFAOYSA-N 1 0 429.568 5.216 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 ZINC000006511318 556838193 /nfs/dbraw/zinc/83/81/93/556838193.db2.gz SOPYDXGBRJTXTE-UHFFFAOYSA-N 1 0 449.664 6.486 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1 ZINC000006511319 556838213 /nfs/dbraw/zinc/83/82/13/556838213.db2.gz CVJRQLXNVYZDCP-UHFFFAOYSA-N 1 0 428.001 5.842 40 0 IKABRO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000019687422 556841923 /nfs/dbraw/zinc/84/19/23/556841923.db2.gz KRDDMDGBAAWLPX-DEOSSOPVSA-N 1 0 427.527 5.234 40 0 IKABRO Cc1c(C[NH+]2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)cnn1C ZINC000019690493 556846476 /nfs/dbraw/zinc/84/64/76/556846476.db2.gz SYDALLCEXOSNAX-UHFFFAOYSA-N 1 0 428.502 5.113 40 0 IKABRO COCc1cc(C[NH+]2CCC(c3cc(-c4cncnc4)cc(C)n3)CC2)ccc1OC(C)C ZINC000019692131 556848190 /nfs/dbraw/zinc/84/81/90/556848190.db2.gz MBXAPOWCLNMNQL-UHFFFAOYSA-N 1 0 446.595 5.160 40 0 IKABRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000068605836 556849085 /nfs/dbraw/zinc/84/90/85/556849085.db2.gz LOYPQZORHAMORO-UHFFFAOYSA-N 1 0 436.559 5.170 40 0 IKABRO Cc1nn(-c2ccccn2)c2nc([C@@H]3CCC[N@H+]3Cc3c(C)[nH]c4ccc(F)cc43)ccc12 ZINC000019742446 556886494 /nfs/dbraw/zinc/88/64/94/556886494.db2.gz YWEMIEDLZBCAGE-DEOSSOPVSA-N 1 0 440.526 5.390 40 0 IKABRO Cc1nn(-c2ccccn2)c2nc([C@H]3CCC[N@H+]3Cc3cn(C)c4ccc(F)cc34)ccc12 ZINC000019742438 556886506 /nfs/dbraw/zinc/88/65/06/556886506.db2.gz BQTGMLDEOKJJMJ-XMMPIXPASA-N 1 0 440.526 5.092 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000072330429 556905419 /nfs/dbraw/zinc/90/54/19/556905419.db2.gz SJVXRBDLXUORKH-CLOONOSVSA-N 1 0 444.604 5.018 40 0 IKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330477 556905866 /nfs/dbraw/zinc/90/58/66/556905866.db2.gz NEXFORKBUORCEF-PQPYZNTLSA-N 1 0 439.603 5.297 40 0 IKABRO C=C1[NH+]=C(SCc2ccccc2)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408985185 556908959 /nfs/dbraw/zinc/90/89/59/556908959.db2.gz ADDCNVXGJWPXIT-LJQANCHMSA-N 1 0 445.382 5.220 40 0 IKABRO CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)o1 ZINC000072344950 556916325 /nfs/dbraw/zinc/91/63/25/556916325.db2.gz JLRQXDPLWPVGJR-NRFANRHFSA-N 1 0 445.007 5.202 40 0 IKABRO COc1ccc2c(C[N@@H+]3CC[C@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352284 556923641 /nfs/dbraw/zinc/92/36/41/556923641.db2.gz STFOPRNKEOINDS-KRWDZBQOSA-N 1 0 447.604 5.093 40 0 IKABRO COc1ccc2c(C[N@@H+]3CC[C@@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352285 556923666 /nfs/dbraw/zinc/92/36/66/556923666.db2.gz STFOPRNKEOINDS-QGZVFWFLSA-N 1 0 447.604 5.093 40 0 IKABRO CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000072352642 556924770 /nfs/dbraw/zinc/92/47/70/556924770.db2.gz GAOFMGONUJYGJG-FQEVSTJZSA-N 1 0 447.604 5.085 40 0 IKABRO OCCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Nc3ccc(F)cn3)cn2)c2ccccc21 ZINC000072353189 556925828 /nfs/dbraw/zinc/92/58/28/556925828.db2.gz HETZVIQGCYTTBZ-VWLOTQADSA-N 1 0 445.542 5.034 40 0 IKABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1Cc1ccc2cccc(OC)c2n1 ZINC000072370373 556934700 /nfs/dbraw/zinc/93/47/00/556934700.db2.gz JLHIVEAWVNSLLS-IBGZPJMESA-N 1 0 445.588 5.025 40 0 IKABRO C[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)N4CCC5(C4)CCCCC5)CCOCC3)c2)C1 ZINC000072372261 556941840 /nfs/dbraw/zinc/94/18/40/556941840.db2.gz CJGKMZUIZPGCDH-VWLOTQADSA-N 1 0 438.656 5.018 40 0 IKABRO CCOc1ccc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)[nH+]2)cc1CO ZINC000072372714 556943877 /nfs/dbraw/zinc/94/38/77/556943877.db2.gz XTDOADFSLXYUBT-JOCHJYFZSA-N 1 0 438.597 5.127 40 0 IKABRO Cc1nc2ccc(C(=O)N3CCC[C@@H](c4cc(Nc5ccccn5)cc(C)[nH+]4)C3)cc2s1 ZINC000072374987 556949670 /nfs/dbraw/zinc/94/96/70/556949670.db2.gz GIALTWDGSHXDEX-LJQANCHMSA-N 1 0 443.576 5.467 40 0 IKABRO Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4cc(Nc5ncccc5C)cc(C)[nH+]4)C3)c2c1 ZINC000072375077 556950726 /nfs/dbraw/zinc/95/07/26/556950726.db2.gz WSNYIUZMMNEQNI-IBGZPJMESA-N 1 0 440.551 5.042 40 0 IKABRO Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)n2)n1 ZINC000072375696 556952672 /nfs/dbraw/zinc/95/26/72/556952672.db2.gz HNMZQMJLOLQYBN-LJQANCHMSA-N 1 0 441.645 5.201 40 0 IKABRO COCc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)ccc1OC(C)C ZINC000072375843 556953264 /nfs/dbraw/zinc/95/32/64/556953264.db2.gz BCVAAKQKDOUWMU-OAQYLSRUSA-N 1 0 438.597 5.552 40 0 IKABRO CCc1nnc(Nc2cccc([C@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)s1 ZINC000072376046 556953843 /nfs/dbraw/zinc/95/38/43/556953843.db2.gz RTMCBCOKGAFNMD-IBGZPJMESA-N 1 0 430.581 5.167 40 0 IKABRO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cc1 ZINC000072376621 556955042 /nfs/dbraw/zinc/95/50/42/556955042.db2.gz ZJZRLUMPFICWKE-HSZRJFAPSA-N 1 0 449.986 5.159 40 0 IKABRO Cc1c(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccc(C)cc12 ZINC000072394603 556965871 /nfs/dbraw/zinc/96/58/71/556965871.db2.gz IINWLOKNNJHZFI-JOCHJYFZSA-N 1 0 439.625 5.622 40 0 IKABRO CC(C)Oc1cccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c1 ZINC000072394604 556965934 /nfs/dbraw/zinc/96/59/34/556965934.db2.gz RKKLZKVPZSEXEM-NRFANRHFSA-N 1 0 429.630 5.046 40 0 IKABRO CCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000072398617 556970240 /nfs/dbraw/zinc/97/02/40/556970240.db2.gz HPMDLLFMLUYPQP-GJZUVCINSA-N 1 0 449.639 5.085 40 0 IKABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000072398613 556970301 /nfs/dbraw/zinc/97/03/01/556970301.db2.gz NPLWUADKUOXYNA-NVQXNPDNSA-N 1 0 449.639 5.085 40 0 IKABRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000408575205 557042298 /nfs/dbraw/zinc/04/22/98/557042298.db2.gz HGVPUPDFDQXTQT-UHFFFAOYSA-N 1 0 444.884 6.169 40 0 IKABRO COc1cc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(OC)cc1Cl ZINC000408576087 557045502 /nfs/dbraw/zinc/04/55/02/557045502.db2.gz RIHCKJAUZYGXQC-UHFFFAOYSA-N 1 0 436.939 5.168 40 0 IKABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 ZINC000216839529 557157434 /nfs/dbraw/zinc/15/74/34/557157434.db2.gz RZZCGPHSEQOMKY-GJZGRUSLSA-N 1 0 446.332 5.577 40 0 IKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1cccs1 ZINC000008254729 557168903 /nfs/dbraw/zinc/16/89/03/557168903.db2.gz SKVASOVXBWTZAQ-FMLGTGLNSA-N 1 0 425.638 6.564 40 0 IKABRO O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000096203004 557182795 /nfs/dbraw/zinc/18/27/95/557182795.db2.gz XTLDQGOPZKTXDA-UHFFFAOYSA-N 1 0 436.905 5.026 40 0 IKABRO O=C(Cc1ccc(Cl)cc1)N1CCC2(C[NH+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC000096202441 557182903 /nfs/dbraw/zinc/18/29/03/557182903.db2.gz PTGVOZMCVLPCTJ-UHFFFAOYSA-N 1 0 445.006 5.249 40 0 IKABRO O=C(Cc1ccc(Cl)cc1)N1CCC2(C[NH+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096202442 557182966 /nfs/dbraw/zinc/18/29/66/557182966.db2.gz QJBYJMDJUHHSLC-UHFFFAOYSA-N 1 0 430.979 5.284 40 0 IKABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(C)c1C ZINC000096315920 557198379 /nfs/dbraw/zinc/19/83/79/557198379.db2.gz UKAKYRXTUVMUFK-XMMPIXPASA-N 1 0 445.611 5.266 40 0 IKABRO Fc1ccc(C2(CCC[N@@H+]3CCC[C@@]4(C3)Nc3ccccc3-n3cccc34)OCCO2)cc1 ZINC000057719649 557259260 /nfs/dbraw/zinc/25/92/60/557259260.db2.gz YAGZFKJJNCUVJW-SANMLTNESA-N 1 0 447.554 5.013 40 0 IKABRO O=C(C1CCCC1)N1CCc2c3ccccc3[nH]c2C12CC[NH+](Cc1ccccc1)CC2 ZINC000057731753 557260013 /nfs/dbraw/zinc/26/00/13/557260013.db2.gz GZIMCAVPTKANBZ-UHFFFAOYSA-N 1 0 427.592 5.234 40 0 IKABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000100688434 557269835 /nfs/dbraw/zinc/26/98/35/557269835.db2.gz UZGUXJWZTDQMON-CALCHBBNSA-N 1 0 430.577 5.007 40 0 IKABRO CCc1cccc(CC)c1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960358 557272357 /nfs/dbraw/zinc/27/23/57/557272357.db2.gz QFZFEBWDRJEUBF-UHFFFAOYSA-N 1 0 440.631 6.518 40 0 IKABRO CC(C)Oc1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219961221 557272704 /nfs/dbraw/zinc/27/27/04/557272704.db2.gz JBHYALMZDQLBCA-UHFFFAOYSA-N 1 0 442.603 6.181 40 0 IKABRO CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063839 557278704 /nfs/dbraw/zinc/27/87/04/557278704.db2.gz FMDVLGNSTQQKMI-DEOSSOPVSA-N 1 0 448.615 5.224 40 0 IKABRO C[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000102673748 557305194 /nfs/dbraw/zinc/30/51/94/557305194.db2.gz LBMQWGLSKLHDSA-QOTGBRPGSA-N 1 0 445.606 7.163 40 0 IKABRO Cc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500626 557324050 /nfs/dbraw/zinc/32/40/50/557324050.db2.gz ZYOSCURQRURKSH-XMMPIXPASA-N 1 0 448.615 5.080 40 0 IKABRO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500097 557329882 /nfs/dbraw/zinc/32/98/82/557329882.db2.gz FCMQLBSZLNMPDC-HSZRJFAPSA-N 1 0 448.615 5.224 40 0 IKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000072215649 557341247 /nfs/dbraw/zinc/34/12/47/557341247.db2.gz NHEHBBNTMXMKSA-XMMPIXPASA-N 1 0 435.612 6.493 40 0 IKABRO COc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013565510 557342242 /nfs/dbraw/zinc/34/22/42/557342242.db2.gz QRTLXOJEXKEIDT-ONEGZZNKSA-O 1 0 444.338 5.014 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215672 557342625 /nfs/dbraw/zinc/34/26/25/557342625.db2.gz KXOBNANCGZVSSZ-XMMPIXPASA-N 1 0 435.612 6.493 40 0 IKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000072215731 557342639 /nfs/dbraw/zinc/34/26/39/557342639.db2.gz WQIXAQMZOFEMDC-DEOSSOPVSA-N 1 0 435.612 6.493 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215792 557342686 /nfs/dbraw/zinc/34/26/86/557342686.db2.gz WTHVZZBIDYHXQQ-XMMPIXPASA-N 1 0 429.564 6.492 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000072345030 557377386 /nfs/dbraw/zinc/37/73/86/557377386.db2.gz NWDPYSQPOZHFJJ-UHFFFAOYSA-N 1 0 427.592 5.098 40 0 IKABRO C[NH+]1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000222730463 557380359 /nfs/dbraw/zinc/38/03/59/557380359.db2.gz SZVOPQWRMBZFEA-UHFFFAOYSA-N 1 0 439.408 5.338 40 0 IKABRO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958690 557381588 /nfs/dbraw/zinc/38/15/88/557381588.db2.gz MMWIUZMVPYNMFA-UHFFFAOYSA-N 1 0 442.603 5.470 40 0 IKABRO O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958805 557381731 /nfs/dbraw/zinc/38/17/31/557381731.db2.gz IQEFWZFCLBGLQZ-LJAQVGFWSA-N 1 0 438.615 5.949 40 0 IKABRO CCOc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113958695 557381767 /nfs/dbraw/zinc/38/17/67/557381767.db2.gz DGCCYQPOZUWLPS-UHFFFAOYSA-N 1 0 442.603 5.470 40 0 IKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000113958917 557381929 /nfs/dbraw/zinc/38/19/29/557381929.db2.gz JSOMSHHSRPNRLN-XMMPIXPASA-N 1 0 440.631 6.249 40 0 IKABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349946 557385019 /nfs/dbraw/zinc/38/50/19/557385019.db2.gz FHUZNYPWEJFYRB-HSZRJFAPSA-N 1 0 429.564 5.019 40 0 IKABRO Cn1cc(CCC(=O)N2CCC[C@@H]2c2ccc(C[NH2+]C3CCCCC3)cn2)c2ccccc21 ZINC000072355738 557387394 /nfs/dbraw/zinc/38/73/94/557387394.db2.gz QZICSTDDVJKPEC-HHHXNRCGSA-N 1 0 444.623 5.292 40 0 IKABRO Cn1cc(CCC(=O)NCc2ccc([C@H]3CCC[N@@H+]3C3CCCCC3)nc2)c2ccccc21 ZINC000072355725 557387432 /nfs/dbraw/zinc/38/74/32/557387432.db2.gz FSLNXRHNMZLQBR-HHHXNRCGSA-N 1 0 444.623 5.292 40 0 IKABRO 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 557405794 /nfs/dbraw/zinc/40/57/94/557405794.db2.gz GRMUAQMHJKQVFL-XQVDLDROSA-N 1 0 427.673 5.629 40 0 IKABRO O[C@@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000040373149 557414589 /nfs/dbraw/zinc/41/45/89/557414589.db2.gz RMJLQRSZYAFFRM-MUUNZHRXSA-N 1 0 429.604 5.151 40 0 IKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019428 557416092 /nfs/dbraw/zinc/41/60/92/557416092.db2.gz HQPFIWZAGUNCAC-LJAQVGFWSA-N 1 0 438.615 6.005 40 0 IKABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000223123406 557434868 /nfs/dbraw/zinc/43/48/68/557434868.db2.gz XFEFREDSUKETQO-ILBGXUMGSA-N 1 0 425.016 5.698 40 0 IKABRO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016322891 557472556 /nfs/dbraw/zinc/47/25/56/557472556.db2.gz OINBUUHOYPVYFY-UHFFFAOYSA-N 1 0 447.200 6.232 40 0 IKABRO c1ccc([C@@H]2[NH2+][C@@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@H]2c2ccccc2)cc1 ZINC000016478179 557474242 /nfs/dbraw/zinc/47/42/42/557474242.db2.gz CXHSWOPDKRTKSI-ZDCRTTOTSA-N 1 0 449.597 7.823 40 0 IKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(Cl)c1 ZINC000016576191 557474423 /nfs/dbraw/zinc/47/44/23/557474423.db2.gz NNYQKWKGRSFOHD-BYMHFINISA-N 1 0 440.027 6.622 40 0 IKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000016688064 557475212 /nfs/dbraw/zinc/47/52/12/557475212.db2.gz URXBFYVJLAWLTD-UHFFFAOYSA-N 1 0 443.223 5.669 40 0 IKABRO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688425 557475431 /nfs/dbraw/zinc/47/54/31/557475431.db2.gz VNIGWNNSJDRFFR-UHFFFAOYSA-N 1 0 426.782 5.826 40 0 IKABRO O=C(NCCOc1cccc2ccccc21)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223509630 557480681 /nfs/dbraw/zinc/48/06/81/557480681.db2.gz ZCBWELYADUOEMP-UHFFFAOYSA-N 1 0 436.555 5.207 40 0 IKABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000017094309 557484194 /nfs/dbraw/zinc/48/41/94/557484194.db2.gz OLEBXVMOHVQXQV-UHFFFAOYSA-N 1 0 425.326 5.557 40 0 IKABRO CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000223656681 557498250 /nfs/dbraw/zinc/49/82/50/557498250.db2.gz HAOGGJSMBMGUJB-FQEVSTJZSA-N 1 0 429.004 5.045 40 0 IKABRO CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000223656622 557498336 /nfs/dbraw/zinc/49/83/36/557498336.db2.gz HAOGGJSMBMGUJB-HXUWFJFHSA-N 1 0 429.004 5.045 40 0 IKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000019639112 557503534 /nfs/dbraw/zinc/50/35/34/557503534.db2.gz OISNGQLTZZNIKM-UHFFFAOYSA-N 1 0 443.616 5.318 40 0 IKABRO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000223717238 557505603 /nfs/dbraw/zinc/50/56/03/557505603.db2.gz YVBFUVDQXHHWSX-UHFFFAOYSA-N 1 0 429.004 5.045 40 0 IKABRO CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000020241899 557519532 /nfs/dbraw/zinc/51/95/32/557519532.db2.gz QXDAUYFCJBLGHX-UHFFFAOYSA-N 1 0 428.576 5.792 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)CC1 ZINC000223881929 557524826 /nfs/dbraw/zinc/52/48/26/557524826.db2.gz MSAGEJRGHNAFCO-UHFFFAOYSA-N 1 0 426.973 5.343 40 0 IKABRO Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1C ZINC000224259999 557582174 /nfs/dbraw/zinc/58/21/74/557582174.db2.gz GIILFJAXNVQRPR-BJKOFHAPSA-N 1 0 425.561 5.061 40 0 IKABRO Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224292483 557586455 /nfs/dbraw/zinc/58/64/55/557586455.db2.gz GLVOZFZPKDPEDS-RPWUZVMVSA-N 1 0 425.561 5.061 40 0 IKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000224345736 557595197 /nfs/dbraw/zinc/59/51/97/557595197.db2.gz DOYXRQWPDJCNCK-UHFFFAOYSA-N 1 0 426.973 5.018 40 0 IKABRO CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224359808 557597793 /nfs/dbraw/zinc/59/77/93/557597793.db2.gz AGCWCNFGRILBDD-DQEYMECFSA-N 1 0 439.588 5.568 40 0 IKABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224534722 557617801 /nfs/dbraw/zinc/61/78/01/557617801.db2.gz BVAQJPGTEDWMAZ-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000224537285 557618034 /nfs/dbraw/zinc/61/80/34/557618034.db2.gz WRYGEUATYHCNOI-UHFFFAOYSA-N 1 0 429.004 5.045 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000224622396 557632154 /nfs/dbraw/zinc/63/21/54/557632154.db2.gz MEPMKFXQQPUGSA-UHFFFAOYSA-N 1 0 446.616 5.384 40 0 IKABRO O=C(CSCc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224695856 557641355 /nfs/dbraw/zinc/64/13/55/557641355.db2.gz KTBAJTAALWSMNK-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224792502 557651719 /nfs/dbraw/zinc/65/17/19/557651719.db2.gz UYOJKHNIFRRPRA-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224841744 557657486 /nfs/dbraw/zinc/65/74/86/557657486.db2.gz IQYLBNFCPSGOLT-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849519 557658659 /nfs/dbraw/zinc/65/86/59/557658659.db2.gz HXWODBSPOKNLDB-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000224871430 557660692 /nfs/dbraw/zinc/66/06/92/557660692.db2.gz GSNAZFNFBZRYSK-QHCPKHFHSA-N 1 0 441.015 5.751 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCC2)cc1 ZINC000225513364 557732987 /nfs/dbraw/zinc/73/29/87/557732987.db2.gz GPLZMDPCBLORQB-HSZRJFAPSA-N 1 0 434.624 5.946 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)CCCC2)cc1 ZINC000225512986 557733088 /nfs/dbraw/zinc/73/30/88/557733088.db2.gz ULIBBUFZYMCXHC-GOTSBHOMSA-N 1 0 434.624 5.802 40 0 IKABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225516081 557733714 /nfs/dbraw/zinc/73/37/14/557733714.db2.gz AQRPQQBRGHZPTA-SFTDATJTSA-N 1 0 438.587 5.633 40 0 IKABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520410 557734563 /nfs/dbraw/zinc/73/45/63/557734563.db2.gz DAORLQFLBGZIGM-SFTDATJTSA-N 1 0 438.587 5.633 40 0 IKABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520325 557734589 /nfs/dbraw/zinc/73/45/89/557734589.db2.gz DAORLQFLBGZIGM-NHCUHLMSSA-N 1 0 438.587 5.633 40 0 IKABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520768 557734950 /nfs/dbraw/zinc/73/49/50/557734950.db2.gz OTROXXSJYKAGSL-OAQYLSRUSA-N 1 0 438.587 5.777 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccccc2Cl)CCCC1 ZINC000225526551 557736412 /nfs/dbraw/zinc/73/64/12/557736412.db2.gz GYRHBJCYWDJYQH-UHFFFAOYSA-N 1 0 441.015 6.045 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)CCCCC2)c1 ZINC000225539927 557738827 /nfs/dbraw/zinc/73/88/27/557738827.db2.gz FHOKZLOZHOOOTM-DNQXCXABSA-N 1 0 448.651 6.192 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCCC4)cc3)CCCCC2)c1 ZINC000225539991 557738865 /nfs/dbraw/zinc/73/88/65/557738865.db2.gz PRGLQHMVYFRJQA-UHFFFAOYSA-N 1 0 434.624 6.090 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@@H]4C)cc3)CCCCC2)c1 ZINC000225540352 557738913 /nfs/dbraw/zinc/73/89/13/557738913.db2.gz UZMZYMAPKLIZPQ-DEOSSOPVSA-N 1 0 448.651 6.479 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCCC4)cc3)CCCCC2)cc1 ZINC000225542537 557739297 /nfs/dbraw/zinc/73/92/97/557739297.db2.gz ZYBJRCJTXZKFEM-UHFFFAOYSA-N 1 0 434.624 6.090 40 0 IKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 ZINC000225545398 557739672 /nfs/dbraw/zinc/73/96/72/557739672.db2.gz RYBXORSYDVINJJ-UHFFFAOYSA-N 1 0 426.576 5.777 40 0 IKABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 ZINC000225545132 557739677 /nfs/dbraw/zinc/73/96/77/557739677.db2.gz VRGJERFLODJTND-OAQYLSRUSA-N 1 0 438.587 5.920 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000225550659 557740853 /nfs/dbraw/zinc/74/08/53/557740853.db2.gz YNLHXVYLWMALNH-UHFFFAOYSA-N 1 0 426.988 5.655 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccccc2Cl)CCCCC1 ZINC000225553549 557741211 /nfs/dbraw/zinc/74/12/11/557741211.db2.gz ZRHKKMJMAAUNKC-UHFFFAOYSA-N 1 0 426.988 5.655 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCCCC2)cc1 ZINC000225559256 557742388 /nfs/dbraw/zinc/74/23/88/557742388.db2.gz YPULCTPWOCLUIQ-UHFFFAOYSA-N 1 0 436.596 5.401 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000225561920 557742684 /nfs/dbraw/zinc/74/26/84/557742684.db2.gz DJGGMADRIUEKHT-UHFFFAOYSA-N 1 0 436.596 5.018 40 0 IKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225615783 557752602 /nfs/dbraw/zinc/75/26/02/557752602.db2.gz OHSRGEMHUGIOIH-UHFFFAOYSA-N 1 0 432.649 5.603 40 0 IKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225615866 557752808 /nfs/dbraw/zinc/75/28/08/557752808.db2.gz ZNVFSKBQPGMAOA-QFIPXVFZSA-N 1 0 432.649 5.746 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225659829 557758401 /nfs/dbraw/zinc/75/84/01/557758401.db2.gz XRRCQOMIMJVNFR-QFIPXVFZSA-N 1 0 430.633 5.788 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225664295 557759085 /nfs/dbraw/zinc/75/90/85/557759085.db2.gz NINRTMZXLKOOEL-XLGIIRLISA-N 1 0 430.633 5.501 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225696439 557765521 /nfs/dbraw/zinc/76/55/21/557765521.db2.gz HUPVTKPZIZIBMZ-UHFFFAOYSA-N 1 0 432.649 5.747 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225696217 557765548 /nfs/dbraw/zinc/76/55/48/557765548.db2.gz OPLKKICZTYAUML-ZRZAMGCNSA-N 1 0 446.676 5.849 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225696272 557765610 /nfs/dbraw/zinc/76/56/10/557765610.db2.gz OPLKKICZTYAUML-GOTSBHOMSA-N 1 0 446.676 5.849 40 0 IKABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 ZINC000225728459 557769794 /nfs/dbraw/zinc/76/97/94/557769794.db2.gz RIBFBARKFQIBKY-WOJBJXKFSA-N 1 0 427.683 5.633 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225742167 557771637 /nfs/dbraw/zinc/77/16/37/557771637.db2.gz MQFVIPBIOGRSAB-HSZRJFAPSA-N 1 0 446.676 5.993 40 0 IKABRO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000225824327 557781540 /nfs/dbraw/zinc/78/15/40/557781540.db2.gz YCXGDJMPWKZXRQ-QFIPXVFZSA-N 1 0 442.603 5.641 40 0 IKABRO O=C(c1ccccc1F)N1CCC(CCCC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000059474664 557824467 /nfs/dbraw/zinc/82/44/67/557824467.db2.gz WYSLZRLPJINMRB-UHFFFAOYSA-N 1 0 440.578 5.900 40 0 IKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)NC4CCCCC4)C=C3C)nc21 ZINC000225399100 560043665 /nfs/dbraw/zinc/04/36/65/560043665.db2.gz FDVBJSIRMHVKJL-FUDKSRODSA-N 1 0 436.644 5.900 40 0 biogenic,in-vitro IKABRO CC1=C[C@@H](C[N@H+](C)CCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882859 560089711 /nfs/dbraw/zinc/08/97/11/560089711.db2.gz BHVPGHMSDWLQBD-GNKBHMEESA-N 1 0 444.623 5.703 40 0 biogenic,in-vitro IKABRO O=C([C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCC(Cc2ccccc2)CC1 ZINC000006529397 568792111 /nfs/dbraw/zinc/79/21/11/568792111.db2.gz QZJSKHDTZVSGTB-MHZLTWQESA-N 1 0 426.604 5.533 40 0 IKABRO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100080 568872674 /nfs/dbraw/zinc/87/26/74/568872674.db2.gz FEGWOAJLJWRZBW-MUUNZHRXSA-N 1 0 447.598 5.677 40 0 IKABRO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@@H+]4Cc4ccc(F)cc4)CC3)oc21 ZINC000585100404 568872691 /nfs/dbraw/zinc/87/26/91/568872691.db2.gz QKXYFNAMQGVOKO-AREMUKBSSA-N 1 0 436.527 5.241 40 0 IKABRO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@@H+]4Cc4cccc(F)c4)CC3)oc21 ZINC000585100709 568872723 /nfs/dbraw/zinc/87/27/23/568872723.db2.gz UJEZHWNAMLTANG-SANMLTNESA-N 1 0 436.527 5.241 40 0 IKABRO O=C(c1cc2ccccc2cc1O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100356 568872786 /nfs/dbraw/zinc/87/27/86/568872786.db2.gz INILVMLDFSZBHZ-HHHXNRCGSA-N 1 0 432.539 5.345 40 0 IKABRO O=C1CCCN1c1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000585262211 568873604 /nfs/dbraw/zinc/87/36/04/568873604.db2.gz ADVIUCSGLSBFBA-LBNVMWSVSA-N 1 0 439.603 5.359 40 0 IKABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](Nc3cccc(F)c3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000585262233 568873645 /nfs/dbraw/zinc/87/36/45/568873645.db2.gz NIHTWBOFFCMCQS-WNCULLNHSA-N 1 0 431.555 5.329 40 0 IKABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+](Cc4c(C)nc5cc(C)ccn54)C3)n2)s1 ZINC000585262678 568873858 /nfs/dbraw/zinc/87/38/58/568873858.db2.gz SCPWBNVNAZZQKU-LJQANCHMSA-N 1 0 432.597 5.234 40 0 IKABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+](Cc4c(C)nc5c(C)cccn45)C3)n2)s1 ZINC000585262647 568873873 /nfs/dbraw/zinc/87/38/73/568873873.db2.gz OHNLQDUCCABVGU-IBGZPJMESA-N 1 0 432.597 5.234 40 0 IKABRO FC(F)(F)c1nc(-c2cc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)ccn2)no1 ZINC000585266299 568874444 /nfs/dbraw/zinc/87/44/44/568874444.db2.gz JBMWNKCOARIYRJ-UHFFFAOYSA-N 1 0 439.441 5.078 40 0 IKABRO CCc1cc([C@H](c2cccc(OC)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001235991 568885849 /nfs/dbraw/zinc/88/58/49/568885849.db2.gz KJZITLVURIBBHV-VWLOTQADSA-N 1 0 448.632 6.393 40 0 IKABRO Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH+]2CCCCC2)c(C)c1 ZINC000001720315 569082336 /nfs/dbraw/zinc/08/23/36/569082336.db2.gz WMVITKWUIQLBGX-VSGBNLITSA-N 1 0 427.588 6.737 40 0 IKABRO COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000002546482 569097393 /nfs/dbraw/zinc/09/73/93/569097393.db2.gz VSYMACQIDUJEMB-XMMPIXPASA-N 1 0 434.605 6.201 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c1C ZINC000002546503 569097401 /nfs/dbraw/zinc/09/74/01/569097401.db2.gz GFAKGLXDDINFCN-HSZRJFAPSA-N 1 0 439.024 6.846 40 0 IKABRO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000002546388 569097405 /nfs/dbraw/zinc/09/74/05/569097405.db2.gz DBZPIAHPFCUAOO-VWLOTQADSA-N 1 0 448.632 6.591 40 0 IKABRO CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000002551825 569097986 /nfs/dbraw/zinc/09/79/86/569097986.db2.gz AJIBXAQCZZSLDK-VWLOTQADSA-N 1 0 448.632 6.537 40 0 IKABRO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000002589870 569125160 /nfs/dbraw/zinc/12/51/60/569125160.db2.gz CIZCPAGYUCMLFA-RUZDIDTESA-N 1 0 448.632 6.447 40 0 IKABRO Cc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000016739854 569160751 /nfs/dbraw/zinc/16/07/51/569160751.db2.gz YYKZMLDULITNEO-HNVPCBRESA-N 1 0 449.615 5.357 40 0 IKABRO O=C(Nc1ccc(Br)cc1F)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063341 569219793 /nfs/dbraw/zinc/21/97/93/569219793.db2.gz BYHAKORVGWGHEC-UHFFFAOYSA-N 1 0 425.729 5.092 40 0 IKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)c1 ZINC000009063025 569219824 /nfs/dbraw/zinc/21/98/24/569219824.db2.gz KKQHPWIWKHYWKD-UHFFFAOYSA-N 1 0 430.617 6.138 40 0 IKABRO O=C(NCCSCc1cccc(Cl)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063286 569219826 /nfs/dbraw/zinc/21/98/26/569219826.db2.gz YDNHRPCAKZNUFI-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063415 569219916 /nfs/dbraw/zinc/21/99/16/569219916.db2.gz MEFLDMLGNYDBAE-UHFFFAOYSA-N 1 0 431.285 5.863 40 0 IKABRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063364 569220002 /nfs/dbraw/zinc/22/00/02/569220002.db2.gz PGFYHPJBBRNMGQ-UHFFFAOYSA-N 1 0 432.178 6.151 40 0 IKABRO O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010370749 569224041 /nfs/dbraw/zinc/22/40/41/569224041.db2.gz VWJNUUOFFAHGEA-UHFFFAOYSA-N 1 0 437.436 5.643 40 0 IKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019014391 569226120 /nfs/dbraw/zinc/22/61/20/569226120.db2.gz NEXFORKBUORCEF-FFMDSGJWSA-N 1 0 439.603 5.297 40 0 IKABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000019450871 569226671 /nfs/dbraw/zinc/22/66/71/569226671.db2.gz LRWDIRNFKZDFFZ-JTHBVZDNSA-N 1 0 441.641 5.190 40 0 IKABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019450632 569226707 /nfs/dbraw/zinc/22/67/07/569226707.db2.gz PFRUPJQXTWCCGR-SQJMNOBHSA-N 1 0 449.620 5.314 40 0 IKABRO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019521357 569226816 /nfs/dbraw/zinc/22/68/16/569226816.db2.gz WKYZAVFTGFUEMZ-UQBPGWFLSA-N 1 0 433.596 5.506 40 0 IKABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000019577346 569227226 /nfs/dbraw/zinc/22/72/26/569227226.db2.gz BRZXNEAPIYYDAO-PXDATVDWSA-N 1 0 449.620 5.152 40 0 IKABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019702534 569232080 /nfs/dbraw/zinc/23/20/80/569232080.db2.gz HGIYYGSAMWNDFF-IBGZPJMESA-N 1 0 449.620 5.309 40 0 IKABRO CC(C)n1cc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000019702597 569232192 /nfs/dbraw/zinc/23/21/92/569232192.db2.gz MRKXAGANNUEXDG-OAHLLOKOSA-N 1 0 436.556 5.059 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000019704294 569233297 /nfs/dbraw/zinc/23/32/97/569233297.db2.gz HGVKFRBLBICYBS-QFIPXVFZSA-N 1 0 435.616 5.496 40 0 IKABRO CCc1[nH]nc(C(=O)Nc2ccc([C@@H]3C[C@H]([NH+](CC)CC)C[C@H](C(C)C)O3)cc2)c1C ZINC000019711759 569234917 /nfs/dbraw/zinc/23/49/17/569234917.db2.gz MDNLSUOENYCKJF-MZYLBHOOSA-N 1 0 426.605 5.119 40 0 IKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3ccc4c(c3)ncn4C)cc2)C1 ZINC000019711867 569235018 /nfs/dbraw/zinc/23/50/18/569235018.db2.gz ACFFTCWDXPZSFD-RCXJIHSJSA-N 1 0 448.611 5.412 40 0 IKABRO CCn1nc(C)c(C[N@H+](CC)[C@H]2CCO[C@@H](c3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000019711914 569235030 /nfs/dbraw/zinc/23/50/30/569235030.db2.gz JPKGKUJREIHRMV-NEKDWFFYSA-N 1 0 447.623 5.938 40 0 IKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cnn(C(C)C)c3)cc2)C1 ZINC000019711875 569235092 /nfs/dbraw/zinc/23/50/92/569235092.db2.gz MEJDMUYTBCVFSZ-SMIHKQSGSA-N 1 0 426.605 5.303 40 0 IKABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3cccc(F)c3)CC2)sc1CCOc1ccccc1 ZINC000019738688 569235948 /nfs/dbraw/zinc/23/59/48/569235948.db2.gz CNIMHYJTYMKPTF-VWLOTQADSA-N 1 0 440.584 5.086 40 0 IKABRO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccccc1)[N@@H+]2Cc1ccccc1 ZINC000245227100 569269411 /nfs/dbraw/zinc/26/94/11/569269411.db2.gz ABUKBCAATVFRLI-TXKDVJNZSA-N 1 0 427.544 5.441 40 0 IKABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCC[N@@H+]3C[C@H]3CCOC3)nn21 ZINC000247695710 569270021 /nfs/dbraw/zinc/27/00/21/569270021.db2.gz ZZEZIEAAAHYMJO-RHSMWYFYSA-N 1 0 436.503 5.040 40 0 IKABRO CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21 ZINC000257199328 569275406 /nfs/dbraw/zinc/27/54/06/569275406.db2.gz ZSAFBTBLHQRTRB-OXMFQOBNSA-N 1 0 445.651 5.576 40 0 IKABRO CCc1c(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NC)C2)c2ccccc2n1C ZINC000257202648 569275595 /nfs/dbraw/zinc/27/55/95/569275595.db2.gz AMSSARRNGSKDOJ-QGZVFWFLSA-N 1 0 431.605 5.305 40 0 IKABRO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000257201846 569275599 /nfs/dbraw/zinc/27/55/99/569275599.db2.gz AJGQIDPSXIWJID-LJQANCHMSA-N 1 0 449.520 6.259 40 0 IKABRO Fc1ccccc1O[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1OCc1ccccn1)CC2 ZINC000257201123 569275630 /nfs/dbraw/zinc/27/56/30/569275630.db2.gz AGJNXQNNXDLZEK-QHCPKHFHSA-N 1 0 448.538 5.002 40 0 IKABRO COc1cccc2ccc(C[NH+]3CCC(c4ccc(Cc5ccc(F)cc5)cn4)CC3)nc21 ZINC000257203368 569275645 /nfs/dbraw/zinc/27/56/45/569275645.db2.gz APRPCUVCWCSWAU-UHFFFAOYSA-N 1 0 441.550 5.748 40 0 IKABRO Cc1oc2c(c1C(=O)N1CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C1)CCCC2 ZINC000257204385 569275735 /nfs/dbraw/zinc/27/57/35/569275735.db2.gz AUIGYNRTYIXWPK-KRWDZBQOSA-N 1 0 434.515 5.078 40 0 IKABRO CC(C)(C)C[NH2+][C@@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257205388 569275781 /nfs/dbraw/zinc/27/57/81/569275781.db2.gz AYUBXWZGDHGGBS-CVDCTZTESA-N 1 0 434.455 6.510 40 0 IKABRO Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000257206317 569275790 /nfs/dbraw/zinc/27/57/90/569275790.db2.gz BCVSYZZPAXXWIM-NRFANRHFSA-N 1 0 447.627 5.102 40 0 IKABRO COCC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257208758 569275897 /nfs/dbraw/zinc/27/58/97/569275897.db2.gz BNMOQIUQAMCKOK-UHFFFAOYSA-N 1 0 442.644 5.028 40 0 IKABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257210095 569275918 /nfs/dbraw/zinc/27/59/18/569275918.db2.gz BTCVWEADEOBJML-QFIPXVFZSA-N 1 0 446.570 5.102 40 0 IKABRO Fc1ccccc1C[NH+]1CCC(c2cc(Nc3ccccc3)nc(-c3cnccn3)n2)CC1 ZINC000257214752 569276040 /nfs/dbraw/zinc/27/60/40/569276040.db2.gz CNHTWGFVOQOTQV-UHFFFAOYSA-N 1 0 440.526 5.196 40 0 IKABRO COc1cccc(Cc2ccc(C3CC[NH+](Cc4c(C)cc(OC)c(C)c4C)CC3)nc2)c1 ZINC000257215405 569276060 /nfs/dbraw/zinc/27/60/60/569276060.db2.gz CPZBKTQTCHQPDX-UHFFFAOYSA-N 1 0 444.619 5.994 40 0 IKABRO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCC[N@H+]4CCCC[C@H]4C)CCOCC3)c2)c1 ZINC000257218712 569276137 /nfs/dbraw/zinc/27/61/37/569276137.db2.gz DEEYZDQDISGNMV-XMMPIXPASA-N 1 0 448.651 5.300 40 0 IKABRO Cc1ccc2[nH]nc(C(=O)N3CCC(c4cc(Nc5cccc(C)n5)cc(C)[nH+]4)CC3)c2c1 ZINC000257222840 569276351 /nfs/dbraw/zinc/27/63/51/569276351.db2.gz DUVXZBMBSBQJHW-UHFFFAOYSA-N 1 0 440.551 5.042 40 0 IKABRO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCC[NH+]4CCC(C)CC4)CCOCC3)c2)c1 ZINC000257225274 569276367 /nfs/dbraw/zinc/27/63/67/569276367.db2.gz FFODCUBMMYRGJZ-UHFFFAOYSA-N 1 0 448.651 5.158 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c2ccccc21 ZINC000257234685 569276654 /nfs/dbraw/zinc/27/66/54/569276654.db2.gz GUQPFSROKGEIQM-JOCHJYFZSA-N 1 0 429.995 6.197 40 0 IKABRO Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CC[NH+](Cc3ccncc3)CC2)c1 ZINC000257234366 569276673 /nfs/dbraw/zinc/27/66/73/569276673.db2.gz GTFOFQQMDDQCLE-UHFFFAOYSA-N 1 0 441.619 5.407 40 0 IKABRO CC(=O)N1CC[C@@H]2[C@@H](C1)CCCC[N@@H+]2Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000257237652 569276769 /nfs/dbraw/zinc/27/67/69/569276769.db2.gz HHMKTIZQKDXZFR-ZJSXRUAMSA-N 1 0 426.988 5.142 40 0 IKABRO CCNc1nc(C)c(C(=O)N2CC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)s1 ZINC000257239661 569276813 /nfs/dbraw/zinc/27/68/13/569276813.db2.gz HQHFNMMTOYPCAN-INIZCTEOSA-N 1 0 439.560 5.099 40 0 IKABRO O=C(c1cccs1)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)C[N@@H+]2Cc1ccccc1 ZINC000257241355 569276921 /nfs/dbraw/zinc/27/69/21/569276921.db2.gz HXTQQUKIPOJMOB-ONTIZHBOSA-N 1 0 438.543 5.157 40 0 IKABRO Cc1c(C[N@@H+]2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)oc2ccc(C)cc12 ZINC000257241912 569276925 /nfs/dbraw/zinc/27/69/25/569276925.db2.gz IAFKJXIADCKNDQ-QPPBQGQZSA-N 1 0 447.623 6.093 40 0 IKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(Cl)c2)[C@@H]1O ZINC000257246555 569277025 /nfs/dbraw/zinc/27/70/25/569277025.db2.gz IURBBBGLPNYGHY-DNRSQYFGSA-N 1 0 437.967 5.925 40 0 IKABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)CC2)[nH+]1 ZINC000257247435 569277042 /nfs/dbraw/zinc/27/70/42/569277042.db2.gz IYZYENWMCNWRGE-QGZVFWFLSA-N 1 0 446.526 5.011 40 0 IKABRO Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)c2)n1 ZINC000257254399 569277176 /nfs/dbraw/zinc/27/71/76/569277176.db2.gz KCXDYWWUUJXECP-UHFFFAOYSA-N 1 0 439.563 5.267 40 0 IKABRO C[C@@H](c1ccncc1)N1CCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000257253343 569277196 /nfs/dbraw/zinc/27/71/96/569277196.db2.gz JYNCIIWGLXPXPJ-KSSFIOAISA-N 1 0 443.498 5.770 40 0 IKABRO COc1ccc2c(C[N@@H+]3CCC[C@@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1 ZINC000257269053 569277530 /nfs/dbraw/zinc/27/75/30/569277530.db2.gz MOJUJYWNUJEASP-JOCHJYFZSA-N 1 0 443.566 5.691 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)nc2)C1 ZINC000257280119 569277809 /nfs/dbraw/zinc/27/78/09/569277809.db2.gz OJNFSJCVKPWCTD-FQEVSTJZSA-N 1 0 442.588 5.016 40 0 IKABRO Cn1cc(C[NH+]2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)c2cc(F)ccc21 ZINC000257279035 569277874 /nfs/dbraw/zinc/27/78/74/569277874.db2.gz OESSJVYMUDANPL-UHFFFAOYSA-N 1 0 447.985 6.336 40 0 IKABRO CC(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257282692 569277943 /nfs/dbraw/zinc/27/79/43/569277943.db2.gz OUVMWSQKYRUXQB-GCJKJVERSA-N 1 0 434.411 5.647 40 0 IKABRO O=C1C[C@H](c2ccccc2)[C@@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2ccccn2)N1Cc1ccc(F)cc1 ZINC000257280656 569277978 /nfs/dbraw/zinc/27/79/78/569277978.db2.gz OLTZASMTQRCTMT-ASUDMDKOSA-N 1 0 443.566 5.064 40 0 IKABRO COCc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)ccc1OC(C)C ZINC000257291552 569278221 /nfs/dbraw/zinc/27/82/21/569278221.db2.gz QHMXNZLCYDDGMS-HHHXNRCGSA-N 1 0 448.582 6.082 40 0 IKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@H+](Cc4cn(C)c5ccc(F)cc45)C3)nc2)c1 ZINC000257296208 569278340 /nfs/dbraw/zinc/27/83/40/569278340.db2.gz RBSBXPPBZSSJIS-QFIPXVFZSA-N 1 0 443.566 5.691 40 0 IKABRO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(-c4ccccc4F)c3)C[C@H]2c2ccccc2F)N1 ZINC000257295309 569278354 /nfs/dbraw/zinc/27/83/54/569278354.db2.gz QXUZUYHECOKGAQ-WNCULLNHSA-N 1 0 432.514 5.270 40 0 IKABRO CC(C)n1cc(CN2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc21 ZINC000257297229 569278431 /nfs/dbraw/zinc/27/84/31/569278431.db2.gz RGKSPXQHFLTNSB-OAQYLSRUSA-N 1 0 433.577 5.109 40 0 IKABRO COc1cccc(CNc2cc(-c3cnc(C)nc3[C@@H]3CCC[N@@H+](C(C)C)C3)ccn2)c1 ZINC000257298439 569278475 /nfs/dbraw/zinc/27/84/75/569278475.db2.gz RLPMILJDCVIRAO-JOCHJYFZSA-N 1 0 431.584 5.056 40 0 IKABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC2)[nH+]1 ZINC000257299781 569278503 /nfs/dbraw/zinc/27/85/03/569278503.db2.gz RROCBSAOOVHLJU-UHFFFAOYSA-N 1 0 447.489 5.308 40 0 IKABRO O=C(c1ccccc1C[NH+]1CCCCC1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000257300325 569278522 /nfs/dbraw/zinc/27/85/22/569278522.db2.gz RTVIQVRDUKRGCL-VWLOTQADSA-N 1 0 426.564 5.107 40 0 IKABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)c1 ZINC000257307261 569278637 /nfs/dbraw/zinc/27/86/37/569278637.db2.gz SXXDHPAIEAISST-OAQYLSRUSA-N 1 0 438.531 5.320 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2ccncc2)CC1 ZINC000257306094 569278743 /nfs/dbraw/zinc/27/87/43/569278743.db2.gz SSWYLCSDHPCXHK-UHFFFAOYSA-N 1 0 427.592 5.100 40 0 IKABRO Fc1ccc(O[C@H]2COC3(C2)CC[NH+](Cc2cccc(OCc4ccccn4)c2)CC3)cc1 ZINC000257308686 569278840 /nfs/dbraw/zinc/27/88/40/569278840.db2.gz TXSKUEWEAPFONE-AREMUKBSSA-N 1 0 448.538 5.002 40 0 IKABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)CCc4cc(OC(C)C)no4)C3)c2)cc1 ZINC000257314864 569279000 /nfs/dbraw/zinc/27/90/00/569279000.db2.gz UYVTWFPSXONPCR-FQEVSTJZSA-N 1 0 448.567 5.166 40 0 IKABRO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322223 569279225 /nfs/dbraw/zinc/27/92/25/569279225.db2.gz WFCJOGZGQRLQQN-DENIHFKCSA-N 1 0 431.983 5.522 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c(C)n1 ZINC000257324003 569279237 /nfs/dbraw/zinc/27/92/37/569279237.db2.gz WMTSZFUIGKJVSD-NRFANRHFSA-N 1 0 442.529 5.596 40 0 IKABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH+]1 ZINC000257326086 569279421 /nfs/dbraw/zinc/27/94/21/569279421.db2.gz WVSVFGPCKNOIJZ-UHFFFAOYSA-N 1 0 443.526 5.098 40 0 IKABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)cc1 ZINC000257327463 569279458 /nfs/dbraw/zinc/27/94/58/569279458.db2.gz XBLLARWDERKNQG-FQEVSTJZSA-N 1 0 446.526 5.251 40 0 IKABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000257339227 569279655 /nfs/dbraw/zinc/27/96/55/569279655.db2.gz ZAUHRCYZGPMROK-MHZLTWQESA-N 1 0 440.566 5.763 40 0 IKABRO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257340570 569279807 /nfs/dbraw/zinc/27/98/07/569279807.db2.gz ZGSNDKLNLIDRLV-QGZVFWFLSA-N 1 0 449.595 5.660 40 0 IKABRO CC(C)n1cc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000257339599 569279830 /nfs/dbraw/zinc/27/98/30/569279830.db2.gz ZCKRLWNVEXXKTD-LJQANCHMSA-N 1 0 445.632 6.128 40 0 IKABRO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257344542 569279975 /nfs/dbraw/zinc/27/99/75/569279975.db2.gz ZXSOYQJKBVJANC-OAQYLSRUSA-N 1 0 431.530 6.120 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@H](C)C4)cc3)CCCC2)c1 ZINC000260818159 569281798 /nfs/dbraw/zinc/28/17/98/569281798.db2.gz WAJXKRLOBJUVNC-QHCPKHFHSA-N 1 0 434.624 5.946 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812447 569281802 /nfs/dbraw/zinc/28/18/02/569281802.db2.gz BQIPUKWLPRFBLH-JOCHJYFZSA-N 1 0 432.649 5.746 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@H](C)C4)cc3)CCCCC2)cc1 ZINC000260812490 569281805 /nfs/dbraw/zinc/28/18/05/569281805.db2.gz DCVSNWRUHOQRMO-QHCPKHFHSA-N 1 0 434.624 5.946 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260814762 569281872 /nfs/dbraw/zinc/28/18/72/569281872.db2.gz NINRTMZXLKOOEL-TVZXLZGTSA-N 1 0 430.633 5.501 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@H]4C)cc3)CCCCC2)cc1 ZINC000260812560 569281876 /nfs/dbraw/zinc/28/18/76/569281876.db2.gz GGYAFOILQCWBMK-HSZRJFAPSA-N 1 0 434.624 6.089 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260818209 569281898 /nfs/dbraw/zinc/28/18/98/569281898.db2.gz XUAOYKPJHRETSU-VVZHRXSXSA-N 1 0 430.633 5.644 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260812528 569281918 /nfs/dbraw/zinc/28/19/18/569281918.db2.gz FJHKPZGHJRCJRD-QFIPXVFZSA-N 1 0 430.633 5.646 40 0 IKABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260949467 569282049 /nfs/dbraw/zinc/28/20/49/569282049.db2.gz XFEFREDSUKETQO-ZCYQVOJMSA-N 1 0 425.016 5.698 40 0 IKABRO CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009041949 569293146 /nfs/dbraw/zinc/29/31/46/569293146.db2.gz IOJSASXMHFMQDT-MQQADFIWSA-N 1 0 434.451 7.353 40 0 IKABRO [NH3+][C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115455757 569301780 /nfs/dbraw/zinc/30/17/80/569301780.db2.gz XKHXPTSUVPZYDW-HDICACEKSA-N 1 0 425.939 5.230 40 0 IKABRO O=C1[C@H](C2CC[NH+](Cc3ccc4ncccc4c3)CC2)CC=CCN1Cc1ccccc1 ZINC000019698509 569326954 /nfs/dbraw/zinc/32/69/54/569326954.db2.gz NDDQBASKISVIQB-SANMLTNESA-N 1 0 425.576 5.052 40 0 IKABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4cccnc4)C=C3C)o2)cc1 ZINC000030883143 291401176 /nfs/dbraw/zinc/40/11/76/291401176.db2.gz CSYNQXPNWLPWSM-SDHOMARFSA-N 1 0 430.596 5.627 40 0 biogenic,in-vitro IKABRO CC(C)(CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022074134 519280507 /nfs/dbraw/zinc/28/05/07/519280507.db2.gz BUTBJGAUDIZRNU-UHFFFAOYSA-N 1 0 433.173 5.195 40 0 IKABRO CC(=O)Nc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185744 519715880 /nfs/dbraw/zinc/71/58/80/519715880.db2.gz RGGKQYBOIJADEI-JOCHJYFZSA-N 1 0 433.508 5.146 40 0 IKABRO CC1(C)C[C@H]([NH2+]CC2CCCCC2)[C@@]2(CCC(=O)NCc3ccco3)CC[C@](C)(O)C[C@@H]12 ZINC000012531707 520553221 /nfs/dbraw/zinc/55/32/21/520553221.db2.gz NWNCVHUYGZYEIF-ZCUSHOGSSA-N 1 0 444.660 5.182 40 0 biogenic,in-vitro IKABRO CC[NH+](CC)CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022075750 520686318 /nfs/dbraw/zinc/68/63/18/520686318.db2.gz HWHKVPYBHQVMPA-UHFFFAOYSA-N 1 0 445.818 5.666 40 0 IKABRO CC[NH+](CC)CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022075236 520686711 /nfs/dbraw/zinc/68/67/11/520686711.db2.gz PQFPFMKBIZMSSR-UHFFFAOYSA-N 1 0 431.407 6.157 40 0 IKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000022076281 520706852 /nfs/dbraw/zinc/70/68/52/520706852.db2.gz FHARAXIHASHVPN-UHFFFAOYSA-N 1 0 438.439 7.276 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688470 520717922 /nfs/dbraw/zinc/71/79/22/520717922.db2.gz SJHDLZDMUWOCOT-UHFFFAOYSA-N 1 0 430.375 6.303 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022076723 520722173 /nfs/dbraw/zinc/72/21/73/520722173.db2.gz OQWKTSAMHOWURI-UHFFFAOYSA-N 1 0 430.375 6.569 40 0 IKABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022074150 520729406 /nfs/dbraw/zinc/72/94/06/520729406.db2.gz SUMIOHNHGAUQCP-KRWDZBQOSA-N 1 0 430.375 6.822 40 0 IKABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022074152 520730502 /nfs/dbraw/zinc/73/05/02/520730502.db2.gz SUMIOHNHGAUQCP-QGZVFWFLSA-N 1 0 430.375 6.822 40 0 IKABRO CCc1ccccc1NC(=O)C[NH+]1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000012640256 521864491 /nfs/dbraw/zinc/86/44/91/521864491.db2.gz FFXVSPLNUGOVMH-UHFFFAOYSA-N 1 0 444.501 5.202 40 0 IKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196301 522442767 /nfs/dbraw/zinc/44/27/67/522442767.db2.gz OGLPRWUCCDABLS-UHFFFAOYSA-N 1 0 446.418 6.495 40 0 IKABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020459753 523171077 /nfs/dbraw/zinc/17/10/77/523171077.db2.gz ARXZWIDUPRWYQG-JOCHJYFZSA-N 1 0 426.626 5.242 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)C1 ZINC000020452501 524093384 /nfs/dbraw/zinc/09/33/84/524093384.db2.gz HRUBQKIQWDUSHV-NRFANRHFSA-N 1 0 433.596 5.187 40 0 IKABRO Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)[NH+]2CCCCC2)c(C)c1 ZINC000001720314 524244795 /nfs/dbraw/zinc/24/47/95/524244795.db2.gz WMVITKWUIQLBGX-IZLXSDGUSA-N 1 0 427.588 6.737 40 0 IKABRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000022076702 524583714 /nfs/dbraw/zinc/58/37/14/524583714.db2.gz QTMBSXDFSOZBDQ-UHFFFAOYSA-N 1 0 430.773 6.280 40 0 IKABRO C[C@H]1[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000036006802 525092159 /nfs/dbraw/zinc/09/21/59/525092159.db2.gz CRQSSISIXUBQTB-TWJSWXTQSA-N 1 0 444.377 6.678 40 0 IKABRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000022073943 525429903 /nfs/dbraw/zinc/42/99/03/525429903.db2.gz RJUVNADBUYSSIN-BALBBAFXSA-N 1 0 444.446 7.267 40 0 IKABRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000022073937 525513775 /nfs/dbraw/zinc/51/37/75/525513775.db2.gz UNFLCGJHGVVIOL-GWKODMSMSA-N 1 0 444.446 7.267 40 0 IKABRO Cc1cc2c(s1)c1cnn(CC[NH+](C(C)C)C(C)C)c(=O)c1n2Cc1ccc(F)cc1 ZINC000019126011 525628852 /nfs/dbraw/zinc/62/88/52/525628852.db2.gz DAQQVMZZQFCFCJ-UHFFFAOYSA-N 1 0 440.588 5.027 40 0 IKABRO C[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000035930592 525674182 /nfs/dbraw/zinc/67/41/82/525674182.db2.gz BPODYCZWRPAIBO-HYPLZALKSA-N 1 0 437.627 7.295 40 0 IKABRO COc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(Cl)cc1 ZINC000016576203 526029687 /nfs/dbraw/zinc/02/96/87/526029687.db2.gz OTSCNXVZDJEXKJ-DPDSROAVSA-N 1 0 440.027 6.622 40 0 IKABRO c1ccc(C(c2ccccc2)N2CCC[N@H+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022027834 526460804 /nfs/dbraw/zinc/46/08/04/526460804.db2.gz AOZHJAOYTIGMEA-UHFFFAOYSA-N 1 0 432.611 6.573 40 0 IKABRO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000012876381 526730187 /nfs/dbraw/zinc/73/01/87/526730187.db2.gz XFHNATOTCKNXCY-UHFFFAOYSA-N 1 0 439.669 5.970 40 0 IKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCC2)c(Cl)c1 ZINC000022074259 526949908 /nfs/dbraw/zinc/94/99/08/526949908.db2.gz IJVHBCGCICOVIM-UHFFFAOYSA-N 1 0 429.185 6.367 40 0 IKABRO FC(F)(F)c1ccc2c(c1)N(CCCN1CC[NH+](C3CC3)CC1)c1ccccc1S2 ZINC000022463171 527684432 /nfs/dbraw/zinc/68/44/32/527684432.db2.gz NPYDSZQCCSLZPP-UHFFFAOYSA-N 1 0 433.543 5.478 40 0 in-man IKABRO O=C(OCC[NH+]1CCCC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000000537734 555510302 /nfs/dbraw/zinc/51/03/02/555510302.db2.gz DQOYUDHAZMAVLD-UHFFFAOYSA-N 1 0 429.442 5.250 40 0 in-man IKABRO CC[NH+](CC)CCC[C@H](C)Nc1nc(-c2ccc(OC)cc2)nc2cc(Cl)ccc21 ZINC000001591931 555704935 /nfs/dbraw/zinc/70/49/35/555704935.db2.gz HFGYZBLTBPQNLZ-KRWDZBQOSA-N 1 0 426.992 5.881 40 0 IKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc2ccc(Cl)cc2nc1-c1ccc(Cl)cc1 ZINC000001597061 555705241 /nfs/dbraw/zinc/70/52/41/555705241.db2.gz PREZAHYIZDKGJR-XMMPIXPASA-N 1 0 445.434 7.144 40 0 IKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)ccc21 ZINC000001683591 555709249 /nfs/dbraw/zinc/70/92/49/555709249.db2.gz FHGZYZNBVGWNAW-SANMLTNESA-N 1 0 441.015 6.499 40 0 IKABRO O=C(OC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000001688529 555709603 /nfs/dbraw/zinc/70/96/03/555709603.db2.gz ARUBUBJNDDZSTJ-ZVBBVAIHSA-N 1 0 441.571 5.051 40 0 IKABRO CC1(C)[C@@H]([NH+]2CCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12 ZINC000001711420 555710540 /nfs/dbraw/zinc/71/05/40/555710540.db2.gz PGLYNCLKWXJSBP-SANMLTNESA-N 1 0 440.612 6.163 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC)cc1 ZINC000001758934 555712670 /nfs/dbraw/zinc/71/26/70/555712670.db2.gz ZSTUITHBPNLNIQ-UHFFFAOYSA-N 1 0 430.592 5.592 40 0 IKABRO COc1ccccc1CC(=[NH2+])N1C[C@@H]2C(=O)CCC(c3ccccc3)(c3ccccc3)[C@@H]2C1 ZINC000003795331 555946686 /nfs/dbraw/zinc/94/66/86/555946686.db2.gz VWBOQFANCXZMAU-LOSJGSFVSA-N 1 0 438.571 5.112 40 0 investigational IKABRO CCCC[NH+](CCCC)CCCOc1ccc(C(=O)c2c(CC)cc3ccccn32)cc1 ZINC000004215163 555976710 /nfs/dbraw/zinc/97/67/10/555976710.db2.gz NRTGWAAGLRTUJZ-UHFFFAOYSA-N 1 0 434.624 6.404 40 0 in-man IKABRO CCOc1ccc(NC(=O)N(c2ccnc3ccccc32)[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000004522746 555999263 /nfs/dbraw/zinc/99/92/63/555999263.db2.gz CTWDVVUAIREBKY-NRFANRHFSA-N 1 0 448.611 6.183 40 0 IKABRO CCCCSc1ccc(C(SCC[NH+](C)C)c2ccc(SCCCC)cc2)cc1 ZINC000004895975 556018280 /nfs/dbraw/zinc/01/82/80/556018280.db2.gz OISBUMLGWWDWJH-UHFFFAOYSA-N 1 0 447.779 7.855 40 0 IKABRO CC[NH+](CC)CCOc1ccc2c(c1)oc(=O)c(-c1ccc(OC)cc1)c2-c1ccccc1 ZINC000004946141 556023054 /nfs/dbraw/zinc/02/30/54/556023054.db2.gz SRPNFNKUZFCGIQ-UHFFFAOYSA-N 1 0 443.543 5.856 40 0 IKABRO O[C@@H](CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3)C[NH+]1CCCCC1 ZINC000005394920 556050203 /nfs/dbraw/zinc/05/02/03/556050203.db2.gz WEOJIUMBVVUGJJ-KCWPFWIISA-N 1 0 435.656 5.229 40 0 IKABRO O[C@@H](c1cc([C@@]23C[C@H]4C[C@H]2CC[C@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000005639875 556061385 /nfs/dbraw/zinc/06/13/85/556061385.db2.gz KSGMKNOHFWUIIV-OMHKWETQSA-N 1 0 445.434 6.185 40 0 in-vitro IKABRO C[C@H]1[C@]2(c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@@H](C(=O)c3ccccc3)[C@]12c1ccccc1 ZINC000005706567 556063177 /nfs/dbraw/zinc/06/31/77/556063177.db2.gz JNDUYIVFABWMIF-NBBQLPJFSA-N 1 0 429.563 6.108 40 0 IKABRO O=C(NCCCCC[NH+]1CCC2(CCCCC2)CC1)[C@H](c1ccccc1)C1CCCCC1 ZINC000006575708 556095180 /nfs/dbraw/zinc/09/51/80/556095180.db2.gz SFSBYBMQEOXDPV-HHHXNRCGSA-N 1 0 438.700 6.683 40 0 IKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)cc1 ZINC000008254510 556154874 /nfs/dbraw/zinc/15/48/74/556154874.db2.gz VNMKXWMEPWMGLR-UHFFFAOYSA-N 1 0 426.000 6.232 40 0 IKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000008254508 556154921 /nfs/dbraw/zinc/15/49/21/556154921.db2.gz LJRJYFWWULZTIX-UHFFFAOYSA-N 1 0 426.000 6.376 40 0 IKABRO COc1ccc([C@@H](C[N@H+](C)C(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000008612742 556192003 /nfs/dbraw/zinc/19/20/03/556192003.db2.gz VNXGWXHCHMZQTK-AREMUKBSSA-N 1 0 447.575 5.460 40 0 IKABRO CCOc1ccc(NC(=O)N(c2ccnc3ccccc32)[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000008615536 556192214 /nfs/dbraw/zinc/19/22/14/556192214.db2.gz CTWDVVUAIREBKY-OAQYLSRUSA-N 1 0 448.611 6.183 40 0 IKABRO COc1ccc2c(c1)N[C@]1(COC3(C1)CC[NH+](Cc1ccccc1Cl)CC3)c1cccn1-2 ZINC000012086187 556399647 /nfs/dbraw/zinc/39/96/47/556399647.db2.gz ZDKYNBCYHBXLSO-AREMUKBSSA-N 1 0 449.982 5.215 40 0 IKABRO COc1ccc2c(c1)N[C@@]1(COC3(C1)CC[NH+](Cc1ccc(Cl)cc1)CC3)c1cccn1-2 ZINC000012086182 556399728 /nfs/dbraw/zinc/39/97/28/556399728.db2.gz JVTBQWAGANESSB-SANMLTNESA-N 1 0 449.982 5.215 40 0 IKABRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039763345 556436720 /nfs/dbraw/zinc/43/67/20/556436720.db2.gz MYZCRSSLMUMSOK-UHFFFAOYSA-N 1 0 431.285 5.863 40 0 IKABRO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039763870 556436765 /nfs/dbraw/zinc/43/67/65/556436765.db2.gz HASUHPXXNRRHET-UHFFFAOYSA-N 1 0 432.951 5.422 40 0 IKABRO O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039767892 556437020 /nfs/dbraw/zinc/43/70/20/556437020.db2.gz LONKHGFPEMIEIB-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039766961 556437109 /nfs/dbraw/zinc/43/71/09/556437109.db2.gz CORGEAZUOFIJTF-UHFFFAOYSA-N 1 0 434.580 5.969 40 0 IKABRO O=C(NCCSCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039767903 556437341 /nfs/dbraw/zinc/43/73/41/556437341.db2.gz PLPJFPLMIBITGG-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)ccc21 ZINC000039768128 556437368 /nfs/dbraw/zinc/43/73/68/556437368.db2.gz OIKOXESUJCLDNC-UHFFFAOYSA-N 1 0 429.539 5.804 40 0 IKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3C)CC2)c1 ZINC000039750647 556438369 /nfs/dbraw/zinc/43/83/69/556438369.db2.gz ZETYMMGDVFCNJJ-UHFFFAOYSA-N 1 0 444.644 6.446 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000039748379 556438427 /nfs/dbraw/zinc/43/84/27/556438427.db2.gz PZHAGRGGQRMJSE-UHFFFAOYSA-N 1 0 445.994 6.319 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)ccc21 ZINC000039751658 556438698 /nfs/dbraw/zinc/43/86/98/556438698.db2.gz VPNLPJMRTZYPCR-UHFFFAOYSA-N 1 0 425.576 5.974 40 0 IKABRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039752811 556438731 /nfs/dbraw/zinc/43/87/31/556438731.db2.gz GNKRDXSMXUVTKE-UHFFFAOYSA-N 1 0 431.285 5.863 40 0 IKABRO CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000039755665 556439465 /nfs/dbraw/zinc/43/94/65/556439465.db2.gz PNJIDOHDLGWLIN-UHFFFAOYSA-N 1 0 429.004 5.088 40 0 IKABRO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015017501 556486438 /nfs/dbraw/zinc/48/64/38/556486438.db2.gz AUYNEYDHGNEHLB-XRKRLSELSA-N 1 0 438.571 5.408 40 0 IKABRO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015017499 556486552 /nfs/dbraw/zinc/48/65/52/556486552.db2.gz AUYNEYDHGNEHLB-LMSSTIIKSA-N 1 0 438.571 5.408 40 0 IKABRO Cc1cc(I)ccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000030751280 556502931 /nfs/dbraw/zinc/50/29/31/556502931.db2.gz DOAJGDQJIPQZCL-OAHLLOKOSA-N 1 0 448.348 5.084 40 0 IKABRO Cc1cc2c(cc1Br)C(=O)[C@@](C[NH+]1CCCCC1)(Sc1ccccc1)CO2 ZINC000015229087 556512677 /nfs/dbraw/zinc/51/26/77/556512677.db2.gz VLKXHQUBUFTLAX-QFIPXVFZSA-N 1 0 446.410 5.350 40 0 IKABRO Cc1cc2c(cc1Br)C(=O)[C@](C[NH+]1CCCCC1)(Sc1ccccc1)CO2 ZINC000015229086 556512718 /nfs/dbraw/zinc/51/27/18/556512718.db2.gz VLKXHQUBUFTLAX-JOCHJYFZSA-N 1 0 446.410 5.350 40 0 IKABRO O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030937886 556515497 /nfs/dbraw/zinc/51/54/97/556515497.db2.gz LBGAWUXGEQAOII-HXUWFJFHSA-N 1 0 437.008 6.342 40 0 IKABRO O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030941798 556516328 /nfs/dbraw/zinc/51/63/28/556516328.db2.gz IUMFEYWNGYCULH-UHFFFAOYSA-N 1 0 433.596 5.331 40 0 IKABRO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030943328 556516531 /nfs/dbraw/zinc/51/65/31/556516531.db2.gz POMHTLROKNOQMD-FQEVSTJZSA-N 1 0 428.960 5.148 40 0 IKABRO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030943148 556516635 /nfs/dbraw/zinc/51/66/35/556516635.db2.gz YIDYTNLZSCERGY-NRFANRHFSA-N 1 0 432.951 5.422 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)CC1 ZINC000030943264 556516649 /nfs/dbraw/zinc/51/66/49/556516649.db2.gz LBFLBKIWXXZBNQ-UHFFFAOYSA-N 1 0 446.978 6.055 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000030945293 556516962 /nfs/dbraw/zinc/51/69/62/556516962.db2.gz NJVMFLNXVFSBEC-HXUWFJFHSA-N 1 0 429.539 5.804 40 0 IKABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195469 556589811 /nfs/dbraw/zinc/58/98/11/556589811.db2.gz LEGYWKRPBCEGGA-UHFFFAOYSA-N 1 0 447.760 5.375 40 0 IKABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196255 556590462 /nfs/dbraw/zinc/59/04/62/556590462.db2.gz WZYCDHQOAOPQRI-NRFANRHFSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1c(F)cccc1Cl ZINC000016196280 556590602 /nfs/dbraw/zinc/59/06/02/556590602.db2.gz LXGWDLQQACXIIH-UHFFFAOYSA-N 1 0 429.963 5.981 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 ZINC000016216628 556591875 /nfs/dbraw/zinc/59/18/75/556591875.db2.gz MVWBRGKFPRUHEE-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000016216624 556591917 /nfs/dbraw/zinc/59/19/17/556591917.db2.gz XTTPSJMWISHYLG-UHFFFAOYSA-N 1 0 444.344 5.508 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC ZINC000016227442 556593059 /nfs/dbraw/zinc/59/30/59/556593059.db2.gz GSXPCAFSAZWLQX-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO Cc1ccc(S[C@]2(C[NH+]3CCCC3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310879 556599652 /nfs/dbraw/zinc/59/96/52/556599652.db2.gz GFOGTZCJSFXEIJ-JOCHJYFZSA-N 1 0 446.410 5.268 40 0 IKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCC2)c(Cl)c1 ZINC000016384978 556604315 /nfs/dbraw/zinc/60/43/15/556604315.db2.gz KEYZHLNZUNXGFD-UHFFFAOYSA-N 1 0 443.212 6.757 40 0 IKABRO Fc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016401413 556606086 /nfs/dbraw/zinc/60/60/86/556606086.db2.gz WRCWTJRAPKSSFR-UHFFFAOYSA-N 1 0 438.757 6.697 40 0 IKABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000016449989 556609162 /nfs/dbraw/zinc/60/91/62/556609162.db2.gz NKVUQBYJQZKXBC-UHFFFAOYSA-N 1 0 425.359 6.386 40 0 IKABRO Fc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000016449992 556609214 /nfs/dbraw/zinc/60/92/14/556609214.db2.gz FOYNCRYUJTYKRN-UHFFFAOYSA-N 1 0 448.763 6.153 40 0 IKABRO Fc1ccc(C[NH2+]Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000016525977 556614435 /nfs/dbraw/zinc/61/44/35/556614435.db2.gz LPBMOZIQDVFGEO-UHFFFAOYSA-N 1 0 440.345 7.155 40 0 IKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OCc1ccccc1 ZINC000016605814 556617024 /nfs/dbraw/zinc/61/70/24/556617024.db2.gz PSSRNHKFCGEPEH-AEXOJCPESA-N 1 0 440.027 6.766 40 0 IKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccc(Cl)nc1 ZINC000016605983 556617052 /nfs/dbraw/zinc/61/70/52/556617052.db2.gz ANURULZDUHTRNF-FMLGTGLNSA-N 1 0 441.015 6.161 40 0 IKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016638172 556619176 /nfs/dbraw/zinc/61/91/76/556619176.db2.gz OSXOBMPMVMHRBO-UHFFFAOYSA-N 1 0 430.803 6.904 40 0 IKABRO CCOC(=O)c1c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)sc2c1CCCC2 ZINC000038772343 556619313 /nfs/dbraw/zinc/61/93/13/556619313.db2.gz AEEVFWDZJVUBOJ-QGZVFWFLSA-N 1 0 440.609 5.288 40 0 IKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038850546 556624369 /nfs/dbraw/zinc/62/43/69/556624369.db2.gz BZCTXVUBCYKPKD-AWEZNQCLSA-N 1 0 431.285 5.863 40 0 IKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038850548 556624397 /nfs/dbraw/zinc/62/43/97/556624397.db2.gz BZCTXVUBCYKPKD-CQSZACIVSA-N 1 0 431.285 5.863 40 0 IKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038851456 556625054 /nfs/dbraw/zinc/62/50/54/556625054.db2.gz XLRUHJRCYFGDHK-QFIPXVFZSA-N 1 0 434.580 5.969 40 0 IKABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016687992 556625762 /nfs/dbraw/zinc/62/57/62/556625762.db2.gz KDMWHIHIETYISZ-UHFFFAOYSA-N 1 0 432.775 5.751 40 0 IKABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688567 556626667 /nfs/dbraw/zinc/62/66/67/556626667.db2.gz SKKPWNNQUMJUMM-KRWDZBQOSA-N 1 0 444.786 5.893 40 0 IKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688684 556626701 /nfs/dbraw/zinc/62/67/01/556626701.db2.gz MYMYIXPUYLISFR-QFIPXVFZSA-N 1 0 446.374 5.794 40 0 IKABRO CCOc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OCc1ccccc1 ZINC000016688625 556626732 /nfs/dbraw/zinc/62/67/32/556626732.db2.gz MAFVEDBRQRIDBT-UHFFFAOYSA-N 1 0 432.383 5.778 40 0 IKABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044851595 556670753 /nfs/dbraw/zinc/67/07/53/556670753.db2.gz PYDYDXCNUIHWJR-UHFFFAOYSA-N 1 0 429.004 5.090 40 0 IKABRO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccccc3Cl)CC1)CC(C)(C)O2 ZINC000044855228 556671331 /nfs/dbraw/zinc/67/13/31/556671331.db2.gz HYCRSJRIDLIWPS-QFIPXVFZSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3cccc(Cl)c3)CC1)CC(C)(C)O2 ZINC000044855230 556671376 /nfs/dbraw/zinc/67/13/76/556671376.db2.gz QJUYQNNRSCOVMV-QFIPXVFZSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccc(Cl)cc3)CC1)CC(C)(C)O2 ZINC000044855231 556671387 /nfs/dbraw/zinc/67/13/87/556671387.db2.gz IFCLWMMMNKJXTD-JOCHJYFZSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044855377 556671576 /nfs/dbraw/zinc/67/15/76/556671576.db2.gz ANOOFPJCNLGCDK-QFIPXVFZSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044855380 556671601 /nfs/dbraw/zinc/67/16/01/556671601.db2.gz OSQBIMJNFHSKLU-JOCHJYFZSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc(SCc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)cc1 ZINC000044857226 556673182 /nfs/dbraw/zinc/67/31/82/556673182.db2.gz HNYLCXUOEFYHSS-UHFFFAOYSA-N 1 0 430.617 5.813 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000044873369 556673295 /nfs/dbraw/zinc/67/32/95/556673295.db2.gz YFWRVXSAPADAJU-LGUFXXKBSA-N 1 0 445.006 6.183 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1SCc1ccccc1 ZINC000044874619 556673655 /nfs/dbraw/zinc/67/36/55/556673655.db2.gz RKAHBPUMHNWNRR-UHFFFAOYSA-N 1 0 430.617 5.895 40 0 IKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000044900402 556677118 /nfs/dbraw/zinc/67/71/18/556677118.db2.gz RHMUJEDNFCDHCW-UHFFFAOYSA-N 1 0 427.592 5.734 40 0 IKABRO CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000044916142 556681278 /nfs/dbraw/zinc/68/12/78/556681278.db2.gz XMVXONUGXRSNPL-UHFFFAOYSA-N 1 0 429.004 5.088 40 0 IKABRO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044916254 556681641 /nfs/dbraw/zinc/68/16/41/556681641.db2.gz IEXKPGQSYYSASE-UHFFFAOYSA-N 1 0 442.603 5.395 40 0 IKABRO CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044916364 556681663 /nfs/dbraw/zinc/68/16/63/556681663.db2.gz WGRBZNSFEIIPEG-QFIPXVFZSA-N 1 0 429.004 5.088 40 0 IKABRO COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044937096 556683033 /nfs/dbraw/zinc/68/30/33/556683033.db2.gz RSIAANWTGKPVES-QPPBQGQZSA-N 1 0 429.004 5.464 40 0 IKABRO Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccc(F)cc4Cl)c3)oc2cc1C ZINC000226308480 556684202 /nfs/dbraw/zinc/68/42/02/556684202.db2.gz BEHKMFNFYLLQNV-UHFFFAOYSA-N 1 0 446.727 6.002 40 0 IKABRO CC(C)c1ccc2oc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)nc2c1 ZINC000226308061 556684252 /nfs/dbraw/zinc/68/42/52/556684252.db2.gz LRCTXWVYAKYOCC-UHFFFAOYSA-N 1 0 426.309 5.856 40 0 IKABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000019081963 556696782 /nfs/dbraw/zinc/69/67/82/556696782.db2.gz QSUNDQZKZQFYRI-GJZUVCINSA-N 1 0 449.639 5.519 40 0 IKABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000019081839 556696871 /nfs/dbraw/zinc/69/68/71/556696871.db2.gz NPLWUADKUOXYNA-ATIYNZHBSA-N 1 0 449.639 5.085 40 0 IKABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019082037 556696982 /nfs/dbraw/zinc/69/69/82/556696982.db2.gz ZMJZIXQAQHAMPH-SANMLTNESA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000019082078 556697065 /nfs/dbraw/zinc/69/70/65/556697065.db2.gz RHVZZTODTOPOSR-SANMLTNESA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3cccs3)cc12 ZINC000013564680 556697666 /nfs/dbraw/zinc/69/76/66/556697666.db2.gz RKYZENZNUATALX-UHFFFAOYSA-N 1 0 426.973 5.016 40 0 IKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019120473 556700847 /nfs/dbraw/zinc/70/08/47/556700847.db2.gz ABAMZDGAFDKDBE-WMZHIEFXSA-N 1 0 430.379 6.098 40 0 IKABRO COc1cc(OC)c2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000054219821 556729480 /nfs/dbraw/zinc/72/94/80/556729480.db2.gz JPJMGDBNTBRZHT-UHFFFAOYSA-N 1 0 428.532 5.056 40 0 IKABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(F)c3F)CC[C@@H]21 ZINC000019292751 556732115 /nfs/dbraw/zinc/73/21/15/556732115.db2.gz ARDBDNZWUFBMSI-ONTIZHBOSA-N 1 0 430.564 5.033 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000019294086 556733721 /nfs/dbraw/zinc/73/37/21/556733721.db2.gz ZNKGKJFHYMBIOU-NRFANRHFSA-N 1 0 440.526 5.196 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000019294080 556733821 /nfs/dbraw/zinc/73/38/21/556733821.db2.gz OGAWKTOIIYBTRF-OAQYLSRUSA-N 1 0 440.526 5.196 40 0 IKABRO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000019370896 556748435 /nfs/dbraw/zinc/74/84/35/556748435.db2.gz ISODBYSWWKPDCB-YIXXDRMTSA-N 1 0 448.010 5.437 40 0 IKABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019400700 556753327 /nfs/dbraw/zinc/75/33/27/556753327.db2.gz UPNOWJXQNJEUJY-NBGIEHNGSA-N 1 0 427.539 5.010 40 0 IKABRO Clc1ccc(C2=C[C@@H](c3ccc(OCc4ccccc4)cc3)N3NC=NC3=[NH+]2)cc1Cl ZINC000409058653 556756442 /nfs/dbraw/zinc/75/64/42/556756442.db2.gz UOMNFVXHYGIZJS-QHCPKHFHSA-N 1 0 449.341 5.873 40 0 IKABRO CC(C)Oc1ccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)cc1 ZINC000019450608 556761564 /nfs/dbraw/zinc/76/15/64/556761564.db2.gz JGLPXZVMZOABEA-NRFANRHFSA-N 1 0 429.630 5.046 40 0 IKABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4cnc(C(C)C)nc4)C3)cc2n1 ZINC000019452292 556763114 /nfs/dbraw/zinc/76/31/14/556763114.db2.gz LYTMMXOTUNAYTN-QGZVFWFLSA-N 1 0 446.521 5.165 40 0 IKABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4cnc(C(C)C)nc4)C3)cc2n1 ZINC000019452294 556763197 /nfs/dbraw/zinc/76/31/97/556763197.db2.gz LYTMMXOTUNAYTN-KRWDZBQOSA-N 1 0 446.521 5.165 40 0 IKABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cn(C(C)C)c3cc(F)ccc23)CC1 ZINC000019454771 556764924 /nfs/dbraw/zinc/76/49/24/556764924.db2.gz NNTKWZGYPCAFQU-UHFFFAOYSA-N 1 0 425.523 5.128 40 0 IKABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cn(C(C)C)c3cc(F)ccc23)CC1 ZINC000019454773 556765017 /nfs/dbraw/zinc/76/50/17/556765017.db2.gz XFFCDLDCZKVJGT-UHFFFAOYSA-N 1 0 425.523 5.128 40 0 IKABRO CC1(C)CC(N(Cc2ccncc2)Cc2coc3ccc(Cl)cc3c2=O)CC(C)(C)[NH2+]1 ZINC000019461059 556767450 /nfs/dbraw/zinc/76/74/50/556767450.db2.gz DVXJNNJJLVLBSB-UHFFFAOYSA-N 1 0 439.987 5.153 40 0 IKABRO c1coc(Cn2c(COc3ccc4ccccc4c3)nnc2SCC[NH+]2CCCCC2)c1 ZINC000001356286 556782866 /nfs/dbraw/zinc/78/28/66/556782866.db2.gz UZCRWNJHQGVTBY-UHFFFAOYSA-N 1 0 448.592 5.230 40 0 IKABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)ccc1OC ZINC000019531966 556792387 /nfs/dbraw/zinc/79/23/87/556792387.db2.gz DWZPCKDIPKAXEQ-MRXNPFEDSA-N 1 0 449.473 5.337 40 0 IKABRO CCOc1ccc(C[NH+]2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)cc1OC ZINC000019533746 556793630 /nfs/dbraw/zinc/79/36/30/556793630.db2.gz MISGKERIUTVARS-UHFFFAOYSA-N 1 0 449.473 5.337 40 0 IKABRO Cc1nc2cc(F)ccc2n1C1CC[NH+](CC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000001380388 556796618 /nfs/dbraw/zinc/79/66/18/556796618.db2.gz CWEJFRXFSPLHNR-UHFFFAOYSA-N 1 0 442.538 5.486 40 0 IKABRO Cc1cc(Oc2ccc(NC(=O)[C@@H](C)n3ccnc3C(C)C)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000019570440 556810387 /nfs/dbraw/zinc/81/03/87/556810387.db2.gz KEUDWUGEDZTIGL-LJQANCHMSA-N 1 0 447.583 5.169 40 0 IKABRO CC[NH+](CC)C[C@]1(Sc2ccc(C)cc2)COc2cc(C)c(Br)cc2C1=O ZINC000019596861 556831079 /nfs/dbraw/zinc/83/10/79/556831079.db2.gz JWYHPAKRJMAQAT-QFIPXVFZSA-N 1 0 448.426 5.514 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000006511280 556838216 /nfs/dbraw/zinc/83/82/16/556838216.db2.gz KLLYNFSEJYSLNH-UHFFFAOYSA-N 1 0 445.991 5.981 40 0 IKABRO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CCC[NH+]2CCCCCC2)n1 ZINC000019687007 556841713 /nfs/dbraw/zinc/84/17/13/556841713.db2.gz YHAUMLNGQYLIQR-AREMUKBSSA-N 1 0 437.603 5.440 40 0 IKABRO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CCC[NH+]2CCCCCC2)n1 ZINC000019687004 556841872 /nfs/dbraw/zinc/84/18/72/556841872.db2.gz YHAUMLNGQYLIQR-SANMLTNESA-N 1 0 437.603 5.440 40 0 IKABRO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008573257 556842081 /nfs/dbraw/zinc/84/20/81/556842081.db2.gz BYQJGFLOOFXNPR-KMRXNPHXSA-N 1 0 430.592 6.228 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c(C)n1 ZINC000019688346 556843114 /nfs/dbraw/zinc/84/31/14/556843114.db2.gz KZKWDZNWFQYCGP-HSZRJFAPSA-N 1 0 428.502 5.553 40 0 IKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+](Cc4c(C)nn(C(C)C)c4C)C3)nc2)c1 ZINC000019690229 556845630 /nfs/dbraw/zinc/84/56/30/556845630.db2.gz GEOHUZFSKXDHOM-XMMPIXPASA-N 1 0 432.612 5.455 40 0 IKABRO COCCn1c(C)c(C[N@@H+]2CCC[C@H]2c2cc(-c3cn[nH]c3)cc(C)n2)c2ccccc21 ZINC000019690840 556846580 /nfs/dbraw/zinc/84/65/80/556846580.db2.gz HBJSYBFHZATJEJ-SANMLTNESA-N 1 0 429.568 5.027 40 0 IKABRO COCCn1c(C)c(C[N@@H+]2CCC[C@@H]2c2cc(-c3cn[nH]c3)cc(C)n2)c2ccccc21 ZINC000019690839 556846631 /nfs/dbraw/zinc/84/66/31/556846631.db2.gz HBJSYBFHZATJEJ-AREMUKBSSA-N 1 0 429.568 5.027 40 0 IKABRO O[C@H](C[N@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1)c1ccccc1 ZINC000068605824 556849009 /nfs/dbraw/zinc/84/90/09/556849009.db2.gz NBRSKIIOJFTWJD-WJOKGBTCSA-N 1 0 446.594 6.425 40 0 IKABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019696401 556853430 /nfs/dbraw/zinc/85/34/30/556853430.db2.gz XVBCYNCIZFGILF-QHCPKHFHSA-N 1 0 436.575 5.263 40 0 IKABRO Fc1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccnc4ccccc34)[nH]n2)cc1F ZINC000019703711 556862196 /nfs/dbraw/zinc/86/21/96/556862196.db2.gz FMTDBZYWPPVGMA-VWLOTQADSA-N 1 0 434.490 5.195 40 0 IKABRO COc1cc([C@H]2C=C(c3ccc(Cl)cc3)[NH+]=C3N=CNN32)ccc1OCc1ccccc1 ZINC000408919207 556891710 /nfs/dbraw/zinc/89/17/10/556891710.db2.gz UVIGTIUFJJVTNL-JOCHJYFZSA-N 1 0 444.922 5.228 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019761756 556905236 /nfs/dbraw/zinc/90/52/36/556905236.db2.gz NZTQROPGBPFJIT-NRFANRHFSA-N 1 0 447.627 5.004 40 0 IKABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000072330430 556905506 /nfs/dbraw/zinc/90/55/06/556905506.db2.gz BRZXNEAPIYYDAO-OFVILXPXSA-N 1 0 449.620 5.152 40 0 IKABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000072330453 556905824 /nfs/dbraw/zinc/90/58/24/556905824.db2.gz UPNOWJXQNJEUJY-CPJSRVTESA-N 1 0 427.539 5.010 40 0 IKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000072330497 556906163 /nfs/dbraw/zinc/90/61/63/556906163.db2.gz OMCGVHHFEZRBJQ-NVQXNPDNSA-N 1 0 443.591 5.090 40 0 IKABRO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000072330554 556906682 /nfs/dbraw/zinc/90/66/82/556906682.db2.gz ISODBYSWWKPDCB-KCWPFWIISA-N 1 0 448.010 5.437 40 0 IKABRO Cc1nc(C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019766293 556911245 /nfs/dbraw/zinc/91/12/45/556911245.db2.gz AOAAXFTVDGEDQS-UHFFFAOYSA-N 1 0 443.526 5.037 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC(C)C)c2)C1 ZINC000072352303 556923797 /nfs/dbraw/zinc/92/37/97/556923797.db2.gz ATWYGXQTWXFZGM-GOSISDBHSA-N 1 0 438.593 5.046 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccc(OC)c(OC(C)C)c2)C1 ZINC000072352302 556923918 /nfs/dbraw/zinc/92/39/18/556923918.db2.gz ATWYGXQTWXFZGM-SFHVURJKSA-N 1 0 438.593 5.046 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000072352488 556924472 /nfs/dbraw/zinc/92/44/72/556924472.db2.gz KIYUKUXXJUPXHF-KRWDZBQOSA-N 1 0 432.593 5.181 40 0 IKABRO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)n1 ZINC000072353669 556927599 /nfs/dbraw/zinc/92/75/99/556927599.db2.gz YWKNROIRKRMSAS-HXUWFJFHSA-N 1 0 426.568 5.157 40 0 IKABRO Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000072354212 556929601 /nfs/dbraw/zinc/92/96/01/556929601.db2.gz HVDUTGSWTGSAOB-RUZDIDTESA-N 1 0 445.651 5.554 40 0 IKABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000072354591 556929863 /nfs/dbraw/zinc/92/98/63/556929863.db2.gz KMPZGCHNYVPICN-FQEVSTJZSA-N 1 0 428.458 5.090 40 0 IKABRO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358229 556931778 /nfs/dbraw/zinc/93/17/78/556931778.db2.gz IJHJGWNWYKTLTG-QFIPXVFZSA-N 1 0 426.486 5.465 40 0 IKABRO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H]3Cc3c4ccccc4sc3C(N)=O)c2)n1 ZINC000072370307 556934394 /nfs/dbraw/zinc/93/43/94/556934394.db2.gz OJBNWHNIDVRPTC-HXUWFJFHSA-N 1 0 444.604 5.010 40 0 IKABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1cnc(C(C)C)nc1 ZINC000072370688 556935955 /nfs/dbraw/zinc/93/59/55/556935955.db2.gz QYNZADJDQJERNI-IBGZPJMESA-N 1 0 436.625 5.162 40 0 IKABRO Cc1ccc(COc2ccc([C@@H]3C=C(c4ccc(Cl)cc4)[NH+]=C4N=CNN43)cc2)cc1 ZINC000409059949 556936963 /nfs/dbraw/zinc/93/69/63/556936963.db2.gz ZCEOIHBYPLFCJS-DEOSSOPVSA-N 1 0 428.923 5.528 40 0 IKABRO Clc1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cccc5ncccc45)C3)[nH]n2)c1 ZINC000072371725 556940503 /nfs/dbraw/zinc/94/05/03/556940503.db2.gz LCBGXAHYVXGGOB-LJQANCHMSA-N 1 0 432.955 5.222 40 0 IKABRO COCc1ccc(OC)c(CN2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)c1 ZINC000072372704 556943754 /nfs/dbraw/zinc/94/37/54/556943754.db2.gz CUHHQODFCCBGAR-DEOSSOPVSA-N 1 0 447.583 5.033 40 0 IKABRO Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4cc(Nc5ncccc5C)cc(C)[nH+]4)C3)c2c1 ZINC000072375078 556950735 /nfs/dbraw/zinc/95/07/35/556950735.db2.gz WSNYIUZMMNEQNI-LJQANCHMSA-N 1 0 440.551 5.042 40 0 IKABRO CCc1nnc(Nc2cccc([C@@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)s1 ZINC000072376045 556953723 /nfs/dbraw/zinc/95/37/23/556953723.db2.gz RTMCBCOKGAFNMD-LJQANCHMSA-N 1 0 430.581 5.167 40 0 IKABRO Cc1ccc([C@@H](NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c2ccccc2)cc1 ZINC000020035412 556970012 /nfs/dbraw/zinc/97/00/12/556970012.db2.gz NDPPXKBFISRLEP-PMERELPUSA-N 1 0 446.594 6.073 40 0 IKABRO Cc1c(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000072398618 556970287 /nfs/dbraw/zinc/97/02/87/556970287.db2.gz ZNZQAZSAOJYLLX-CPJSRVTESA-N 1 0 433.596 5.560 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)ccc21 ZINC000020106538 556982920 /nfs/dbraw/zinc/98/29/20/556982920.db2.gz SDKOSOAUIPOZSX-HXUWFJFHSA-N 1 0 425.576 6.299 40 0 IKABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC000118913078 557075172 /nfs/dbraw/zinc/07/51/72/557075172.db2.gz ULILXULMDVDQAM-RUVLJEIRSA-N 1 0 425.657 5.817 40 0 IKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC000118913081 557075553 /nfs/dbraw/zinc/07/55/53/557075553.db2.gz ULILXULMDVDQAM-XJXNGWTOSA-N 1 0 425.657 5.817 40 0 IKABRO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414237 557109685 /nfs/dbraw/zinc/10/96/85/557109685.db2.gz JBYMGGHUFOKKPL-KAOXLYBCSA-N 1 0 433.621 5.154 40 0 IKABRO CCCCC[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343530 557123393 /nfs/dbraw/zinc/12/33/93/557123393.db2.gz INXGAHHQCIHNOR-BPYIEZMESA-N 1 0 443.631 6.897 40 0 IKABRO CC[NH+](CC)CCCNC(=O)C1(Cc2cccc(-c3cc(C)cc(C)c3)c2)CCOCC1 ZINC000585169162 557132527 /nfs/dbraw/zinc/13/25/27/557132527.db2.gz BGUANLHTFBTKOF-UHFFFAOYSA-N 1 0 436.640 5.158 40 0 IKABRO CC[NH+](CC)CCCNC(=O)c1ccc2onc(-c3csc(-c4ccc(C)cc4)n3)c2c1 ZINC000096037910 557165444 /nfs/dbraw/zinc/16/54/44/557165444.db2.gz QGXKSQHOGGYHSH-UHFFFAOYSA-N 1 0 448.592 5.388 40 0 IKABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053470 557166735 /nfs/dbraw/zinc/16/67/35/557166735.db2.gz IDXGAJRDHXWCIQ-HXUWFJFHSA-N 1 0 426.626 5.216 40 0 IKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000022076917 557173673 /nfs/dbraw/zinc/17/36/73/557173673.db2.gz LNOXNNOXPWBLGL-INIZCTEOSA-N 1 0 427.342 5.283 40 0 IKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1cccs1 ZINC000022073950 557173964 /nfs/dbraw/zinc/17/39/64/557173964.db2.gz ZWPYCVRWHIYPKM-DUXBZUBYSA-N 1 0 446.056 6.684 40 0 IKABRO COc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCc1cccnc1 ZINC000022107439 557177483 /nfs/dbraw/zinc/17/74/83/557177483.db2.gz LOYVSKGLFYUTLT-UHFFFAOYSA-N 1 0 433.390 5.634 40 0 IKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCc1cccnc1 ZINC000022107435 557177590 /nfs/dbraw/zinc/17/75/90/557177590.db2.gz HYOJOKBOQLZGCA-UHFFFAOYSA-N 1 0 435.406 5.736 40 0 IKABRO Cc1ccccc1-c1ccc2c(c1)onc2-c1ncc(C(=O)N2CCC([NH+](C)C)CC2)s1 ZINC000096154654 557178603 /nfs/dbraw/zinc/17/86/03/557178603.db2.gz MVCRWVSIGBZRID-UHFFFAOYSA-N 1 0 446.576 5.093 40 0 IKABRO COc1cccc(-c2ccc3nc(C4CC[NH+](CC5CCCCC5)CC4)nn3c2)c1OC ZINC000096155842 557180481 /nfs/dbraw/zinc/18/04/81/557180481.db2.gz NVGWYGSQJNFMAH-UHFFFAOYSA-N 1 0 434.584 5.173 40 0 IKABRO Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000009938553 557194152 /nfs/dbraw/zinc/19/41/52/557194152.db2.gz IOVOKPCGZFAKQF-UHFFFAOYSA-N 1 0 434.352 5.136 40 0 IKABRO COc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2 ZINC000585261962 557197902 /nfs/dbraw/zinc/19/79/02/557197902.db2.gz QJNUZVUZDXCIMY-LBNVMWSVSA-N 1 0 444.550 5.140 40 0 IKABRO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1ccccc1Cl ZINC000026465395 557242339 /nfs/dbraw/zinc/24/23/39/557242339.db2.gz JNTDMWIEZJTRFZ-PGRDOPGGSA-N 1 0 426.944 5.014 40 0 IKABRO Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc23)c1 ZINC000057740310 557257544 /nfs/dbraw/zinc/25/75/44/557257544.db2.gz FJTBGHSWZORENE-BGYRXZFFSA-N 1 0 426.564 5.167 40 0 IKABRO Fc1ccc(C2(CCC[N@@H+]3CCC[C@]4(C3)Nc3ccccc3-n3cccc34)OCCO2)cc1 ZINC000057719637 557258924 /nfs/dbraw/zinc/25/89/24/557258924.db2.gz YAGZFKJJNCUVJW-AREMUKBSSA-N 1 0 447.554 5.013 40 0 IKABRO Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000219960265 557272260 /nfs/dbraw/zinc/27/22/60/557272260.db2.gz IRYVMKIIQSEOOK-UHFFFAOYSA-N 1 0 426.604 6.319 40 0 IKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1C ZINC000219963107 557272639 /nfs/dbraw/zinc/27/26/39/557272639.db2.gz OZRDIUJSOBGOAH-DEOSSOPVSA-N 1 0 440.631 6.249 40 0 IKABRO Cc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219962430 557272676 /nfs/dbraw/zinc/27/26/76/557272676.db2.gz ZNWKLKUSBKWTBP-UHFFFAOYSA-N 1 0 440.631 5.812 40 0 IKABRO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219965065 557272958 /nfs/dbraw/zinc/27/29/58/557272958.db2.gz NNHYBROFLXOCCE-UHFFFAOYSA-N 1 0 438.959 5.038 40 0 IKABRO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000102710823 557305931 /nfs/dbraw/zinc/30/59/31/557305931.db2.gz BTUTYNXWDXRDAN-GLWFCPOZSA-N 1 0 431.576 5.335 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215588 557342241 /nfs/dbraw/zinc/34/22/41/557342241.db2.gz KXFUMLGRZSUDOC-DEOSSOPVSA-N 1 0 435.612 6.493 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215791 557342567 /nfs/dbraw/zinc/34/25/67/557342567.db2.gz WTHVZZBIDYHXQQ-DEOSSOPVSA-N 1 0 429.564 6.492 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215671 557342663 /nfs/dbraw/zinc/34/26/63/557342663.db2.gz KXOBNANCGZVSSZ-DEOSSOPVSA-N 1 0 435.612 6.493 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2ccncc2)CC1 ZINC000072345106 557377379 /nfs/dbraw/zinc/37/73/79/557377379.db2.gz FZLMKSBRMJKNRY-UHFFFAOYSA-N 1 0 427.592 5.098 40 0 IKABRO C[NH+]1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000222734610 557381185 /nfs/dbraw/zinc/38/11/85/557381185.db2.gz AASMPIVCMAUCHE-UHFFFAOYSA-N 1 0 439.408 5.338 40 0 IKABRO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113958638 557381694 /nfs/dbraw/zinc/38/16/94/557381694.db2.gz RRDRKQRGKXJZFX-UHFFFAOYSA-N 1 0 442.559 5.180 40 0 IKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000113958912 557381836 /nfs/dbraw/zinc/38/18/36/557381836.db2.gz FOROABYTDVLMHS-OAQYLSRUSA-N 1 0 430.567 5.771 40 0 IKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958860 557381857 /nfs/dbraw/zinc/38/18/57/557381857.db2.gz FEGIODQEQKCSOY-QHCPKHFHSA-N 1 0 426.604 5.941 40 0 IKABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013778091 557388731 /nfs/dbraw/zinc/38/87/31/557388731.db2.gz KYVWHOUGNSMFTK-SAAIGDAKSA-N 1 0 444.575 5.155 40 0 IKABRO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013778094 557388774 /nfs/dbraw/zinc/38/87/74/557388774.db2.gz KYVWHOUGNSMFTK-FQLPYIGMSA-N 1 0 444.575 5.155 40 0 IKABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014013618 557418382 /nfs/dbraw/zinc/41/83/82/557418382.db2.gz RSPBMUOSLOTIDH-AREMUKBSSA-N 1 0 428.576 5.086 40 0 IKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103705 557431753 /nfs/dbraw/zinc/43/17/53/557431753.db2.gz DBEXEEYLQCJPTP-VWLOTQADSA-N 1 0 425.016 5.698 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C(C)C ZINC000223349403 557461117 /nfs/dbraw/zinc/46/11/17/557461117.db2.gz GURDBURKLOWALV-LJQANCHMSA-N 1 0 443.031 5.870 40 0 IKABRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000015931500 557466915 /nfs/dbraw/zinc/46/69/15/557466915.db2.gz XKSWRUYYSKZLQA-AZGAKELHSA-N 1 0 446.978 5.676 40 0 IKABRO COc1c(Br)cc(Br)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000016194478 557470520 /nfs/dbraw/zinc/47/05/20/557470520.db2.gz QSGNMKAHAVLYNR-UHFFFAOYSA-N 1 0 429.196 5.279 40 0 IKABRO c1coc([C@H]2[C@H](c3ccccc3)[NH2+][C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)c1 ZINC000016478167 557474298 /nfs/dbraw/zinc/47/42/98/557474298.db2.gz DDHXGJCURYWKBG-CHQNGUEUSA-N 1 0 439.558 7.416 40 0 IKABRO c1coc([C@H]2[C@@H](c3ccccc3)[NH2+][C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)c1 ZINC000016478170 557474319 /nfs/dbraw/zinc/47/43/19/557474319.db2.gz DDHXGJCURYWKBG-YPKYBTACSA-N 1 0 439.558 7.416 40 0 IKABRO C[C@@H]([NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000016576113 557474399 /nfs/dbraw/zinc/47/43/99/557474399.db2.gz BIGKELGMKWTPQK-ODAWRTACSA-N 1 0 443.606 7.252 40 0 IKABRO O=C(NCCOc1ccc2ccccc2c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223582231 557488678 /nfs/dbraw/zinc/48/86/78/557488678.db2.gz SCQZPGKRRKVZEC-UHFFFAOYSA-N 1 0 436.555 5.207 40 0 IKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000019630935 557506813 /nfs/dbraw/zinc/50/68/13/557506813.db2.gz HDNZRXSVMRQPHT-UHFFFAOYSA-N 1 0 439.968 5.323 40 0 IKABRO Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1C ZINC000224259960 557582139 /nfs/dbraw/zinc/58/21/39/557582139.db2.gz GIILFJAXNVQRPR-RPWUZVMVSA-N 1 0 425.561 5.061 40 0 IKABRO CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224327422 557592262 /nfs/dbraw/zinc/59/22/62/557592262.db2.gz PTXVWRXNTXWPAH-RPWUZVMVSA-N 1 0 425.561 5.007 40 0 IKABRO CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224327372 557592266 /nfs/dbraw/zinc/59/22/66/557592266.db2.gz PTXVWRXNTXWPAH-ZEQRLZLVSA-N 1 0 425.561 5.007 40 0 IKABRO CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224327514 557592297 /nfs/dbraw/zinc/59/22/97/557592297.db2.gz PTXVWRXNTXWPAH-DNQXCXABSA-N 1 0 425.561 5.007 40 0 IKABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224352599 557596867 /nfs/dbraw/zinc/59/68/67/557596867.db2.gz CZWOWRRMKHCGCC-UHFFFAOYSA-N 1 0 447.391 5.363 40 0 IKABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1c1ccc(Cl)cc1 ZINC000224456931 557608352 /nfs/dbraw/zinc/60/83/52/557608352.db2.gz CTVKSMXDDASFJZ-FCHUYYIVSA-N 1 0 431.952 5.098 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224618495 557631571 /nfs/dbraw/zinc/63/15/71/557631571.db2.gz ZILSAMLCYRLFPT-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224628348 557632929 /nfs/dbraw/zinc/63/29/29/557632929.db2.gz PRQGQSHPWHXPFK-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)cc1 ZINC000224759206 557648605 /nfs/dbraw/zinc/64/86/05/557648605.db2.gz QPLMUNSPNBQDAT-UHFFFAOYSA-N 1 0 430.617 5.813 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224792631 557651620 /nfs/dbraw/zinc/65/16/20/557651620.db2.gz JRPOVBNSWJTRFM-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224807231 557653537 /nfs/dbraw/zinc/65/35/37/557653537.db2.gz RCJGKOOJPJPSIU-LGUFXXKBSA-N 1 0 445.006 6.183 40 0 IKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000224871393 557660609 /nfs/dbraw/zinc/66/06/09/557660609.db2.gz GSNAZFNFBZRYSK-HSZRJFAPSA-N 1 0 441.015 5.751 40 0 IKABRO Cc1nc(-c2cccc(NC(=S)NCCNc3cc(C)[nH+]c4ccccc34)c2)cs1 ZINC000225218689 557701555 /nfs/dbraw/zinc/70/15/55/557701555.db2.gz HNOPRAJXAYILEZ-UHFFFAOYSA-N 1 0 433.606 5.374 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCCCC4)cc3)CCCC2)c1 ZINC000225510415 557732418 /nfs/dbraw/zinc/73/24/18/557732418.db2.gz MKNSFECUYQYPIB-UHFFFAOYSA-N 1 0 434.624 6.090 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)CCCC2)cc1 ZINC000225512953 557732848 /nfs/dbraw/zinc/73/28/48/557732848.db2.gz ULIBBUFZYMCXHC-DHIUTWEWSA-N 1 0 434.624 5.802 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCC(C)CC4)cc3)CCCC2)cc1 ZINC000225513314 557732972 /nfs/dbraw/zinc/73/29/72/557732972.db2.gz JONVPTSUSINBDB-UHFFFAOYSA-N 1 0 434.624 5.946 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225520948 557734870 /nfs/dbraw/zinc/73/48/70/557734870.db2.gz HEOSAJOLRFCEMU-UHFFFAOYSA-N 1 0 438.587 5.921 40 0 IKABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)CC1 ZINC000225523010 557735326 /nfs/dbraw/zinc/73/53/26/557735326.db2.gz DXERIOIWUWVVJV-UHFFFAOYSA-N 1 0 441.015 5.901 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225522919 557735382 /nfs/dbraw/zinc/73/53/82/557735382.db2.gz STIWRECKVJWOHM-UHFFFAOYSA-N 1 0 426.988 5.655 40 0 IKABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225523135 557735392 /nfs/dbraw/zinc/73/53/92/557735392.db2.gz JXMHHAGBINIOIP-HXUWFJFHSA-N 1 0 441.015 6.044 40 0 IKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225523431 557735563 /nfs/dbraw/zinc/73/55/63/557735563.db2.gz RDPMERGFBRWSEB-UHFFFAOYSA-N 1 0 429.004 5.901 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225523329 557735578 /nfs/dbraw/zinc/73/55/78/557735578.db2.gz NCHURUVTZQAPLD-UHFFFAOYSA-N 1 0 441.015 6.045 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCC2)cc1 ZINC000225531589 557737639 /nfs/dbraw/zinc/73/76/39/557737639.db2.gz AKTIBDRJIIRAAU-NRFANRHFSA-N 1 0 436.596 5.399 40 0 IKABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534329 557738073 /nfs/dbraw/zinc/73/80/73/557738073.db2.gz ZNYUPJLFAQHRGR-DHIUTWEWSA-N 1 0 434.624 5.884 40 0 IKABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534701 557738080 /nfs/dbraw/zinc/73/80/80/557738080.db2.gz ZIDYAOMGDXSQIO-HSZRJFAPSA-N 1 0 434.624 6.028 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@@H]4C)cc3)CCCCC2)c1 ZINC000225539847 557738835 /nfs/dbraw/zinc/73/88/35/557738835.db2.gz NOMRMDVPMKGMCB-QHCPKHFHSA-N 1 0 434.624 6.089 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCCCC2)c1 ZINC000225539896 557738903 /nfs/dbraw/zinc/73/89/03/557738903.db2.gz FHOKZLOZHOOOTM-PSWAGMNNSA-N 1 0 448.651 6.192 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)cc1 ZINC000225542359 557739259 /nfs/dbraw/zinc/73/92/59/557739259.db2.gz DCVSNWRUHOQRMO-HSZRJFAPSA-N 1 0 434.624 5.946 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@@H]4C)cc3)CCCCC2)cc1 ZINC000225542405 557739292 /nfs/dbraw/zinc/73/92/92/557739292.db2.gz GGYAFOILQCWBMK-QHCPKHFHSA-N 1 0 434.624 6.089 40 0 IKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)CC2)cc1 ZINC000225549665 557740670 /nfs/dbraw/zinc/74/06/70/557740670.db2.gz GPAYOSQYFMUACH-UHFFFAOYSA-N 1 0 426.973 5.018 40 0 IKABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC000225556179 557741937 /nfs/dbraw/zinc/74/19/37/557741937.db2.gz XYTMALNCOVHBFW-UHFFFAOYSA-N 1 0 435.395 5.774 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCCCC2)cc1 ZINC000225558804 557742382 /nfs/dbraw/zinc/74/23/82/557742382.db2.gz IQSDJKJFIPZQGT-UHFFFAOYSA-N 1 0 436.596 5.401 40 0 IKABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225581900 557746806 /nfs/dbraw/zinc/74/68/06/557746806.db2.gz HHOIOVVDSOUGFQ-JOCHJYFZSA-N 1 0 427.683 5.920 40 0 IKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225615824 557752609 /nfs/dbraw/zinc/75/26/09/557752609.db2.gz WWZWIXVLJVGFMS-JOCHJYFZSA-N 1 0 432.649 5.603 40 0 IKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225652208 557757236 /nfs/dbraw/zinc/75/72/36/557757236.db2.gz RERRGOPGEGKVBV-AREMUKBSSA-N 1 0 432.649 6.036 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCCCC1 ZINC000225659868 557758412 /nfs/dbraw/zinc/75/84/12/557758412.db2.gz VXNHQVDVEXSQCS-UHFFFAOYSA-N 1 0 430.633 5.790 40 0 IKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225664151 557758978 /nfs/dbraw/zinc/75/89/78/557758978.db2.gz SARCKGSJWYGOFB-GJZUVCINSA-N 1 0 430.633 5.501 40 0 IKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225663335 557759019 /nfs/dbraw/zinc/75/90/19/557759019.db2.gz VOAURTKTVRYFMO-BILGYAHESA-N 1 0 430.633 5.357 40 0 IKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225664203 557759099 /nfs/dbraw/zinc/75/90/99/557759099.db2.gz SARCKGSJWYGOFB-NVQXNPDNSA-N 1 0 430.633 5.501 40 0 IKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225664393 557759109 /nfs/dbraw/zinc/75/91/09/557759109.db2.gz JRHCBICLQWPNQT-GJZUVCINSA-N 1 0 430.633 5.646 40 0 IKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225664335 557759114 /nfs/dbraw/zinc/75/91/14/557759114.db2.gz XUAOYKPJHRETSU-UFPGJGBJSA-N 1 0 430.633 5.644 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225696245 557765564 /nfs/dbraw/zinc/76/55/64/557765564.db2.gz OPLKKICZTYAUML-DHIUTWEWSA-N 1 0 446.676 5.849 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225742457 557771596 /nfs/dbraw/zinc/77/15/96/557771596.db2.gz HDALBOVNWYECBC-UHFFFAOYSA-N 1 0 432.649 5.747 40 0 IKABRO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903896 557790111 /nfs/dbraw/zinc/79/01/11/557790111.db2.gz XQWZMEHORIKUKF-NVXWUHKLSA-N 1 0 447.804 5.292 40 0 IKABRO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000059436979 557820879 /nfs/dbraw/zinc/82/08/79/557820879.db2.gz FWISKGKVKNTSKW-UHFFFAOYSA-N 1 0 439.481 5.280 40 0 IKABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH+](Cc2cccs2)Cc2cccs2)OC3)cc1 ZINC000096269295 560054295 /nfs/dbraw/zinc/05/42/95/560054295.db2.gz MOJLSPUZMIHWRD-IBGZPJMESA-N 1 0 439.581 5.413 40 0 biogenic,in-vitro IKABRO COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccncc4)C=C3C)o2)cc1 ZINC000030883277 560089645 /nfs/dbraw/zinc/08/96/45/560089645.db2.gz LFWGKDYIULAZNX-LSQMVHIFSA-N 1 0 446.595 5.327 40 0 biogenic,in-vitro IKABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NCc3ccccc3)no2)cc1 ZINC000015673706 560230791 /nfs/dbraw/zinc/23/07/91/560230791.db2.gz MIUYQMSFKOBPSX-GOTSBHOMSA-N 1 0 445.607 5.114 40 0 biogenic,in-vitro IKABRO O[C@@H](C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1 ZINC000015771323 568822568 /nfs/dbraw/zinc/82/25/68/568822568.db2.gz HIWACAWXLCCNCU-HKBQPEDESA-N 1 0 428.555 6.709 40 0 IKABRO CC(C)c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)cc1 ZINC000585109522 568872730 /nfs/dbraw/zinc/87/27/30/568872730.db2.gz ARDINQZFTYLKQG-UNCTUWKVSA-N 1 0 432.608 5.013 40 0 IKABRO COc1cccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(Cc4ccc(Cl)cc4)C[C@@H]32)c1 ZINC000585169168 568873129 /nfs/dbraw/zinc/87/31/29/568873129.db2.gz PBWQQRRTLXQGFK-JCYYIGJDSA-N 1 0 447.022 5.839 40 0 IKABRO COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(OC)cc4)cc(C)[nH+]3)C2)cc1 ZINC000585169164 568873221 /nfs/dbraw/zinc/87/32/21/568873221.db2.gz LGDPWEFXTDDUKT-JOCHJYFZSA-N 1 0 445.563 5.308 40 0 IKABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(Cc4cccs4)C[C@@H]32)cc1OC ZINC000585169107 568873252 /nfs/dbraw/zinc/87/32/52/568873252.db2.gz CGDJXXJHEBOUJK-UBFVSLLYSA-N 1 0 448.632 5.255 40 0 IKABRO O=C1C[C@H](c2ccccc2)[C@@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2ccncc2)N1Cc1ccc(F)cc1 ZINC000585261780 568873660 /nfs/dbraw/zinc/87/36/60/568873660.db2.gz JZLVCSBHUYCUCO-ASUDMDKOSA-N 1 0 443.566 5.064 40 0 IKABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)cc1 ZINC000585262928 568873837 /nfs/dbraw/zinc/87/38/37/568873837.db2.gz PWVWLPJMWNDAIB-IBGZPJMESA-N 1 0 432.955 5.438 40 0 IKABRO CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000585293285 568874650 /nfs/dbraw/zinc/87/46/50/568874650.db2.gz ZBQHPJCXJXDMCW-YGPDHOBYSA-N 1 0 442.043 6.722 40 0 IKABRO COC1(COc2ccc(C)cc2C)CC[NH+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CC1 ZINC000585287343 568874699 /nfs/dbraw/zinc/87/46/99/568874699.db2.gz MXMARDTZEGNMMM-LDNJAJMQSA-N 1 0 437.624 5.252 40 0 IKABRO COC1(COc2cccc(Cl)c2)CC[NH+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CC1 ZINC000585287243 568874789 /nfs/dbraw/zinc/87/47/89/568874789.db2.gz LIYSPTYTKARGIM-WZJNIGMMSA-N 1 0 444.015 5.289 40 0 IKABRO Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC000103796941 568899547 /nfs/dbraw/zinc/89/95/47/568899547.db2.gz UMEWCIAJSNIUJY-RZPFDVGOSA-N 1 0 449.615 5.357 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1C ZINC000002546447 569097366 /nfs/dbraw/zinc/09/73/66/569097366.db2.gz WPFDHGLOCYBXTF-QHCPKHFHSA-N 1 0 439.024 6.846 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c1C ZINC000002546442 569097381 /nfs/dbraw/zinc/09/73/81/569097381.db2.gz QTYSJIAALFEGPV-DEOSSOPVSA-N 1 0 436.596 6.578 40 0 IKABRO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000002546361 569097507 /nfs/dbraw/zinc/09/75/07/569097507.db2.gz SAGVWXDNZIIQSR-XMMPIXPASA-N 1 0 434.605 6.201 40 0 IKABRO CCc1cc([C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551843 569098017 /nfs/dbraw/zinc/09/80/17/569098017.db2.gz SEAZZFYKGISAHD-DEOSSOPVSA-N 1 0 436.596 6.523 40 0 IKABRO O=C(NCCSCc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063287 569219816 /nfs/dbraw/zinc/21/98/16/569219816.db2.gz WPMCJZSBETYJMP-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063622 569219969 /nfs/dbraw/zinc/21/99/69/569219969.db2.gz BSNZRWRPFBXSQR-UHFFFAOYSA-N 1 0 438.930 6.122 40 0 IKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019235948 569226114 /nfs/dbraw/zinc/22/61/14/569226114.db2.gz YPMYTOKLIJGYTK-BKMJKUGQSA-N 1 0 435.612 5.048 40 0 IKABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000019450868 569226541 /nfs/dbraw/zinc/22/65/41/569226541.db2.gz LRWDIRNFKZDFFZ-FYYLOGMGSA-N 1 0 441.641 5.190 40 0 IKABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402665 569226560 /nfs/dbraw/zinc/22/65/60/569226560.db2.gz NVEUZSABFSVOCN-RPLLCQBOSA-N 1 0 440.591 5.013 40 0 IKABRO CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702530 569232091 /nfs/dbraw/zinc/23/20/91/569232091.db2.gz NGUZYUPIUPVIQS-LJQANCHMSA-N 1 0 437.609 5.022 40 0 IKABRO Cc1nc([C@@]2(O)CCC[N@@H+](C3CCCCC3)CC2)sc1CCOc1ccccc1F ZINC000019705420 569234308 /nfs/dbraw/zinc/23/43/08/569234308.db2.gz SYWKJRLFUZNTHF-XMMPIXPASA-N 1 0 432.605 5.218 40 0 IKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2)C1 ZINC000019711769 569234945 /nfs/dbraw/zinc/23/49/45/569234945.db2.gz DPKKXGORWWNGGL-HUVFLSCGSA-N 1 0 438.616 5.127 40 0 IKABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)Cn3c(C)nc4cc(C)c(C)cc43)c2)C1 ZINC000019712187 569235218 /nfs/dbraw/zinc/23/52/18/569235218.db2.gz JPEYEJRZQFQRRW-BVAGGSTKSA-N 1 0 448.611 5.162 40 0 IKABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)c2)C1 ZINC000019712233 569235374 /nfs/dbraw/zinc/23/53/74/569235374.db2.gz WVIMOYOEWDMDMA-QPPBQGQZSA-N 1 0 436.531 5.030 40 0 IKABRO Cc1nc([C@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019738748 569235883 /nfs/dbraw/zinc/23/58/83/569235883.db2.gz ZWGUCVYAQBWNRD-QHCPKHFHSA-N 1 0 438.584 5.071 40 0 IKABRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000024595291 569241863 /nfs/dbraw/zinc/24/18/63/569241863.db2.gz ZFUZRBXKSWAIQR-UHFFFAOYSA-N 1 0 430.335 5.258 40 0 IKABRO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(Oc4ccccc4)c3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257202607 569275572 /nfs/dbraw/zinc/27/55/72/569275572.db2.gz AMOXDEHFTNDFQK-WNCULLNHSA-N 1 0 448.513 5.395 40 0 IKABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)c1C ZINC000257202442 569275641 /nfs/dbraw/zinc/27/56/41/569275641.db2.gz ALUJQIFISVDCOH-XMMPIXPASA-N 1 0 449.038 6.639 40 0 IKABRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)c1C ZINC000257202441 569275658 /nfs/dbraw/zinc/27/56/58/569275658.db2.gz ALUJQIFISVDCOH-DEOSSOPVSA-N 1 0 449.038 6.639 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cn(C(C)C)c3ccccc23)C1 ZINC000257206089 569275696 /nfs/dbraw/zinc/27/56/96/569275696.db2.gz BBUQVGSCWZCUKA-GOSISDBHSA-N 1 0 431.605 5.786 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](Cc2ccccn2)CC1 ZINC000257206165 569275768 /nfs/dbraw/zinc/27/57/68/569275768.db2.gz BCDJRSMXYQPKKF-UHFFFAOYSA-N 1 0 445.582 5.237 40 0 IKABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257210094 569275883 /nfs/dbraw/zinc/27/58/83/569275883.db2.gz BTCVWEADEOBJML-JOCHJYFZSA-N 1 0 446.570 5.102 40 0 IKABRO CCOc1ccc(COC)cc1C[N@@H+]1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257219147 569276177 /nfs/dbraw/zinc/27/61/77/569276177.db2.gz DFUMHQMTJLBJAV-XMMPIXPASA-N 1 0 448.582 5.736 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH+](Cc2cccnc2)CC1 ZINC000257222809 569276304 /nfs/dbraw/zinc/27/63/04/569276304.db2.gz DUTQJYABUGDWPE-UHFFFAOYSA-N 1 0 445.582 5.239 40 0 IKABRO Cc1nccn1[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCc2ccccc2)[C@H]1O ZINC000257232037 569276415 /nfs/dbraw/zinc/27/64/15/569276415.db2.gz GJEAUQGQHBVRGW-VDKIKQQVSA-N 1 0 439.987 5.010 40 0 IKABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257228739 569276453 /nfs/dbraw/zinc/27/64/53/569276453.db2.gz FVAISXRFJLRWMY-WNCULLNHSA-N 1 0 448.513 5.395 40 0 IKABRO Cc1cccc(C[N@@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 ZINC000257229020 569276538 /nfs/dbraw/zinc/27/65/38/569276538.db2.gz FWGVSTXRPGCINX-FUDKSRODSA-N 1 0 431.502 5.173 40 0 IKABRO Cc1cccc(Cc2cncc([C@H]3CCC[N@@H+]3Cc3cccc(OC[C@@H]4CCCO4)c3)n2)c1 ZINC000257232876 569276660 /nfs/dbraw/zinc/27/66/60/569276660.db2.gz GMUOGKSIRYFORM-XTEPFMGCSA-N 1 0 443.591 5.271 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)c2ccc(F)cc21 ZINC000257240493 569276888 /nfs/dbraw/zinc/27/68/88/569276888.db2.gz HTTBTFYFFDGAFA-AREMUKBSSA-N 1 0 431.530 6.262 40 0 IKABRO Cc1c(C[N@@H+]2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)oc2ccc(C)cc12 ZINC000257241914 569276933 /nfs/dbraw/zinc/27/69/33/569276933.db2.gz IAFKJXIADCKNDQ-XUZZJYLKSA-N 1 0 447.623 6.093 40 0 IKABRO Cc1cc2ccccc2n1CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000257244956 569276941 /nfs/dbraw/zinc/27/69/41/569276941.db2.gz INLXLADZMCDXMY-AREMUKBSSA-N 1 0 430.596 5.131 40 0 IKABRO C[C@H](c1ccncc1)N1CCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000257253342 569277153 /nfs/dbraw/zinc/27/71/53/569277153.db2.gz JYNCIIWGLXPXPJ-KDOFPFPSSA-N 1 0 443.498 5.770 40 0 IKABRO CCNc1nc(C)c(C(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)s1 ZINC000257255053 569277160 /nfs/dbraw/zinc/27/71/60/569277160.db2.gz KFXDQBAPHSUQDC-INIZCTEOSA-N 1 0 439.560 5.099 40 0 IKABRO Cc1nc(Nc2cncc(C3CC[NH+](Cc4cn(C)c5ccccc45)CC3)n2)sc1C ZINC000257251581 569277171 /nfs/dbraw/zinc/27/71/71/569277171.db2.gz JRINAUAIBXKBOJ-UHFFFAOYSA-N 1 0 432.597 5.165 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2ccccn2)CC1 ZINC000257250917 569277186 /nfs/dbraw/zinc/27/71/86/569277186.db2.gz JONVHKCNXVUYBP-UHFFFAOYSA-N 1 0 427.592 5.100 40 0 IKABRO Cc1cccc(C[NH+]2CCC(Cc3cccc(-c4ccccc4C)c3)(C(=O)N(C)C)CC2)n1 ZINC000257257808 569277300 /nfs/dbraw/zinc/27/73/00/569277300.db2.gz KREJBYLNDPSDQI-UHFFFAOYSA-N 1 0 441.619 5.279 40 0 IKABRO Cc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257261914 569277428 /nfs/dbraw/zinc/27/74/28/569277428.db2.gz LJHXPLUBYRCLKC-LBNVMWSVSA-N 1 0 428.551 5.439 40 0 IKABRO COCc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4cccc(OC)c4)cc(C)[nH+]3)C2)cc1 ZINC000257277746 569277840 /nfs/dbraw/zinc/27/78/40/569277840.db2.gz NZETXMPGTQTOMG-QFIPXVFZSA-N 1 0 445.563 5.308 40 0 IKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+]3Cc3c(C)cc(OC)c(C)c3C)nc2)c1 ZINC000257288441 569278078 /nfs/dbraw/zinc/27/80/78/569278078.db2.gz PUFFEZUMDPVJBC-MHZLTWQESA-N 1 0 430.592 5.952 40 0 IKABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)no1 ZINC000257286182 569278085 /nfs/dbraw/zinc/27/80/85/569278085.db2.gz PKQFCRNCZRHSLT-DEOSSOPVSA-N 1 0 443.591 5.784 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)c2cc(OC)ccc21 ZINC000257290412 569278235 /nfs/dbraw/zinc/27/82/35/569278235.db2.gz QCVQANAKEHEMQS-DEOSSOPVSA-N 1 0 442.567 5.244 40 0 IKABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)[nH+]1 ZINC000257295238 569278410 /nfs/dbraw/zinc/27/84/10/569278410.db2.gz QXNVSKYMYUCAFM-QGZVFWFLSA-N 1 0 426.973 5.192 40 0 IKABRO CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000257298265 569278526 /nfs/dbraw/zinc/27/85/26/569278526.db2.gz RKYTVVMERNCTPQ-UHFFFAOYSA-N 1 0 445.582 5.157 40 0 IKABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCCCC[C@@H]2[NH2+][C@@H](Cc3ccccc3)C[C@H]21 ZINC000257298726 569278565 /nfs/dbraw/zinc/27/85/65/569278565.db2.gz RNAOHODLZVHGNH-WDDWZANVSA-N 1 0 429.608 5.072 40 0 IKABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)c1C ZINC000257308634 569278893 /nfs/dbraw/zinc/27/88/93/569278893.db2.gz TXMBLKCBOOZFJM-XMMPIXPASA-N 1 0 443.591 5.161 40 0 IKABRO CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CC[NH+](Cc2ccccn2)CC1 ZINC000257312689 569278962 /nfs/dbraw/zinc/27/89/62/569278962.db2.gz UPCNHLBJDNNEGF-UHFFFAOYSA-N 1 0 427.592 5.018 40 0 IKABRO COc1ccc(Cc2ccc(C3CC[NH+](Cc4c(C)[nH]c5ccc(F)cc54)CC3)nc2)cc1 ZINC000257318627 569279128 /nfs/dbraw/zinc/27/91/28/569279128.db2.gz VOTHRGWOYHVJRH-UHFFFAOYSA-N 1 0 443.566 5.989 40 0 IKABRO CC1(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)CC[NH+](C2CCCC2)CC1 ZINC000257329518 569279531 /nfs/dbraw/zinc/27/95/31/569279531.db2.gz XKHSTYZRNNTAQV-OAQYLSRUSA-N 1 0 448.611 5.020 40 0 IKABRO Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)n2)n1 ZINC000257332090 569279542 /nfs/dbraw/zinc/27/95/42/569279542.db2.gz XVRWJYVTLJSVQM-OAQYLSRUSA-N 1 0 433.600 5.059 40 0 IKABRO CC(C)n1c(C[N@@H+]2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc2ccccc21 ZINC000257339169 569279613 /nfs/dbraw/zinc/27/96/13/569279613.db2.gz ZAMAXNDJDIBMRI-HSZRJFAPSA-N 1 0 442.582 6.122 40 0 IKABRO Cc1c(C)n(CCC(=O)N2CCCCC[C@@H]3[NH2+][C@@H](Cc4ccccc4)C[C@H]32)c2ccccc12 ZINC000257337613 569279649 /nfs/dbraw/zinc/27/96/49/569279649.db2.gz YTOJCDBCVNEOPH-GYGTVUFYSA-N 1 0 443.635 5.393 40 0 IKABRO CC(C)n1c(C[NH+]2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)nc2ccccc21 ZINC000257335443 569279712 /nfs/dbraw/zinc/27/97/12/569279712.db2.gz YKEJOUVUIYJLON-UHFFFAOYSA-N 1 0 442.582 6.122 40 0 IKABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257340300 569279798 /nfs/dbraw/zinc/27/97/98/569279798.db2.gz ZFKGLDNOSBVOEG-JOCHJYFZSA-N 1 0 440.509 6.079 40 0 IKABRO Cc1cccc(C[NH+]2CCC(Cc3ccccc3-c3cccs3)(C(=O)NC(C)C)CC2)n1 ZINC000257342944 569279848 /nfs/dbraw/zinc/27/98/48/569279848.db2.gz ZQRYKLWGHMSXRX-UHFFFAOYSA-N 1 0 447.648 5.468 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@H](C)C4)cc3)CCCCC2)cc1 ZINC000260818181 569281840 /nfs/dbraw/zinc/28/18/40/569281840.db2.gz WSGCRJWGYRXMOW-DEOSSOPVSA-N 1 0 448.651 6.336 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@H]4C)cc3)CCCCC2)c1 ZINC000260817039 569281843 /nfs/dbraw/zinc/28/18/43/569281843.db2.gz UZMZYMAPKLIZPQ-XMMPIXPASA-N 1 0 448.651 6.479 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814759 569281904 /nfs/dbraw/zinc/28/19/04/569281904.db2.gz NINRTMZXLKOOEL-AOJNWGRGSA-N 1 0 430.633 5.501 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260818204 569281906 /nfs/dbraw/zinc/28/19/06/569281906.db2.gz XRRCQOMIMJVNFR-JOCHJYFZSA-N 1 0 430.633 5.788 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814474 569281940 /nfs/dbraw/zinc/28/19/40/569281940.db2.gz IWZFSFOKYKEARI-HSZRJFAPSA-N 1 0 446.676 6.136 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812568 569281946 /nfs/dbraw/zinc/28/19/46/569281946.db2.gz GUZLUUPJMDREOH-QHCPKHFHSA-N 1 0 446.676 5.993 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C(C)C ZINC000260934919 569282029 /nfs/dbraw/zinc/28/20/29/569282029.db2.gz NLTIXJDTXBSUFV-CTNGQTDRSA-N 1 0 443.031 5.870 40 0 IKABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000328978805 569285143 /nfs/dbraw/zinc/28/51/43/569285143.db2.gz GBNILTXSTUCDEQ-UHFFFAOYSA-N 1 0 429.406 5.670 40 0 IKABRO CCCCCCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009272005 569294952 /nfs/dbraw/zinc/29/49/52/569294952.db2.gz IOJSASXMHFMQDT-IJYKJPCMSA-N 1 0 434.451 7.353 40 0 IKABRO O=C1[C@@H](C2CC[NH+](Cc3cccc4ncccc34)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000019698447 569326895 /nfs/dbraw/zinc/32/68/95/569326895.db2.gz JYGPVYCAGXCNCT-AREMUKBSSA-N 1 0 443.566 5.191 40 0 IKABRO CC[N@H+](Cc1ccnc2ccccc12)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 ZINC000019712716 569327645 /nfs/dbraw/zinc/32/76/45/569327645.db2.gz MDCMCFJSWBROFB-BVAGGSTKSA-N 1 0 431.580 5.115 40 0 IKABRO O=C1CCC[C@@H]2[C@H](C[C@H](c3ccc(C(F)(F)F)cc3)[N@H+]2Cc2cccc3cccnc32)N1 ZINC000019713849 569327838 /nfs/dbraw/zinc/32/78/38/569327838.db2.gz JVYIEASJNVWOMP-BHDDXSALSA-N 1 0 439.481 5.238 40 0 IKABRO CC1=C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883473 291401139 /nfs/dbraw/zinc/40/11/39/291401139.db2.gz USMCCXXYIJQCIM-FUDKSRODSA-N 1 0 434.559 5.458 40 0 biogenic,in-vitro IKABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccn4)C=C3C)o2)cc1 ZINC000030883136 291401146 /nfs/dbraw/zinc/40/11/46/291401146.db2.gz ZNBRGKRSUQTAJM-LSQMVHIFSA-N 1 0 430.596 5.627 40 0 biogenic,in-vitro IKABRO CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]C2CCCCC2)nc(-c2ccncc2)n1 ZINC000039960787 291401371 /nfs/dbraw/zinc/40/13/71/291401371.db2.gz DSYIBMDTIYUXMT-CAOCKLPOSA-N 1 0 447.671 5.542 40 0 biogenic,in-vitro IKABRO COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4)C=C3C)nc2c1 ZINC000072320997 291404954 /nfs/dbraw/zinc/40/49/54/291404954.db2.gz WRLNJQSNVHLIOP-HJOGWXRNSA-N 1 0 445.607 5.536 40 0 biogenic,in-vitro IKABRO COc1ccccc1N1CC[NH+](CC[C@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1 ZINC000003941064 132268349 /nfs/dbraw/zinc/26/83/49/132268349.db2.gz GXVHRYDXBSTHCF-NDEPHWFRSA-N 1 0 434.624 5.315 40 0 IKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000022073748 518213458 /nfs/dbraw/zinc/21/34/58/518213458.db2.gz FMLPPKKZBAQMBO-UHFFFAOYSA-N 1 0 426.398 5.942 40 0 IKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc2ccc(Cl)cc2nc1-c1ccc(Cl)cc1 ZINC000016980121 520496449 /nfs/dbraw/zinc/49/64/49/520496449.db2.gz PREZAHYIZDKGJR-DEOSSOPVSA-N 1 0 445.434 7.144 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCc1ccccc1 ZINC000022076301 520709851 /nfs/dbraw/zinc/70/98/51/520709851.db2.gz PKJJGBPRSLGJQA-UHFFFAOYSA-N 1 0 446.429 6.629 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022073659 520709887 /nfs/dbraw/zinc/70/98/87/520709887.db2.gz IOZRATKYPKFLTB-UHFFFAOYSA-N 1 0 442.814 7.047 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022076299 520710230 /nfs/dbraw/zinc/71/02/30/520710230.db2.gz CNKOIHCGOMOTNT-UHFFFAOYSA-N 1 0 436.423 7.174 40 0 IKABRO CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688570 520711268 /nfs/dbraw/zinc/71/12/68/520711268.db2.gz NYWVYVQUNBWGSG-UHFFFAOYSA-N 1 0 431.791 5.324 40 0 IKABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022074195 520729892 /nfs/dbraw/zinc/72/98/92/520729892.db2.gz RUBVUAIMJXUPEH-QGZVFWFLSA-N 1 0 430.375 6.822 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)CC1 ZINC000020492005 521025834 /nfs/dbraw/zinc/02/58/34/521025834.db2.gz LCUDLXYGQFKDHJ-UHFFFAOYSA-N 1 0 441.575 5.101 40 0 IKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(F)cc1Cl ZINC000016214735 522441186 /nfs/dbraw/zinc/44/11/86/522441186.db2.gz POIXTJXQADVEOY-UHFFFAOYSA-N 1 0 429.963 5.981 40 0 IKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1c(Cl)cccc1Cl ZINC000016196250 522442028 /nfs/dbraw/zinc/44/20/28/522442028.db2.gz ZJCCMKOEXOWEFZ-UHFFFAOYSA-N 1 0 446.418 6.639 40 0 IKABRO COc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCc1ccccc1 ZINC000022076289 522443938 /nfs/dbraw/zinc/44/39/38/522443938.db2.gz UVLZQGUATJVRQP-UHFFFAOYSA-N 1 0 432.402 6.239 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000022073629 522468135 /nfs/dbraw/zinc/46/81/35/522468135.db2.gz CKRHSNFRLHYKOJ-UHFFFAOYSA-N 1 0 430.317 5.466 40 0 IKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)nc1 ZINC000016576185 522471549 /nfs/dbraw/zinc/47/15/49/522471549.db2.gz PIBYFMXADJGRML-VOTNDGQHSA-N 1 0 441.015 6.017 40 0 IKABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)no2)cc1OC ZINC000012185663 523115292 /nfs/dbraw/zinc/11/52/92/523115292.db2.gz AWESESYWKXSEJF-QHCPKHFHSA-N 1 0 449.551 5.435 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)C1 ZINC000020488042 524091879 /nfs/dbraw/zinc/09/18/79/524091879.db2.gz TVEDREBYEGQEJI-KRWDZBQOSA-N 1 0 435.008 5.374 40 0 IKABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000035310884 524457910 /nfs/dbraw/zinc/45/79/10/524457910.db2.gz IEPHGEUEKDHBEY-YQQQUEKLSA-N 1 0 447.501 5.421 40 0 IKABRO Cc1ccc(C[NH2+]Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000022076696 524583617 /nfs/dbraw/zinc/58/36/17/524583617.db2.gz WXFSBNMAOGOPSW-UHFFFAOYSA-N 1 0 436.382 7.324 40 0 IKABRO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000225824313 524723723 /nfs/dbraw/zinc/72/37/23/524723723.db2.gz YCXGDJMPWKZXRQ-JOCHJYFZSA-N 1 0 442.603 5.641 40 0 IKABRO C[C@H]([NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000016576115 525429228 /nfs/dbraw/zinc/42/92/28/525429228.db2.gz BIGKELGMKWTPQK-PWHYTNLZSA-N 1 0 443.606 7.252 40 0 IKABRO COc1ccc2c(c1)N[C@]1(COC3(C1)CC[NH+](Cc1ccc(Cl)cc1)CC3)c1cccn1-2 ZINC000012086183 525553592 /nfs/dbraw/zinc/55/35/92/525553592.db2.gz JVTBQWAGANESSB-AREMUKBSSA-N 1 0 449.982 5.215 40 0 IKABRO Cc1cc(Br)c2c(c1)C(=O)[C@@](C[NH+]1CCCCC1)(Sc1ccccc1)CO2 ZINC000016284095 526152301 /nfs/dbraw/zinc/15/23/01/526152301.db2.gz DXBFZQAEGZSPTN-QFIPXVFZSA-N 1 0 446.410 5.350 40 0 IKABRO c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425508 526391993 /nfs/dbraw/zinc/39/19/93/526391993.db2.gz OUNARHOHWXBBJP-QHCPKHFHSA-N 1 0 443.551 5.662 40 0 biogenic,in-vitro IKABRO Fc1ccccc1CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000016449519 526408231 /nfs/dbraw/zinc/40/82/31/526408231.db2.gz ZLNLXWXQVIILHU-UHFFFAOYSA-N 1 0 448.763 6.153 40 0 IKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@@H]2CCCO2)c(Cl)c1 ZINC000016384988 526950741 /nfs/dbraw/zinc/95/07/41/526950741.db2.gz LWFLRASSQRNJQX-KRWDZBQOSA-N 1 0 445.184 5.604 40 0 IKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073716 526950946 /nfs/dbraw/zinc/95/09/46/526950946.db2.gz UMZLQQUTUHRWMA-UHFFFAOYSA-N 1 0 432.007 6.987 40 0 IKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCN2CCOCC2)c(Cl)c1 ZINC000022074116 526951453 /nfs/dbraw/zinc/95/14/53/526951453.db2.gz LHMLZMBXHFNLRC-UHFFFAOYSA-N 1 0 443.802 5.038 40 0 IKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000016525865 526951620 /nfs/dbraw/zinc/95/16/20/526951620.db2.gz VWSLCGAVMZJFRN-UHFFFAOYSA-N 1 0 428.403 7.538 40 0 IKABRO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503194 527447347 /nfs/dbraw/zinc/44/73/47/527447347.db2.gz JSGCFBMRZISMAM-AZUAARDMSA-N 1 0 430.548 5.488 40 0 biogenic,in-vitro IKABRO Cc1cc(NCC[NH+](C(C)C)C(C)C)nc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000001555867 555702788 /nfs/dbraw/zinc/70/27/88/555702788.db2.gz LFKOKEPNPNOGQB-UHFFFAOYSA-N 1 0 436.391 5.242 40 0 IKABRO CCCC(CCC)[NH2+]C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000001568030 555703455 /nfs/dbraw/zinc/70/34/55/555703455.db2.gz WFIGIHLIIHVMGS-IBGZPJMESA-N 1 0 448.451 6.378 40 0 IKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12 ZINC000001591937 555704932 /nfs/dbraw/zinc/70/49/32/555704932.db2.gz CQQAUKSQKSIDAD-VWLOTQADSA-N 1 0 425.016 6.799 40 0 IKABRO C[NH+](C)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000001621257 555706404 /nfs/dbraw/zinc/70/64/04/555706404.db2.gz VXCVWSOSZUBRFK-SFHVURJKSA-N 1 0 430.162 6.110 40 0 IKABRO CC[NH+](CC)CCOc1ccc(-c2c3ccccc3oc(=O)c2-c2ccc(OC)cc2)cc1 ZINC000001680079 555709247 /nfs/dbraw/zinc/70/92/47/555709247.db2.gz FQUUJAHFDUTPAL-UHFFFAOYSA-N 1 0 443.543 5.856 40 0 IKABRO Clc1sc2ccccc2[n+]1Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001760545 555712673 /nfs/dbraw/zinc/71/26/73/555712673.db2.gz KKWJKSUNYSTFDE-UHFFFAOYSA-N 1 0 432.994 7.158 40 0 IKABRO COc1ccc([C@H](C[N@H+](C)C(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000001758872 555712812 /nfs/dbraw/zinc/71/28/12/555712812.db2.gz VNXGWXHCHMZQTK-SANMLTNESA-N 1 0 447.575 5.460 40 0 IKABRO [NH3+][C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703739 555753076 /nfs/dbraw/zinc/75/30/76/555753076.db2.gz XKHXPTSUVPZYDW-IYARVYRRSA-N 1 0 425.939 5.230 40 0 IKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004366744 555990448 /nfs/dbraw/zinc/99/04/48/555990448.db2.gz HESVKTOVSJMRKM-LJAQVGFWSA-N 1 0 432.652 7.398 40 0 IKABRO CC[NH+](CC)CCOC(=O)C(OCCCc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004430118 555994981 /nfs/dbraw/zinc/99/49/81/555994981.db2.gz QVHKRJIZHJRDAW-UHFFFAOYSA-N 1 0 445.603 5.465 40 0 IKABRO CCCC[NH+](CCCC)Cc1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004522651 555999373 /nfs/dbraw/zinc/99/93/73/555999373.db2.gz KNPOFJDSJYNYMD-MUUNZHRXSA-N 1 0 428.620 7.125 40 0 IKABRO CC1(C)[C@H]([NH+]2CCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12 ZINC000005179701 556035481 /nfs/dbraw/zinc/03/54/81/556035481.db2.gz PGLYNCLKWXJSBP-AREMUKBSSA-N 1 0 440.612 6.163 40 0 IKABRO Cc1cccc(NC(=O)[C@H]2Cc3ccccc3N(CCC[NH+](C)C)c3ccccc32)c1C ZINC000005337820 556046389 /nfs/dbraw/zinc/04/63/89/556046389.db2.gz ZOVPLOJFYGTIOU-DEOSSOPVSA-N 1 0 427.592 5.672 40 0 IKABRO C[N@H+](Cc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000005518877 556057797 /nfs/dbraw/zinc/05/77/97/556057797.db2.gz ZUCWJCZDTZGBHU-PQHLKRTFSA-N 1 0 433.551 6.168 40 0 IKABRO C[C@@H]1[C@]2(c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@@H](C(=O)c3ccccc3)[C@]12c1ccccc1 ZINC000005706566 556063323 /nfs/dbraw/zinc/06/33/23/556063323.db2.gz JNDUYIVFABWMIF-ZJKAFWHBSA-N 1 0 429.563 6.108 40 0 IKABRO CCCC[NH+](CCCC)Cc1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005837850 556067249 /nfs/dbraw/zinc/06/72/49/556067249.db2.gz KNPOFJDSJYNYMD-NDEPHWFRSA-N 1 0 428.620 7.125 40 0 IKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(-c2ccc(OC)cc2)nc2cc(Cl)ccc21 ZINC000006382045 556086304 /nfs/dbraw/zinc/08/63/04/556086304.db2.gz HFGYZBLTBPQNLZ-QGZVFWFLSA-N 1 0 426.992 5.881 40 0 IKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1 ZINC000008254057 556154494 /nfs/dbraw/zinc/15/44/94/556154494.db2.gz BLHGSPFOXGFAAP-UHFFFAOYSA-N 1 0 426.000 6.376 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 ZINC000008254073 556154596 /nfs/dbraw/zinc/15/45/96/556154596.db2.gz CMWMCGMQCUVVQN-UHFFFAOYSA-N 1 0 425.956 5.659 40 0 IKABRO C[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013763895 556301835 /nfs/dbraw/zinc/30/18/35/556301835.db2.gz LBMQWGLSKLHDSA-XTPLGNKUSA-N 1 0 445.606 7.163 40 0 IKABRO COc1ccccc1-c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)cc1 ZINC000012089093 556401819 /nfs/dbraw/zinc/40/18/19/556401819.db2.gz IFKPXCPICQIXMF-XUEDKKMFSA-N 1 0 428.576 5.185 40 0 IKABRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OCC ZINC000039760125 556436410 /nfs/dbraw/zinc/43/64/10/556436410.db2.gz MYFBYCIZSKMDMU-GOSISDBHSA-N 1 0 445.003 5.227 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)ccc21 ZINC000039761795 556436597 /nfs/dbraw/zinc/43/65/97/556436597.db2.gz CBTAIMKEQDWEIJ-UHFFFAOYSA-N 1 0 429.539 5.804 40 0 IKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)c1 ZINC000039766263 556436967 /nfs/dbraw/zinc/43/69/67/556436967.db2.gz WBAWMHJEWLHYAG-UHFFFAOYSA-N 1 0 434.967 6.291 40 0 IKABRO CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039773355 556437757 /nfs/dbraw/zinc/43/77/57/556437757.db2.gz SEHVLWIUBJEMHD-UHFFFAOYSA-N 1 0 429.004 5.088 40 0 IKABRO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039748339 556438377 /nfs/dbraw/zinc/43/83/77/556438377.db2.gz CUMNXNKDIISGGD-UHFFFAOYSA-N 1 0 432.995 5.781 40 0 IKABRO O=C(NCCSCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039757297 556440029 /nfs/dbraw/zinc/44/00/29/556440029.db2.gz ZDZGTGXLOXBQRZ-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039758290 556441680 /nfs/dbraw/zinc/44/16/80/556441680.db2.gz HTTDTTSUVCSHHL-UHFFFAOYSA-N 1 0 428.960 5.148 40 0 IKABRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OCC ZINC000039758701 556441786 /nfs/dbraw/zinc/44/17/86/556441786.db2.gz YBERMLWWFRGPNX-GOSISDBHSA-N 1 0 445.003 5.227 40 0 IKABRO Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408880692 556470190 /nfs/dbraw/zinc/47/01/90/556470190.db2.gz IBRBSMPQRNIODQ-UHFFFAOYSA-N 1 0 433.983 5.219 40 0 IKABRO CCOC(=O)COc1c(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OCC ZINC000036611836 556504883 /nfs/dbraw/zinc/50/48/83/556504883.db2.gz MRDSAGBPWACLSJ-UHFFFAOYSA-N 1 0 444.410 5.094 40 0 IKABRO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000030854481 556509657 /nfs/dbraw/zinc/50/96/57/556509657.db2.gz LIPRDQINGCBFRL-MUUNZHRXSA-N 1 0 442.603 5.771 40 0 IKABRO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030937889 556515514 /nfs/dbraw/zinc/51/55/14/556515514.db2.gz LBGAWUXGEQAOII-FQEVSTJZSA-N 1 0 437.008 6.342 40 0 IKABRO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000030943337 556516614 /nfs/dbraw/zinc/51/66/14/556516614.db2.gz OMJDKHOZDMXBDH-FQEVSTJZSA-N 1 0 428.960 5.148 40 0 IKABRO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030945175 556516822 /nfs/dbraw/zinc/51/68/22/556516822.db2.gz HZKULQSEDIEATH-UHFFFAOYSA-N 1 0 445.529 5.044 40 0 IKABRO O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030947092 556517201 /nfs/dbraw/zinc/51/72/01/556517201.db2.gz SNAPEWRCURDKFV-GYPCIFOGSA-N 1 0 446.610 6.144 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1 ZINC000030947143 556517287 /nfs/dbraw/zinc/51/72/87/556517287.db2.gz LIABVCPXUXOGED-QOHRDKRTSA-N 1 0 442.647 6.639 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1 ZINC000030947146 556517669 /nfs/dbraw/zinc/51/76/69/556517669.db2.gz LIABVCPXUXOGED-BPOJBYEUSA-N 1 0 442.647 6.639 40 0 IKABRO Cc1cc(C)c2nc3c(c([C@@H](O)[C@@H]4CCCC[NH2+]4)c2c1)CC/C3=C\c1ccc(Cl)cc1 ZINC000031761056 556526194 /nfs/dbraw/zinc/52/61/94/556526194.db2.gz RBWRXGUYQAVWHA-KCGQGPFKSA-N 1 0 432.995 6.167 40 0 in-vitro IKABRO CCOc1ccccc1CCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013669866 556550750 /nfs/dbraw/zinc/55/07/50/556550750.db2.gz VDAVDTXKXAZTTQ-UHFFFAOYSA-N 1 0 428.576 5.006 40 0 IKABRO CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]([NH+](C)C)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](C)OC(C)=O ZINC000033903729 556569149 /nfs/dbraw/zinc/56/91/49/556569149.db2.gz AYSBIMSATXNCSF-HWDCVNTKSA-N 1 0 447.660 5.070 40 0 in-man IKABRO COc1ccccc1N1CC[NH+](CC[C@@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1 ZINC000033965293 556570506 /nfs/dbraw/zinc/57/05/06/556570506.db2.gz GXVHRYDXBSTHCF-MUUNZHRXSA-N 1 0 434.624 5.315 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195536 556589843 /nfs/dbraw/zinc/58/98/43/556589843.db2.gz ADKBSKBYOAXZHJ-UHFFFAOYSA-N 1 0 448.307 5.605 40 0 IKABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195479 556589851 /nfs/dbraw/zinc/58/98/51/556589851.db2.gz NIFWAAXCOTWBHJ-OAQYLSRUSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195531 556589900 /nfs/dbraw/zinc/58/99/00/556589900.db2.gz LYBMDGFGOWQLST-UHFFFAOYSA-N 1 0 444.344 5.508 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000016195720 556590092 /nfs/dbraw/zinc/59/00/92/556590092.db2.gz BKUPGMHELJAXRW-UHFFFAOYSA-N 1 0 430.317 5.466 40 0 IKABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195629 556590124 /nfs/dbraw/zinc/59/01/24/556590124.db2.gz DKGFHAAVKJJVKH-INIZCTEOSA-N 1 0 430.759 5.503 40 0 IKABRO COc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195657 556590130 /nfs/dbraw/zinc/59/01/30/556590130.db2.gz NPKFWDNDSJFSPY-UHFFFAOYSA-N 1 0 437.754 5.919 40 0 IKABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCc1ccccc1Cl ZINC000016195792 556590155 /nfs/dbraw/zinc/59/01/55/556590155.db2.gz XKOAFEKOILQOBY-UHFFFAOYSA-N 1 0 447.760 5.375 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000016195832 556590411 /nfs/dbraw/zinc/59/04/11/556590411.db2.gz IEPQWABEJLOCGT-UHFFFAOYSA-N 1 0 436.766 6.524 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196325 556590648 /nfs/dbraw/zinc/59/06/48/556590648.db2.gz HSVXOZWQXBIEBO-UHFFFAOYSA-N 1 0 436.766 6.524 40 0 IKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214711 556591362 /nfs/dbraw/zinc/59/13/62/556591362.db2.gz FOYIDJQKPCMBHX-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214694 556591368 /nfs/dbraw/zinc/59/13/68/556591368.db2.gz YZCXKRJLQDZCNK-OAQYLSRUSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214726 556591412 /nfs/dbraw/zinc/59/14/12/556591412.db2.gz BPMSUDHQBYUCKV-UHFFFAOYSA-N 1 0 446.330 5.600 40 0 IKABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214698 556591427 /nfs/dbraw/zinc/59/14/27/556591427.db2.gz YZCXKRJLQDZCNK-NRFANRHFSA-N 1 0 432.347 5.404 40 0 IKABRO COc1ccc(CC[NH2+]Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000016216564 556591935 /nfs/dbraw/zinc/59/19/35/556591935.db2.gz XLZPWEGQJOOLAH-UHFFFAOYSA-N 1 0 431.963 6.413 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 ZINC000016216631 556591949 /nfs/dbraw/zinc/59/19/49/556591949.db2.gz WGGNQPGZYAZLGG-UHFFFAOYSA-N 1 0 429.919 5.408 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC000016227432 556593154 /nfs/dbraw/zinc/59/31/54/556593154.db2.gz YHXRJFDGAJTZSL-UHFFFAOYSA-N 1 0 441.955 5.277 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC ZINC000016227438 556593157 /nfs/dbraw/zinc/59/31/57/556593157.db2.gz NQBFFWHIRBXZKX-UHFFFAOYSA-N 1 0 441.955 5.277 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1OC ZINC000016228217 556593505 /nfs/dbraw/zinc/59/35/05/556593505.db2.gz PEYLMXJHIQUIEB-UHFFFAOYSA-N 1 0 441.955 5.277 40 0 IKABRO Fc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401397 556605746 /nfs/dbraw/zinc/60/57/46/556605746.db2.gz ICWKRUDMTOOYGI-UHFFFAOYSA-N 1 0 448.763 6.153 40 0 IKABRO Fc1ccccc1CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000016449530 556609233 /nfs/dbraw/zinc/60/92/33/556609233.db2.gz PAAWASLIGUGEJZ-UHFFFAOYSA-N 1 0 448.763 6.153 40 0 IKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000016576176 556616202 /nfs/dbraw/zinc/61/62/02/556616202.db2.gz ZMPUABWMIXOKEL-BYMHFINISA-N 1 0 440.027 6.622 40 0 IKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1cccc(Cl)c1 ZINC000016605991 556617068 /nfs/dbraw/zinc/61/70/68/556617068.db2.gz PGZBHKHDESSYCE-AEXOJCPESA-N 1 0 440.027 6.766 40 0 IKABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833085 556622045 /nfs/dbraw/zinc/62/20/45/556622045.db2.gz NZYWGAJSJHMIQY-VWLOTQADSA-N 1 0 432.995 5.781 40 0 IKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038851453 556625025 /nfs/dbraw/zinc/62/50/25/556625025.db2.gz XLRUHJRCYFGDHK-JOCHJYFZSA-N 1 0 434.580 5.969 40 0 IKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCC ZINC000016688366 556626308 /nfs/dbraw/zinc/62/63/08/556626308.db2.gz FMYXRNJLLQAGTH-SVIALIIXSA-N 1 0 436.434 6.085 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688521 556626312 /nfs/dbraw/zinc/62/63/12/556626312.db2.gz BXTLIFHEMIDFMG-UHFFFAOYSA-N 1 0 431.910 5.928 40 0 IKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038860828 556626454 /nfs/dbraw/zinc/62/64/54/556626454.db2.gz UMQCYFCFIGXDFF-IBGZPJMESA-N 1 0 438.930 6.122 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 ZINC000016688637 556626688 /nfs/dbraw/zinc/62/66/88/556626688.db2.gz VPPWUKIGQVYOPQ-UHFFFAOYSA-N 1 0 425.912 5.336 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000016688617 556626717 /nfs/dbraw/zinc/62/67/17/556626717.db2.gz USDHDILYLBDTLK-UHFFFAOYSA-N 1 0 440.381 5.759 40 0 IKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1 ZINC000016688634 556626735 /nfs/dbraw/zinc/62/67/35/556626735.db2.gz ZSOMDCRUTMNYGR-UHFFFAOYSA-N 1 0 434.967 6.131 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 ZINC000016689081 556626961 /nfs/dbraw/zinc/62/69/61/556626961.db2.gz VXIZVMCIQAPMCW-UHFFFAOYSA-N 1 0 425.912 5.336 40 0 IKABRO CCCOc1ccccc1CCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044851645 556670776 /nfs/dbraw/zinc/67/07/76/556670776.db2.gz KBJRFVHQDSILHD-UHFFFAOYSA-N 1 0 442.603 5.396 40 0 IKABRO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855176 556671289 /nfs/dbraw/zinc/67/12/89/556671289.db2.gz QBBDWPFHEWIHBM-KNQAVFIVSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccccc3Cl)CC1)CC(C)(C)O2 ZINC000044855227 556671382 /nfs/dbraw/zinc/67/13/82/556671382.db2.gz HYCRSJRIDLIWPS-JOCHJYFZSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044855381 556671554 /nfs/dbraw/zinc/67/15/54/556671554.db2.gz OMNAIQQFOBJBFM-QFIPXVFZSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044855430 556671562 /nfs/dbraw/zinc/67/15/62/556671562.db2.gz HPQIPCUTZLBFIS-AREMUKBSSA-N 1 0 440.587 5.586 40 0 IKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856874 556672661 /nfs/dbraw/zinc/67/26/61/556672661.db2.gz QWCIEWWEGQXBRL-RUZDIDTESA-N 1 0 444.575 5.143 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000044873283 556673418 /nfs/dbraw/zinc/67/34/18/556673418.db2.gz ZFBMGJSNCIHVAK-UHFFFAOYSA-N 1 0 430.617 5.895 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000044875015 556673963 /nfs/dbraw/zinc/67/39/63/556673963.db2.gz RNKYSOVSCWOFKY-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO CC1(C)C[C@@H](NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c2ccccc2O1 ZINC000044918631 556681995 /nfs/dbraw/zinc/68/19/95/556681995.db2.gz FCJIWEHBZVHTEF-RUZDIDTESA-N 1 0 426.560 5.277 40 0 IKABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1Cl ZINC000044939643 556683214 /nfs/dbraw/zinc/68/32/14/556683214.db2.gz DPMFVVSXHLAYLK-UHFFFAOYSA-N 1 0 435.351 5.021 40 0 IKABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000044939645 556683256 /nfs/dbraw/zinc/68/32/56/556683256.db2.gz XALQIUWPVXUSSG-UHFFFAOYSA-N 1 0 435.351 5.021 40 0 IKABRO CC(C)c1ccc2oc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)nc2c1 ZINC000226308148 556684276 /nfs/dbraw/zinc/68/42/76/556684276.db2.gz JLHDXMOZWSCMSR-UHFFFAOYSA-N 1 0 426.309 5.856 40 0 IKABRO COc1ccccc1-c1ccc(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1 ZINC000019021114 556693614 /nfs/dbraw/zinc/69/36/14/556693614.db2.gz PAESZGBQZJRQNA-UHFFFAOYSA-N 1 0 432.539 5.129 40 0 IKABRO Cc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 ZINC000019219727 556714102 /nfs/dbraw/zinc/71/41/02/556714102.db2.gz ZWROJRGVUNUVNA-UIOOFZCWSA-N 1 0 442.559 5.014 40 0 IKABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019236815 556721455 /nfs/dbraw/zinc/72/14/55/556721455.db2.gz ADGJBNCZRZMHMZ-CPJSRVTESA-N 1 0 435.518 5.052 40 0 IKABRO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293885 556733041 /nfs/dbraw/zinc/73/30/41/556733041.db2.gz CHYCHMQACNLYKK-HJOGWXRNSA-N 1 0 438.543 5.157 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000019294053 556733537 /nfs/dbraw/zinc/73/35/37/556733537.db2.gz GGTHTNFTQHJAJC-HSZRJFAPSA-N 1 0 433.531 5.127 40 0 IKABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000019294083 556733795 /nfs/dbraw/zinc/73/37/95/556733795.db2.gz XTZUSYHIEFYTNG-OAQYLSRUSA-N 1 0 440.526 5.196 40 0 IKABRO O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1C[NH+](C1CCCCC1)C1CCCCC1 ZINC000055121113 556735238 /nfs/dbraw/zinc/73/52/38/556735238.db2.gz NBGJQPCTLZZCMF-QNGOZBTKSA-N 1 0 433.017 6.301 40 0 IKABRO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCC[N@@H+]3C3CCSCC3)nn21 ZINC000019343875 556741761 /nfs/dbraw/zinc/74/17/61/556741761.db2.gz XJZNJZYECPMVLA-LZLYRXPVSA-N 1 0 442.576 5.637 40 0 IKABRO Fc1ccc([C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1 ZINC000019348728 556744158 /nfs/dbraw/zinc/74/41/58/556744158.db2.gz ALZCNOPGRICSHV-JTHBVZDNSA-N 1 0 430.445 5.424 40 0 IKABRO c1ccc2c(c1)c(CNCC[NH2+]Cc1cc3c(c4ccccc14)CCCC3)cc1c2CCCC1 ZINC000019364939 556745969 /nfs/dbraw/zinc/74/59/69/556745969.db2.gz FHKUOAVORKIRNZ-UHFFFAOYSA-N 1 0 448.654 6.630 40 0 IKABRO CC1(C)[C@@H]2CC[C@@]1(C)C[N@H+](C[C@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 ZINC000001225587 556751344 /nfs/dbraw/zinc/75/13/44/556751344.db2.gz IVFYNVUWEOJAST-GSQWSPMESA-N 1 0 445.434 6.220 40 0 IKABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400662 556753029 /nfs/dbraw/zinc/75/30/29/556753029.db2.gz IJYQIGXWGGCOGZ-YIXXDRMTSA-N 1 0 447.623 5.273 40 0 IKABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400610 556753202 /nfs/dbraw/zinc/75/32/02/556753202.db2.gz FWYNNGDBIOFPQV-OFVILXPXSA-N 1 0 442.588 5.075 40 0 IKABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019400554 556753214 /nfs/dbraw/zinc/75/32/14/556753214.db2.gz OPUAYHSYFGHNBL-NBGIEHNGSA-N 1 0 427.539 5.010 40 0 IKABRO CC(C)Oc1ccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)cc1 ZINC000019450606 556761421 /nfs/dbraw/zinc/76/14/21/556761421.db2.gz JGLPXZVMZOABEA-OAQYLSRUSA-N 1 0 429.630 5.046 40 0 IKABRO CC(C)n1cc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c2ccccc21 ZINC000019454805 556764847 /nfs/dbraw/zinc/76/48/47/556764847.db2.gz SOPKNZRLDLWPMN-SANMLTNESA-N 1 0 446.639 5.733 40 0 IKABRO CCc1ccccc1Nc1cc(-c2cccnc2)nc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000019523082 556780202 /nfs/dbraw/zinc/78/02/02/556780202.db2.gz HYWYZZIQPJJQGS-UHFFFAOYSA-N 1 0 443.595 5.203 40 0 IKABRO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2cc(OC)cc(OC)c2)n1 ZINC000019525603 556783114 /nfs/dbraw/zinc/78/31/14/556783114.db2.gz VCITUVJRHXPBAT-XMMPIXPASA-N 1 0 432.568 5.236 40 0 IKABRO CCOCc1cc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)ccc1OC ZINC000019531117 556791608 /nfs/dbraw/zinc/79/16/08/556791608.db2.gz ZYGULOARAOQQOT-UHFFFAOYSA-N 1 0 445.510 5.394 40 0 IKABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)ccc1OC ZINC000019531976 556792305 /nfs/dbraw/zinc/79/23/05/556792305.db2.gz OJHIHXPKRWCTPN-INIZCTEOSA-N 1 0 431.483 5.256 40 0 IKABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)ccc1OC ZINC000019531974 556792321 /nfs/dbraw/zinc/79/23/21/556792321.db2.gz OJHIHXPKRWCTPN-MRXNPFEDSA-N 1 0 431.483 5.256 40 0 IKABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1OC ZINC000019533790 556793517 /nfs/dbraw/zinc/79/35/17/556793517.db2.gz RAIZWOPXYPYBBN-MRXNPFEDSA-N 1 0 431.483 5.256 40 0 IKABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019533787 556793527 /nfs/dbraw/zinc/79/35/27/556793527.db2.gz RGLJYFDMAVPPEH-MRXNPFEDSA-N 1 0 449.473 5.337 40 0 IKABRO O=c1c(-c2ccc(OC(F)(F)F)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000005415033 556798738 /nfs/dbraw/zinc/79/87/38/556798738.db2.gz VUXCVOIIBFUZEK-DOTOQJQBSA-N 1 0 446.494 5.095 40 0 biogenic,in-vitro IKABRO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019565455 556806151 /nfs/dbraw/zinc/80/61/51/556806151.db2.gz IKJSESGMBKPEPQ-XMMPIXPASA-N 1 0 436.575 5.126 40 0 IKABRO Cc1c(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)[nH]c2ccc(F)cc12 ZINC000019565477 556806218 /nfs/dbraw/zinc/80/62/18/556806218.db2.gz PPXBKEPZNKWUMH-NRFANRHFSA-N 1 0 442.604 5.188 40 0 IKABRO Cc1c(C[NH+]2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000019565891 556806450 /nfs/dbraw/zinc/80/64/50/556806450.db2.gz GLSOAVNGTFJBQD-RUZDIDTESA-N 1 0 444.604 5.316 40 0 IKABRO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C ZINC000019567345 556807551 /nfs/dbraw/zinc/80/75/51/556807551.db2.gz WILOFJCQXZPGJY-XMMPIXPASA-N 1 0 445.611 5.266 40 0 IKABRO Cc1nn(Cc2ccccc2)c(C)c1CN(Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019578325 556815677 /nfs/dbraw/zinc/81/56/77/556815677.db2.gz ZJBHBOSPOMQMCB-UHFFFAOYSA-N 1 0 445.655 5.255 40 0 IKABRO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 ZINC000019581656 556819650 /nfs/dbraw/zinc/81/96/50/556819650.db2.gz SNFHUXMLVXTTSW-DQEYMECFSA-N 1 0 442.559 5.014 40 0 IKABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000063720235 556821510 /nfs/dbraw/zinc/82/15/10/556821510.db2.gz RSUMDFBTCAAZNY-RFZNLCKASA-N 1 0 443.031 5.085 40 0 IKABRO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)N(c1ccccc1)c1ccccc1 ZINC000004398458 556822481 /nfs/dbraw/zinc/82/24/81/556822481.db2.gz JYAXAJLENRUMRY-UHFFFAOYSA-N 1 0 444.966 5.761 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1ccccc1C)c1nc(-c2ccc(OC)cc2)cs1 ZINC000006511308 556838226 /nfs/dbraw/zinc/83/82/26/556838226.db2.gz CPIXNXHUKRHVDE-UHFFFAOYSA-N 1 0 437.609 5.506 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 ZINC000006511271 556838240 /nfs/dbraw/zinc/83/82/40/556838240.db2.gz BPSLXCYFPKLKTL-UHFFFAOYSA-N 1 0 437.609 5.262 40 0 IKABRO O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000066129434 556840156 /nfs/dbraw/zinc/84/01/56/556840156.db2.gz LAMPPZAYRXOJOM-UHFFFAOYSA-N 1 0 426.438 5.396 40 0 IKABRO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000006878634 556840181 /nfs/dbraw/zinc/84/01/81/556840181.db2.gz QKCBTTXANGWIFV-UHFFFAOYSA-N 1 0 429.973 5.071 40 0 IKABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3ccccc3Cl)n2)cc1 ZINC000006878642 556840199 /nfs/dbraw/zinc/84/01/99/556840199.db2.gz CTFGZCLXDDSZSP-UHFFFAOYSA-N 1 0 429.973 5.071 40 0 IKABRO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000019687424 556842306 /nfs/dbraw/zinc/84/23/06/556842306.db2.gz KRDDMDGBAAWLPX-XMMPIXPASA-N 1 0 427.527 5.234 40 0 IKABRO CC[NH+](CC)CCCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000008677471 556844304 /nfs/dbraw/zinc/84/43/04/556844304.db2.gz VBLQQVZWDKIYLH-UHFFFAOYSA-N 1 0 440.632 5.133 40 0 IKABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)cnn1C ZINC000019690877 556846901 /nfs/dbraw/zinc/84/69/01/556846901.db2.gz JPVDFYCOJYINLB-HSZRJFAPSA-N 1 0 428.502 5.379 40 0 IKABRO Cc1c(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)cnn1C ZINC000019690876 556846962 /nfs/dbraw/zinc/84/69/62/556846962.db2.gz JPVDFYCOJYINLB-QHCPKHFHSA-N 1 0 428.502 5.379 40 0 IKABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695968 556852942 /nfs/dbraw/zinc/85/29/42/556852942.db2.gz NKPRFVSEXVMPFT-DEOSSOPVSA-N 1 0 432.612 5.167 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2ccncc2)CC1 ZINC000019700252 556859930 /nfs/dbraw/zinc/85/99/30/556859930.db2.gz GDKQECRNJNALCJ-UHFFFAOYSA-N 1 0 433.621 5.161 40 0 IKABRO Cc1nn(-c2ccccn2)c2nc([C@@H]3CCC[N@H+]3Cc3cn(C)c4ccc(F)cc34)ccc12 ZINC000019742436 556886535 /nfs/dbraw/zinc/88/65/35/556886535.db2.gz BQTGMLDEOKJJMJ-DEOSSOPVSA-N 1 0 440.526 5.092 40 0 IKABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743189 556887610 /nfs/dbraw/zinc/88/76/10/556887610.db2.gz FEPQCMIMYDZVBY-HSZRJFAPSA-N 1 0 436.575 5.263 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000072330428 556905459 /nfs/dbraw/zinc/90/54/59/556905459.db2.gz SJVXRBDLXUORKH-DFBJGRDBSA-N 1 0 444.604 5.018 40 0 IKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330456 556905897 /nfs/dbraw/zinc/90/58/97/556905897.db2.gz YPMYTOKLIJGYTK-NVQXNPDNSA-N 1 0 435.612 5.048 40 0 IKABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000072330550 556906443 /nfs/dbraw/zinc/90/64/43/556906443.db2.gz HIXPCWQFYIIFFW-LSYYVWMOSA-N 1 0 427.592 5.092 40 0 IKABRO COc1ccc2c(c1)NC1(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC1)c1cccn1-2 ZINC000072341666 556914163 /nfs/dbraw/zinc/91/41/63/556914163.db2.gz BZPMCDFWKIZJIP-UHFFFAOYSA-N 1 0 433.527 5.005 40 0 IKABRO CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000072344944 556916143 /nfs/dbraw/zinc/91/61/43/556916143.db2.gz BDUIUKBSWOVANS-NRFANRHFSA-N 1 0 445.007 5.202 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000072352489 556924533 /nfs/dbraw/zinc/92/45/33/556924533.db2.gz KIYUKUXXJUPXHF-QGZVFWFLSA-N 1 0 432.593 5.181 40 0 IKABRO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000072352492 556924550 /nfs/dbraw/zinc/92/45/50/556924550.db2.gz YEXSEJQXOFPYMZ-QGZVFWFLSA-N 1 0 426.557 5.001 40 0 IKABRO CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000072352628 556924848 /nfs/dbraw/zinc/92/48/48/556924848.db2.gz UBZDXKCLXKMAAE-FQEVSTJZSA-N 1 0 447.604 5.085 40 0 IKABRO Cc1cccnc1Nc1ccc([C@H]2CCCN2C(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)nc1 ZINC000072353171 556925728 /nfs/dbraw/zinc/92/57/28/556925728.db2.gz IWGSORPFAXNRLZ-JOCHJYFZSA-N 1 0 435.616 5.139 40 0 IKABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358228 556931828 /nfs/dbraw/zinc/93/18/28/556931828.db2.gz IJHJGWNWYKTLTG-JOCHJYFZSA-N 1 0 426.486 5.465 40 0 IKABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1Cc1ccc2cccc(OC)c2n1 ZINC000072370374 556934673 /nfs/dbraw/zinc/93/46/73/556934673.db2.gz JLHIVEAWVNSLLS-LJQANCHMSA-N 1 0 445.588 5.025 40 0 IKABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1cnc(C(C)C)nc1 ZINC000072370687 556935950 /nfs/dbraw/zinc/93/59/50/556935950.db2.gz QYNZADJDQJERNI-LJQANCHMSA-N 1 0 436.625 5.162 40 0 IKABRO COCc1ccc(OC)c(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)[nH+]2)c1 ZINC000072372709 556943806 /nfs/dbraw/zinc/94/38/06/556943806.db2.gz UGJZQSWYIMQOQY-JOCHJYFZSA-N 1 0 438.597 5.391 40 0 IKABRO CCOc1ccc(CN2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)cc1CO ZINC000072372713 556943822 /nfs/dbraw/zinc/94/38/22/556943822.db2.gz MPOAODRKQATISC-QFIPXVFZSA-N 1 0 438.597 5.127 40 0 IKABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cn(CCCO)c4ccccc34)n2)s1 ZINC000072375763 556952922 /nfs/dbraw/zinc/95/29/22/556952922.db2.gz ASJBXZPKGJFAQL-QHCPKHFHSA-N 1 0 447.608 5.264 40 0 IKABRO COc1ccc2c(c1)c(C[N@@H+]1CCC[C@@H]1c1cccc(Nc3ncccn3)n1)cn2C(C)C ZINC000072375777 556952959 /nfs/dbraw/zinc/95/29/59/556952959.db2.gz FQRKMDUUBKUSRD-XMMPIXPASA-N 1 0 442.567 5.497 40 0 IKABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cn(CCCO)c4ccccc34)n2)s1 ZINC000072375764 556952974 /nfs/dbraw/zinc/95/29/74/556952974.db2.gz ASJBXZPKGJFAQL-HSZRJFAPSA-N 1 0 447.608 5.264 40 0 IKABRO CCn1ncc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000072376646 556955499 /nfs/dbraw/zinc/95/54/99/556955499.db2.gz NOUSDTGPGZYFKY-QFIPXVFZSA-N 1 0 439.007 5.115 40 0 IKABRO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2cccc(OC)c2OC)n1 ZINC000072390678 556961241 /nfs/dbraw/zinc/96/12/41/556961241.db2.gz FXGDUJBXQSZRNJ-JOCHJYFZSA-N 1 0 432.568 5.236 40 0 IKABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072391340 556961987 /nfs/dbraw/zinc/96/19/87/556961987.db2.gz GWPUSDSGGLNEKR-HXUWFJFHSA-N 1 0 440.526 5.196 40 0 IKABRO Cc1c(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccccc12 ZINC000072394596 556965909 /nfs/dbraw/zinc/96/59/09/556965909.db2.gz RXBSDQBPZJQWII-NRFANRHFSA-N 1 0 425.598 5.313 40 0 IKABRO CCOc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000072398616 556970228 /nfs/dbraw/zinc/97/02/28/556970228.db2.gz HPMDLLFMLUYPQP-NVQXNPDNSA-N 1 0 449.639 5.085 40 0 IKABRO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000408582975 557045154 /nfs/dbraw/zinc/04/51/54/557045154.db2.gz QEUPXLHINKQBPF-UHFFFAOYSA-N 1 0 448.629 5.342 40 0 IKABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC000118913080 557075361 /nfs/dbraw/zinc/07/53/61/557075361.db2.gz ULILXULMDVDQAM-NKWCGTAYSA-N 1 0 425.657 5.817 40 0 IKABRO COc1ccccc1-c1ccc(C2(CNC(=O)CCC[NH+]3CCCC3)CCCCC2)cc1 ZINC000585169173 557132483 /nfs/dbraw/zinc/13/24/83/557132483.db2.gz UAJQSTZGTWGDDO-UHFFFAOYSA-N 1 0 434.624 5.556 40 0 IKABRO CC(=O)Oc1ccc2ccccc2c1C[N@H+](C)Cc1cc(Cl)cc(C)c1OC(C)=O ZINC000090760123 557136481 /nfs/dbraw/zinc/13/64/81/557136481.db2.gz IQIHMIJDTITJQK-UHFFFAOYSA-N 1 0 425.912 5.284 40 0 IKABRO CCN1c2ccccc2S/C1=C\C=C/C(C)=C\C=C\c1sc2ccccc2[n+]1CC ZINC000006134676 557147022 /nfs/dbraw/zinc/14/70/22/557147022.db2.gz DPZUVOXAZZITDV-UHFFFAOYSA-N 1 0 431.650 7.198 40 0 IKABRO 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 557162287 /nfs/dbraw/zinc/16/22/87/557162287.db2.gz PNEZUKVPMORBBH-CDLYNWKESA-N 1 0 434.580 5.042 40 0 IKABRO CC[NH+](CC)CCCNC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096037905 557165408 /nfs/dbraw/zinc/16/54/08/557165408.db2.gz KIROWLOKLDVXJI-UHFFFAOYSA-N 1 0 434.565 5.080 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)ccc1OCc1cccs1 ZINC000008254742 557168822 /nfs/dbraw/zinc/16/88/22/557168822.db2.gz MUQYICGROXHVON-UHFFFAOYSA-N 1 0 427.566 5.075 40 0 IKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000022076919 557173587 /nfs/dbraw/zinc/17/35/87/557173587.db2.gz LNOXNNOXPWBLGL-MRXNPFEDSA-N 1 0 427.342 5.283 40 0 IKABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 ZINC000008832661 557177754 /nfs/dbraw/zinc/17/77/54/557177754.db2.gz QDMMHKFVFTYYGV-UHFFFAOYSA-N 1 0 444.362 5.648 40 0 IKABRO CC/C=C/C(=O)OC[C@@H](O)[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026897352 557250585 /nfs/dbraw/zinc/25/05/85/557250585.db2.gz NYEZVINCEJVQNO-OTVSBJOASA-N 1 0 443.587 5.170 40 0 IKABRO Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH+]4C[C@H](C)C[C@@H](C)C4)cc23)c1 ZINC000057740325 557257612 /nfs/dbraw/zinc/25/76/12/557257612.db2.gz FJTBGHSWZORENE-WOJBJXKFSA-N 1 0 426.564 5.167 40 0 IKABRO CCOc1cc(C[NH+]2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)ccc1OC ZINC000057774530 557264388 /nfs/dbraw/zinc/26/43/88/557264388.db2.gz RZAUYHQUCDRFFE-UHFFFAOYSA-N 1 0 433.474 5.369 40 0 IKABRO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774855 557264732 /nfs/dbraw/zinc/26/47/32/557264732.db2.gz PTWPLXVMNNTQFN-JTHBVZDNSA-N 1 0 428.020 5.773 40 0 IKABRO CCc1cc(CNC(=O)c2sc3ccccc3c2[C@H]2CC[C@H](C[NH+](C)C)CC2)on1 ZINC000100658935 557268788 /nfs/dbraw/zinc/26/87/88/557268788.db2.gz HIFHMUNLLDVJCJ-CALCHBBNSA-N 1 0 425.598 5.217 40 0 IKABRO CC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219960646 557272226 /nfs/dbraw/zinc/27/22/26/557272226.db2.gz ZFCBTOGKUDXHMQ-UHFFFAOYSA-N 1 0 426.560 5.596 40 0 IKABRO O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219959945 557272304 /nfs/dbraw/zinc/27/23/04/557272304.db2.gz DJPGGRCARHLUHW-UHFFFAOYSA-N 1 0 436.958 6.186 40 0 IKABRO CCCCc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219961017 557272613 /nfs/dbraw/zinc/27/26/13/557272613.db2.gz DCVOYGHOWHOOBT-UHFFFAOYSA-N 1 0 440.631 6.736 40 0 IKABRO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219961600 557272666 /nfs/dbraw/zinc/27/26/66/557272666.db2.gz HMXROPXPADWKGH-XMMPIXPASA-N 1 0 440.631 5.892 40 0 IKABRO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500135 557324041 /nfs/dbraw/zinc/32/40/41/557324041.db2.gz VOVWKJUKKGOZLP-XMMPIXPASA-N 1 0 448.615 5.224 40 0 IKABRO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501159 557324773 /nfs/dbraw/zinc/32/47/73/557324773.db2.gz ZQZXLQCLQKDLIS-DEOSSOPVSA-N 1 0 448.615 5.224 40 0 IKABRO Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]Cc4ccc(F)cc4)cc23)cc1 ZINC000013564695 557341022 /nfs/dbraw/zinc/34/10/22/557341022.db2.gz VCLZOCLBMXFISH-UHFFFAOYSA-N 1 0 438.506 5.118 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215589 557342218 /nfs/dbraw/zinc/34/22/18/557342218.db2.gz KXFUMLGRZSUDOC-XMMPIXPASA-N 1 0 435.612 6.493 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072215851 557342550 /nfs/dbraw/zinc/34/25/50/557342550.db2.gz ULMZNUYWPVPWSI-DEOSSOPVSA-N 1 0 429.564 6.492 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072215888 557342948 /nfs/dbraw/zinc/34/29/48/557342948.db2.gz SCNSJQWOKIFVGL-VWLOTQADSA-N 1 0 443.591 6.882 40 0 IKABRO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113959108 557381949 /nfs/dbraw/zinc/38/19/49/557381949.db2.gz YFDOSTJHTQUVRT-XMMPIXPASA-N 1 0 440.631 6.249 40 0 IKABRO Cn1cc(CCC(=O)NCc2ccc([C@@H]3CCC[N@@H+]3C3CCCCC3)nc2)c2ccccc21 ZINC000072355724 557387482 /nfs/dbraw/zinc/38/74/82/557387482.db2.gz FSLNXRHNMZLQBR-MHZLTWQESA-N 1 0 444.623 5.292 40 0 IKABRO CN(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)(C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118923226 557406321 /nfs/dbraw/zinc/40/63/21/557406321.db2.gz YQHUMJXBHFISTA-FTBIRWDXSA-N 1 0 446.720 5.459 40 0 IKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118929607 557406964 /nfs/dbraw/zinc/40/69/64/557406964.db2.gz XXQASABQMMKQBU-BOAUOWLMSA-N 1 0 448.759 8.557 40 0 IKABRO CC(C)(Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000223008672 557415103 /nfs/dbraw/zinc/41/51/03/557415103.db2.gz FMBMJCFPLYDDIB-UHFFFAOYSA-N 1 0 440.631 5.892 40 0 IKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019359 557416122 /nfs/dbraw/zinc/41/61/22/557416122.db2.gz HQPFIWZAGUNCAC-GDLZYMKVSA-N 1 0 438.615 6.005 40 0 IKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c2ccccc2O1 ZINC000223126069 557435404 /nfs/dbraw/zinc/43/54/04/557435404.db2.gz LUURZCIZGCHNBN-HSZRJFAPSA-N 1 0 441.015 5.751 40 0 IKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c2ccccc2O1 ZINC000223126130 557435472 /nfs/dbraw/zinc/43/54/72/557435472.db2.gz LUURZCIZGCHNBN-QHCPKHFHSA-N 1 0 441.015 5.751 40 0 IKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c2ccccc2O1 ZINC000223219197 557447235 /nfs/dbraw/zinc/44/72/35/557447235.db2.gz LJFQFPBFYRNPEW-HSZRJFAPSA-N 1 0 441.015 5.751 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C(C)C ZINC000223349266 557461050 /nfs/dbraw/zinc/46/10/50/557461050.db2.gz AAELNUXKIPWUDA-LJQANCHMSA-N 1 0 443.031 5.870 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1C(C)C ZINC000223350285 557461317 /nfs/dbraw/zinc/46/13/17/557461317.db2.gz MWDWXDQZFXCPCZ-IBGZPJMESA-N 1 0 426.576 5.356 40 0 IKABRO O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223416010 557469499 /nfs/dbraw/zinc/46/94/99/557469499.db2.gz ITRSSSRVMCSTPF-UHFFFAOYSA-N 1 0 433.555 5.483 40 0 IKABRO CCCc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000223416445 557469519 /nfs/dbraw/zinc/46/95/19/557469519.db2.gz UBHICXIICHJRIW-UHFFFAOYSA-N 1 0 428.576 5.006 40 0 IKABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016575290 557474443 /nfs/dbraw/zinc/47/44/43/557474443.db2.gz LOQSTJCHPFPZEA-UHFFFAOYSA-N 1 0 447.200 6.089 40 0 IKABRO C[C@@H]([NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000016576217 557474599 /nfs/dbraw/zinc/47/45/99/557474599.db2.gz ZLMWYHSCJYIZRP-ZFGQVMFLSA-N 1 0 444.446 7.267 40 0 IKABRO COc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1Cl ZINC000016576210 557474643 /nfs/dbraw/zinc/47/46/43/557474643.db2.gz IHGJLFLSBDDMRD-MBBDBFLNSA-N 1 0 440.027 6.622 40 0 IKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OCc1cccs1 ZINC000016605834 557474647 /nfs/dbraw/zinc/47/46/47/557474647.db2.gz XFHAHPWZWIPBIU-VJMWJIOOSA-N 1 0 446.056 6.828 40 0 IKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000016688065 557475105 /nfs/dbraw/zinc/47/51/05/557475105.db2.gz IAYJKRBFTBCVGC-UHFFFAOYSA-N 1 0 443.223 5.525 40 0 IKABRO CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688535 557475483 /nfs/dbraw/zinc/47/54/83/557475483.db2.gz VPSGKEUFNVWMAC-UHFFFAOYSA-N 1 0 445.184 5.986 40 0 IKABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000017094691 557484825 /nfs/dbraw/zinc/48/48/25/557484825.db2.gz CIVIIJNBFUUJDV-UHFFFAOYSA-N 1 0 425.985 5.462 40 0 IKABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000017096376 557488610 /nfs/dbraw/zinc/48/86/10/557488610.db2.gz MYNSAMRJDBNTOG-UHFFFAOYSA-N 1 0 429.347 6.492 40 0 IKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1sc2ccccc2c1Cl ZINC000019639669 557503727 /nfs/dbraw/zinc/50/37/27/557503727.db2.gz YOMAQEIFTGCJNW-UHFFFAOYSA-N 1 0 444.025 5.667 40 0 IKABRO COc1ccc([C@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000004144009 557531320 /nfs/dbraw/zinc/53/13/20/557531320.db2.gz BTUTYNXWDXRDAN-MYTQDWNLSA-N 1 0 431.576 5.335 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)CC1 ZINC000223999490 557541887 /nfs/dbraw/zinc/54/18/87/557541887.db2.gz XQJQWQXZAJETMF-UHFFFAOYSA-N 1 0 438.622 5.315 40 0 IKABRO Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224292522 557586457 /nfs/dbraw/zinc/58/64/57/557586457.db2.gz GLVOZFZPKDPEDS-BJKOFHAPSA-N 1 0 425.561 5.061 40 0 IKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)CC2)c1 ZINC000224485101 557611311 /nfs/dbraw/zinc/61/13/11/557611311.db2.gz DMRMLZWNZSVZBL-UHFFFAOYSA-N 1 0 426.973 5.018 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224506802 557614272 /nfs/dbraw/zinc/61/42/72/557614272.db2.gz BAOVLYLHQYZQNH-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000224533468 557617586 /nfs/dbraw/zinc/61/75/86/557617586.db2.gz JGQVDJOAZGYDNX-UHFFFAOYSA-N 1 0 429.004 5.045 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224591736 557628250 /nfs/dbraw/zinc/62/82/50/557628250.db2.gz VQNQHZQESBLMGW-XIEYBQDHSA-N 1 0 430.979 5.793 40 0 IKABRO Cc1ccc(SCc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)cc1 ZINC000224592654 557628370 /nfs/dbraw/zinc/62/83/70/557628370.db2.gz IJRWBMHFTLATDX-UHFFFAOYSA-N 1 0 430.617 5.813 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224628156 557632752 /nfs/dbraw/zinc/63/27/52/557632752.db2.gz CDQFKYUITQYFJX-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO COc1ccc(/C=C(/C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccccc2)cc1 ZINC000224646118 557635681 /nfs/dbraw/zinc/63/56/81/557635681.db2.gz YAHFVJKPWKNSHA-VFCFBJKWSA-N 1 0 440.587 5.538 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224645990 557635751 /nfs/dbraw/zinc/63/57/51/557635751.db2.gz UEGFVXMAZSSEII-LGUFXXKBSA-N 1 0 445.006 6.183 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224676247 557639877 /nfs/dbraw/zinc/63/98/77/557639877.db2.gz BNKNYTPHKSLZQY-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224709470 557643167 /nfs/dbraw/zinc/64/31/67/557643167.db2.gz VFAJZODLJVPORX-UHFFFAOYSA-N 1 0 447.391 5.363 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224758470 557648380 /nfs/dbraw/zinc/64/83/80/557648380.db2.gz BHZQGFDRYQCFDU-XIEYBQDHSA-N 1 0 430.979 5.793 40 0 IKABRO COc1ccc(/C=C(/C(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000224758604 557648570 /nfs/dbraw/zinc/64/85/70/557648570.db2.gz SBSRRBRQRWYNIP-ZXVVBBHZSA-N 1 0 426.560 5.148 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000224786146 557651150 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438.587 5.921 40 0 IKABRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520366 557734622 /nfs/dbraw/zinc/73/46/22/557734622.db2.gz DAORLQFLBGZIGM-OYRHEFFESA-N 1 0 438.587 5.633 40 0 IKABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC000225520721 557734937 /nfs/dbraw/zinc/73/49/37/557734937.db2.gz HHVUAGCRYSFKSB-UHFFFAOYSA-N 1 0 438.587 5.777 40 0 IKABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)C1 ZINC000225523054 557735387 /nfs/dbraw/zinc/73/53/87/557735387.db2.gz DMXWAJATHBWBCZ-HXUWFJFHSA-N 1 0 441.015 5.901 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225523478 557735510 /nfs/dbraw/zinc/73/55/10/557735510.db2.gz FIUHHUMZADEAAS-UHFFFAOYSA-N 1 0 426.988 5.655 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225523521 557735553 /nfs/dbraw/zinc/73/55/53/557735553.db2.gz UGSKULTYHULAFF-UHFFFAOYSA-N 1 0 441.015 6.045 40 0 IKABRO 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CC[N@H+](CCc1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712688 569235257 /nfs/dbraw/zinc/23/52/57/569235257.db2.gz ZRAZFDACZLRQMG-PKTZIBPZSA-N 1 0 435.593 5.180 40 0 IKABRO O=C1CCC[C@@H]2[C@H](C[C@H](c3ccc(C(F)(F)F)cc3)[N@H+]2Cc2ccc3ncccc3c2)N1 ZINC000019713890 569235772 /nfs/dbraw/zinc/23/57/72/569235772.db2.gz AVYOZBNFVOQQIL-YTFSRNRJSA-N 1 0 439.481 5.238 40 0 IKABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000020239953 569241196 /nfs/dbraw/zinc/24/11/96/569241196.db2.gz PLCLLCQPEQWCCF-UHFFFAOYSA-N 1 0 448.994 6.056 40 0 IKABRO CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc21 ZINC000257199327 569275432 /nfs/dbraw/zinc/27/54/32/569275432.db2.gz ZSAFBTBLHQRTRB-NANZAVOOSA-N 1 0 445.651 5.576 40 0 IKABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)c2)c1 ZINC000257201083 569275579 /nfs/dbraw/zinc/27/55/79/569275579.db2.gz AGFGSQZJYFTLMB-LJQANCHMSA-N 1 0 440.547 5.182 40 0 IKABRO 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CCc1cccc2c(C[N@@H+]3CC[C@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c21 ZINC000257216306 569276003 /nfs/dbraw/zinc/27/60/03/569276003.db2.gz CTXNLHSMVLBPPF-IBGZPJMESA-N 1 0 445.632 5.647 40 0 IKABRO CCC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257224431 569276378 /nfs/dbraw/zinc/27/63/78/569276378.db2.gz FBUACXSRLZCZSE-UHFFFAOYSA-N 1 0 426.645 5.791 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cc3cccc(OC)c3)cn2)c2ccc(F)cc21 ZINC000257237602 569276775 /nfs/dbraw/zinc/27/67/75/569276775.db2.gz HHFSUZPWDDYIEG-MHZLTWQESA-N 1 0 443.566 6.132 40 0 IKABRO Cc1cc2ccccc2n1CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000257244957 569276929 /nfs/dbraw/zinc/27/69/29/569276929.db2.gz INLXLADZMCDXMY-SANMLTNESA-N 1 0 430.596 5.131 40 0 IKABRO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cc5c(cccc5C)[nH]4)C3)c2)s1 ZINC000257255059 569277258 /nfs/dbraw/zinc/27/72/58/569277258.db2.gz KFXXQUCMFKXVIF-SFHVURJKSA-N 1 0 445.592 5.708 40 0 IKABRO C[C@H](CC[NH+]1CCC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)CC1)c1ccccc1 ZINC000257257936 569277278 /nfs/dbraw/zinc/27/72/78/569277278.db2.gz KRRVGDGKIWCGOK-JOCHJYFZSA-N 1 0 427.592 5.052 40 0 IKABRO COc1ccc2c(C[N@@H+]3CCC[C@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1 ZINC000257269054 569277491 /nfs/dbraw/zinc/27/74/91/569277491.db2.gz MOJUJYWNUJEASP-QFIPXVFZSA-N 1 0 443.566 5.691 40 0 IKABRO C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2Cl)[C@H]1O ZINC000257269449 569277509 /nfs/dbraw/zinc/27/75/09/569277509.db2.gz MPYNNIKMRHOWDB-QKDODKLFSA-N 1 0 435.011 5.366 40 0 IKABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 ZINC000257270639 569277705 /nfs/dbraw/zinc/27/77/05/569277705.db2.gz MVBCBNDQSMJMHP-NRFANRHFSA-N 1 0 438.531 5.320 40 0 IKABRO CC(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257282691 569277888 /nfs/dbraw/zinc/27/78/88/569277888.db2.gz OUVMWSQKYRUXQB-AVRDEDQJSA-N 1 0 434.411 5.647 40 0 IKABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257282219 569278013 /nfs/dbraw/zinc/27/80/13/569278013.db2.gz OSXWJFDCTRLAAJ-RBJSKKJNSA-N 1 0 444.525 5.174 40 0 IKABRO COc1cccc2cc(C[N@@H+]3CC[C@H](c4c5ccccc5sc4C(=O)N(C)C)C3)oc21 ZINC000257291280 569278209 /nfs/dbraw/zinc/27/82/09/569278209.db2.gz QGIWTMZVNLKQCK-KRWDZBQOSA-N 1 0 434.561 5.347 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2ccccn2)CC1 ZINC000257290095 569278225 /nfs/dbraw/zinc/27/82/25/569278225.db2.gz QBOQSHPCEIBDGX-UHFFFAOYSA-N 1 0 433.621 5.161 40 0 IKABRO COc1ccc(CC(=O)N2CC[C@H](c3cc(Nc4ccc(C)cc4)cc(C)[nH+]3)C2)cc1OC ZINC000257295992 569278389 /nfs/dbraw/zinc/27/83/89/569278389.db2.gz RATRQUWGMUXJJJ-NRFANRHFSA-N 1 0 445.563 5.018 40 0 IKABRO Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)[nH+]1 ZINC000257295237 569278422 /nfs/dbraw/zinc/27/84/22/569278422.db2.gz QXNVSKYMYUCAFM-KRWDZBQOSA-N 1 0 426.973 5.192 40 0 IKABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCCC[C@H]1N(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000257300133 569278577 /nfs/dbraw/zinc/27/85/77/569278577.db2.gz RTALXBPVOXTGKA-JCYYIGJDSA-N 1 0 449.038 5.804 40 0 IKABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)c1 ZINC000257308300 569278806 /nfs/dbraw/zinc/27/88/06/569278806.db2.gz TWFVNSKPCSNUKJ-SFHVURJKSA-N 1 0 436.581 5.235 40 0 IKABRO Fc1ccc(O[C@@H]2COC3(C2)CC[NH+](Cc2cccc(OCc4ccccn4)c2)CC3)cc1 ZINC000257308687 569278835 /nfs/dbraw/zinc/27/88/35/569278835.db2.gz TXSKUEWEAPFONE-SANMLTNESA-N 1 0 448.538 5.002 40 0 IKABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)c1 ZINC000257308299 569278854 /nfs/dbraw/zinc/27/88/54/569278854.db2.gz TWFVNSKPCSNUKJ-GOSISDBHSA-N 1 0 436.581 5.235 40 0 IKABRO CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000257320513 569279109 /nfs/dbraw/zinc/27/91/09/569279109.db2.gz VXEAUQIUUHBGHL-UHFFFAOYSA-N 1 0 445.582 5.157 40 0 IKABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000257323948 569279230 /nfs/dbraw/zinc/27/92/30/569279230.db2.gz WMNVHPLBAPYRQN-QFIPXVFZSA-N 1 0 446.570 5.102 40 0 IKABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCC[NH+]3CCCCCC3)ccc1OC2(C)C ZINC000257327610 569279443 /nfs/dbraw/zinc/27/94/43/569279443.db2.gz XCAVMUMBDRWWOK-HMXCVIKNSA-N 1 0 428.617 5.079 40 0 IKABRO Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CC[NH+](Cc3ccccn3)CC2)c1 ZINC000257330970 569279526 /nfs/dbraw/zinc/27/95/26/569279526.db2.gz XQVLPHMFEBQQLL-UHFFFAOYSA-N 1 0 441.619 5.407 40 0 IKABRO CC(C)=CCOc1cc2c(cc1C[N@H+](C)Cc1ccccc1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 ZINC000257336694 569279624 /nfs/dbraw/zinc/27/96/24/569279624.db2.gz YPPOUPVITVBJKN-HPKXWHFBSA-N 1 0 449.635 6.691 40 0 IKABRO CC(C)n1c(C[N@@H+]2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc2ccccc21 ZINC000257339170 569279678 /nfs/dbraw/zinc/27/96/78/569279678.db2.gz ZAMAXNDJDIBMRI-QHCPKHFHSA-N 1 0 442.582 6.122 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816960 569281884 /nfs/dbraw/zinc/28/18/84/569281884.db2.gz SOJFYOFWYWWYNK-GJZUVCINSA-N 1 0 432.649 6.034 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260818210 569281891 /nfs/dbraw/zinc/28/18/91/569281891.db2.gz XUAOYKPJHRETSU-XLGIIRLISA-N 1 0 430.633 5.644 40 0 IKABRO O=C(Oc1cccc(N[N+](=O)c2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1 ZINC000368085315 569287858 /nfs/dbraw/zinc/28/78/58/569287858.db2.gz CQNSVCMCVYABTQ-UHFFFAOYSA-N 1 0 439.447 5.563 40 0 IKABRO CC[NH+](CC)CCOc1ccc(/C(=C\c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000077287047 569293104 /nfs/dbraw/zinc/29/31/04/569293104.db2.gz BZAXUXUBRPKOSR-XHPQRKPJSA-N 1 0 440.414 7.303 40 0 in-vitro IKABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)c1 ZINC000019689521 569326444 /nfs/dbraw/zinc/32/64/44/569326444.db2.gz GNGMYYMCVGYKLI-RUZDIDTESA-N 1 0 439.563 5.104 40 0 IKABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccc(F)cc3)CC2)sc1CCOc1ccccc1 ZINC000019705451 569327570 /nfs/dbraw/zinc/32/75/70/569327570.db2.gz SFGSWXKYYIXOGA-VWLOTQADSA-N 1 0 440.584 5.086 40 0 IKABRO COc1ccccc1-c1ccc(C[N@H+]2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)cc1 ZINC000019713919 569327818 /nfs/dbraw/zinc/32/78/18/569327818.db2.gz LICJUHANAVQSES-JIMJEQGWSA-N 1 0 426.560 5.347 40 0 IKABRO CCCCC[NH+]1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000010150590 132334992 /nfs/dbraw/zinc/33/49/92/132334992.db2.gz WTIBEFKRZWDJGA-UHFFFAOYSA-N 1 0 439.401 5.372 40 0 IKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022076260 518630213 /nfs/dbraw/zinc/63/02/13/518630213.db2.gz NYVHDSHPIHTONK-UHFFFAOYSA-N 1 0 438.837 6.986 40 0 IKABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000022074062 520691399 /nfs/dbraw/zinc/69/13/99/520691399.db2.gz UNSPTVOQNLDUGK-UHFFFAOYSA-N 1 0 426.782 5.970 40 0 IKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCc1ccccc1 ZINC000022076258 520707402 /nfs/dbraw/zinc/70/74/02/520707402.db2.gz CFVPFDPEVZZDNI-UHFFFAOYSA-N 1 0 448.445 6.731 40 0 IKABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688418 520707622 /nfs/dbraw/zinc/70/76/22/520707622.db2.gz YYCBVKUXJKOGJA-UHFFFAOYSA-N 1 0 426.782 5.968 40 0 IKABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075652 520713652 /nfs/dbraw/zinc/71/36/52/520713652.db2.gz CNWTYADZZDATSN-UHFFFAOYSA-N 1 0 425.400 5.403 40 0 IKABRO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075393 520714567 /nfs/dbraw/zinc/71/45/67/520714567.db2.gz HKRJXCVWVPQNLD-UHFFFAOYSA-N 1 0 425.400 5.403 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688518 520716498 /nfs/dbraw/zinc/71/64/98/520716498.db2.gz FKKGUVPWZMCWRV-UHFFFAOYSA-N 1 0 431.910 5.928 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022076777 520721970 /nfs/dbraw/zinc/72/19/70/520721970.db2.gz PVSUCXKXPHDKSM-UHFFFAOYSA-N 1 0 429.919 5.755 40 0 IKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC ZINC000016688364 520729047 /nfs/dbraw/zinc/72/90/47/520729047.db2.gz TXCYYJIWKFPRAV-LRYXAPPNSA-N 1 0 436.434 5.941 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)CC1 ZINC000020457697 521022005 /nfs/dbraw/zinc/02/20/05/521022005.db2.gz OIEXZBIWRFTYAF-UHFFFAOYSA-N 1 0 434.967 6.617 40 0 IKABRO CCOc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408705 521044686 /nfs/dbraw/zinc/04/46/86/521044686.db2.gz NPSFPWWRHFBOPV-NDEPHWFRSA-N 1 0 427.568 5.403 40 0 IKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022073881 522441284 /nfs/dbraw/zinc/44/12/84/522441284.db2.gz SMTKVJSHBAEFNA-UHFFFAOYSA-N 1 0 446.418 6.639 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022073681 522467288 /nfs/dbraw/zinc/46/72/88/522467288.db2.gz HISWMWRSQADBNS-UHFFFAOYSA-N 1 0 436.766 6.524 40 0 IKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1 ZINC000022073671 522481960 /nfs/dbraw/zinc/48/19/60/522481960.db2.gz LTXJBFGWRXFRNH-PYMPDBRZSA-N 1 0 440.027 6.622 40 0 IKABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020459754 523018899 /nfs/dbraw/zinc/01/88/99/523018899.db2.gz ARXZWIDUPRWYQG-QFIPXVFZSA-N 1 0 426.626 5.242 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)ccc21 ZINC000020450520 523277360 /nfs/dbraw/zinc/27/73/60/523277360.db2.gz FSHNVYLLRGZKFU-UHFFFAOYSA-N 1 0 425.576 6.299 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC ZINC000016227397 523975303 /nfs/dbraw/zinc/97/53/03/523975303.db2.gz LQXRQCLXFQFBEM-UHFFFAOYSA-N 1 0 441.955 5.277 40 0 IKABRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000022076787 524072940 /nfs/dbraw/zinc/07/29/40/524072940.db2.gz WBZRDMZCPAMILD-UHFFFAOYSA-N 1 0 436.766 6.524 40 0 IKABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000022076731 524073014 /nfs/dbraw/zinc/07/30/14/524073014.db2.gz HPBIQSZZKDIKHF-UHFFFAOYSA-N 1 0 432.347 5.879 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)C1 ZINC000020488040 524233941 /nfs/dbraw/zinc/23/39/41/524233941.db2.gz TVEDREBYEGQEJI-QGZVFWFLSA-N 1 0 435.008 5.374 40 0 IKABRO C[C@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000022580843 524503846 /nfs/dbraw/zinc/50/38/46/524503846.db2.gz TZTINWHNVDZMRN-NSQROVRMSA-N 1 0 434.627 6.522 40 0 IKABRO Cc1ccccc1C[NH+]1CCN(CCO[C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000022588434 525144883 /nfs/dbraw/zinc/14/48/83/525144883.db2.gz VEVSKUJZSMGTMM-MHZLTWQESA-N 1 0 435.011 5.572 40 0 in-man IKABRO C[C@]12CC3CC([NH2+]Cc4c(OCc5ccc(F)cc5)ccc5ccccc54)(C1)C[C@@](C)(C3)C2 ZINC000016605717 525341154 /nfs/dbraw/zinc/34/11/54/525341154.db2.gz ZEUSGPWUMRWCFY-HCWJTZRGSA-N 1 0 443.606 7.397 40 0 IKABRO C[C@]12CC3CC([NH2+]Cc4cc(Cl)ccc4OCc4ccc(Cl)cc4)(C1)C[C@@](C)(C3)C2 ZINC000016605864 525342387 /nfs/dbraw/zinc/34/23/87/525342387.db2.gz HPOAMXMUZSNMFG-JZHSQQRGSA-N 1 0 444.446 7.411 40 0 IKABRO C[C@@H]([NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000022074161 525512491 /nfs/dbraw/zinc/51/24/91/525512491.db2.gz GJLAWZYMGGILIF-MRXNPFEDSA-N 1 0 430.773 6.532 40 0 IKABRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000022073941 525514477 /nfs/dbraw/zinc/51/44/77/525514477.db2.gz RJUVNADBUYSSIN-ZFGQVMFLSA-N 1 0 444.446 7.267 40 0 IKABRO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccc(Cl)cc1Cl ZINC000022073708 526011724 /nfs/dbraw/zinc/01/17/24/526011724.db2.gz QOSGTJJVWYHTIC-UHFFFAOYSA-N 1 0 446.418 6.495 40 0 IKABRO c1ccc([C@@H]2[NH2+][C@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@@H]2c2ccccc2)cc1 ZINC000035188526 526495839 /nfs/dbraw/zinc/49/58/39/526495839.db2.gz CXHSWOPDKRTKSI-XKKJXBDVSA-N 1 0 449.597 7.823 40 0 IKABRO c1ccc([C@H]2[NH2+][C@H](c3ccccc3)[C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1 ZINC000035188530 526500054 /nfs/dbraw/zinc/50/00/54/526500054.db2.gz CXHSWOPDKRTKSI-WRVRXEDSSA-N 1 0 449.597 7.823 40 0 IKABRO c1coc([C@@H]2[C@@H](c3ccccc3)[NH2+][C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)c1 ZINC000016478164 526568896 /nfs/dbraw/zinc/56/88/96/526568896.db2.gz DDHXGJCURYWKBG-OLUZHXLYSA-N 1 0 439.558 7.416 40 0 IKABRO Clc1ccc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)c(Cl)c1 ZINC000022108130 526933481 /nfs/dbraw/zinc/93/34/81/526933481.db2.gz JGPLKWUHKVSMGK-UHFFFAOYSA-N 1 0 446.363 5.111 40 0 IKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCCCCC1 ZINC000022076306 526988630 /nfs/dbraw/zinc/98/86/30/526988630.db2.gz WWGMWQGPMJJQEV-UHFFFAOYSA-N 1 0 436.821 6.884 40 0 IKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000022073718 526989723 /nfs/dbraw/zinc/98/97/23/526989723.db2.gz GXWUBYJXMKSKQI-UHFFFAOYSA-N 1 0 432.007 7.131 40 0 IKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000022073720 526989896 /nfs/dbraw/zinc/98/98/96/526989896.db2.gz MLMZIDVKJBQWJW-UHFFFAOYSA-N 1 0 432.007 6.987 40 0 IKABRO O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000012494837 527411894 /nfs/dbraw/zinc/41/18/94/527411894.db2.gz INPCWVIZDHNUGY-YQQQUEKLSA-N 1 0 435.465 5.552 40 0 IKABRO O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000000538335 555510437 /nfs/dbraw/zinc/51/04/37/555510437.db2.gz LZFSKNPPWIFMFL-UHFFFAOYSA-N 1 0 443.868 5.444 40 0 in-man IKABRO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)c1C ZINC000001448860 555699622 /nfs/dbraw/zinc/69/96/22/555699622.db2.gz GYOKFBOADAVHAG-QFIPXVFZSA-N 1 0 443.012 6.685 40 0 IKABRO CCC[NH+](CCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 ZINC000001594231 555705235 /nfs/dbraw/zinc/70/52/35/555705235.db2.gz SSBVKHJVSWKOSS-QHCPKHFHSA-N 1 0 431.407 6.672 40 0 IKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C)ccc21 ZINC000001683590 555709292 /nfs/dbraw/zinc/70/92/92/555709292.db2.gz VPALBSZUBPFIFX-AREMUKBSSA-N 1 0 425.016 6.799 40 0 IKABRO CC[NH+](CC)CCOc1ccc(C2=C(c3ccc(OC)cc3)Cc3cc(OC)ccc32)cc1 ZINC000001692218 555709655 /nfs/dbraw/zinc/70/96/55/555709655.db2.gz RRQDMEPRABCAAF-UHFFFAOYSA-N 1 0 443.587 5.940 40 0 in-vitro IKABRO c1ccc([C@@H]2[NH2+][C@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@H]2c2ccccc2)cc1 ZINC000035188528 555985854 /nfs/dbraw/zinc/98/58/54/555985854.db2.gz CXHSWOPDKRTKSI-XFCANUNOSA-N 1 0 449.597 7.823 40 0 IKABRO c1ccc([C@H]2[NH2+][C@H](c3ccccc3)[C@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1 ZINC000035188532 555986163 /nfs/dbraw/zinc/98/61/63/555986163.db2.gz CXHSWOPDKRTKSI-WIHCDAFUSA-N 1 0 449.597 7.823 40 0 IKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1ccc(Br)c2ccccc21 ZINC000004416110 555993606 /nfs/dbraw/zinc/99/36/06/555993606.db2.gz URXZYOIAWUNNLJ-DEOSSOPVSA-N 1 0 434.462 7.098 40 0 IKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC[NH2+]CCO)[C@@H]3CC[C@]12C ZINC000004743448 556009220 /nfs/dbraw/zinc/00/92/20/556009220.db2.gz GKXLUGLOAOBFQD-WTYIUZJDSA-N 1 0 433.721 6.239 40 0 IKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12 ZINC000005837809 556067298 /nfs/dbraw/zinc/06/72/98/556067298.db2.gz CQQAUKSQKSIDAD-RUZDIDTESA-N 1 0 425.016 6.799 40 0 IKABRO O=C(NCCCCC[NH+]1CCC2(CCCCC2)CC1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000005941183 556070099 /nfs/dbraw/zinc/07/00/99/556070099.db2.gz SFSBYBMQEOXDPV-MHZLTWQESA-N 1 0 438.700 6.683 40 0 IKABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)c(SCc3ccccc3)cc21 ZINC000008614498 556192278 /nfs/dbraw/zinc/19/22/78/556192278.db2.gz CPNZFAYIRSHTEY-LJQANCHMSA-N 1 0 442.072 7.103 40 0 IKABRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OCC ZINC000039760126 556436431 /nfs/dbraw/zinc/43/64/31/556436431.db2.gz MYFBYCIZSKMDMU-SFHVURJKSA-N 1 0 445.003 5.227 40 0 IKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 ZINC000039767491 556437071 /nfs/dbraw/zinc/43/70/71/556437071.db2.gz IIFCJLHYVDBBBG-UHFFFAOYSA-N 1 0 434.967 6.291 40 0 IKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)cc1 ZINC000039772957 556437725 /nfs/dbraw/zinc/43/77/25/556437725.db2.gz MXFJMXXYBZLALF-UHFFFAOYSA-N 1 0 446.978 5.730 40 0 IKABRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039772811 556437787 /nfs/dbraw/zinc/43/77/87/556437787.db2.gz VNQUSPUNAZIOGV-UHFFFAOYSA-N 1 0 431.285 5.863 40 0 IKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039772220 556437864 /nfs/dbraw/zinc/43/78/64/556437864.db2.gz RUYKNMLFMNSUHB-UHFFFAOYSA-N 1 0 431.285 5.863 40 0 IKABRO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000039745128 556438392 /nfs/dbraw/zinc/43/83/92/556438392.db2.gz ZSYIBNUEUBFXAB-UHFFFAOYSA-N 1 0 428.960 5.148 40 0 IKABRO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039748663 556438412 /nfs/dbraw/zinc/43/84/12/556438412.db2.gz WNDYGWRQXLYQCJ-UHFFFAOYSA-N 1 0 428.960 5.148 40 0 IKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039745407 556438420 /nfs/dbraw/zinc/43/84/20/556438420.db2.gz YMQFHXALPDTAMT-UHFFFAOYSA-N 1 0 438.930 6.122 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)ccc21 ZINC000039748660 556438474 /nfs/dbraw/zinc/43/84/74/556438474.db2.gz KHBIWIORDMRKRJ-UHFFFAOYSA-N 1 0 445.994 6.319 40 0 IKABRO O=C(Nc1ccc(Br)cc1F)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039751212 556438756 /nfs/dbraw/zinc/43/87/56/556438756.db2.gz YIFJSBCZVUPCLP-UHFFFAOYSA-N 1 0 425.729 5.092 40 0 IKABRO O=C(NCCSCc1c(Cl)cccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039753496 556438802 /nfs/dbraw/zinc/43/88/02/556438802.db2.gz JMOZSALZJWCATP-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4ccc(C)cc4)CC3)ccc21 ZINC000039756143 556439315 /nfs/dbraw/zinc/43/93/15/556439315.db2.gz DPHQBJNOWXVKMX-UHFFFAOYSA-N 1 0 425.576 5.974 40 0 IKABRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039757600 556441328 /nfs/dbraw/zinc/44/13/28/556441328.db2.gz ZZPYCIGHNIPSPZ-UHFFFAOYSA-N 1 0 432.178 6.151 40 0 IKABRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc(OCC(C)C)cc2)on1)c1ccc(C)cc1 ZINC000028296136 556451324 /nfs/dbraw/zinc/45/13/24/556451324.db2.gz FYIFMZVSLNJTAL-RUZDIDTESA-N 1 0 449.595 5.498 40 0 IKABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000408871944 556463415 /nfs/dbraw/zinc/46/34/15/556463415.db2.gz ZXJGCGRTWJLHSF-UHFFFAOYSA-N 1 0 432.995 6.355 40 0 IKABRO C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000029590275 556478243 /nfs/dbraw/zinc/47/82/43/556478243.db2.gz ACKAQJBYLPLIOW-QFIPXVFZSA-N 1 0 447.003 6.579 40 0 in-vitro IKABRO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015017500 556486418 /nfs/dbraw/zinc/48/64/18/556486418.db2.gz AUYNEYDHGNEHLB-PXJZQJOASA-N 1 0 438.571 5.408 40 0 IKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030754110 556503884 /nfs/dbraw/zinc/50/38/84/556503884.db2.gz FZHZYYSAPCZNTJ-UHFFFAOYSA-N 1 0 444.644 6.772 40 0 IKABRO CC[C@H]1c2c(cc(OC)c(O)c2Oc2cc3c(cc2OC)CC[N@H+](C)[C@H]3CC)CCN1C ZINC000013407299 556504879 /nfs/dbraw/zinc/50/48/79/556504879.db2.gz BOXBKGGQZPGMRE-PMACEKPBSA-N 1 0 440.584 5.080 40 0 IKABRO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030943145 556516545 /nfs/dbraw/zinc/51/65/45/556516545.db2.gz YIDYTNLZSCERGY-OAQYLSRUSA-N 1 0 432.951 5.422 40 0 IKABRO Cc1c(Cl)ccc2c([C@@H](O)C[NH2+]Cc3ccccc3)cc(-c3ccc(Cl)cc3)nc12 ZINC000031614438 556524839 /nfs/dbraw/zinc/52/48/39/556524839.db2.gz QGSBHKGMFVUSRO-DEOSSOPVSA-N 1 0 437.370 6.340 40 0 IKABRO CC1=C(c2ccccc2)[C@@H](c2ccccc2)C(/C=C\c2ccccc2)=[NH+]C=C1c1ccccc1 ZINC000031740073 556525758 /nfs/dbraw/zinc/52/57/58/556525758.db2.gz WNVFKEPKFBWOQI-MWWSEKAKSA-N 1 0 437.586 8.453 40 0 IKABRO Cc1cc(C)c2nc3c(c([C@H](O)[C@@H]4CCCC[NH2+]4)c2c1)CC/C3=C\c1ccc(Cl)cc1 ZINC000031761062 556526202 /nfs/dbraw/zinc/52/62/02/556526202.db2.gz RBWRXGUYQAVWHA-PDBAVAOXSA-N 1 0 432.995 6.167 40 0 in-vitro IKABRO COc1ccc([C@H](CNC(=S)Nc2ccc(F)c(Cl)c2)[NH+]2CCCCCC2)cc1 ZINC000032555787 556540883 /nfs/dbraw/zinc/54/08/83/556540883.db2.gz AKCXOIYBJBFTIZ-NRFANRHFSA-N 1 0 435.996 5.391 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195501 556589897 /nfs/dbraw/zinc/58/98/97/556589897.db2.gz APKKIPCDYAVISZ-UHFFFAOYSA-N 1 0 436.766 6.524 40 0 IKABRO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195631 556590064 /nfs/dbraw/zinc/59/00/64/556590064.db2.gz DKGFHAAVKJJVKH-MRXNPFEDSA-N 1 0 430.759 5.503 40 0 IKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016195556 556590137 /nfs/dbraw/zinc/59/01/37/556590137.db2.gz PRDAECUQKNDNIF-UHFFFAOYSA-N 1 0 438.930 5.880 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F ZINC000016195868 556590419 /nfs/dbraw/zinc/59/04/19/556590419.db2.gz ZLWVZJBMZKTLNQ-UHFFFAOYSA-N 1 0 448.307 5.605 40 0 IKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1c(Cl)cccc1Cl ZINC000016196252 556590425 /nfs/dbraw/zinc/59/04/25/556590425.db2.gz GWWZFQUHIXNZTM-UHFFFAOYSA-N 1 0 446.418 6.495 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000016216637 556591914 /nfs/dbraw/zinc/59/19/14/556591914.db2.gz DUOXVKXDFVLFND-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC ZINC000016227440 556593149 /nfs/dbraw/zinc/59/31/49/556593149.db2.gz SGVNEBCELSLDQX-UHFFFAOYSA-N 1 0 441.955 5.277 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC ZINC000016227412 556593166 /nfs/dbraw/zinc/59/31/66/556593166.db2.gz FXSVCIURAFBTTE-UHFFFAOYSA-N 1 0 429.919 5.408 40 0 IKABRO Cc1cc(Br)c2c(c1)C(=O)[C@](C[NH+]1CCCCC1)(Sc1ccccc1)CO2 ZINC000016284093 556596943 /nfs/dbraw/zinc/59/69/43/556596943.db2.gz DXBFZQAEGZSPTN-JOCHJYFZSA-N 1 0 446.410 5.350 40 0 IKABRO Cc1ccc(S[C@@]2(C[NH+]3CCCC3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310875 556599590 /nfs/dbraw/zinc/59/95/90/556599590.db2.gz GFOGTZCJSFXEIJ-QFIPXVFZSA-N 1 0 446.410 5.268 40 0 IKABRO Cc1ccc(S[C@@]2(C[NH+]3CCCCC3)COc3ccc(Br)cc3C2=O)cc1 ZINC000016310904 556599607 /nfs/dbraw/zinc/59/96/07/556599607.db2.gz VHAFIUUCEBAGQT-QFIPXVFZSA-N 1 0 446.410 5.350 40 0 IKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccs2)c(Cl)c1 ZINC000016526009 556614370 /nfs/dbraw/zinc/61/43/70/556614370.db2.gz QEIBLWZAFIAQGM-UHFFFAOYSA-N 1 0 428.384 7.077 40 0 IKABRO C[C@]12CC3CC([NH2+]Cc4cc(Cl)ccc4OCc4ccccc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000016605908 556617086 /nfs/dbraw/zinc/61/70/86/556617086.db2.gz WGXGGECIJBTLOC-WNPZUFKQSA-N 1 0 444.446 7.411 40 0 IKABRO O=C(NCCSCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848528 556623703 /nfs/dbraw/zinc/62/37/03/556623703.db2.gz RPPDREOVHBIOAY-LJQANCHMSA-N 1 0 437.436 5.255 40 0 IKABRO O=C(NCCSCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848527 556623732 /nfs/dbraw/zinc/62/37/32/556623732.db2.gz RPPDREOVHBIOAY-IBGZPJMESA-N 1 0 437.436 5.255 40 0 IKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038850634 556624520 /nfs/dbraw/zinc/62/45/20/556624520.db2.gz AJMSKNCBUMLIGH-JOCHJYFZSA-N 1 0 434.967 5.770 40 0 IKABRO CCOCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000016687991 556625637 /nfs/dbraw/zinc/62/56/37/556625637.db2.gz CCVYFDDCYWUANJ-UHFFFAOYSA-N 1 0 440.353 5.082 40 0 IKABRO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C[NH+]3CCCCCC3)cc1)CCCC2 ZINC000038857845 556626066 /nfs/dbraw/zinc/62/60/66/556626066.db2.gz KHBAVTYAJZVJER-UHFFFAOYSA-N 1 0 440.609 5.432 40 0 IKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688513 556626379 /nfs/dbraw/zinc/62/63/79/556626379.db2.gz GLYCFNNXBRVHSD-QFIPXVFZSA-N 1 0 429.919 5.280 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688471 556626422 /nfs/dbraw/zinc/62/64/22/556626422.db2.gz LKQIOXUDTJLDCZ-UHFFFAOYSA-N 1 0 448.365 6.443 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCc1ccccc1 ZINC000016688626 556626675 /nfs/dbraw/zinc/62/66/75/556626675.db2.gz UMXNQEUIUKGLRH-UHFFFAOYSA-N 1 0 427.342 5.112 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688524 556626695 /nfs/dbraw/zinc/62/66/95/556626695.db2.gz RHIAZBCJFZAIGK-UHFFFAOYSA-N 1 0 434.338 6.400 40 0 IKABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688568 556626697 /nfs/dbraw/zinc/62/66/97/556626697.db2.gz SKKPWNNQUMJUMM-QGZVFWFLSA-N 1 0 444.786 5.893 40 0 IKABRO CCCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044851540 556670493 /nfs/dbraw/zinc/67/04/93/556670493.db2.gz TXMZLFPPONXGKV-JOCHJYFZSA-N 1 0 429.004 5.090 40 0 IKABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044851591 556670651 /nfs/dbraw/zinc/67/06/51/556670651.db2.gz YWRDLUIRBZQIJS-UHFFFAOYSA-N 1 0 429.004 5.090 40 0 IKABRO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@@H+]3CCc4ccccc4C3)cc1)CC(C)(C)O2 ZINC000044855280 556671306 /nfs/dbraw/zinc/67/13/06/556671306.db2.gz SIKJKYXOZMGNLB-SANMLTNESA-N 1 0 440.587 5.586 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044855378 556671657 /nfs/dbraw/zinc/67/16/57/556671657.db2.gz ANOOFPJCNLGCDK-JOCHJYFZSA-N 1 0 426.988 5.279 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000044857214 556673119 /nfs/dbraw/zinc/67/31/19/556673119.db2.gz JINKYIMDBNGOOP-XIEYBQDHSA-N 1 0 430.979 5.793 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)C1 ZINC000044905444 556679732 /nfs/dbraw/zinc/67/97/32/556679732.db2.gz LMQRHQDQQTWFEL-NRFANRHFSA-N 1 0 446.566 5.567 40 0 IKABRO CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000044916150 556681308 /nfs/dbraw/zinc/68/13/08/556681308.db2.gz PMGIFXDKSUMOQY-UHFFFAOYSA-N 1 0 429.004 5.088 40 0 IKABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044937265 556682986 /nfs/dbraw/zinc/68/29/86/556682986.db2.gz YCJAWBCHKVBDFY-DEOSSOPVSA-N 1 0 429.004 5.464 40 0 IKABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044937268 556683003 /nfs/dbraw/zinc/68/30/03/556683003.db2.gz YCJAWBCHKVBDFY-XMMPIXPASA-N 1 0 429.004 5.464 40 0 IKABRO CCOC(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)ccc1Cl ZINC000044939553 556683264 /nfs/dbraw/zinc/68/32/64/556683264.db2.gz MNWRMWDVXNKXFN-MRXNPFEDSA-N 1 0 435.351 5.021 40 0 IKABRO Fc1ccc(C[n+]2cc(Br)cc(-c3nc4ccccc4s3)c2)c(Cl)c1 ZINC000226308506 556684125 /nfs/dbraw/zinc/68/41/25/556684125.db2.gz YGODPGRWPDWCQZ-UHFFFAOYSA-N 1 0 434.741 5.854 40 0 IKABRO Cc1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 ZINC000226308452 556684282 /nfs/dbraw/zinc/68/42/82/556684282.db2.gz JDKNXZYAMBQFMZ-UHFFFAOYSA-N 1 0 432.700 5.694 40 0 IKABRO C=C1[NH+]=C(SCc2ccc(Br)cc2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408987161 556690942 /nfs/dbraw/zinc/69/09/42/556690942.db2.gz DVCIGMDEUCOXNG-IBGZPJMESA-N 1 0 445.382 5.220 40 0 IKABRO Brc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C2CCCCC2)cc1 ZINC000000708904 556691913 /nfs/dbraw/zinc/69/19/13/556691913.db2.gz ZXPASSFBTVHUOW-UHFFFAOYSA-N 1 0 437.385 5.641 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081915 556696707 /nfs/dbraw/zinc/69/67/07/556696707.db2.gz WQCKZFODFKODBS-BKMJKUGQSA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081912 556696730 /nfs/dbraw/zinc/69/67/30/556696730.db2.gz WQCKZFODFKODBS-NVQXNPDNSA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000019082080 556696993 /nfs/dbraw/zinc/69/69/93/556696993.db2.gz RHVZZTODTOPOSR-AREMUKBSSA-N 1 0 449.639 5.519 40 0 IKABRO COc1cc2c(cc1C[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC1)CCCC2 ZINC000019082011 556697031 /nfs/dbraw/zinc/69/70/31/556697031.db2.gz GNZBKWQBIWCSPJ-AREMUKBSSA-N 1 0 449.639 5.085 40 0 IKABRO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc2ncccc12)c1ccccn1 ZINC000019082765 556697337 /nfs/dbraw/zinc/69/73/37/556697337.db2.gz ZBVJBBPYESHMOH-NVQXNPDNSA-N 1 0 444.623 5.668 40 0 IKABRO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1cccc2ncccc12)c1ccccn1 ZINC000019082769 556697655 /nfs/dbraw/zinc/69/76/55/556697655.db2.gz ZBVJBBPYESHMOH-GJZUVCINSA-N 1 0 444.623 5.668 40 0 IKABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086165 556699595 /nfs/dbraw/zinc/69/95/95/556699595.db2.gz WYNPGCHGDZSXER-NZQKXSOJSA-N 1 0 441.641 5.190 40 0 IKABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1nc(C)cc1C ZINC000019210157 556708801 /nfs/dbraw/zinc/70/88/01/556708801.db2.gz WAYILDHBWGYAAL-UHFFFAOYSA-N 1 0 440.591 5.463 40 0 IKABRO COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCCCC4)C=C3C)nc2c1 ZINC000072321000 556709860 /nfs/dbraw/zinc/70/98/60/556709860.db2.gz DSGTTYVEKTZFJR-FUDKSRODSA-N 1 0 437.628 5.669 40 0 biogenic,in-vitro IKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236835 556721375 /nfs/dbraw/zinc/72/13/75/556721375.db2.gz OMCGVHHFEZRBJQ-BKMJKUGQSA-N 1 0 443.591 5.090 40 0 IKABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000019292953 556732580 /nfs/dbraw/zinc/73/25/80/556732580.db2.gz ZOYQVSXIJAZJGK-JTAQYXEDSA-N 1 0 430.564 5.033 40 0 IKABRO O=C1[C@@H]2[C@H](c3ccccc3)N[C@@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000019300803 556735333 /nfs/dbraw/zinc/73/53/33/556735333.db2.gz ITTQAMYBEGYMAS-HYQNUUMSSA-N 1 0 444.578 5.960 40 0 IKABRO O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349225 556744011 /nfs/dbraw/zinc/74/40/11/556744011.db2.gz NZYMHEQQFZVMFW-HWBMXIPRSA-N 1 0 449.957 5.004 40 0 IKABRO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349223 556744137 /nfs/dbraw/zinc/74/41/37/556744137.db2.gz WNNRKAFGPUNGNQ-FIXSFTCYSA-N 1 0 438.543 5.157 40 0 IKABRO Cc1nc(-c2ccc(C)cc2)[nH]c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019368434 556746584 /nfs/dbraw/zinc/74/65/84/556746584.db2.gz HTDFEXRUDGWNHA-UHFFFAOYSA-N 1 0 436.603 5.601 40 0 in-man IKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(F)c3F)CC[C@@H]21 ZINC000019369010 556746754 /nfs/dbraw/zinc/74/67/54/556746754.db2.gz KREASIPEBIGUKX-FUDKSRODSA-N 1 0 438.543 5.157 40 0 IKABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400658 556753298 /nfs/dbraw/zinc/75/32/98/556753298.db2.gz IJYQIGXWGGCOGZ-KCWPFWIISA-N 1 0 447.623 5.273 40 0 IKABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1)c1cccs1 ZINC000019400728 556753408 /nfs/dbraw/zinc/75/34/08/556753408.db2.gz LUCARIUSSHTQDA-NLFFAJNJSA-N 1 0 442.588 5.075 40 0 IKABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1)c1cccs1 ZINC000019400737 556753474 /nfs/dbraw/zinc/75/34/74/556753474.db2.gz LUCARIUSSHTQDA-NBGIEHNGSA-N 1 0 442.588 5.075 40 0 IKABRO Clc1ccc(C2=C[C@H](c3ccc(OCc4ccccc4)cc3)N3NC=NC3=[NH+]2)cc1Cl ZINC000409058652 556756591 /nfs/dbraw/zinc/75/65/91/556756591.db2.gz UOMNFVXHYGIZJS-HSZRJFAPSA-N 1 0 449.341 5.873 40 0 IKABRO C[C@H](Cc1cccs1)C(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC(C)(C)C)CC1 ZINC000019457128 556765872 /nfs/dbraw/zinc/76/58/72/556765872.db2.gz QDLZMQBAZWKAQL-MRXNPFEDSA-N 1 0 442.604 5.330 40 0 IKABRO CN(C)c1nc2ccccc2cc1CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019461029 556767603 /nfs/dbraw/zinc/76/76/03/556767603.db2.gz WWYLIVLOKNDXJJ-UHFFFAOYSA-N 1 0 431.628 5.007 40 0 IKABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000019522015 556779013 /nfs/dbraw/zinc/77/90/13/556779013.db2.gz MIIHEJJERLABRU-OAHLLOKOSA-N 1 0 449.473 5.201 40 0 IKABRO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2ccc(OC)c(OC)c2)n1 ZINC000019525605 556783280 /nfs/dbraw/zinc/78/32/80/556783280.db2.gz MHZYQRMVNLSUOL-JOCHJYFZSA-N 1 0 432.568 5.236 40 0 IKABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)ccc1OC ZINC000019531968 556792261 /nfs/dbraw/zinc/79/22/61/556792261.db2.gz DWZPCKDIPKAXEQ-INIZCTEOSA-N 1 0 449.473 5.337 40 0 IKABRO CCOc1ccc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1OC ZINC000019533750 556793622 /nfs/dbraw/zinc/79/36/22/556793622.db2.gz GPZDNBFGGGCSFS-UHFFFAOYSA-N 1 0 431.483 5.256 40 0 IKABRO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019565458 556806117 /nfs/dbraw/zinc/80/61/17/556806117.db2.gz IKJSESGMBKPEPQ-DEOSSOPVSA-N 1 0 436.575 5.126 40 0 IKABRO Cc1c(C[NH+]2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000019565893 556806477 /nfs/dbraw/zinc/80/64/77/556806477.db2.gz GLSOAVNGTFJBQD-VWLOTQADSA-N 1 0 444.604 5.316 40 0 IKABRO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C ZINC000019567349 556807642 /nfs/dbraw/zinc/80/76/42/556807642.db2.gz WILOFJCQXZPGJY-DEOSSOPVSA-N 1 0 445.611 5.266 40 0 IKABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000004971401 556826372 /nfs/dbraw/zinc/82/63/72/556826372.db2.gz FMOSXWGMOAQLCW-HDICACEKSA-N 1 0 427.589 5.273 40 0 IKABRO C[NH+](C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000006075323 556828142 /nfs/dbraw/zinc/82/81/42/556828142.db2.gz JUSOWAIJFONAIA-UHFFFAOYSA-N 1 0 439.600 5.845 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(OC)cc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000006511290 556838245 /nfs/dbraw/zinc/83/82/45/556838245.db2.gz PCHIWNFIPSJWJL-UHFFFAOYSA-N 1 0 441.572 5.337 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c(C)n1 ZINC000019688348 556843219 /nfs/dbraw/zinc/84/32/19/556843219.db2.gz KZKWDZNWFQYCGP-QHCPKHFHSA-N 1 0 428.502 5.553 40 0 IKABRO CC1(C)C=C(CC(=O)N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)CC(C)(C)[NH2+]1 ZINC000019690244 556845902 /nfs/dbraw/zinc/84/59/02/556845902.db2.gz XBKNKPHEHJBCBK-QHCPKHFHSA-N 1 0 449.614 5.385 40 0 IKABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cc(Cc2ccc(C(F)(F)F)cc2)cc(C)n1 ZINC000019690870 556846815 /nfs/dbraw/zinc/84/68/15/556846815.db2.gz CMTLYJZBWDIATH-QHCPKHFHSA-N 1 0 428.502 5.379 40 0 IKABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019743112 556887443 /nfs/dbraw/zinc/88/74/43/556887443.db2.gz PUWFKKHSCBOYDX-XMMPIXPASA-N 1 0 432.612 5.167 40 0 IKABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743187 556887716 /nfs/dbraw/zinc/88/77/16/556887716.db2.gz FEPQCMIMYDZVBY-QHCPKHFHSA-N 1 0 436.575 5.263 40 0 IKABRO O=C(Nc1nccs1)c1cc([C@@H]2C[N@@H+](C3CCCCCC3)CCO2)nc2ccccc21 ZINC000019754920 556898076 /nfs/dbraw/zinc/89/80/76/556898076.db2.gz WWLLNTMULYQURW-QFIPXVFZSA-N 1 0 436.581 5.040 40 0 IKABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330420 556905512 /nfs/dbraw/zinc/90/55/12/556905512.db2.gz PFRUPJQXTWCCGR-OFVILXPXSA-N 1 0 449.620 5.314 40 0 IKABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000072330452 556905719 /nfs/dbraw/zinc/90/57/19/556905719.db2.gz UPNOWJXQNJEUJY-NLFFAJNJSA-N 1 0 427.539 5.010 40 0 IKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330476 556905754 /nfs/dbraw/zinc/90/57/54/556905754.db2.gz NEXFORKBUORCEF-BYLRJITOSA-N 1 0 439.603 5.297 40 0 IKABRO CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000072345177 556916795 /nfs/dbraw/zinc/91/67/95/556916795.db2.gz MBRUZKVLLJLVEN-UHFFFAOYSA-N 1 0 433.621 5.080 40 0 IKABRO CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000072352606 556924862 /nfs/dbraw/zinc/92/48/62/556924862.db2.gz WVUNHTCSCQSAQR-FQEVSTJZSA-N 1 0 447.604 5.085 40 0 IKABRO Cc1cccc(Nc2ccc([C@H]3CCC[N@H+]3Cc3cc4ccccc4nc3N(C)C)nc2)n1 ZINC000072353095 556925370 /nfs/dbraw/zinc/92/53/70/556925370.db2.gz SMQHXNSFIJWGBC-RUZDIDTESA-N 1 0 438.579 5.480 40 0 IKABRO OCCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c2ccccc21 ZINC000072353188 556925948 /nfs/dbraw/zinc/92/59/48/556925948.db2.gz HETZVIQGCYTTBZ-RUZDIDTESA-N 1 0 445.542 5.034 40 0 IKABRO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)n1 ZINC000072353670 556927707 /nfs/dbraw/zinc/92/77/07/556927707.db2.gz YWKNROIRKRMSAS-FQEVSTJZSA-N 1 0 426.568 5.157 40 0 IKABRO Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000072354213 556929553 /nfs/dbraw/zinc/92/95/53/556929553.db2.gz HVDUTGSWTGSAOB-VWLOTQADSA-N 1 0 445.651 5.554 40 0 IKABRO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3cccc4ncccc34)C2)[nH]n1 ZINC000072371724 556940545 /nfs/dbraw/zinc/94/05/45/556940545.db2.gz XXIKNKKBVRRXQW-IBGZPJMESA-N 1 0 432.955 5.222 40 0 IKABRO C[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)N4CCC5(C4)CCCCC5)CCOCC3)c2)C1 ZINC000072372262 556941918 /nfs/dbraw/zinc/94/19/18/556941918.db2.gz CJGKMZUIZPGCDH-RUZDIDTESA-N 1 0 438.656 5.018 40 0 IKABRO Cc1c(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccc(C)cc12 ZINC000072394602 556965951 /nfs/dbraw/zinc/96/59/51/556965951.db2.gz IINWLOKNNJHZFI-QFIPXVFZSA-N 1 0 439.625 5.622 40 0 IKABRO CCOc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)ccc1OC ZINC000072395570 556967285 /nfs/dbraw/zinc/96/72/85/556967285.db2.gz OJONGWYPNUKOND-RBUKOAKNSA-N 1 0 427.495 5.138 40 0 IKABRO Cc1c(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000072398619 556970307 /nfs/dbraw/zinc/97/03/07/556970307.db2.gz ZNZQAZSAOJYLLX-NLFFAJNJSA-N 1 0 433.596 5.560 40 0 IKABRO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398615 556970323 /nfs/dbraw/zinc/97/03/23/556970323.db2.gz WKYZAVFTGFUEMZ-CLOONOSVSA-N 1 0 433.596 5.506 40 0 IKABRO Cc1ccc(C)c(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)c1 ZINC000005380035 557078063 /nfs/dbraw/zinc/07/80/63/557078063.db2.gz IPRFZJUXHMFQAB-UHFFFAOYSA-N 1 0 426.583 7.640 40 0 IKABRO Oc1ccccc1/C=C\c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1 ZINC000004551917 557142459 /nfs/dbraw/zinc/14/24/59/557142459.db2.gz OKJYKDQIGPYCKE-SDXDJHTJSA-O 1 0 427.523 8.438 40 0 IKABRO CC(C(=O)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)(c1ccccc1)c1ccccc1 ZINC000005945231 557144663 /nfs/dbraw/zinc/14/46/63/557144663.db2.gz BPORDLACUFBKBH-UHFFFAOYSA-N 1 0 443.616 5.102 40 0 IKABRO 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 557162336 /nfs/dbraw/zinc/16/23/36/557162336.db2.gz HBCKQDJNNYSOKP-CDLYNWKESA-N 1 0 434.580 5.042 40 0 IKABRO COc1ccc(C[NH+]2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)cc1 ZINC000096100013 557169290 /nfs/dbraw/zinc/16/92/90/557169290.db2.gz UIVCYMJJEWZLRF-UHFFFAOYSA-N 1 0 441.579 5.462 40 0 IKABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)s1 ZINC000096100011 557169459 /nfs/dbraw/zinc/16/94/59/557169459.db2.gz HXKLSGCIWZKUCW-UHFFFAOYSA-N 1 0 431.609 5.824 40 0 IKABRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534852 557169901 /nfs/dbraw/zinc/16/99/01/557169901.db2.gz CYCORSHQQJETLP-GWKODMSMSA-N 1 0 427.991 6.753 40 0 IKABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000008832657 557177725 /nfs/dbraw/zinc/17/77/25/557177725.db2.gz LFEKQGPSJIKDQO-UHFFFAOYSA-N 1 0 444.362 5.648 40 0 IKABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCC[C@H]1Oc1ccc(F)cc1Oc1cccc(F)c1 ZINC000585263537 557204038 /nfs/dbraw/zinc/20/40/38/557204038.db2.gz OIKSLFVHZCTZEW-GZGNHOFSSA-N 1 0 425.475 5.208 40 0 IKABRO C[C@H]1C[C@H](C)C[NH+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740268 557257453 /nfs/dbraw/zinc/25/74/53/557257453.db2.gz MWBRWQVMOTXTMX-OALUTQOASA-N 1 0 430.983 6.219 40 0 IKABRO COc1ccc2c(c1)N[C@@]1(CCC[N@H+](CCCC(=O)c3ccc(Cl)cc3)C1)c1cccn1-2 ZINC000057719869 557259233 /nfs/dbraw/zinc/25/92/33/557259233.db2.gz JGYUSFPHOWZCBM-AREMUKBSSA-N 1 0 449.982 5.519 40 0 IKABRO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774793 557264290 /nfs/dbraw/zinc/26/42/90/557264290.db2.gz MUQTZNFKVHLTEF-PGRDOPGGSA-N 1 0 448.438 6.037 40 0 IKABRO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774852 557264333 /nfs/dbraw/zinc/26/43/33/557264333.db2.gz PTWPLXVMNNTQFN-GMAHTHKFSA-N 1 0 428.020 5.773 40 0 IKABRO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960845 557272291 /nfs/dbraw/zinc/27/22/91/557272291.db2.gz FSJQUFWWKRJGJX-UHFFFAOYSA-N 1 0 440.631 6.825 40 0 IKABRO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022920637 557273178 /nfs/dbraw/zinc/27/31/78/557273178.db2.gz IHLPSSABOMNBIL-HSZRJFAPSA-N 1 0 449.598 5.574 40 0 IKABRO Cc1ccccc1OCc1n(C)c2ccccc2[n+]1CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000013305173 557309222 /nfs/dbraw/zinc/30/92/22/557309222.db2.gz OHZBSGJYECCCNY-MZEQIWSPSA-N 1 0 449.615 5.357 40 0 IKABRO Cc1ccc2cc(C[N@@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498515 557328152 /nfs/dbraw/zinc/32/81/52/557328152.db2.gz JCZWISKIPZMNGV-DEOSSOPVSA-N 1 0 448.615 5.080 40 0 IKABRO Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]Cc4cccs4)cc23)cc1 ZINC000013564699 557341038 /nfs/dbraw/zinc/34/10/38/557341038.db2.gz VFCRONAERGLHBK-UHFFFAOYSA-N 1 0 426.545 5.041 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215829 557342611 /nfs/dbraw/zinc/34/26/11/557342611.db2.gz CWJXYEYEQVDLGL-RUZDIDTESA-N 1 0 443.591 6.882 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215708 557342651 /nfs/dbraw/zinc/34/26/51/557342651.db2.gz CIKQRGSXVBJQNZ-VWLOTQADSA-N 1 0 449.639 6.883 40 0 IKABRO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)[N@@H+]2Cc1ccccc1 ZINC000013563493 557353727 /nfs/dbraw/zinc/35/37/27/557353727.db2.gz YMAUOWKZFNZVSE-TVPUMLRDSA-N 1 0 433.573 5.503 40 0 IKABRO O=C(NCc1ccccc1Cl)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958343 557381719 /nfs/dbraw/zinc/38/17/19/557381719.db2.gz JAQVHQAVLHDGDG-UHFFFAOYSA-N 1 0 432.995 5.725 40 0 IKABRO CSc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958475 557381788 /nfs/dbraw/zinc/38/17/88/557381788.db2.gz QTLPAODQSOKBQP-UHFFFAOYSA-N 1 0 430.617 6.116 40 0 IKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000113958910 557381988 /nfs/dbraw/zinc/38/19/88/557381988.db2.gz FOROABYTDVLMHS-NRFANRHFSA-N 1 0 430.567 5.771 40 0 IKABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958853 557382006 /nfs/dbraw/zinc/38/20/06/557382006.db2.gz MEWSBGJRCCCMBF-JOCHJYFZSA-N 1 0 442.603 5.641 40 0 IKABRO O=C(NCc1cccc2ccccc21)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000222880156 557397224 /nfs/dbraw/zinc/39/72/24/557397224.db2.gz XTVOLDBTDDRGEQ-UHFFFAOYSA-N 1 0 448.610 6.225 40 0 IKABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 ZINC000013998236 557402572 /nfs/dbraw/zinc/40/25/72/557402572.db2.gz MHTQWLGQZQJDEI-RRPNLBNLSA-N 1 0 439.555 5.377 40 0 IKABRO 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 557405758 /nfs/dbraw/zinc/40/57/58/557405758.db2.gz GRMUAQMHJKQVFL-OQJVWNQQSA-N 1 0 427.673 5.629 40 0 IKABRO Oc1ccccc1/C=C/c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1 ZINC000025694460 557410102 /nfs/dbraw/zinc/41/01/02/557410102.db2.gz OKJYKDQIGPYCKE-OBGWFSINSA-O 1 0 427.523 8.438 40 0 IKABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000223123474 557434836 /nfs/dbraw/zinc/43/48/36/557434836.db2.gz XFEFREDSUKETQO-NOZRDPDXSA-N 1 0 425.016 5.698 40 0 IKABRO COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C(C)C ZINC000223367649 557463479 /nfs/dbraw/zinc/46/34/79/557463479.db2.gz NLTIXJDTXBSUFV-TZIWHRDSSA-N 1 0 443.031 5.870 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C(C)C ZINC000223367709 557463551 /nfs/dbraw/zinc/46/35/51/557463551.db2.gz NLTIXJDTXBSUFV-PZJWPPBQSA-N 1 0 443.031 5.870 40 0 IKABRO COCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016194390 557470620 /nfs/dbraw/zinc/47/06/20/557470620.db2.gz VERLCSFLDAWPSG-UHFFFAOYSA-N 1 0 449.172 5.080 40 0 IKABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NCC(=O)N1c3ccccc3Sc3ccc(C(F)(F)F)cc31)C2 ZINC000016248968 557471451 /nfs/dbraw/zinc/47/14/51/557471451.db2.gz ZQTWIVCZRWGKNL-ALOPSCKCSA-N 1 0 447.526 5.050 40 0 IKABRO C[C@H]([NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000016576105 557474377 /nfs/dbraw/zinc/47/43/77/557474377.db2.gz AMAODTFJDJIGFK-JXBUFBJBSA-N 1 0 443.606 7.252 40 0 IKABRO CC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000016681757 557475164 /nfs/dbraw/zinc/47/51/64/557475164.db2.gz RXCIOKQWXULEBL-UHFFFAOYSA-N 1 0 433.173 5.843 40 0 IKABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 ZINC000017096778 557477715 /nfs/dbraw/zinc/47/77/15/557477715.db2.gz OBMNYDAKKMFGMT-UHFFFAOYSA-N 1 0 430.335 5.258 40 0 IKABRO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000017097755 557479768 /nfs/dbraw/zinc/47/97/68/557479768.db2.gz MILXOVQCVIVBDC-OVCLIPMQSA-N 1 0 431.967 5.314 40 0 IKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC([NH+]5CCCC5)=CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923597 557494543 /nfs/dbraw/zinc/49/45/43/557494543.db2.gz RGRNUVRIJBGXEL-JGTKDNRBSA-N 1 0 439.772 8.697 40 0 IKABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000223648780 557496950 /nfs/dbraw/zinc/49/69/50/557496950.db2.gz QZMIJHSSEHAXIA-UHFFFAOYSA-N 1 0 426.973 5.487 40 0 IKABRO CC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000020241891 557519426 /nfs/dbraw/zinc/51/94/26/557519426.db2.gz SLVTXFAZAHXRGO-UHFFFAOYSA-N 1 0 426.604 6.517 40 0 IKABRO CCCCC[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099982 557531165 /nfs/dbraw/zinc/53/11/65/557531165.db2.gz INXGAHHQCIHNOR-ZHTHUIBPSA-N 1 0 443.631 6.897 40 0 IKABRO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000004144002 557531341 /nfs/dbraw/zinc/53/13/41/557531341.db2.gz BTUTYNXWDXRDAN-WHTOPFKPSA-N 1 0 431.576 5.335 40 0 IKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)c(C)c1 ZINC000224066645 557554475 /nfs/dbraw/zinc/55/44/75/557554475.db2.gz LYSIHNLEWZUBKE-AREMUKBSSA-N 1 0 428.576 5.443 40 0 IKABRO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)s2)cc1 ZINC000224163831 557569160 /nfs/dbraw/zinc/56/91/60/557569160.db2.gz STBJKGIJOSPNEB-UHFFFAOYSA-N 1 0 426.973 5.018 40 0 IKABRO Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1C ZINC000224260054 557582085 /nfs/dbraw/zinc/58/20/85/557582085.db2.gz GIILFJAXNVQRPR-DNQXCXABSA-N 1 0 425.561 5.061 40 0 IKABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1c1ccc(Cl)cc1 ZINC000224457059 557608363 /nfs/dbraw/zinc/60/83/63/557608363.db2.gz CTVKSMXDDASFJZ-YADHBBJMSA-N 1 0 431.952 5.098 40 0 IKABRO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000224570563 557625373 /nfs/dbraw/zinc/62/53/73/557625373.db2.gz DKWMKPHRRXQCPW-HSZRJFAPSA-N 1 0 440.631 6.195 40 0 IKABRO COc1ccc(/C=C(/C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc2)cc1 ZINC000224591877 557628289 /nfs/dbraw/zinc/62/82/89/557628289.db2.gz HTCQDKLQLMCGFJ-ZXVVBBHZSA-N 1 0 426.560 5.148 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224782416 557650962 /nfs/dbraw/zinc/65/09/62/557650962.db2.gz ZWHKLAXRRQNGFT-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO COc1ccc(/C=C(/C(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000224807358 557653588 /nfs/dbraw/zinc/65/35/88/557653588.db2.gz XFAACQASRHZGOB-VFCFBJKWSA-N 1 0 440.587 5.538 40 0 IKABRO O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000224940252 557669419 /nfs/dbraw/zinc/66/94/19/557669419.db2.gz YWYSLHGQPGIGOV-UHFFFAOYSA-N 1 0 425.576 5.488 40 0 IKABRO CC(C)n1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)ccc21 ZINC000225166137 557695061 /nfs/dbraw/zinc/69/50/61/557695061.db2.gz IPEWLCIWZWSEND-UHFFFAOYSA-N 1 0 444.000 5.148 40 0 IKABRO CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000225174848 557696328 /nfs/dbraw/zinc/69/63/28/557696328.db2.gz UFHSYTSSRRAVJV-KRWDZBQOSA-N 1 0 444.000 5.148 40 0 IKABRO Cc1nc(-c2cccc(NC(=S)NCCNc3cc(C)[nH+]c4ccc(C)cc34)c2)cs1 ZINC000225218745 557701515 /nfs/dbraw/zinc/70/15/15/557701515.db2.gz BZPRCXUGIMWQJZ-UHFFFAOYSA-N 1 0 447.633 5.682 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)CCCC2)c1 ZINC000225509903 557732445 /nfs/dbraw/zinc/73/24/45/557732445.db2.gz ZZPBBOGTQSGTDK-DHIUTWEWSA-N 1 0 434.624 5.802 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCCC2)cc1 ZINC000225512919 557732902 /nfs/dbraw/zinc/73/29/02/557732902.db2.gz ULIBBUFZYMCXHC-ZRZAMGCNSA-N 1 0 434.624 5.802 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@@H]4C)cc3)CCCC2)cc1 ZINC000225513422 557733021 /nfs/dbraw/zinc/73/30/21/557733021.db2.gz JLEYBZUFSTXSKC-QHCPKHFHSA-N 1 0 434.624 6.089 40 0 IKABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520810 557734877 /nfs/dbraw/zinc/73/48/77/557734877.db2.gz OTROXXSJYKAGSL-NRFANRHFSA-N 1 0 438.587 5.777 40 0 IKABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)C1 ZINC000225523086 557735336 /nfs/dbraw/zinc/73/53/36/557735336.db2.gz DMXWAJATHBWBCZ-FQEVSTJZSA-N 1 0 441.015 5.901 40 0 IKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225526456 557736424 /nfs/dbraw/zinc/73/64/24/557736424.db2.gz WIVSEGFFQSIUGU-UHFFFAOYSA-N 1 0 429.004 5.901 40 0 IKABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225529298 557737151 /nfs/dbraw/zinc/73/71/51/557737151.db2.gz UJSHBJQLCRMNKS-UHFFFAOYSA-N 1 0 435.395 5.774 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCCC4)cc3)CCCC2)cc1 ZINC000225531924 557737553 /nfs/dbraw/zinc/73/75/53/557737553.db2.gz HECUJOPOWHOSAP-UHFFFAOYSA-N 1 0 436.596 5.401 40 0 IKABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534728 557737973 /nfs/dbraw/zinc/73/79/73/557737973.db2.gz ZIDYAOMGDXSQIO-QHCPKHFHSA-N 1 0 434.624 6.028 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)CCCCC2)cc1 ZINC000225542479 557739210 /nfs/dbraw/zinc/73/92/10/557739210.db2.gz VHWFFEJZKAJDRV-DNQXCXABSA-N 1 0 448.651 6.192 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)cc1 ZINC000225542812 557739265 /nfs/dbraw/zinc/73/92/65/557739265.db2.gz WSGCRJWGYRXMOW-XMMPIXPASA-N 1 0 448.651 6.336 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)CCCCC2)cc1 ZINC000225542506 557739285 /nfs/dbraw/zinc/73/92/85/557739285.db2.gz VHWFFEJZKAJDRV-ZEQRLZLVSA-N 1 0 448.651 6.192 40 0 IKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225550626 557740829 /nfs/dbraw/zinc/74/08/29/557740829.db2.gz RWIZUBFVPAZBHF-UHFFFAOYSA-N 1 0 429.004 5.901 40 0 IKABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225581932 557746721 /nfs/dbraw/zinc/74/67/21/557746721.db2.gz HHOIOVVDSOUGFQ-QFIPXVFZSA-N 1 0 427.683 5.920 40 0 IKABRO CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225585825 557747652 /nfs/dbraw/zinc/74/76/52/557747652.db2.gz XWWILFVVUPAAEF-UHFFFAOYSA-N 1 0 446.994 5.227 40 0 IKABRO CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225585794 557747671 /nfs/dbraw/zinc/74/76/71/557747671.db2.gz ZKSYUIPVLSPSBX-UHFFFAOYSA-N 1 0 446.994 5.227 40 0 IKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225652050 557757254 /nfs/dbraw/zinc/75/72/54/557757254.db2.gz AVVRMCJSCIGUMF-ATIYNZHBSA-N 1 0 432.649 5.892 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCCCC1 ZINC000225659769 557758449 /nfs/dbraw/zinc/75/84/49/557758449.db2.gz OTTJFPLCKOVEIG-UHFFFAOYSA-N 1 0 430.633 5.646 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225664367 557759079 /nfs/dbraw/zinc/75/90/79/557759079.db2.gz XUAOYKPJHRETSU-TVZXLZGTSA-N 1 0 430.633 5.644 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225664422 557759156 /nfs/dbraw/zinc/75/91/56/557759156.db2.gz JRHCBICLQWPNQT-ATIYNZHBSA-N 1 0 430.633 5.646 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225668776 557760131 /nfs/dbraw/zinc/76/01/31/557760131.db2.gz OWQHHEIRQBTDMK-IEBRLRAKSA-N 1 0 430.633 5.357 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225696087 557765572 /nfs/dbraw/zinc/76/55/72/557765572.db2.gz SSWPMWCNPMPNGS-UHFFFAOYSA-N 1 0 432.649 5.603 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225742130 557771543 /nfs/dbraw/zinc/77/15/43/557771543.db2.gz DLMYSAMEYKVPMB-UHFFFAOYSA-N 1 0 446.676 5.993 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225742495 557771592 /nfs/dbraw/zinc/77/15/92/557771592.db2.gz RFBPUOZYPCWWMB-UHFFFAOYSA-N 1 0 446.676 6.138 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225742212 557771622 /nfs/dbraw/zinc/77/16/22/557771622.db2.gz IWZFSFOKYKEARI-QHCPKHFHSA-N 1 0 446.676 6.136 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225742335 557771627 /nfs/dbraw/zinc/77/16/27/557771627.db2.gz GWHHKHBXVOCLDE-UHFFFAOYSA-N 1 0 446.676 6.138 40 0 IKABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000225881214 557788477 /nfs/dbraw/zinc/78/84/77/557788477.db2.gz OTBZZUAFVAVRDD-UHFFFAOYSA-N 1 0 447.391 5.363 40 0 IKABRO CCCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000059108645 557820283 /nfs/dbraw/zinc/82/02/83/557820283.db2.gz KOZCEZUWXPTOAH-UHFFFAOYSA-N 1 0 443.591 5.440 40 0 IKABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4OC)C=C3C)nc2c1 ZINC000077262132 560046696 /nfs/dbraw/zinc/04/66/96/560046696.db2.gz NRBLWIPDRUXFJZ-FIXSFTCYSA-N 1 0 447.623 5.767 40 0 biogenic,in-vitro IKABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH+](Cc2ccccc2)Cc2ccccc2)OC3)cc1 ZINC000096269296 560054241 /nfs/dbraw/zinc/05/42/41/560054241.db2.gz PASSIWRXIUORIO-VWLOTQADSA-N 1 0 427.523 5.290 40 0 biogenic,in-vitro IKABRO CC1=C[C@@H](C[NH2+]Cc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883468 560089707 /nfs/dbraw/zinc/08/97/07/560089707.db2.gz KTFYHSPKPJAARM-JTAQYXEDSA-N 1 0 434.559 5.458 40 0 biogenic,in-vitro IKABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccccc3C)CC2)sc1CCOc1ccccc1 ZINC000019738684 568752582 /nfs/dbraw/zinc/75/25/82/568752582.db2.gz GQVVCNVFICLATI-AREMUKBSSA-N 1 0 436.621 5.255 40 0 IKABRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002762495 568859467 /nfs/dbraw/zinc/85/94/67/568859467.db2.gz XKSWRUYYSKZLQA-AOYPEHQESA-N 1 0 446.978 5.676 40 0 IKABRO O=C(c1cc2ccccc2cc1O)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100290 568872760 /nfs/dbraw/zinc/87/27/60/568872760.db2.gz JRYBAIHCWKNXPX-MHZLTWQESA-N 1 0 432.539 5.345 40 0 IKABRO O=C(c1cc2ccccc2cc1O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100286 568872776 /nfs/dbraw/zinc/87/27/76/568872776.db2.gz JRYBAIHCWKNXPX-HHHXNRCGSA-N 1 0 432.539 5.345 40 0 IKABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000585166474 568872871 /nfs/dbraw/zinc/87/28/71/568872871.db2.gz TYFZEYMZLRUKCM-QHCPKHFHSA-N 1 0 441.619 5.313 40 0 IKABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000585166183 568872982 /nfs/dbraw/zinc/87/29/82/568872982.db2.gz NRQCZAVCTVUCSD-HSZRJFAPSA-N 1 0 441.619 5.313 40 0 IKABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1CO ZINC000585176615 568873098 /nfs/dbraw/zinc/87/30/98/568873098.db2.gz VFIQRKOKWCNGDI-HSZRJFAPSA-N 1 0 434.555 5.082 40 0 IKABRO COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000585169108 568873267 /nfs/dbraw/zinc/87/32/67/568873267.db2.gz HHQQPADRUDDTJI-DPZBCOQUSA-N 1 0 448.557 5.464 40 0 IKABRO CC[NH+](CC)CCOc1ccc([C@@H]2OC[C@@H](c3cccc(Cl)c3)C[C@H]2C(C)C)cc1 ZINC000585292469 568874724 /nfs/dbraw/zinc/87/47/24/568874724.db2.gz NDRGBUILCXWBMK-HRNNMHKYSA-N 1 0 430.032 6.578 40 0 IKABRO CN(C)c1nc2ccccc2cc1CN(Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992710 568905257 /nfs/dbraw/zinc/90/52/57/568905257.db2.gz ZDYPEHUEOWYEDW-UHFFFAOYSA-N 1 0 431.628 5.007 40 0 IKABRO COc1ccc2c(c1)NC1(CC[NH+](CCCC(=O)c3ccc(C)c(C)c3)CC1)c1cccn1-2 ZINC000057719447 568909131 /nfs/dbraw/zinc/90/91/31/568909131.db2.gz CDAOSMUFXIDEBT-UHFFFAOYSA-N 1 0 443.591 5.482 40 0 IKABRO COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000002546484 569097371 /nfs/dbraw/zinc/09/73/71/569097371.db2.gz VSYMACQIDUJEMB-DEOSSOPVSA-N 1 0 434.605 6.201 40 0 IKABRO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000002546391 569097385 /nfs/dbraw/zinc/09/73/85/569097385.db2.gz DBZPIAHPFCUAOO-RUZDIDTESA-N 1 0 448.632 6.591 40 0 IKABRO COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000002546479 569097514 /nfs/dbraw/zinc/09/75/14/569097514.db2.gz LXOIWOFNGLBLAG-VWLOTQADSA-N 1 0 448.632 6.447 40 0 IKABRO CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000002551823 569098021 /nfs/dbraw/zinc/09/80/21/569098021.db2.gz AJIBXAQCZZSLDK-RUZDIDTESA-N 1 0 448.632 6.537 40 0 IKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063299 569219770 /nfs/dbraw/zinc/21/97/70/569219770.db2.gz BHRGPYXDCGIJFG-UHFFFAOYSA-N 1 0 434.967 5.770 40 0 IKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000009062972 569219775 /nfs/dbraw/zinc/21/97/75/569219775.db2.gz NVHSHFUFPRPUAP-UHFFFAOYSA-N 1 0 446.978 5.730 40 0 IKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063490 569219937 /nfs/dbraw/zinc/21/99/37/569219937.db2.gz WWYVOBKTCDULLT-UHFFFAOYSA-N 1 0 448.607 6.277 40 0 IKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063400 569220036 /nfs/dbraw/zinc/22/00/36/569220036.db2.gz ZWSPDUVEVFSYNW-UHFFFAOYSA-N 1 0 434.967 5.770 40 0 IKABRO C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000010367150 569224022 /nfs/dbraw/zinc/22/40/22/569224022.db2.gz QWDCNSUESRNJFZ-FQEVSTJZSA-N 1 0 427.548 5.026 40 0 IKABRO C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000010367157 569224028 /nfs/dbraw/zinc/22/40/28/569224028.db2.gz QWDCNSUESRNJFZ-HXUWFJFHSA-N 1 0 427.548 5.026 40 0 IKABRO CCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000019532465 569226772 /nfs/dbraw/zinc/22/67/72/569226772.db2.gz HPMDLLFMLUYPQP-ATIYNZHBSA-N 1 0 449.639 5.085 40 0 IKABRO COc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000019563989 569226943 /nfs/dbraw/zinc/22/69/43/569226943.db2.gz VNGZSACNXGYWPK-RPLLCQBOSA-N 1 0 443.591 5.113 40 0 IKABRO COc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000019563986 569226947 /nfs/dbraw/zinc/22/69/47/569226947.db2.gz VNGZSACNXGYWPK-SHQCIBLASA-N 1 0 443.591 5.113 40 0 IKABRO CC(C)COc1ccccc1C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702531 569232076 /nfs/dbraw/zinc/23/20/76/569232076.db2.gz NGUZYUPIUPVIQS-IBGZPJMESA-N 1 0 437.609 5.022 40 0 IKABRO CC(C)n1cc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000019702599 569232176 /nfs/dbraw/zinc/23/21/76/569232176.db2.gz MRKXAGANNUEXDG-HNNXBMFYSA-N 1 0 436.556 5.059 40 0 IKABRO Cc1nc([C@]2(O)CCC[N@@H+](C3CCCCC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705245 569234096 /nfs/dbraw/zinc/23/40/96/569234096.db2.gz SQORXFUQXZIXAV-QHCPKHFHSA-N 1 0 436.568 5.315 40 0 IKABRO COc1ccc(OCCc2sc([C@@]3(O)CCC[N@@H+](C4CCCCC4)CC3)nc2C)cc1 ZINC000019705422 569234271 /nfs/dbraw/zinc/23/42/71/569234271.db2.gz RTUBZMWOSXXHED-RUZDIDTESA-N 1 0 444.641 5.088 40 0 IKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cc(C4CC4)nn3C)cc2)C1 ZINC000019711776 569234944 /nfs/dbraw/zinc/23/49/44/569234944.db2.gz YZNUZGNPHFCBBW-SDUSCBPUSA-N 1 0 438.616 5.136 40 0 IKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cc(C(C)C)[nH]n3)cc2)C1 ZINC000019711766 569234958 /nfs/dbraw/zinc/23/49/58/569234958.db2.gz GEAFTRYXOONBCS-HUVFLSCGSA-N 1 0 426.605 5.372 40 0 IKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)C1 ZINC000019711872 569235095 /nfs/dbraw/zinc/23/50/95/569235095.db2.gz QICJFQQTOIMQLP-RCXJIHSJSA-N 1 0 448.611 5.262 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713384 569235566 /nfs/dbraw/zinc/23/55/66/569235566.db2.gz ZLYUXQLBMUDZOH-AOYPEHQESA-N 1 0 440.607 5.156 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044855328 569249193 /nfs/dbraw/zinc/24/91/93/569249193.db2.gz OAAGBHZUELTVFN-SIKLNZKXSA-N 1 0 426.988 5.279 40 0 IKABRO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1cccs1)[N@@H+]2Cc1ccccc1 ZINC000245227912 569269470 /nfs/dbraw/zinc/26/94/70/569269470.db2.gz YMAUOWKZFNZVSE-AXJZPPOTSA-N 1 0 433.573 5.503 40 0 IKABRO O[C@H](CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3)C[NH+]1CCCCC1 ZINC000247801665 569269970 /nfs/dbraw/zinc/26/99/70/569269970.db2.gz WEOJIUMBVVUGJJ-WNCULLNHSA-N 1 0 435.656 5.229 40 0 IKABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCC[N@@H+]3C[C@H]3CCOC3)nn21 ZINC000247695708 569270060 /nfs/dbraw/zinc/27/00/60/569270060.db2.gz ZZEZIEAAAHYMJO-PBHICJAKSA-N 1 0 436.503 5.040 40 0 IKABRO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198820 569275512 /nfs/dbraw/zinc/27/55/12/569275512.db2.gz JBYMGGHUFOKKPL-WBADGQHESA-N 1 0 433.621 5.154 40 0 IKABRO Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)c3cc4cc(F)ccc4n3C)CC2)[nH+]1 ZINC000257208125 569275925 /nfs/dbraw/zinc/27/59/25/569275925.db2.gz BKWKNWIAPUKSFL-UHFFFAOYSA-N 1 0 443.526 5.179 40 0 IKABRO COc1ccc2c(C[NH+]3CCC(c4ccc(Cc5ccc(F)cc5)cn4)CC3)cn(C)c2c1 ZINC000257214656 569275985 /nfs/dbraw/zinc/27/59/85/569275985.db2.gz CMWMVSCLCAMFSL-UHFFFAOYSA-N 1 0 443.566 5.691 40 0 IKABRO Cc1nc(Nc2cc(C)nc([C@H]3CN(Cc4cccc5ncccc45)CCO3)c2)sc1C ZINC000257217227 569276042 /nfs/dbraw/zinc/27/60/42/569276042.db2.gz CYCXNFBUBHWUKP-XMMPIXPASA-N 1 0 445.592 5.329 40 0 IKABRO CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1 ZINC000257218492 569276143 /nfs/dbraw/zinc/27/61/43/569276143.db2.gz DDIKWIPIDLARMW-UHFFFAOYSA-N 1 0 440.672 6.037 40 0 IKABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1Cl ZINC000257218740 569276210 /nfs/dbraw/zinc/27/62/10/569276210.db2.gz DEGQIRXEAKXHTQ-JCYYIGJDSA-N 1 0 449.038 5.804 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2cccnc2)CC1 ZINC000257217927 569276229 /nfs/dbraw/zinc/27/62/29/569276229.db2.gz DBDKQIAVNKSJJY-UHFFFAOYSA-N 1 0 433.621 5.160 40 0 IKABRO CCc1cccc(C)c1NC(=O)CN1CCC(c2ccnc(Nc3ccc(F)cn3)c2)CC1 ZINC000257229818 569276509 /nfs/dbraw/zinc/27/65/09/569276509.db2.gz FZOQTSXCMUUGAP-UHFFFAOYSA-N 1 0 447.558 5.048 40 0 IKABRO Cc1c2ccccc2oc1C(=O)N1CCO[C@H](c2cc(Nc3cccc(C)n3)cc(C)n2)C1 ZINC000257242908 569276872 /nfs/dbraw/zinc/27/68/72/569276872.db2.gz IERHTSVFGPLVSF-QHCPKHFHSA-N 1 0 442.519 5.105 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)c2ccc(F)cc21 ZINC000257240494 569276898 /nfs/dbraw/zinc/27/68/98/569276898.db2.gz HTTBTFYFFDGAFA-SANMLTNESA-N 1 0 431.530 6.262 40 0 IKABRO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cc5c(cccc5C)[nH]4)C3)c2)s1 ZINC000257255058 569277256 /nfs/dbraw/zinc/27/72/56/569277256.db2.gz KFXXQUCMFKXVIF-GOSISDBHSA-N 1 0 445.592 5.708 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000257274545 569277661 /nfs/dbraw/zinc/27/76/61/569277661.db2.gz NLMUTVLTAVWWTC-UHFFFAOYSA-N 1 0 447.648 5.470 40 0 IKABRO COc1cc(C)c(C[NH+]2CCC(c3ccc(-c4cccc(C(N)=O)c4)cn3)CC2)c(C)c1C ZINC000257276868 569277833 /nfs/dbraw/zinc/27/78/33/569277833.db2.gz NVLKASABESVMEN-UHFFFAOYSA-N 1 0 443.591 5.161 40 0 IKABRO Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)n2)s1 ZINC000257281622 569277980 /nfs/dbraw/zinc/27/79/80/569277980.db2.gz OQDXAIXSRJFMAO-LJQANCHMSA-N 1 0 439.629 5.121 40 0 IKABRO Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)[nH+]1 ZINC000257280925 569278003 /nfs/dbraw/zinc/27/80/03/569278003.db2.gz OMZFMRYJDDMHLS-UHFFFAOYSA-N 1 0 439.563 5.349 40 0 IKABRO CC(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257282694 569278007 /nfs/dbraw/zinc/27/80/07/569278007.db2.gz OUVMWSQKYRUXQB-XMSQKQJNSA-N 1 0 434.411 5.647 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH2+]Cc2cnc(C(C)C)nc2)CC1 ZINC000257286363 569278068 /nfs/dbraw/zinc/27/80/68/569278068.db2.gz PLGZKVPBQIMWGI-UAPYVXQJSA-N 1 0 436.625 5.238 40 0 IKABRO CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000257285751 569278108 /nfs/dbraw/zinc/27/81/08/569278108.db2.gz PIQIYXUUNNBZHP-UHFFFAOYSA-N 1 0 448.010 5.315 40 0 IKABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)no1 ZINC000257286183 569278112 /nfs/dbraw/zinc/27/81/12/569278112.db2.gz PKQFCRNCZRHSLT-XMMPIXPASA-N 1 0 443.591 5.784 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000257288918 569278130 /nfs/dbraw/zinc/27/81/30/569278130.db2.gz PWFRPDCTMGRKLX-UHFFFAOYSA-N 1 0 445.582 5.237 40 0 IKABRO COc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257289902 569278247 /nfs/dbraw/zinc/27/82/47/569278247.db2.gz QASIACMOVUWETM-RBJSKKJNSA-N 1 0 444.550 5.140 40 0 IKABRO CC(C)n1cc(CN2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc21 ZINC000257297228 569278345 /nfs/dbraw/zinc/27/83/45/569278345.db2.gz RGKSPXQHFLTNSB-NRFANRHFSA-N 1 0 433.577 5.109 40 0 IKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+](Cc4cn(C)c5ccc(F)cc45)C3)nc2)c1 ZINC000257296207 569278414 /nfs/dbraw/zinc/27/84/14/569278414.db2.gz RBSBXPPBZSSJIS-JOCHJYFZSA-N 1 0 443.566 5.691 40 0 IKABRO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)C[C@]12CCCCC(=O)N2 ZINC000257302953 569278463 /nfs/dbraw/zinc/27/84/63/569278463.db2.gz SFDBSIXIKAFMIL-LITSAYRRSA-N 1 0 440.587 5.391 40 0 IKABRO COc1ccccc1-c1cccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)c1 ZINC000257304744 569278686 /nfs/dbraw/zinc/27/86/86/569278686.db2.gz SMZNWSMDAAEBIH-RBJSKKJNSA-N 1 0 444.550 5.140 40 0 IKABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)c1 ZINC000257307260 569278733 /nfs/dbraw/zinc/27/87/33/569278733.db2.gz SXXDHPAIEAISST-NRFANRHFSA-N 1 0 438.531 5.320 40 0 IKABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000257314954 569278985 /nfs/dbraw/zinc/27/89/85/569278985.db2.gz UZGUXJWZTDQMON-QAQDUYKDSA-N 1 0 430.577 5.007 40 0 IKABRO Cc1c(C(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)oc2c1C(=O)CCC2 ZINC000257317226 569279085 /nfs/dbraw/zinc/27/90/85/569279085.db2.gz VIWVPCYLEQKLLS-KRWDZBQOSA-N 1 0 447.510 5.323 40 0 IKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+](Cc4c(C)cc(OC)c(C)c4C)C3)nc2)c1 ZINC000257318907 569279095 /nfs/dbraw/zinc/27/90/95/569279095.db2.gz VPXOIXCFAGBJCL-RUZDIDTESA-N 1 0 444.619 5.994 40 0 IKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cc1 ZINC000257320296 569279097 /nfs/dbraw/zinc/27/90/97/569279097.db2.gz VWCNGAHCFKDSLR-FQEVSTJZSA-N 1 0 435.597 5.237 40 0 IKABRO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322225 569279322 /nfs/dbraw/zinc/27/93/22/569279322.db2.gz WFCJOGZGQRLQQN-SIKLNZKXSA-N 1 0 431.983 5.522 40 0 IKABRO CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000257329130 569279431 /nfs/dbraw/zinc/27/94/31/569279431.db2.gz XIQBOZNKLUWNIS-OAQYLSRUSA-N 1 0 445.007 5.202 40 0 IKABRO COc1ccccc1-c1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCC(=O)N3)c1 ZINC000257324937 569279439 /nfs/dbraw/zinc/27/94/39/569279439.db2.gz WQUXGUYNEMUDFZ-LBNVMWSVSA-N 1 0 444.550 5.140 40 0 IKABRO Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)n2)n1 ZINC000257332089 569279518 /nfs/dbraw/zinc/27/95/18/569279518.db2.gz XVRWJYVTLJSVQM-NRFANRHFSA-N 1 0 433.600 5.059 40 0 IKABRO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000257332745 569279552 /nfs/dbraw/zinc/27/95/52/569279552.db2.gz XYMLOJHRWYZXQU-HXUWFJFHSA-N 1 0 429.589 5.577 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@H]4C)cc3)CCCC2)cc1 ZINC000260812320 569281709 /nfs/dbraw/zinc/28/17/09/569281709.db2.gz AKTIBDRJIIRAAU-OAQYLSRUSA-N 1 0 436.596 5.399 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816918 569281792 /nfs/dbraw/zinc/28/17/92/569281792.db2.gz SBIZTRCUQCYSGO-QFIPXVFZSA-N 1 0 432.649 5.603 40 0 IKABRO CCC1(CC)C[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000260843355 569281825 /nfs/dbraw/zinc/28/18/25/569281825.db2.gz QSSYGAMKRJMJQA-NZQKXSOJSA-N 1 0 441.015 5.751 40 0 IKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260818242 569281833 /nfs/dbraw/zinc/28/18/33/569281833.db2.gz ZNVFSKBQPGMAOA-JOCHJYFZSA-N 1 0 432.649 5.746 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260818207 569281858 /nfs/dbraw/zinc/28/18/58/569281858.db2.gz XUAOYKPJHRETSU-AOJNWGRGSA-N 1 0 430.633 5.644 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816729 569281936 /nfs/dbraw/zinc/28/19/36/569281936.db2.gz OVVGELCHHFCKGD-HSZRJFAPSA-N 1 0 446.676 6.136 40 0 IKABRO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000260833525 569281943 /nfs/dbraw/zinc/28/19/43/569281943.db2.gz XQWZMEHORIKUKF-RDJZCZTQSA-N 1 0 447.804 5.292 40 0 IKABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000009087755 569293628 /nfs/dbraw/zinc/29/36/28/569293628.db2.gz KYVWHOUGNSMFTK-WIRXVTQYSA-N 1 0 444.575 5.155 40 0 IKABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000009185324 569294132 /nfs/dbraw/zinc/29/41/32/569294132.db2.gz KYVWHOUGNSMFTK-KGPYPHOUSA-N 1 0 444.575 5.155 40 0 IKABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cc2)C1 ZINC000019711824 569327683 /nfs/dbraw/zinc/32/76/83/569327683.db2.gz SPKIRFIKNVWAQS-RPWUZVMVSA-N 1 0 445.567 5.034 40 0 IKABRO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328984847 569583454 /nfs/dbraw/zinc/58/34/54/569583454.db2.gz HPFFXMLEZRBBLB-UHFFFAOYSA-N 1 0 434.506 5.806 40 0 IKABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)Cc2c[nH]c3cccc1c23 ZINC000049171435 291397079 /nfs/dbraw/zinc/39/70/79/291397079.db2.gz BZNPQJLJARDKRA-SFTDATJTSA-N 1 0 429.486 5.105 40 0 biogenic,in-vitro IKABRO CCCCC[NH+](CCCCC)CCCCCCCCCCN1CCCc2ccccc21 ZINC000004366813 132271773 /nfs/dbraw/zinc/27/17/73/132271773.db2.gz MPWWHCUQGPDQNO-UHFFFAOYSA-N 1 0 428.749 8.242 40 0 IKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000016480538 518214639 /nfs/dbraw/zinc/21/46/39/518214639.db2.gz YMUHGEBFPSBCDE-UHFFFAOYSA-N 1 0 435.365 5.842 40 0 IKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022076264 518629013 /nfs/dbraw/zinc/62/90/13/518629013.db2.gz ZCAQRSIHKBCTMJ-UHFFFAOYSA-N 1 0 438.837 6.986 40 0 IKABRO CCCC[NH+](CCCC)Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 ZINC000016638733 520495817 /nfs/dbraw/zinc/49/58/17/520495817.db2.gz JEFVTZPTVFMLGI-UHFFFAOYSA-N 1 0 437.609 5.962 40 0 IKABRO CC[NH+](CC)CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022075468 520687045 /nfs/dbraw/zinc/68/70/45/520687045.db2.gz LAPCINOVRMVETI-UHFFFAOYSA-N 1 0 425.798 5.113 40 0 IKABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022074140 520706911 /nfs/dbraw/zinc/70/69/11/520706911.db2.gz KBKDVDWTBRACMQ-UHFFFAOYSA-N 1 0 432.775 5.485 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022074249 520708821 /nfs/dbraw/zinc/70/88/21/520708821.db2.gz WNKVNWNUJOWDQL-UHFFFAOYSA-N 1 0 438.793 6.112 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022074267 520708955 /nfs/dbraw/zinc/70/89/55/520708955.db2.gz SJOWBTXVBNMZIP-UHFFFAOYSA-N 1 0 428.787 6.657 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688519 520717707 /nfs/dbraw/zinc/71/77/07/520717707.db2.gz AZDKDXNHHQGVAD-UHFFFAOYSA-N 1 0 443.946 5.798 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022076771 520722701 /nfs/dbraw/zinc/72/27/01/520722701.db2.gz HDILEOBUMLXBCB-UHFFFAOYSA-N 1 0 446.374 6.270 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022076698 520722765 /nfs/dbraw/zinc/72/27/65/520722765.db2.gz IDUPGIPFIGWFFS-UHFFFAOYSA-N 1 0 430.375 6.569 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)CC1 ZINC000020454906 521023150 /nfs/dbraw/zinc/02/31/50/521023150.db2.gz RQBZVQJYWWXDIU-UHFFFAOYSA-N 1 0 433.596 5.187 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)CC1 ZINC000022527954 521023566 /nfs/dbraw/zinc/02/35/66/521023566.db2.gz PAZLODJYHCKUHE-UHFFFAOYSA-N 1 0 430.617 6.463 40 0 IKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1Cl ZINC000022073885 522442004 /nfs/dbraw/zinc/44/20/04/522442004.db2.gz WIGCNLCGFSAPNC-UHFFFAOYSA-N 1 0 446.418 6.639 40 0 IKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)cc1Cl ZINC000022073786 522442114 /nfs/dbraw/zinc/44/21/14/522442114.db2.gz HNVCPELGJAMJBP-UHFFFAOYSA-N 1 0 446.418 6.495 40 0 IKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000022074185 522473287 /nfs/dbraw/zinc/47/32/87/522473287.db2.gz WIFIVMIGEPWVTQ-INIZCTEOSA-N 1 0 444.344 6.027 40 0 IKABRO COc1cc2cccnc2c(NCCCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000022469012 523061511 /nfs/dbraw/zinc/06/15/11/523061511.db2.gz ODYGOPWVQBFLGX-UHFFFAOYSA-N 1 0 432.612 5.034 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC ZINC000016227446 523975646 /nfs/dbraw/zinc/97/56/46/523975646.db2.gz RXYXCULQAOGCHI-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO CC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016610306 524003456 /nfs/dbraw/zinc/00/34/56/524003456.db2.gz CYZIRFUIKFZYNN-LBPRGKRZSA-N 1 0 447.200 6.232 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)C1 ZINC000020456846 524091860 /nfs/dbraw/zinc/09/18/60/524091860.db2.gz XWNPWGLDKMTZTE-NRFANRHFSA-N 1 0 430.617 6.463 40 0 IKABRO C[C@H](CC[NH+]1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1)c1ccccc1 ZINC000012158800 524175055 /nfs/dbraw/zinc/17/50/55/524175055.db2.gz QZFPYPGNRAFDRN-GOSISDBHSA-N 1 0 431.502 5.027 40 0 IKABRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000022076706 524584340 /nfs/dbraw/zinc/58/43/40/524584340.db2.gz SMELQOPUAREMCF-UHFFFAOYSA-N 1 0 430.773 6.280 40 0 IKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073832 526341840 /nfs/dbraw/zinc/34/18/40/526341840.db2.gz GATPSDJRZXFTMX-UHFFFAOYSA-N 1 0 444.388 6.082 40 0 IKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022073830 526342704 /nfs/dbraw/zinc/34/27/04/526342704.db2.gz PHUNLIFFMHNHIR-UHFFFAOYSA-N 1 0 444.388 6.226 40 0 IKABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000020521951 526467747 /nfs/dbraw/zinc/46/77/47/526467747.db2.gz JQUDXHRYILULGK-HSZRJFAPSA-N 1 0 444.541 5.399 40 0 IKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000016525338 526950911 /nfs/dbraw/zinc/95/09/11/526950911.db2.gz BZRYEWMVNFAOFM-UHFFFAOYSA-N 1 0 425.359 6.386 40 0 IKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000016525930 526989298 /nfs/dbraw/zinc/98/92/98/526989298.db2.gz UQDZHQZOYYNOFZ-UHFFFAOYSA-N 1 0 440.974 6.886 40 0 IKABRO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)c1C ZINC000001448859 555699644 /nfs/dbraw/zinc/69/96/44/555699644.db2.gz GYOKFBOADAVHAG-JOCHJYFZSA-N 1 0 443.012 6.685 40 0 IKABRO Cc1cc(C)c(O)c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1 ZINC000001622595 555706307 /nfs/dbraw/zinc/70/63/07/555706307.db2.gz QOTGVYBPXSCGMG-UHFFFAOYSA-O 1 0 428.555 7.287 40 0 IKABRO CC[NH+](CC)CCCCCNc1cc(OC(=O)c2ccc(Cl)cc2)cc2cccnc21 ZINC000001687528 555709677 /nfs/dbraw/zinc/70/96/77/555709677.db2.gz SYJJHKDQZZSKLP-UHFFFAOYSA-N 1 0 439.987 6.031 40 0 IKABRO CC[NH+](CC)CCOc1ccc(C2=C(c3ccccc3)CCc3cc(OC)ccc32)cc1 ZINC000001696475 555709993 /nfs/dbraw/zinc/70/99/93/555709993.db2.gz LMNAQEJWMWBYLC-UHFFFAOYSA-N 1 0 427.588 6.321 40 0 IKABRO CC[NH+](CC)CCC[C@H](CNc1ccnc2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000001706247 555710288 /nfs/dbraw/zinc/71/02/88/555710288.db2.gz FTCNBUOQORTZBK-LJQANCHMSA-N 1 0 430.423 6.859 40 0 IKABRO c1ccc(-c2oc3ccc4ccccc4c3c2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000001716418 555710656 /nfs/dbraw/zinc/71/06/56/555710656.db2.gz WVTGNUJIBOIUOM-UHFFFAOYSA-N 1 0 433.551 7.395 40 0 IKABRO CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]([NH+](C)C)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)OC(C)=O ZINC000004214341 555976773 /nfs/dbraw/zinc/97/67/73/555976773.db2.gz AYSBIMSATXNCSF-VFEFFJNBSA-N 1 0 447.660 5.070 40 0 in-man IKABRO CCCCN(CCCC)c1ccc(C(=[NH2+])c2ccc(N(CCCC)CCCC)cc2)cc1 ZINC000004522528 555999330 /nfs/dbraw/zinc/99/93/30/555999330.db2.gz ODWADNRIWHRPJE-UHFFFAOYSA-N 1 0 435.700 7.916 40 0 IKABRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC[NH2+]CCO)[C@@H]3CC[C@]12C ZINC000004743445 556009178 /nfs/dbraw/zinc/00/91/78/556009178.db2.gz GKXLUGLOAOBFQD-ZXJUHHKTSA-N 1 0 433.721 6.239 40 0 IKABRO O=C(C[C@H]1CCC[C@H](CC(=O)c2ccccc2)[NH+]1CCc1ccccc1)c1ccccc1 ZINC000005082448 556031616 /nfs/dbraw/zinc/03/16/16/556031616.db2.gz SUJNXAOXYNOELZ-KAYWLYCHSA-N 1 0 425.572 5.998 40 0 IKABRO O[C@@H](C[C@H]1CCC[C@H](C[C@H](O)c2ccccc2)[NH+]1CCc1ccccc1)c1ccccc1 ZINC000005082652 556031695 /nfs/dbraw/zinc/03/16/95/556031695.db2.gz ZHOOOEZKEUBMPQ-GKQHHHCTSA-N 1 0 429.604 5.700 40 0 IKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1ccc(Br)c2ccccc21 ZINC000005523961 556057888 /nfs/dbraw/zinc/05/78/88/556057888.db2.gz URXZYOIAWUNNLJ-XMMPIXPASA-N 1 0 434.462 7.098 40 0 IKABRO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCC[NH+](CC)CC)cc1 ZINC000006869540 556107499 /nfs/dbraw/zinc/10/74/99/556107499.db2.gz WGWSHHKOIGRJCV-UHFFFAOYSA-N 1 0 429.568 5.240 40 0 IKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1Cl ZINC000008254675 556154968 /nfs/dbraw/zinc/15/49/68/556154968.db2.gz GPAXEQBFXWZCHS-UHFFFAOYSA-N 1 0 426.000 6.376 40 0 IKABRO C[C@]12CC3CC([NH2+]Cc4cc(Cl)ccc4OCc4ccc(F)cc4)(C1)C[C@@](C)(C3)C2 ZINC000008534510 556187094 /nfs/dbraw/zinc/18/70/94/556187094.db2.gz GYYSFIASTOFWDT-JZHSQQRGSA-N 1 0 427.991 6.897 40 0 IKABRO C[NH+](C)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000008616438 556192585 /nfs/dbraw/zinc/19/25/85/556192585.db2.gz VXCVWSOSZUBRFK-GOSISDBHSA-N 1 0 430.162 6.110 40 0 IKABRO CCCC(CCC)[NH2+]C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000008649021 556196625 /nfs/dbraw/zinc/19/66/25/556196625.db2.gz WFIGIHLIIHVMGS-LJQANCHMSA-N 1 0 448.451 6.378 40 0 IKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 ZINC000008667844 556198328 /nfs/dbraw/zinc/19/83/28/556198328.db2.gz HVWLSUOIMGPNOV-XMMPIXPASA-N 1 0 445.434 7.144 40 0 IKABRO C[C@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000008721044 556202811 /nfs/dbraw/zinc/20/28/11/556202811.db2.gz CRQSSISIXUBQTB-ZXQJKGHWSA-N 1 0 444.377 6.678 40 0 IKABRO COc1ccc2c(c1)N[C@]1(COC3(C1)CC[NH+](Cc1cccc(Cl)c1)CC3)c1cccn1-2 ZINC000012086189 556399665 /nfs/dbraw/zinc/39/96/65/556399665.db2.gz HPMNYLUYUDYCMP-AREMUKBSSA-N 1 0 449.982 5.215 40 0 IKABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000039761753 556436592 /nfs/dbraw/zinc/43/65/92/556436592.db2.gz CZKYOJRIBQQCQX-UHFFFAOYSA-N 1 0 446.566 5.242 40 0 IKABRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039763177 556436634 /nfs/dbraw/zinc/43/66/34/556436634.db2.gz IKDPBZYZFWNVSF-UHFFFAOYSA-N 1 0 431.285 5.863 40 0 IKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039751075 556438470 /nfs/dbraw/zinc/43/84/70/556438470.db2.gz DQSJWZFPSTYHKM-UHFFFAOYSA-N 1 0 448.607 6.277 40 0 IKABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSCc2c(F)cccc2Cl)CC1 ZINC000039752771 556438738 /nfs/dbraw/zinc/43/87/38/556438738.db2.gz QOYKGRLBVKSODT-UHFFFAOYSA-N 1 0 435.008 5.049 40 0 IKABRO O=C(Nc1ccc(Br)c(Cl)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039752493 556438773 /nfs/dbraw/zinc/43/87/73/556438773.db2.gz GXFVTOSAKMIVFC-UHFFFAOYSA-N 1 0 425.729 5.092 40 0 IKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)cc1 ZINC000039754086 556439108 /nfs/dbraw/zinc/43/91/08/556439108.db2.gz JMFRHDFGGGKELL-UHFFFAOYSA-N 1 0 430.617 6.138 40 0 IKABRO CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000028296655 556451470 /nfs/dbraw/zinc/45/14/70/556451470.db2.gz BXSIGACMNDJOKU-LOSJGSFVSA-N 1 0 442.603 5.314 40 0 IKABRO CC[C@@H](CO)[NH2+]C[C@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000028296658 556451685 /nfs/dbraw/zinc/45/16/85/556451685.db2.gz BXSIGACMNDJOKU-DQEYMECFSA-N 1 0 442.603 5.314 40 0 IKABRO COc1cc([C@@H]2C=C(c3ccc(Cl)cc3)[NH+]=C3N=CNN32)ccc1OCc1ccccc1 ZINC000408919208 556504818 /nfs/dbraw/zinc/50/48/18/556504818.db2.gz UVIGTIUFJJVTNL-QFIPXVFZSA-N 1 0 444.922 5.228 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000030945243 556516937 /nfs/dbraw/zinc/51/69/37/556516937.db2.gz YGGWKOAFXHPMOS-FQEVSTJZSA-N 1 0 445.994 6.319 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000030945296 556516945 /nfs/dbraw/zinc/51/69/45/556516945.db2.gz NJVMFLNXVFSBEC-FQEVSTJZSA-N 1 0 429.539 5.804 40 0 IKABRO CC1=C(c2ccccc2)[C@H](c2ccccc2)C(/C=C/c2ccccc2)=[NH+]C=C1c1ccccc1 ZINC000031740087 556525772 /nfs/dbraw/zinc/52/57/72/556525772.db2.gz WNVFKEPKFBWOQI-UNMXYYQHSA-N 1 0 437.586 8.453 40 0 IKABRO Cc1cc(C)c2nc3c(c([C@@H](O)[C@@H]4CCCC[NH2+]4)c2c1)CC/C3=C/c1ccc(Cl)cc1 ZINC000031761054 556526197 /nfs/dbraw/zinc/52/61/97/556526197.db2.gz RBWRXGUYQAVWHA-QVXSYFJYSA-N 1 0 432.995 6.167 40 0 in-vitro IKABRO Cc1cc(C)c2nc3c(c([C@H](O)[C@@H]4CCCC[NH2+]4)c2c1)CC/C3=C/c1ccc(Cl)cc1 ZINC000031761060 556526199 /nfs/dbraw/zinc/52/61/99/556526199.db2.gz RBWRXGUYQAVWHA-UTQIKEKOSA-N 1 0 432.995 6.167 40 0 in-vitro IKABRO O=C(NCCSCc1ccccc1F)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013669600 556550359 /nfs/dbraw/zinc/55/03/59/556550359.db2.gz WTVCHRLWOSEIAT-UHFFFAOYSA-N 1 0 434.580 5.047 40 0 IKABRO COc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(C)cc3)cc2-c2ccccc2)cc1 ZINC000015951961 556568888 /nfs/dbraw/zinc/56/88/88/556568888.db2.gz DAIJKYBWCCHUQB-UHFFFAOYSA-N 1 0 428.555 7.281 40 0 IKABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195481 556589817 /nfs/dbraw/zinc/58/98/17/556589817.db2.gz NIFWAAXCOTWBHJ-NRFANRHFSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195499 556589826 /nfs/dbraw/zinc/58/98/26/556589826.db2.gz AETPPBBSWACHPU-UHFFFAOYSA-N 1 0 446.330 5.600 40 0 IKABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195809 556590145 /nfs/dbraw/zinc/59/01/45/556590145.db2.gz VGTHBOHCSMOTSO-NRFANRHFSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1ccccc1F ZINC000016195840 556590388 /nfs/dbraw/zinc/59/03/88/556590388.db2.gz GIIAWFJIDOSTCG-UHFFFAOYSA-N 1 0 436.365 5.988 40 0 IKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196313 556590691 /nfs/dbraw/zinc/59/06/91/556590691.db2.gz JAXOZZBUABIOQW-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(F)cc1Cl ZINC000016214732 556591401 /nfs/dbraw/zinc/59/14/01/556591401.db2.gz DJKFJESKHBTXGG-UHFFFAOYSA-N 1 0 429.963 6.125 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000016216601 556591869 /nfs/dbraw/zinc/59/18/69/556591869.db2.gz OVYJSFKYJKOLRJ-UHFFFAOYSA-N 1 0 429.919 5.408 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000016216598 556591893 /nfs/dbraw/zinc/59/18/93/556591893.db2.gz ILVVMUJPEPCDLE-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO Fc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401405 556605800 /nfs/dbraw/zinc/60/58/00/556605800.db2.gz DCAVFTRASSSTFA-UHFFFAOYSA-N 1 0 432.308 5.639 40 0 IKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000016401817 556605948 /nfs/dbraw/zinc/60/59/48/556605948.db2.gz VZGJVXPESCIMAP-UHFFFAOYSA-N 1 0 444.300 5.186 40 0 IKABRO Fc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000016450011 556609207 /nfs/dbraw/zinc/60/92/07/556609207.db2.gz UYRQJPVUSRVWKO-UHFFFAOYSA-N 1 0 434.736 6.110 40 0 IKABRO Fc1ccccc1CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000016449533 556609247 /nfs/dbraw/zinc/60/92/47/556609247.db2.gz DQLGGTVOEICSIH-UHFFFAOYSA-N 1 0 432.308 5.639 40 0 IKABRO Fc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000016449994 556609268 /nfs/dbraw/zinc/60/92/68/556609268.db2.gz FZHJHFNLKNKRHK-UHFFFAOYSA-N 1 0 432.308 5.639 40 0 IKABRO O=C(C[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000016477262 556610945 /nfs/dbraw/zinc/61/09/45/556610945.db2.gz NPZVVFHZLFFBBW-XMMPIXPASA-N 1 0 449.392 5.585 40 0 IKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000016576175 556616179 /nfs/dbraw/zinc/61/61/79/556616179.db2.gz ZMPUABWMIXOKEL-KXEBGOAGSA-N 1 0 440.027 6.622 40 0 IKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccc(Cl)cc1 ZINC000016605957 556617036 /nfs/dbraw/zinc/61/70/36/556617036.db2.gz BQSXIVRFJRFEFT-AEXOJCPESA-N 1 0 440.027 6.766 40 0 IKABRO C[C@]12CC3CC([NH2+]Cc4ccc(OCc5ccc(Cl)cc5Cl)cc4)(C1)C[C@@](C)(C3)C2 ZINC000016606040 556617057 /nfs/dbraw/zinc/61/70/57/556617057.db2.gz GZDKWLTYISREEJ-JZHSQQRGSA-N 1 0 444.446 7.411 40 0 IKABRO CCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016638178 556619147 /nfs/dbraw/zinc/61/91/47/556619147.db2.gz LAWFOSFWEPIHCX-UHFFFAOYSA-N 1 0 445.228 7.005 40 0 IKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000016638533 556619253 /nfs/dbraw/zinc/61/92/53/556619253.db2.gz FSSCMPBEQPRBTI-UHFFFAOYSA-N 1 0 440.809 6.360 40 0 IKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000016638525 556619273 /nfs/dbraw/zinc/61/92/73/556619273.db2.gz ISHQKHBZNCTWAV-UHFFFAOYSA-N 1 0 440.809 6.360 40 0 IKABRO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850876 556624628 /nfs/dbraw/zinc/62/46/28/556624628.db2.gz GMJXPSMYSBYWKP-NRFANRHFSA-N 1 0 445.434 5.687 40 0 IKABRO O=C(NCCSCc1c(F)cccc1Cl)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038853369 556625428 /nfs/dbraw/zinc/62/54/28/556625428.db2.gz UVCGTUQOISDNRQ-UHFFFAOYSA-N 1 0 435.008 5.518 40 0 IKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)C1 ZINC000038854609 556625444 /nfs/dbraw/zinc/62/54/44/556625444.db2.gz PFEMSPRRYRPOBM-FQEVSTJZSA-N 1 0 433.596 5.233 40 0 IKABRO CCOCCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000016687982 556625670 /nfs/dbraw/zinc/62/56/70/556625670.db2.gz RWFXCKZLNDWUMW-UHFFFAOYSA-N 1 0 442.781 5.206 40 0 IKABRO CCOC(=O)c1c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)sc2c1CCCC2 ZINC000038857848 556626011 /nfs/dbraw/zinc/62/60/11/556626011.db2.gz LSEMRQCIVVSUFF-UHFFFAOYSA-N 1 0 440.609 5.288 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688473 556626288 /nfs/dbraw/zinc/62/62/88/556626288.db2.gz XTYSMZVHHBLYBD-UHFFFAOYSA-N 1 0 434.338 6.400 40 0 IKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688459 556626330 /nfs/dbraw/zinc/62/63/30/556626330.db2.gz ZGEJKLMWDLOLRX-QFIPXVFZSA-N 1 0 446.374 5.794 40 0 IKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688512 556626400 /nfs/dbraw/zinc/62/64/00/556626400.db2.gz GLYCFNNXBRVHSD-JOCHJYFZSA-N 1 0 429.919 5.280 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000016688620 556626671 /nfs/dbraw/zinc/62/66/71/556626671.db2.gz MNPAEKSYNPKIIU-UHFFFAOYSA-N 1 0 444.344 5.856 40 0 IKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000016688743 556627009 /nfs/dbraw/zinc/62/70/09/556627009.db2.gz JCYSSTZVGRHVSD-QFIPXVFZSA-N 1 0 429.919 5.280 40 0 IKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689130 556627032 /nfs/dbraw/zinc/62/70/32/556627032.db2.gz PYSYMHPTIWFJMJ-JOCHJYFZSA-N 1 0 446.374 5.794 40 0 IKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689132 556627101 /nfs/dbraw/zinc/62/71/01/556627101.db2.gz PYSYMHPTIWFJMJ-QFIPXVFZSA-N 1 0 446.374 5.794 40 0 IKABRO C[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016697369 556628758 /nfs/dbraw/zinc/62/87/58/556628758.db2.gz LFQIYONICSBQHG-WXVAWEFUSA-N 1 0 444.575 5.416 40 0 IKABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1ccc(-c2ccccc2)cc1)CCCC3 ZINC000040422630 556643671 /nfs/dbraw/zinc/64/36/71/556643671.db2.gz ZRWLPNPYQIGISH-XMMPIXPASA-N 1 0 439.559 5.604 40 0 IKABRO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccc(Cl)cc3)CC1)CC(C)(C)O2 ZINC000044855232 556671341 /nfs/dbraw/zinc/67/13/41/556671341.db2.gz IFCLWMMMNKJXTD-QFIPXVFZSA-N 1 0 426.988 5.279 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044855382 556671663 /nfs/dbraw/zinc/67/16/63/556671663.db2.gz OMNAIQQFOBJBFM-JOCHJYFZSA-N 1 0 426.988 5.279 40 0 IKABRO COc1ccc(/C=C(/C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)cc1 ZINC000044873379 556673746 /nfs/dbraw/zinc/67/37/46/556673746.db2.gz QYIBQMYWCDGRBS-VFCFBJKWSA-N 1 0 440.587 5.538 40 0 IKABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044937253 556682941 /nfs/dbraw/zinc/68/29/41/556682941.db2.gz IKZSOYVYYUCQHO-DEOSSOPVSA-N 1 0 429.004 5.464 40 0 IKABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)ccc1Cl ZINC000044939640 556683235 /nfs/dbraw/zinc/68/32/35/556683235.db2.gz VOIIRIVDTZZZCB-UHFFFAOYSA-N 1 0 435.351 5.021 40 0 IKABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000044939869 556683275 /nfs/dbraw/zinc/68/32/75/556683275.db2.gz IWKZWRLSJMMOMU-UHFFFAOYSA-N 1 0 435.351 5.021 40 0 IKABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000044939771 556683291 /nfs/dbraw/zinc/68/32/91/556683291.db2.gz DLOFIEGWINUIQI-INIZCTEOSA-N 1 0 435.351 5.021 40 0 IKABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1Cl ZINC000044939866 556683385 /nfs/dbraw/zinc/68/33/85/556683385.db2.gz ICDPFOSJGRQJPJ-UHFFFAOYSA-N 1 0 435.351 5.021 40 0 IKABRO CCc1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 ZINC000226308471 556684274 /nfs/dbraw/zinc/68/42/74/556684274.db2.gz WHPWRZRQZRGIOK-UHFFFAOYSA-N 1 0 446.727 5.948 40 0 IKABRO C=C1[NH+]=C(SCc2ccccc2)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408985184 556686613 /nfs/dbraw/zinc/68/66/13/556686613.db2.gz ADDCNVXGJWPXIT-IBGZPJMESA-N 1 0 445.382 5.220 40 0 IKABRO C/C(=C\c1ccccc1)C[NH+]1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019014361 556691349 /nfs/dbraw/zinc/69/13/49/556691349.db2.gz QTXZMLCHLXHCIW-GGGSOPIKSA-N 1 0 439.603 5.297 40 0 IKABRO C/C(=C\c1ccccc1)C[NH+]1CCC([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019014359 556691431 /nfs/dbraw/zinc/69/14/31/556691431.db2.gz QTXZMLCHLXHCIW-AFDBTRFSSA-N 1 0 439.603 5.297 40 0 IKABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000019081842 556696765 /nfs/dbraw/zinc/69/67/65/556696765.db2.gz NPLWUADKUOXYNA-BKMJKUGQSA-N 1 0 449.639 5.085 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000019081967 556696856 /nfs/dbraw/zinc/69/68/56/556696856.db2.gz QSUNDQZKZQFYRI-ATIYNZHBSA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019082039 556697024 /nfs/dbraw/zinc/69/70/24/556697024.db2.gz ZMJZIXQAQHAMPH-AREMUKBSSA-N 1 0 449.639 5.519 40 0 IKABRO COc1cc2c(cc1C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC1)CCCC2 ZINC000019082014 556697041 /nfs/dbraw/zinc/69/70/41/556697041.db2.gz GNZBKWQBIWCSPJ-SANMLTNESA-N 1 0 449.639 5.085 40 0 IKABRO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1cccc2ncccc12)c1ccccn1 ZINC000019082771 556697596 /nfs/dbraw/zinc/69/75/96/556697596.db2.gz ZBVJBBPYESHMOH-ATIYNZHBSA-N 1 0 444.623 5.668 40 0 IKABRO CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086158 556699579 /nfs/dbraw/zinc/69/95/79/556699579.db2.gz WYNPGCHGDZSXER-OFNKIYASSA-N 1 0 441.641 5.190 40 0 IKABRO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086163 556699627 /nfs/dbraw/zinc/69/96/27/556699627.db2.gz WYNPGCHGDZSXER-REWPJTCUSA-N 1 0 441.641 5.190 40 0 IKABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1ccnc1C ZINC000019210160 556708818 /nfs/dbraw/zinc/70/88/18/556708818.db2.gz YIFOZAWHMZWOSY-UHFFFAOYSA-N 1 0 426.564 5.154 40 0 IKABRO COc1ccccc1C[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nc3c(cccc3C)[nH]2)C[C@H]1C(C)C ZINC000072320974 556709852 /nfs/dbraw/zinc/70/98/52/556709852.db2.gz QZAHHAWLSCJGOO-HJOGWXRNSA-N 1 0 431.624 6.067 40 0 biogenic,in-vitro IKABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019236816 556721583 /nfs/dbraw/zinc/72/15/83/556721583.db2.gz ADGJBNCZRZMHMZ-NBGIEHNGSA-N 1 0 435.518 5.052 40 0 IKABRO CC1(C)CC(NCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC(C)(C)[NH2+]1 ZINC000000848807 556721640 /nfs/dbraw/zinc/72/16/40/556721640.db2.gz LQPQQDYUTDIVHR-UHFFFAOYSA-N 1 0 430.017 5.368 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000019294085 556733688 /nfs/dbraw/zinc/73/36/88/556733688.db2.gz ZNKGKJFHYMBIOU-OAQYLSRUSA-N 1 0 440.526 5.196 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000019294082 556733814 /nfs/dbraw/zinc/73/38/14/556733814.db2.gz OGAWKTOIIYBTRF-NRFANRHFSA-N 1 0 440.526 5.196 40 0 IKABRO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCC[N@@H+]3C3CCSCC3)nn21 ZINC000019343872 556741773 /nfs/dbraw/zinc/74/17/73/556741773.db2.gz XJZNJZYECPMVLA-XYJFISCASA-N 1 0 442.576 5.637 40 0 IKABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019347732 556743474 /nfs/dbraw/zinc/74/34/74/556743474.db2.gz RPPXJNVAYMNVMY-KCZVDYSFSA-N 1 0 426.582 5.079 40 0 IKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000019368998 556746787 /nfs/dbraw/zinc/74/67/87/556746787.db2.gz LXJONGLJLBGLCA-HFMPRLQTSA-N 1 0 438.543 5.157 40 0 IKABRO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000019370898 556748464 /nfs/dbraw/zinc/74/84/64/556748464.db2.gz ISODBYSWWKPDCB-WNCULLNHSA-N 1 0 448.010 5.437 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CC[NH+](Cc4ccccn4)CC3)n2)c1 ZINC000019401571 556753827 /nfs/dbraw/zinc/75/38/27/556753827.db2.gz XJUNIWAOUPKZIG-UHFFFAOYSA-N 1 0 440.526 5.196 40 0 IKABRO CC(C)Oc1cccc(C[NH+]2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 ZINC000019450838 556761605 /nfs/dbraw/zinc/76/16/05/556761605.db2.gz QEBJBSLJEHZYCP-RUZDIDTESA-N 1 0 449.620 5.314 40 0 IKABRO CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000019523080 556780271 /nfs/dbraw/zinc/78/02/71/556780271.db2.gz JLBYIZSPMPUOCZ-QFIPXVFZSA-N 1 0 443.595 5.203 40 0 IKABRO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@@H+]2Cc2cc(OC)cc(OC)c2)n1 ZINC000019525602 556783065 /nfs/dbraw/zinc/78/30/65/556783065.db2.gz VCITUVJRHXPBAT-DEOSSOPVSA-N 1 0 432.568 5.236 40 0 IKABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019533788 556793615 /nfs/dbraw/zinc/79/36/15/556793615.db2.gz RGLJYFDMAVPPEH-INIZCTEOSA-N 1 0 449.473 5.337 40 0 IKABRO COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C1CCCCC1 ZINC000019570534 556810322 /nfs/dbraw/zinc/81/03/22/556810322.db2.gz BINZODGKSNFZEI-WXFUMESZSA-N 1 0 438.637 5.154 40 0 IKABRO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 ZINC000019581650 556819720 /nfs/dbraw/zinc/81/97/20/556819720.db2.gz SNFHUXMLVXTTSW-RPBOFIJWSA-N 1 0 442.559 5.014 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(C)cc2)cs1 ZINC000004214839 556820982 /nfs/dbraw/zinc/82/09/82/556820982.db2.gz ODCOGGNHAUFDSC-UHFFFAOYSA-N 1 0 425.573 5.636 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)COc1ccc(C)cc1)c1nc(-c2ccccc2)cs1 ZINC000006511311 556838189 /nfs/dbraw/zinc/83/81/89/556838189.db2.gz UERSESNDNQQHTJ-UHFFFAOYSA-N 1 0 437.609 5.262 40 0 IKABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695969 556852952 /nfs/dbraw/zinc/85/29/52/556852952.db2.gz NKPRFVSEXVMPFT-XMMPIXPASA-N 1 0 432.612 5.167 40 0 IKABRO Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408860679 556872442 /nfs/dbraw/zinc/87/24/42/556872442.db2.gz BOPJYFHVCRNAPX-UHFFFAOYSA-N 1 0 433.983 5.219 40 0 IKABRO Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408863007 556872732 /nfs/dbraw/zinc/87/27/32/556872732.db2.gz KFQOELCNRWQUJE-UHFFFAOYSA-N 1 0 433.983 5.219 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019761754 556905321 /nfs/dbraw/zinc/90/53/21/556905321.db2.gz NZTQROPGBPFJIT-OAQYLSRUSA-N 1 0 447.627 5.004 40 0 IKABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330421 556905468 /nfs/dbraw/zinc/90/54/68/556905468.db2.gz PFRUPJQXTWCCGR-BWKNWUBXSA-N 1 0 449.620 5.314 40 0 IKABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000072330447 556905760 /nfs/dbraw/zinc/90/57/60/556905760.db2.gz OPUAYHSYFGHNBL-CPJSRVTESA-N 1 0 427.539 5.010 40 0 IKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330449 556905776 /nfs/dbraw/zinc/90/57/76/556905776.db2.gz JOEJFBSVOQAJAR-VOUDCSDKSA-N 1 0 431.624 5.635 40 0 IKABRO Cc1ccsc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000072330552 556906525 /nfs/dbraw/zinc/90/65/25/556906525.db2.gz HKPWKVCNGBNTTD-NVQXNPDNSA-N 1 0 433.621 5.154 40 0 IKABRO COc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000072330564 556906627 /nfs/dbraw/zinc/90/66/27/556906627.db2.gz VNGZSACNXGYWPK-IGKIAQTJSA-N 1 0 443.591 5.113 40 0 IKABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341433 556913583 /nfs/dbraw/zinc/91/35/83/556913583.db2.gz LRWDIRNFKZDFFZ-GGAORHGYSA-N 1 0 441.641 5.190 40 0 IKABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341432 556913637 /nfs/dbraw/zinc/91/36/37/556913637.db2.gz LRWDIRNFKZDFFZ-GMAHTHKFSA-N 1 0 441.641 5.190 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2cccnc2)CC1 ZINC000072345089 556916597 /nfs/dbraw/zinc/91/65/97/556916597.db2.gz DYGRNKJDWKZATL-UHFFFAOYSA-N 1 0 433.621 5.161 40 0 IKABRO CC(C)n1cc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000072352557 556924421 /nfs/dbraw/zinc/92/44/21/556924421.db2.gz YWGGLNMCNKHRFT-GOSISDBHSA-N 1 0 446.620 5.523 40 0 IKABRO Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)nc1 ZINC000072353170 556925773 /nfs/dbraw/zinc/92/57/73/556925773.db2.gz IWGSORPFAXNRLZ-QFIPXVFZSA-N 1 0 435.616 5.139 40 0 IKABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000072354590 556929876 /nfs/dbraw/zinc/92/98/76/556929876.db2.gz KMPZGCHNYVPICN-HXUWFJFHSA-N 1 0 428.458 5.090 40 0 IKABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1c(C)nn(C(C)C)c1C ZINC000072370489 556935058 /nfs/dbraw/zinc/93/50/58/556935058.db2.gz RXUGEOFHMVEKEL-LJQANCHMSA-N 1 0 438.641 5.252 40 0 IKABRO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000072371477 556939220 /nfs/dbraw/zinc/93/92/20/556939220.db2.gz ZCVUTFONNWJUCM-HXUWFJFHSA-N 1 0 432.955 5.222 40 0 IKABRO CCn1ncc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000072376645 556955406 /nfs/dbraw/zinc/95/54/06/556955406.db2.gz NOUSDTGPGZYFKY-JOCHJYFZSA-N 1 0 439.007 5.115 40 0 IKABRO CCOc1ccc(C[N@@H+]2C[C@H](c3cc(C(F)F)n[nH]3)[C@@H](c3ccccc3)C2)cc1OC ZINC000072389757 556959862 /nfs/dbraw/zinc/95/98/62/556959862.db2.gz QQHSUQJLVUVKPH-MOPGFXCFSA-N 1 0 427.495 5.138 40 0 IKABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072391339 556962006 /nfs/dbraw/zinc/96/20/06/556962006.db2.gz GWPUSDSGGLNEKR-FQEVSTJZSA-N 1 0 440.526 5.196 40 0 IKABRO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398614 556970269 /nfs/dbraw/zinc/97/02/69/556970269.db2.gz WKYZAVFTGFUEMZ-DFBJGRDBSA-N 1 0 433.596 5.506 40 0 IKABRO C[NH+]1CCN([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020192835 556996700 /nfs/dbraw/zinc/99/67/00/556996700.db2.gz HFAIOBHVXRQEGX-RUZDIDTESA-N 1 0 431.967 5.536 40 0 IKABRO CCOC(=O)c1c2c(sc1NC(=O)C[NH+](C1CCCCC1)C1CCCCC1)CCCC2 ZINC000408580181 557044525 /nfs/dbraw/zinc/04/45/25/557044525.db2.gz BAKSPZVDKRVBBO-UHFFFAOYSA-N 1 0 446.657 5.710 40 0 IKABRO O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408604088 557069208 /nfs/dbraw/zinc/06/92/08/557069208.db2.gz DIBVCPPZNBKFMB-UHFFFAOYSA-N 1 0 438.615 5.723 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 ZINC000216839388 557157426 /nfs/dbraw/zinc/15/74/26/557157426.db2.gz NPYSVZZOKJPIKE-CQSZACIVSA-N 1 0 432.305 5.331 40 0 IKABRO 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 557162607 /nfs/dbraw/zinc/16/26/07/557162607.db2.gz HBCKQDJNNYSOKP-HXNUEKDGSA-N 1 0 434.580 5.042 40 0 IKABRO 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 557162682 /nfs/dbraw/zinc/16/26/82/557162682.db2.gz PNEZUKVPMORBBH-SRPRTCBCSA-N 1 0 434.580 5.042 40 0 IKABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053471 557166805 /nfs/dbraw/zinc/16/68/05/557166805.db2.gz IDXGAJRDHXWCIQ-FQEVSTJZSA-N 1 0 426.626 5.216 40 0 IKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 ZINC000008254763 557168807 /nfs/dbraw/zinc/16/88/07/557168807.db2.gz OSSPYYQPCXEVMA-VIAIDJOKSA-N 1 0 425.638 6.420 40 0 IKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 ZINC000008254759 557168869 /nfs/dbraw/zinc/16/88/69/557168869.db2.gz OSSPYYQPCXEVMA-FJDLLSKQSA-N 1 0 425.638 6.420 40 0 IKABRO COc1ccc(C[NH+]2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)cc1 ZINC000096099996 557169308 /nfs/dbraw/zinc/16/93/08/557169308.db2.gz PSFROVXMBKJSER-UHFFFAOYSA-N 1 0 433.600 5.001 40 0 IKABRO COc1ccc(C[NH+]2CCC(c3cc4c(ncn4C)c(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000096099982 557169386 /nfs/dbraw/zinc/16/93/86/557169386.db2.gz SCZWCAADUUHWAQ-UHFFFAOYSA-N 1 0 442.563 5.032 40 0 IKABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccc(F)cc3)CC1)nc2-c1cccnc1 ZINC000096100012 557169442 /nfs/dbraw/zinc/16/94/42/557169442.db2.gz WTCXWEMHWILFHA-UHFFFAOYSA-N 1 0 429.543 5.593 40 0 IKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1cccs1 ZINC000022073953 557173864 /nfs/dbraw/zinc/17/38/64/557173864.db2.gz ZWPYCVRWHIYPKM-ASXFNGKXSA-N 1 0 446.056 6.684 40 0 IKABRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2)CC1 ZINC000022529139 557225051 /nfs/dbraw/zinc/22/50/51/557225051.db2.gz ABLCPOZNIDGTRE-ACCUITESSA-N 1 0 449.982 5.702 40 0 IKABRO CC/C=C/C(=O)OC[C@H](O)[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026897348 557250370 /nfs/dbraw/zinc/25/03/70/557250370.db2.gz NYEZVINCEJVQNO-HTDUPATJSA-N 1 0 443.587 5.170 40 0 IKABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740261 557257498 /nfs/dbraw/zinc/25/74/98/557257498.db2.gz MWBRWQVMOTXTMX-KDURUIRLSA-N 1 0 430.983 6.219 40 0 IKABRO Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH+]4C[C@@H](C)C[C@H](C)C4)cc23)c1 ZINC000057740317 557257570 /nfs/dbraw/zinc/25/75/70/557257570.db2.gz FJTBGHSWZORENE-PMACEKPBSA-N 1 0 426.564 5.167 40 0 IKABRO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774859 557264681 /nfs/dbraw/zinc/26/46/81/557264681.db2.gz PTWPLXVMNNTQFN-GGAORHGYSA-N 1 0 428.020 5.773 40 0 IKABRO COC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219959658 557272246 /nfs/dbraw/zinc/27/22/46/557272246.db2.gz PNJACJKUFUBSTB-UHFFFAOYSA-N 1 0 442.559 5.180 40 0 IKABRO CSc1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219959835 557272324 /nfs/dbraw/zinc/27/23/24/557272324.db2.gz YBWUZHXDSRHZSA-UHFFFAOYSA-N 1 0 430.617 6.116 40 0 IKABRO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960055 557272335 /nfs/dbraw/zinc/27/23/35/557272335.db2.gz GUVBUXVSXSGSSK-UHFFFAOYSA-N 1 0 442.559 5.165 40 0 IKABRO CN(CCNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000219962775 557272527 /nfs/dbraw/zinc/27/25/27/557272527.db2.gz LTSGDUSKSYVLPH-UHFFFAOYSA-N 1 0 441.619 5.008 40 0 IKABRO O=C(NCCCc1ccccc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219962332 557272630 /nfs/dbraw/zinc/27/26/30/557272630.db2.gz PCLXWIMHIROFLH-UHFFFAOYSA-N 1 0 426.604 5.504 40 0 IKABRO O=C(NCCCc1ccc(F)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219962149 557272649 /nfs/dbraw/zinc/27/26/49/557272649.db2.gz HUFUXJOXSYOYMN-UHFFFAOYSA-N 1 0 444.594 5.643 40 0 IKABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219962252 557272711 /nfs/dbraw/zinc/27/27/11/557272711.db2.gz XRVODWIDYJIJLS-UHFFFAOYSA-N 1 0 442.603 5.259 40 0 IKABRO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022920642 557273290 /nfs/dbraw/zinc/27/32/90/557273290.db2.gz IHLPSSABOMNBIL-QHCPKHFHSA-N 1 0 449.598 5.574 40 0 IKABRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000013083068 557276463 /nfs/dbraw/zinc/27/64/63/557276463.db2.gz WIVVZJORPARBJQ-UHFFFAOYSA-N 1 0 433.577 5.081 40 0 IKABRO COc1ccc(CN(C(=O)c2cc3sccc3n2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013083086 557276470 /nfs/dbraw/zinc/27/64/70/557276470.db2.gz HWZHUPNBABSTRU-UHFFFAOYSA-N 1 0 439.625 5.200 40 0 IKABRO COc1ccc([C@@H]2[NH2+][C@@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000102710820 557305869 /nfs/dbraw/zinc/30/58/69/557305869.db2.gz BTUTYNXWDXRDAN-FYSOTKFNSA-N 1 0 431.576 5.335 40 0 IKABRO Cc1ccccc1OCc1n(C)c2ccccc2[n+]1CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000013305179 557309118 /nfs/dbraw/zinc/30/91/18/557309118.db2.gz OHZBSGJYECCCNY-HXAGEGRHSA-N 1 0 449.615 5.357 40 0 IKABRO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501158 557324610 /nfs/dbraw/zinc/32/46/10/557324610.db2.gz ZQZXLQCLQKDLIS-XMMPIXPASA-N 1 0 448.615 5.224 40 0 IKABRO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501120 557324712 /nfs/dbraw/zinc/32/47/12/557324712.db2.gz RUVLJMXLYQKUAT-HSZRJFAPSA-N 1 0 448.615 5.224 40 0 IKABRO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499290 557328504 /nfs/dbraw/zinc/32/85/04/557328504.db2.gz RQMUQROSLHQVCQ-DEOSSOPVSA-N 1 0 448.615 5.224 40 0 IKABRO CC(C)(C)c1ccc(C(=O)c2c(NC(=O)C[NH2+]C3CCCC3)sc3c2CCCC3)cc1 ZINC000013511927 557332550 /nfs/dbraw/zinc/33/25/50/557332550.db2.gz JKRSEWKMHUBXBC-UHFFFAOYSA-N 1 0 438.637 5.626 40 0 IKABRO Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]CCc4ccccc4)cc23)cc1 ZINC000013564700 557340947 /nfs/dbraw/zinc/34/09/47/557340947.db2.gz SAQGNAISINCNTM-UHFFFAOYSA-N 1 0 434.543 5.022 40 0 IKABRO Cc1ccc(C[NH2+]Cc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 ZINC000013564682 557341005 /nfs/dbraw/zinc/34/10/05/557341005.db2.gz JDDOUDZSESCJMU-UHFFFAOYSA-N 1 0 434.971 5.263 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072215852 557342705 /nfs/dbraw/zinc/34/27/05/557342705.db2.gz ULMZNUYWPVPWSI-XMMPIXPASA-N 1 0 429.564 6.492 40 0 IKABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222626204 557364618 /nfs/dbraw/zinc/36/46/18/557364618.db2.gz NYOCDVZWJASLOA-INIZCTEOSA-N 1 0 447.391 5.363 40 0 IKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1 ZINC000113959000 557381812 /nfs/dbraw/zinc/38/18/12/557381812.db2.gz TWVTXWMBCDRRNR-GDLZYMKVSA-N 1 0 440.631 6.331 40 0 IKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958857 557381867 /nfs/dbraw/zinc/38/18/67/557381867.db2.gz FEGIODQEQKCSOY-HSZRJFAPSA-N 1 0 426.604 5.941 40 0 IKABRO 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 557405811 /nfs/dbraw/zinc/40/58/11/557405811.db2.gz GRMUAQMHJKQVFL-UADDZZBXSA-N 1 0 427.673 5.629 40 0 IKABRO 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 557405826 /nfs/dbraw/zinc/40/58/26/557405826.db2.gz GRMUAQMHJKQVFL-YKFKSESESA-N 1 0 427.673 5.629 40 0 IKABRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](SC(N)=[NH2+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923208 557406240 /nfs/dbraw/zinc/40/62/40/557406240.db2.gz CYWAQCFVYPSZRZ-BLHQOSEHSA-N 1 0 448.717 6.230 40 0 IKABRO CN(C)CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)(C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118923227 557406266 /nfs/dbraw/zinc/40/62/66/557406266.db2.gz YQHUMJXBHFISTA-XWXYNRRJSA-N 1 0 446.720 5.459 40 0 IKABRO CN(C)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)(C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118923225 557406336 /nfs/dbraw/zinc/40/63/36/557406336.db2.gz YQHUMJXBHFISTA-NZMXRIJDSA-N 1 0 446.720 5.459 40 0 IKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(N)=[NH2+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118934612 557407295 /nfs/dbraw/zinc/40/72/95/557407295.db2.gz TVHARYBPHHUEHF-DTHNQABZSA-N 1 0 444.773 8.023 40 0 IKABRO Oc1ccc(/C=C/c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1 ZINC000025694437 557410133 /nfs/dbraw/zinc/41/01/33/557410133.db2.gz GRCMPWDXDVUTIZ-VAWYXSNFSA-O 1 0 427.523 8.438 40 0 IKABRO O[C@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000040373145 557414529 /nfs/dbraw/zinc/41/45/29/557414529.db2.gz RMJLQRSZYAFFRM-NDEPHWFRSA-N 1 0 429.604 5.151 40 0 IKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103646 557431575 /nfs/dbraw/zinc/43/15/75/557431575.db2.gz DBEXEEYLQCJPTP-RUZDIDTESA-N 1 0 425.016 5.698 40 0 IKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103851 557431817 /nfs/dbraw/zinc/43/18/17/557431817.db2.gz BRTDOMGMCKWXFB-VWLOTQADSA-N 1 0 425.016 5.698 40 0 IKABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 ZINC000014273667 557433255 /nfs/dbraw/zinc/43/32/55/557433255.db2.gz PAXVWHZDCLLAMK-UHFFFAOYSA-N 1 0 444.362 5.648 40 0 IKABRO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)s2)cc1 ZINC000223298901 557456765 /nfs/dbraw/zinc/45/67/65/557456765.db2.gz FKDIXXWQRWTUMP-UHFFFAOYSA-N 1 0 426.973 5.018 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C(C)C ZINC000223349329 557461077 /nfs/dbraw/zinc/46/10/77/557461077.db2.gz AAELNUXKIPWUDA-IBGZPJMESA-N 1 0 443.031 5.870 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000223367845 557463490 /nfs/dbraw/zinc/46/34/90/557463490.db2.gz VAHQGKNMOUPOEW-PZJWPPBQSA-N 1 0 426.576 5.356 40 0 IKABRO O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223415625 557469207 /nfs/dbraw/zinc/46/92/07/557469207.db2.gz HFVFXBNYUPWBQQ-UHFFFAOYSA-N 1 0 432.523 6.397 40 0 IKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)nc1 ZINC000016576187 557474344 /nfs/dbraw/zinc/47/43/44/557474344.db2.gz PIBYFMXADJGRML-MKAFVFIBSA-N 1 0 441.015 6.017 40 0 IKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1Cl ZINC000016576193 557474719 /nfs/dbraw/zinc/47/47/19/557474719.db2.gz GFFCPKBGDUNZCL-DPDSROAVSA-N 1 0 440.027 6.622 40 0 IKABRO C[C@@H]([NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000016576199 557474721 /nfs/dbraw/zinc/47/47/21/557474721.db2.gz GZSWOTNVJJBDQD-GWKODMSMSA-N 1 0 444.446 7.267 40 0 IKABRO COc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(Cl)cc1 ZINC000016576205 557474736 /nfs/dbraw/zinc/47/47/36/557474736.db2.gz OTSCNXVZDJEXKJ-PYMPDBRZSA-N 1 0 440.027 6.622 40 0 IKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1Cl ZINC000016576194 557474738 /nfs/dbraw/zinc/47/47/38/557474738.db2.gz GFFCPKBGDUNZCL-PYMPDBRZSA-N 1 0 440.027 6.622 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000016688622 557475477 /nfs/dbraw/zinc/47/54/77/557475477.db2.gz RLCANVNQOAMEIP-UHFFFAOYSA-N 1 0 426.354 5.717 40 0 IKABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000016688644 557475479 /nfs/dbraw/zinc/47/54/79/557475479.db2.gz GGRXHMNSHQDDGJ-UHFFFAOYSA-N 1 0 426.782 5.968 40 0 IKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC ZINC000016688363 557475481 /nfs/dbraw/zinc/47/54/81/557475481.db2.gz TXCYYJIWKFPRAV-SCUMNGBJSA-N 1 0 436.434 5.941 40 0 IKABRO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000223717325 557505560 /nfs/dbraw/zinc/50/55/60/557505560.db2.gz VMSZAPUCXIDFOO-UHFFFAOYSA-N 1 0 429.004 5.045 40 0 IKABRO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000223717156 557505569 /nfs/dbraw/zinc/50/55/69/557505569.db2.gz MMLOMODVISUUEC-UHFFFAOYSA-N 1 0 429.004 5.045 40 0 IKABRO COc1ccc(OC)c(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000020241908 557519474 /nfs/dbraw/zinc/51/94/74/557519474.db2.gz IILBTPSBKSWBAS-UHFFFAOYSA-N 1 0 444.575 5.411 40 0 IKABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1Cl ZINC000224119932 557563868 /nfs/dbraw/zinc/56/38/68/557563868.db2.gz ZXNIFXQVHYQOLD-UHFFFAOYSA-N 1 0 434.967 5.016 40 0 IKABRO Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1C ZINC000224259920 557581986 /nfs/dbraw/zinc/58/19/86/557581986.db2.gz GIILFJAXNVQRPR-ZEQRLZLVSA-N 1 0 425.561 5.061 40 0 IKABRO CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224327460 557592275 /nfs/dbraw/zinc/59/22/75/557592275.db2.gz PTXVWRXNTXWPAH-BJKOFHAPSA-N 1 0 425.561 5.007 40 0 IKABRO CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224359936 557597768 /nfs/dbraw/zinc/59/77/68/557597768.db2.gz AGCWCNFGRILBDD-JWQCQUIFSA-N 1 0 439.588 5.568 40 0 IKABRO CCC1(CC)C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000224389285 557600538 /nfs/dbraw/zinc/60/05/38/557600538.db2.gz QSSYGAMKRJMJQA-OFNKIYASSA-N 1 0 441.015 5.751 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224506958 557614280 /nfs/dbraw/zinc/61/42/80/557614280.db2.gz MOKCBSFFWUXKDJ-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO O=C(CSCc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224646863 557635659 /nfs/dbraw/zinc/63/56/59/557635659.db2.gz XYUKSUFDGPCHEV-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO Cc1ccc(SCc2ccc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)cc2)cc1 ZINC000224647609 557635901 /nfs/dbraw/zinc/63/59/01/557635901.db2.gz LFHMIQCHVIKNDA-UHFFFAOYSA-N 1 0 444.644 6.203 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224687335 557640473 /nfs/dbraw/zinc/64/04/73/557640473.db2.gz XCSUZUKCJFOAEH-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849450 557658550 /nfs/dbraw/zinc/65/85/50/557658550.db2.gz QWYJBNILNPDAEE-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO CC(C)n1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000225166192 557695037 /nfs/dbraw/zinc/69/50/37/557695037.db2.gz YMSPBSGYROPNAU-UHFFFAOYSA-N 1 0 444.000 5.148 40 0 IKABRO O=C(NCCSC1CCCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000225384026 557717020 /nfs/dbraw/zinc/71/70/20/557717020.db2.gz NSCPWSKHPYHEMT-UHFFFAOYSA-N 1 0 436.665 5.547 40 0 IKABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225516013 557733545 /nfs/dbraw/zinc/73/35/45/557733545.db2.gz AQRPQQBRGHZPTA-NHCUHLMSSA-N 1 0 438.587 5.633 40 0 IKABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225516608 557733908 /nfs/dbraw/zinc/73/39/08/557733908.db2.gz ZSVBLGAMVWFCIJ-NRFANRHFSA-N 1 0 438.587 5.920 40 0 IKABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225516568 557733921 /nfs/dbraw/zinc/73/39/21/557733921.db2.gz ZSVBLGAMVWFCIJ-OAQYLSRUSA-N 1 0 438.587 5.920 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccccc2Cl)CCCC1 ZINC000225525957 557735937 /nfs/dbraw/zinc/73/59/37/557735937.db2.gz NLRDTXQYGYNEEP-UHFFFAOYSA-N 1 0 426.988 5.655 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2Cl)CCCC1 ZINC000225526359 557736387 /nfs/dbraw/zinc/73/63/87/557736387.db2.gz XVRNZAHNSQERIO-UHFFFAOYSA-N 1 0 441.015 6.045 40 0 IKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225528800 557737006 /nfs/dbraw/zinc/73/70/06/557737006.db2.gz WGIWIWVSEDQQGB-UHFFFAOYSA-N 1 0 449.422 6.165 40 0 IKABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)CC1 ZINC000225534668 557737989 /nfs/dbraw/zinc/73/79/89/557737989.db2.gz MBJKJMOIDNLBHP-UHFFFAOYSA-N 1 0 434.624 6.028 40 0 IKABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534393 557738039 /nfs/dbraw/zinc/73/80/39/557738039.db2.gz ZNYUPJLFAQHRGR-GOTSBHOMSA-N 1 0 434.624 5.884 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCCC4)cc3)CCCCC2)c1 ZINC000225540148 557738813 /nfs/dbraw/zinc/73/88/13/557738813.db2.gz LPEFBRGUCDLKHV-UHFFFAOYSA-N 1 0 434.624 6.090 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)CCCCC2)c1 ZINC000225539959 557738885 /nfs/dbraw/zinc/73/88/85/557738885.db2.gz FHOKZLOZHOOOTM-ZEQRLZLVSA-N 1 0 448.651 6.192 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCC(C)CC4)cc3)CCCCC2)c1 ZINC000225539746 557738923 /nfs/dbraw/zinc/73/89/23/557738923.db2.gz ICSRYOKPJJXXJB-UHFFFAOYSA-N 1 0 434.624 5.946 40 0 IKABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)C1 ZINC000225545081 557739643 /nfs/dbraw/zinc/73/96/43/557739643.db2.gz DDLCFBIWMRRYQP-NRFANRHFSA-N 1 0 438.587 5.777 40 0 IKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 ZINC000225553516 557741287 /nfs/dbraw/zinc/74/12/87/557741287.db2.gz LCZOGIHNBHQADW-UHFFFAOYSA-N 1 0 429.004 5.901 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccccc2Cl)CCCCC1 ZINC000225554099 557741512 /nfs/dbraw/zinc/74/15/12/557741512.db2.gz ITMJVRZXAFOAOW-UHFFFAOYSA-N 1 0 441.015 6.045 40 0 IKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 ZINC000225559227 557742393 /nfs/dbraw/zinc/74/23/93/557742393.db2.gz FFCHFEWFQPFCNT-UHFFFAOYSA-N 1 0 438.612 5.647 40 0 IKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225615490 557752654 /nfs/dbraw/zinc/75/26/54/557752654.db2.gz GCELHTOWCJFGJW-VXKWHMMOSA-N 1 0 432.649 5.459 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225664174 557759161 /nfs/dbraw/zinc/75/91/61/557759161.db2.gz SARCKGSJWYGOFB-ATIYNZHBSA-N 1 0 430.633 5.501 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225669139 557760124 /nfs/dbraw/zinc/76/01/24/557760124.db2.gz NDHAKZYMERGVOR-UHFFFAOYSA-N 1 0 430.633 5.501 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225742419 557771620 /nfs/dbraw/zinc/77/16/20/557771620.db2.gz KRHRURCQRIBTGF-UHFFFAOYSA-N 1 0 434.665 5.993 40 0 IKABRO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)s2)cc1 ZINC000225749786 557772626 /nfs/dbraw/zinc/77/26/26/557772626.db2.gz JGWKLJLGJVRZMR-UHFFFAOYSA-N 1 0 440.572 5.324 40 0 IKABRO CCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000059108647 557820245 /nfs/dbraw/zinc/82/02/45/557820245.db2.gz IMKYIEDKBBPXPP-UHFFFAOYSA-N 1 0 429.564 5.050 40 0 IKABRO CCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000059108648 557820270 /nfs/dbraw/zinc/82/02/70/557820270.db2.gz XMQRBQRURAONLH-UHFFFAOYSA-N 1 0 443.591 5.440 40 0 IKABRO C[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967353 557829490 /nfs/dbraw/zinc/82/94/90/557829490.db2.gz LBMQWGLSKLHDSA-ONEAYSBLSA-N 1 0 445.606 7.163 40 0 IKABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000063720234 557832564 /nfs/dbraw/zinc/83/25/64/557832564.db2.gz RSUMDFBTCAAZNY-MQLOMMGFSA-N 1 0 443.031 5.085 40 0 IKABRO Clc1ccc2c(c1)nccc2NCC[NH2+]CCNc1ccnc2cc(Cl)ccc21 ZINC000029398920 563079239 /nfs/dbraw/zinc/07/92/39/563079239.db2.gz HRUWSRXSOBVXEI-UHFFFAOYSA-N 1 0 426.351 5.203 40 0 IKABRO Cn1nc(C2CCCC2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CN(Cc1ccco1)Cc1ccco1 ZINC000039560666 565110777 /nfs/dbraw/zinc/11/07/77/565110777.db2.gz NHPJOVMUYQOGDM-FBLLAGFSSA-N 1 0 448.611 5.144 40 0 biogenic,in-vitro IKABRO Cc1nn(Cc2cccc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)c2)c(C)c1Cl ZINC000008816363 568793543 /nfs/dbraw/zinc/79/35/43/568793543.db2.gz RIGIHFFODRMCNJ-UHFFFAOYSA-N 1 0 436.987 5.440 40 0 IKABRO c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4nc(-c5ccccc5)oc43)CC2)cc1 ZINC000027985972 568819381 /nfs/dbraw/zinc/81/93/81/568819381.db2.gz PCTUPYDYBATIJY-UHFFFAOYSA-N 1 0 447.542 5.274 40 0 IKABRO C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000216839341 568862551 /nfs/dbraw/zinc/86/25/51/568862551.db2.gz LBYYUHPIBJSMIJ-AWEZNQCLSA-N 1 0 432.305 5.474 40 0 IKABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 ZINC000216839497 568862875 /nfs/dbraw/zinc/86/28/75/568862875.db2.gz RZZCGPHSEQOMKY-GASCZTMLSA-N 1 0 446.332 5.577 40 0 IKABRO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100389 568872626 /nfs/dbraw/zinc/87/26/26/568872626.db2.gz LETASVTYCGFFBU-NDEPHWFRSA-N 1 0 447.598 5.677 40 0 IKABRO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@@H+]4Cc4cccc(F)c4)CC3)oc21 ZINC000585100708 568872797 /nfs/dbraw/zinc/87/27/97/568872797.db2.gz UJEZHWNAMLTANG-AREMUKBSSA-N 1 0 436.527 5.241 40 0 IKABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000585166180 568872917 /nfs/dbraw/zinc/87/29/17/568872917.db2.gz LYZTZBHCZOFMGD-UHFFFAOYSA-N 1 0 441.619 5.443 40 0 IKABRO CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CC[NH+](Cc2ccncc2)CC1 ZINC000585166514 568872938 /nfs/dbraw/zinc/87/29/38/568872938.db2.gz QHSJLXKLTDMNGR-UHFFFAOYSA-N 1 0 427.592 5.018 40 0 IKABRO C[C@H](CC[NH+]1CCC(Cc2cccc(-c3cccnc3)c2)(C(N)=O)CC1)c1ccccc1 ZINC000585166491 568873010 /nfs/dbraw/zinc/87/30/10/568873010.db2.gz NRAQHESSIHTZDQ-JOCHJYFZSA-N 1 0 427.592 5.052 40 0 IKABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000585166473 568873025 /nfs/dbraw/zinc/87/30/25/568873025.db2.gz TYFZEYMZLRUKCM-HSZRJFAPSA-N 1 0 441.619 5.313 40 0 IKABRO CC(C)CN1C[C@]2(C[NH2+]C[C@@H]2c2ccc(Cl)c(F)c2)N(c2ccc(Cl)cc2)C1=O ZINC000585262185 568873659 /nfs/dbraw/zinc/87/36/59/568873659.db2.gz PVBCILLNNPCZTB-GCJKJVERSA-N 1 0 436.358 5.156 40 0 IKABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccccc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000585260849 568873677 /nfs/dbraw/zinc/87/36/77/568873677.db2.gz XCGGNQGBECOWIH-RUZDIDTESA-N 1 0 440.584 5.086 40 0 IKABRO FC(F)(F)c1nc(-c2cc(C3CCN(c4cc[nH+]c5ccccc54)CC3)ccn2)no1 ZINC000585266752 568874204 /nfs/dbraw/zinc/87/42/04/568874204.db2.gz GSIPKPDRKBLTAS-UHFFFAOYSA-N 1 0 425.414 5.083 40 0 IKABRO Cc1cc(OCC2(O)CC[NH+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC2)cc(C)c1Cl ZINC000585287848 568874665 /nfs/dbraw/zinc/87/46/65/568874665.db2.gz TVOCUFRLSRHBPH-RZJSWYKGSA-N 1 0 438.052 5.130 40 0 IKABRO CC(C)(C)[C@H]1CC[C@](O)(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585287775 568874705 /nfs/dbraw/zinc/87/47/05/568874705.db2.gz RFIMZRLETGTHFB-LMTLIKQPSA-N 1 0 444.443 5.167 40 0 IKABRO CCOc1ccc(-c2cn3c(ccc4ccccc43)[n+]2-c2cccc(C(F)(F)F)c2)cc1 ZINC000026441550 568877600 /nfs/dbraw/zinc/87/76/00/568877600.db2.gz ZWUKBOMVIRGZGB-UHFFFAOYSA-N 1 0 433.453 6.454 40 0 IKABRO Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC000103796937 568899550 /nfs/dbraw/zinc/89/95/50/568899550.db2.gz UMEWCIAJSNIUJY-VIICAESSSA-N 1 0 449.615 5.357 40 0 IKABRO c1cc2n(c1)-c1ccccc1N[C@@]21CCC[N@@H+](CCC(c2ccccc2)c2ccccc2)C1 ZINC000013564191 568904992 /nfs/dbraw/zinc/90/49/92/568904992.db2.gz COJUZJPGFKPJMQ-SSEXGKCCSA-N 1 0 433.599 6.416 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c1C ZINC000002546538 569097468 /nfs/dbraw/zinc/09/74/68/569097468.db2.gz WRJCAZWZHRAVKZ-DEOSSOPVSA-N 1 0 436.596 6.578 40 0 IKABRO COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000002546477 569097472 /nfs/dbraw/zinc/09/74/72/569097472.db2.gz LXOIWOFNGLBLAG-RUZDIDTESA-N 1 0 448.632 6.447 40 0 IKABRO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCCCC2)c1 ZINC000002589869 569125136 /nfs/dbraw/zinc/12/51/36/569125136.db2.gz NYSWSIFFJTUCHC-DEOSSOPVSA-N 1 0 434.605 6.201 40 0 IKABRO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000002589871 569125142 /nfs/dbraw/zinc/12/51/42/569125142.db2.gz CIZCPAGYUCMLFA-VWLOTQADSA-N 1 0 448.632 6.447 40 0 IKABRO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCCCC2)c1 ZINC000002589868 569125150 /nfs/dbraw/zinc/12/51/50/569125150.db2.gz NYSWSIFFJTUCHC-XMMPIXPASA-N 1 0 434.605 6.201 40 0 IKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)c1 ZINC000009063078 569219799 /nfs/dbraw/zinc/21/97/99/569219799.db2.gz OKXPUZWZCBKQBJ-UHFFFAOYSA-N 1 0 446.978 5.730 40 0 IKABRO O=C(NCCSCc1cccc(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063389 569220024 /nfs/dbraw/zinc/22/00/24/569220024.db2.gz ZRBGEXYRRJTPMG-UHFFFAOYSA-N 1 0 437.436 5.255 40 0 IKABRO C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000010363706 569223807 /nfs/dbraw/zinc/22/38/07/569223807.db2.gz GXWKKFCRNOKEJG-OAQYLSRUSA-N 1 0 441.575 5.416 40 0 IKABRO O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010434098 569224356 /nfs/dbraw/zinc/22/43/56/569224356.db2.gz RONPRRRSUOWSHS-UHFFFAOYSA-N 1 0 437.436 5.643 40 0 IKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019014387 569226140 /nfs/dbraw/zinc/22/61/40/569226140.db2.gz JOEJFBSVOQAJAR-CMTIOCDXSA-N 1 0 431.624 5.635 40 0 IKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019014389 569226154 /nfs/dbraw/zinc/22/61/54/569226154.db2.gz NEXFORKBUORCEF-AMSKCWDJSA-N 1 0 439.603 5.297 40 0 IKABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000019234964 569226161 /nfs/dbraw/zinc/22/61/61/569226161.db2.gz HIXPCWQFYIIFFW-LBNVMWSVSA-N 1 0 427.592 5.092 40 0 IKABRO Cc1ccsc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000019238616 569226447 /nfs/dbraw/zinc/22/64/47/569226447.db2.gz HKPWKVCNGBNTTD-ATIYNZHBSA-N 1 0 433.621 5.154 40 0 IKABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000019577347 569227233 /nfs/dbraw/zinc/22/72/33/569227233.db2.gz BRZXNEAPIYYDAO-SQJMNOBHSA-N 1 0 449.620 5.152 40 0 IKABRO COc1ccc(OCCc2sc([C@]3(O)CCC[N@@H+](C4CCCCC4)CC3)nc2C)cc1 ZINC000019705423 569234264 /nfs/dbraw/zinc/23/42/64/569234264.db2.gz RTUBZMWOSXXHED-VWLOTQADSA-N 1 0 444.641 5.088 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccccc1C ZINC000019713383 569235670 /nfs/dbraw/zinc/23/56/70/569235670.db2.gz UMQVFMDSSVJCHZ-XNMGPUDCSA-N 1 0 436.644 5.325 40 0 IKABRO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019738747 569235900 /nfs/dbraw/zinc/23/59/00/569235900.db2.gz ZWGUCVYAQBWNRD-HSZRJFAPSA-N 1 0 438.584 5.071 40 0 IKABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3cccc(F)c3)CC2)sc1CCOc1ccccc1 ZINC000019738687 569235910 /nfs/dbraw/zinc/23/59/10/569235910.db2.gz CNIMHYJTYMKPTF-RUZDIDTESA-N 1 0 440.584 5.086 40 0 IKABRO O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241809 569241258 /nfs/dbraw/zinc/24/12/58/569241258.db2.gz HLDRAECNZAJJBR-UHFFFAOYSA-N 1 0 435.571 5.410 40 0 IKABRO COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044937105 569249415 /nfs/dbraw/zinc/24/94/15/569249415.db2.gz RSIAANWTGKPVES-XUZZJYLKSA-N 1 0 429.004 5.464 40 0 IKABRO c1coc([C@@H]2[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)C23c2ccccc2-c2ccccc23)c1 ZINC000253588453 569273280 /nfs/dbraw/zinc/27/32/80/569273280.db2.gz DDHXGJCURYWKBG-MJSOWUPRSA-N 1 0 439.558 7.416 40 0 IKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257201816 569275555 /nfs/dbraw/zinc/27/55/55/569275555.db2.gz AJDJIFZTTODFMK-WTNAPCKOSA-N 1 0 440.950 5.256 40 0 IKABRO Cc1ccccc1NC(=O)C(C)(C)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257201731 569275622 /nfs/dbraw/zinc/27/56/22/569275622.db2.gz AIUYPGKWPWPXQL-UHFFFAOYSA-N 1 0 429.568 5.125 40 0 IKABRO CC(=O)N1CCCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@H]21 ZINC000257207178 569275729 /nfs/dbraw/zinc/27/57/29/569275729.db2.gz BGRCWYZGDNWFRR-ZJSXRUAMSA-N 1 0 426.988 5.142 40 0 IKABRO Cc1oc2c(c1C(=O)N1CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C1)CCCC2 ZINC000257204386 569275763 /nfs/dbraw/zinc/27/57/63/569275763.db2.gz AUIGYNRTYIXWPK-QGZVFWFLSA-N 1 0 434.515 5.078 40 0 IKABRO CC(C)(C)C[NH2+][C@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257205387 569275793 /nfs/dbraw/zinc/27/57/93/569275793.db2.gz AYUBXWZGDHGGBS-AUSIDOKSSA-N 1 0 434.455 6.510 40 0 IKABRO FC(F)(F)c1ccc(Cc2ccc(C3CC[NH+](Cc4ccccc4Cl)CC3)nc2)cc1 ZINC000257207971 569275826 /nfs/dbraw/zinc/27/58/26/569275826.db2.gz BKDMEIWUOPNAIJ-UHFFFAOYSA-N 1 0 444.928 6.724 40 0 IKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(F)c3)[NH2+][C@H]2c2ccc(Cl)cc2)n1 ZINC000257222201 569276134 /nfs/dbraw/zinc/27/61/34/569276134.db2.gz DSIYCVIPDREGPU-BVSLBCMMSA-N 1 0 440.950 5.256 40 0 IKABRO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CCOCC3)c2)c1 ZINC000257218711 569276192 /nfs/dbraw/zinc/27/61/92/569276192.db2.gz DEEYZDQDISGNMV-DEOSSOPVSA-N 1 0 448.651 5.300 40 0 IKABRO CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CC[NH+](Cc2ccncc2)CC1 ZINC000257219460 569276218 /nfs/dbraw/zinc/27/62/18/569276218.db2.gz DGWJXSARYOZTAH-UHFFFAOYSA-N 1 0 427.592 5.018 40 0 IKABRO CCOc1ccc(COC)cc1C[N@@H+]1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257219146 569276244 /nfs/dbraw/zinc/27/62/44/569276244.db2.gz DFUMHQMTJLBJAV-DEOSSOPVSA-N 1 0 448.582 5.736 40 0 IKABRO Cc1nc2c(C)cccn2c1C[N@@H+]1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257232491 569276616 /nfs/dbraw/zinc/27/66/16/569276616.db2.gz GLBROZWTOZYZMT-QHCPKHFHSA-N 1 0 428.555 5.456 40 0 IKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@H+](Cc4ccc5c(c4)CC(C)(C)O5)C3)nc2)c1 ZINC000257234360 569276636 /nfs/dbraw/zinc/27/66/36/569276636.db2.gz GTEVURLXOGYNDD-DEOSSOPVSA-N 1 0 442.603 5.774 40 0 IKABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cc3cccc(OC)c3)cn2)c2ccc(F)cc21 ZINC000257237601 569276781 /nfs/dbraw/zinc/27/67/81/569276781.db2.gz HHFSUZPWDDYIEG-HHHXNRCGSA-N 1 0 443.566 6.132 40 0 IKABRO Cc1c(C[N@@H+]2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)oc2ccc(C)cc12 ZINC000257241915 569276859 /nfs/dbraw/zinc/27/68/59/569276859.db2.gz IAFKJXIADCKNDQ-ZJSXRUAMSA-N 1 0 447.623 6.093 40 0 IKABRO Cc1nc(Nc2cccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)sc1C ZINC000257249428 569277052 /nfs/dbraw/zinc/27/70/52/569277052.db2.gz JIHDTKFQODWKOD-QFIPXVFZSA-N 1 0 431.565 5.020 40 0 IKABRO CCCC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257258465 569277319 /nfs/dbraw/zinc/27/73/19/569277319.db2.gz KUAPTIFNGNUZSR-UHFFFAOYSA-N 1 0 440.672 6.181 40 0 IKABRO CCNc1nc(C)c(C(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)s1 ZINC000257255054 569277328 /nfs/dbraw/zinc/27/73/28/569277328.db2.gz KFXDQBAPHSUQDC-MRXNPFEDSA-N 1 0 439.560 5.099 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c2ccccc21 ZINC000257272951 569277625 /nfs/dbraw/zinc/27/76/25/569277625.db2.gz NEOPVZPRQGBNKS-SANMLTNESA-N 1 0 449.520 6.520 40 0 IKABRO C[N@H+](CC1CCCCCCC1)C1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 ZINC000257278901 569277750 /nfs/dbraw/zinc/27/77/50/569277750.db2.gz OECZKJYCKNPEOY-UHFFFAOYSA-N 1 0 438.656 5.791 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](Cc2cccnc2)CC1 ZINC000257278510 569277777 /nfs/dbraw/zinc/27/77/77/569277777.db2.gz OCOAAHIKEPLTCY-UHFFFAOYSA-N 1 0 445.582 5.237 40 0 IKABRO CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000257290565 569278239 /nfs/dbraw/zinc/27/82/39/569278239.db2.gz QDLFRILDBSKCHN-UHFFFAOYSA-N 1 0 448.010 5.315 40 0 IKABRO COc1cccc2cc(C[N@@H+]3CC[C@@H](c4c5ccccc5sc4C(=O)N(C)C)C3)oc21 ZINC000257291281 569278250 /nfs/dbraw/zinc/27/82/50/569278250.db2.gz QGIWTMZVNLKQCK-QGZVFWFLSA-N 1 0 434.561 5.347 40 0 IKABRO COCc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)ccc1OC(C)C ZINC000257291553 569278257 /nfs/dbraw/zinc/27/82/57/569278257.db2.gz QHMXNZLCYDDGMS-MHZLTWQESA-N 1 0 448.582 6.082 40 0 IKABRO Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccc3)[C@H]2O)cc1 ZINC000257294337 569278405 /nfs/dbraw/zinc/27/84/05/569278405.db2.gz QTQYQSZTMLUDEC-DGWZTRNLSA-N 1 0 435.539 5.719 40 0 IKABRO COc1cccc(CNc2cc(-c3cnc(C)nc3[C@H]3CCC[N@@H+](C(C)C)C3)ccn2)c1 ZINC000257298440 569278513 /nfs/dbraw/zinc/27/85/13/569278513.db2.gz RLPMILJDCVIRAO-QFIPXVFZSA-N 1 0 431.584 5.056 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000257307302 569278610 /nfs/dbraw/zinc/27/86/10/569278610.db2.gz SYCQDXKMGZADKE-UHFFFAOYSA-N 1 0 445.582 5.237 40 0 IKABRO Cc1cccc(Cc2cncc([C@@H]3CCCN3C(=O)C3(C)CC[NH+](C4CCCC4)CC3)n2)c1 ZINC000257310887 569278864 /nfs/dbraw/zinc/27/88/64/569278864.db2.gz UHAUHIKXYFBEFM-SANMLTNESA-N 1 0 446.639 5.084 40 0 IKABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4ccc(Cc5cccc(F)c5)cn4)C3)ccc2O1 ZINC000257318819 569279082 /nfs/dbraw/zinc/27/90/82/569279082.db2.gz VPNBAEKUHTZFPY-QHCPKHFHSA-N 1 0 430.567 5.905 40 0 IKABRO Fc1ccccc1C[NH+]1CCC(c2cc(Oc3ccccc3)nc(-c3cnccn3)n2)CC1 ZINC000257319372 569279151 /nfs/dbraw/zinc/27/91/51/569279151.db2.gz VSCPGCZGJGBTLC-UHFFFAOYSA-N 1 0 441.510 5.245 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322224 569279218 /nfs/dbraw/zinc/27/92/18/569279218.db2.gz WFCJOGZGQRLQQN-KNQAVFIVSA-N 1 0 431.983 5.522 40 0 IKABRO CCn1ncc(C[NH+]2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c1C ZINC000257324085 569279234 /nfs/dbraw/zinc/27/92/34/569279234.db2.gz WNCHGUDQOSKRAO-UHFFFAOYSA-N 1 0 442.529 5.596 40 0 IKABRO COc1c(C)cccc1C(=O)N1CC[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)[nH+]2)C1 ZINC000257322030 569279327 /nfs/dbraw/zinc/27/93/27/569279327.db2.gz WEHXMKFFNSCHTN-SFHVURJKSA-N 1 0 436.581 5.154 40 0 IKABRO CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000257329129 569279415 /nfs/dbraw/zinc/27/94/15/569279415.db2.gz XIQBOZNKLUWNIS-NRFANRHFSA-N 1 0 445.007 5.202 40 0 IKABRO CC(C)n1c(C[NH+]2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)nc2ccccc21 ZINC000257327858 569279424 /nfs/dbraw/zinc/27/94/24/569279424.db2.gz XDANDSDJUJGPGF-UHFFFAOYSA-N 1 0 442.582 6.122 40 0 IKABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccc2ccccc21 ZINC000257334678 569279524 /nfs/dbraw/zinc/27/95/24/569279524.db2.gz YGYRTBYLHDXKKV-XZZSEQHWSA-N 1 0 439.603 5.324 40 0 IKABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C1)CCC2 ZINC000257332304 569279561 /nfs/dbraw/zinc/27/95/61/569279561.db2.gz XWRUPDSOYWJZHA-DEOSSOPVSA-N 1 0 447.022 6.203 40 0 IKABRO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)C(C)(C)c3ccccc3F)C2)[nH+]1 ZINC000257338380 569279704 /nfs/dbraw/zinc/27/97/04/569279704.db2.gz YXCKWKWBRJWBJI-KRWDZBQOSA-N 1 0 436.506 5.101 40 0 IKABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4ccc(Cc5ccc(Cl)cc5)cn4)C3)ccc2O1 ZINC000257341670 569279815 /nfs/dbraw/zinc/27/98/15/569279815.db2.gz ZLJCORPCPZPWRO-HSZRJFAPSA-N 1 0 447.022 6.419 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000257343160 569279841 /nfs/dbraw/zinc/27/98/41/569279841.db2.gz ZRSQDHMTYJAADT-UHFFFAOYSA-N 1 0 427.592 5.098 40 0 IKABRO CC(C)n1cc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000257339598 569279854 /nfs/dbraw/zinc/27/98/54/569279854.db2.gz ZCKRLWNVEXXKTD-IBGZPJMESA-N 1 0 445.632 6.128 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812378 569281796 /nfs/dbraw/zinc/28/17/96/569281796.db2.gz AVVRMCJSCIGUMF-NVQXNPDNSA-N 1 0 432.649 5.892 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@H]4C)cc3)CCCC2)c1 ZINC000260818172 569281911 /nfs/dbraw/zinc/28/19/11/569281911.db2.gz WLPYOVNXHPVZNT-HSZRJFAPSA-N 1 0 434.624 6.089 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@H](C)C4)cc3)CCCCC2)c1 ZINC000260812394 569281930 /nfs/dbraw/zinc/28/19/30/569281930.db2.gz BARJGMNHPOWWNZ-DEOSSOPVSA-N 1 0 448.651 6.336 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C(C)C ZINC000260934921 569281988 /nfs/dbraw/zinc/28/19/88/569281988.db2.gz NLTIXJDTXBSUFV-FPOVZHCZSA-N 1 0 443.031 5.870 40 0 IKABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260949463 569282043 /nfs/dbraw/zinc/28/20/43/569282043.db2.gz XFEFREDSUKETQO-UKILVPOCSA-N 1 0 425.016 5.698 40 0 IKABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329011416 569285370 /nfs/dbraw/zinc/28/53/70/569285370.db2.gz MEFRMIVNDXAFEJ-UHFFFAOYSA-N 1 0 442.485 5.673 40 0 IKABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329032275 569285400 /nfs/dbraw/zinc/28/54/00/569285400.db2.gz QOKCJMZQPYNTPK-UHFFFAOYSA-N 1 0 434.506 5.806 40 0 IKABRO CCCCCCC1(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009272006 569294967 /nfs/dbraw/zinc/29/49/67/569294967.db2.gz IOJSASXMHFMQDT-UGITZUONSA-N 1 0 434.451 7.353 40 0 IKABRO O=C1[C@@H](C2CC[NH+](Cc3ccc4ncccc4c3)CC2)CC=CCN1Cc1ccccc1 ZINC000019698508 569326845 /nfs/dbraw/zinc/32/68/45/569326845.db2.gz NDDQBASKISVIQB-AREMUKBSSA-N 1 0 425.576 5.052 40 0 IKABRO O=C1[C@H](C2CC[NH+](Cc3cccc4ncccc34)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000019698446 569326958 /nfs/dbraw/zinc/32/69/58/569326958.db2.gz JYGPVYCAGXCNCT-SANMLTNESA-N 1 0 443.566 5.191 40 0 IKABRO C[C@@H](C[NH+]1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1)c1ccccc1 ZINC000019700179 569327175 /nfs/dbraw/zinc/32/71/75/569327175.db2.gz QCFZTLRUEGWSHE-QHCPKHFHSA-N 1 0 441.619 5.265 40 0 IKABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccccc3C)CC2)sc1CCOc1ccccc1 ZINC000019738683 569328238 /nfs/dbraw/zinc/32/82/38/569328238.db2.gz GQVVCNVFICLATI-SANMLTNESA-N 1 0 436.621 5.255 40 0 IKABRO C[C@@H](NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2[nH]1 ZINC000019748827 569328478 /nfs/dbraw/zinc/32/84/78/569328478.db2.gz PWABXRFDUAJKDB-MRXNPFEDSA-N 1 0 444.501 5.061 40 0 IKABRO Brc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCC3)cc1 ZINC000028114071 569407701 /nfs/dbraw/zinc/40/77/01/569407701.db2.gz ZNNLMUXHMANZHW-UHFFFAOYSA-N 1 0 433.167 5.293 40 0 IKABRO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328970850 569583463 /nfs/dbraw/zinc/58/34/63/569583463.db2.gz DMXAJRANNIPMJI-UHFFFAOYSA-N 1 0 442.485 5.673 40 0 IKABRO CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1[NH+](Cc1cccnc1)Cc1cccnc1 ZINC000072320753 291399652 /nfs/dbraw/zinc/39/96/52/291399652.db2.gz LJTBGJXVJBWGNW-SQHAQQRYSA-N 1 0 438.575 5.791 40 0 biogenic,in-vitro IKABRO FC(F)(F)c1cccc(N2CCN(c3c4ccccc4[nH+]c4c3CCCCC4)CC2)c1 ZINC000001699188 132246367 /nfs/dbraw/zinc/24/63/67/132246367.db2.gz NDFHYNGHISPSMD-UHFFFAOYSA-N 1 0 425.498 5.849 40 0 IKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022076252 518630031 /nfs/dbraw/zinc/63/00/31/518630031.db2.gz CQNDTUMINYHVTB-UHFFFAOYSA-N 1 0 444.446 8.030 40 0 IKABRO CCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000022074335 519945000 /nfs/dbraw/zinc/94/50/00/519945000.db2.gz RPWKWUJZMGKXTM-UHFFFAOYSA-N 1 0 447.200 6.233 40 0 IKABRO CCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022074333 519945837 /nfs/dbraw/zinc/94/58/37/519945837.db2.gz ITEIQSKVILGYMA-UHFFFAOYSA-N 1 0 433.173 5.843 40 0 IKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022076279 520706564 /nfs/dbraw/zinc/70/65/64/520706564.db2.gz HLVRORNAYJFHRZ-UHFFFAOYSA-N 1 0 438.439 7.276 40 0 IKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022076321 520709552 /nfs/dbraw/zinc/70/95/52/520709552.db2.gz WJWZFYPGPCPZIL-UHFFFAOYSA-N 1 0 436.423 7.174 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000016688748 520716622 /nfs/dbraw/zinc/71/66/22/520716622.db2.gz WEEAJRVDMBPJNT-UHFFFAOYSA-N 1 0 431.910 5.928 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022076721 520722312 /nfs/dbraw/zinc/72/23/12/520722312.db2.gz FICZABPEEARVQO-UHFFFAOYSA-N 1 0 430.375 6.569 40 0 IKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1Cl ZINC000022516292 521514069 /nfs/dbraw/zinc/51/40/69/521514069.db2.gz KYUXOEINUKBZON-UHFFFAOYSA-N 1 0 448.950 5.327 40 0 IKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196263 522453197 /nfs/dbraw/zinc/45/31/97/522453197.db2.gz QOFBHJYABOLTQF-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000022076717 522465675 /nfs/dbraw/zinc/46/56/75/522465675.db2.gz WZNQMYQMUHYAHJ-UHFFFAOYSA-N 1 0 444.344 5.774 40 0 IKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000022074187 522484581 /nfs/dbraw/zinc/48/45/81/522484581.db2.gz WIFIVMIGEPWVTQ-MRXNPFEDSA-N 1 0 444.344 6.027 40 0 IKABRO C[C@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000022580833 524494526 /nfs/dbraw/zinc/49/45/26/524494526.db2.gz TZTINWHNVDZMRN-IUNZSJPTSA-N 1 0 434.627 6.522 40 0 IKABRO Cc1cc(I)ccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020459340 525013188 /nfs/dbraw/zinc/01/31/88/525013188.db2.gz HVVMQEHLISSRPK-UHFFFAOYSA-N 1 0 448.348 5.084 40 0 IKABRO C[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000035930595 525094820 /nfs/dbraw/zinc/09/48/20/525094820.db2.gz BPODYCZWRPAIBO-UUAGDVGUSA-N 1 0 437.627 7.295 40 0 IKABRO C[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000035930590 525116188 /nfs/dbraw/zinc/11/61/88/525116188.db2.gz BPODYCZWRPAIBO-NPHRAETBSA-N 1 0 437.627 7.295 40 0 IKABRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000022073939 525430843 /nfs/dbraw/zinc/43/08/43/525430843.db2.gz UNFLCGJHGVVIOL-MPVQEXEOSA-N 1 0 444.446 7.267 40 0 IKABRO C[C@H]([NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000022074163 525431555 /nfs/dbraw/zinc/43/15/55/525431555.db2.gz GJLAWZYMGGILIF-INIZCTEOSA-N 1 0 430.773 6.532 40 0 IKABRO Cc1sc(-c2c(-c3ccccc3)c(C)c3n(C)c4ccccc4n23)[n+](-c2ccccc2)c1C ZINC000042682194 525509404 /nfs/dbraw/zinc/50/94/04/525509404.db2.gz XCOVUXSJARBKGQ-UHFFFAOYSA-N 1 0 448.615 6.182 40 0 IKABRO 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 526385587 /nfs/dbraw/zinc/38/55/87/526385587.db2.gz RJSBLMGVGPVIET-OBNJBMLMSA-N 1 0 436.452 5.585 40 0 IKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCCC2)c(Cl)c1 ZINC000022076297 526951933 /nfs/dbraw/zinc/95/19/33/526951933.db2.gz UOQFVTYDYCBVIG-UHFFFAOYSA-N 1 0 442.430 7.928 40 0 IKABRO CC[NH+](CC)c1ccc(N[C@H](c2ccc(Cl)cc2)[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000001669483 555708874 /nfs/dbraw/zinc/70/88/74/555708874.db2.gz ZDSGIPWJEGRVHD-DNQXCXABSA-N 1 0 429.391 6.726 40 0 IKABRO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000408575852 555926328 /nfs/dbraw/zinc/92/63/28/555926328.db2.gz NTKDNTNVNPZYCG-UHFFFAOYSA-N 1 0 442.559 5.454 40 0 IKABRO CCCCC[NH+](CCCCC)CCCNc1c2cccc(OC)c2nc2c1CCCC2 ZINC000004404064 555993362 /nfs/dbraw/zinc/99/33/62/555993362.db2.gz BFUOOBHZNJXDCX-UHFFFAOYSA-N 1 0 425.661 6.607 40 0 IKABRO CCOC(=O)N1CC[NH+](CCCCCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000004429342 555994544 /nfs/dbraw/zinc/99/45/44/555994544.db2.gz HYDXSOBKJZVXML-UHFFFAOYSA-N 1 0 437.795 5.360 40 0 IKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC[NH2+]CCO)[C@@H]3CC[C@]12C ZINC000004743450 556009122 /nfs/dbraw/zinc/00/91/22/556009122.db2.gz GKXLUGLOAOBFQD-KXRRJDDHSA-N 1 0 433.721 6.239 40 0 IKABRO O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004882397 556017560 /nfs/dbraw/zinc/01/75/60/556017560.db2.gz MKAFJNDFSIJRBA-QILAJZQNSA-N 1 0 425.576 6.061 40 0 IKABRO C[NH+](C)C1CCC(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3ccccc32)CC1 ZINC000005085502 556032036 /nfs/dbraw/zinc/03/20/36/556032036.db2.gz RKXWQFYQZDURPK-UHFFFAOYSA-N 1 0 430.383 5.965 40 0 IKABRO O[C@@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccc(Br)cc1 ZINC000006580680 556095749 /nfs/dbraw/zinc/09/57/49/556095749.db2.gz OPABGNABBQROBW-VUNKPPBISA-N 1 0 428.414 5.392 40 0 IKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1 ZINC000008254058 556154604 /nfs/dbraw/zinc/15/46/04/556154604.db2.gz JFEGUVRDGWJXGX-UHFFFAOYSA-N 1 0 426.000 6.232 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl ZINC000008254697 556154835 /nfs/dbraw/zinc/15/48/35/556154835.db2.gz GDUORWPNKBVFAG-UHFFFAOYSA-N 1 0 425.956 5.659 40 0 IKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1Cl ZINC000008254676 556154948 /nfs/dbraw/zinc/15/49/48/556154948.db2.gz INJPZVFJIKSLHV-UHFFFAOYSA-N 1 0 426.000 6.232 40 0 IKABRO C[C@]12CC3CC([NH2+]Cc4c(OCc5ccccc5)ccc5ccccc54)(C1)C[C@@](C)(C3)C2 ZINC000008534501 556187233 /nfs/dbraw/zinc/18/72/33/556187233.db2.gz XXPWLAVNFOKBKC-IIKNGSQCSA-N 1 0 425.616 7.257 40 0 IKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)ccc21 ZINC000008602884 556191015 /nfs/dbraw/zinc/19/10/15/556191015.db2.gz FHGZYZNBVGWNAW-AREMUKBSSA-N 1 0 441.015 6.499 40 0 IKABRO C[C@@H]1[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000008721045 556202801 /nfs/dbraw/zinc/20/28/01/556202801.db2.gz CRQSSISIXUBQTB-QOFKITFHSA-N 1 0 444.377 6.678 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)ccc21 ZINC000039741618 556435297 /nfs/dbraw/zinc/43/52/97/556435297.db2.gz SUNXDRCPSWXLPR-UHFFFAOYSA-N 1 0 445.994 6.319 40 0 IKABRO C[C@@H](NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000039773086 556437747 /nfs/dbraw/zinc/43/77/47/556437747.db2.gz NXVSTIMCRANIIG-OAQYLSRUSA-N 1 0 441.575 5.028 40 0 IKABRO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039773358 556437776 /nfs/dbraw/zinc/43/77/76/556437776.db2.gz HJBXACHOWRVCHA-UHFFFAOYSA-N 1 0 432.995 5.781 40 0 IKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(CSc3ccccc3)cc2)CC1 ZINC000039752791 556438716 /nfs/dbraw/zinc/43/87/16/556438716.db2.gz PRRADXKJSKWRMV-UHFFFAOYSA-N 1 0 430.617 6.138 40 0 IKABRO Cc1cccc2cc(C[N@@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500605 556509607 /nfs/dbraw/zinc/50/96/07/556509607.db2.gz HDZJPZWRVUTDQT-DEOSSOPVSA-N 1 0 448.615 5.080 40 0 IKABRO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000030854486 556509823 /nfs/dbraw/zinc/50/98/23/556509823.db2.gz LIPRDQINGCBFRL-NDEPHWFRSA-N 1 0 442.603 5.771 40 0 IKABRO O=C(Nc1ccc(Br)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030938511 556515628 /nfs/dbraw/zinc/51/56/28/556515628.db2.gz FOIGEMQGQLXXIU-AWEZNQCLSA-N 1 0 425.729 5.092 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)C1 ZINC000030943266 556516593 /nfs/dbraw/zinc/51/65/93/556516593.db2.gz DHRQCJCDPXVPDT-LJQANCHMSA-N 1 0 446.978 6.055 40 0 IKABRO CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000030945241 556516976 /nfs/dbraw/zinc/51/69/76/556516976.db2.gz YGGWKOAFXHPMOS-HXUWFJFHSA-N 1 0 445.994 6.319 40 0 IKABRO C[NH+](C)CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016163132 556587024 /nfs/dbraw/zinc/58/70/24/556587024.db2.gz WBEYCKXQDQJYFE-UHFFFAOYSA-N 1 0 446.216 5.376 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195461 556589806 /nfs/dbraw/zinc/58/98/06/556589806.db2.gz OSGLAQAENNCVLK-UHFFFAOYSA-N 1 0 446.772 5.980 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Br)c1OCc1ccccc1 ZINC000016195716 556590133 /nfs/dbraw/zinc/59/01/33/556590133.db2.gz UCYMLOQWTCWKGW-UHFFFAOYSA-N 1 0 444.344 5.508 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Br)c1OCc1ccccc1 ZINC000016195723 556590134 /nfs/dbraw/zinc/59/01/34/556590134.db2.gz OTTXTFCGKVCYQD-UHFFFAOYSA-N 1 0 446.772 5.980 40 0 IKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl ZINC000016196266 556590409 /nfs/dbraw/zinc/59/04/09/556590409.db2.gz XBLNPRIFZQJLKT-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196253 556590482 /nfs/dbraw/zinc/59/04/82/556590482.db2.gz WZYCDHQOAOPQRI-OAQYLSRUSA-N 1 0 432.347 5.404 40 0 IKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000016196274 556590596 /nfs/dbraw/zinc/59/05/96/556590596.db2.gz ZAOFXCIUYYAANM-UHFFFAOYSA-N 1 0 436.766 6.524 40 0 IKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1c(F)cccc1Cl ZINC000016196287 556590660 /nfs/dbraw/zinc/59/06/60/556590660.db2.gz FHASRLYMDJOVLU-UHFFFAOYSA-N 1 0 438.930 5.880 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016216609 556591929 /nfs/dbraw/zinc/59/19/29/556591929.db2.gz HUZSLCBHDSMFAV-UHFFFAOYSA-N 1 0 444.344 5.508 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000016216618 556591975 /nfs/dbraw/zinc/59/19/75/556591975.db2.gz OSUHNLNKZAPFJA-UHFFFAOYSA-N 1 0 426.354 5.369 40 0 IKABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC ZINC000016227450 556593065 /nfs/dbraw/zinc/59/30/65/556593065.db2.gz FHYKSHAKNFNVMN-UHFFFAOYSA-N 1 0 446.374 5.922 40 0 IKABRO COc1ccc(CC[NH2+]Cc2c(OCc3ccccc3F)ccc3ccccc32)cc1OC ZINC000016227378 556593071 /nfs/dbraw/zinc/59/30/71/556593071.db2.gz JMNHPIDMSDNYGJ-UHFFFAOYSA-N 1 0 445.534 5.907 40 0 IKABRO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccc(Cl)cc1Cl ZINC000016228252 556593514 /nfs/dbraw/zinc/59/35/14/556593514.db2.gz BNQWEMIQEWCZOR-UHFFFAOYSA-N 1 0 434.338 6.052 40 0 IKABRO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228236 556593564 /nfs/dbraw/zinc/59/35/64/556593564.db2.gz DDSJKSACDUPIRZ-OAQYLSRUSA-N 1 0 432.347 5.404 40 0 IKABRO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OCc2ccccc2Cl)cc1OC ZINC000016228276 556593583 /nfs/dbraw/zinc/59/35/83/556593583.db2.gz CEMYEOHQEWPMJL-UHFFFAOYSA-N 1 0 441.955 5.277 40 0 IKABRO Fc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401598 556606003 /nfs/dbraw/zinc/60/60/03/556606003.db2.gz MULWMYQJUHHGJN-UHFFFAOYSA-N 1 0 434.736 6.110 40 0 IKABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000016477265 556610923 /nfs/dbraw/zinc/61/09/23/556610923.db2.gz NPZVVFHZLFFBBW-DEOSSOPVSA-N 1 0 449.392 5.585 40 0 IKABRO Clc1ccc(COc2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2)c(Cl)c1 ZINC000016525350 556614017 /nfs/dbraw/zinc/61/40/17/556614017.db2.gz JOGJLJOUUIIPQG-UHFFFAOYSA-N 1 0 425.359 6.386 40 0 IKABRO C[C@]12CC3CC([NH2+]Cc4cccc(OCc5ccc(Cl)cc5Cl)c4)(C1)C[C@@](C)(C3)C2 ZINC000016606094 556617041 /nfs/dbraw/zinc/61/70/41/556617041.db2.gz ZFBZFWMZBKKWPD-JZHSQQRGSA-N 1 0 444.446 7.411 40 0 IKABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016610302 556617584 /nfs/dbraw/zinc/61/75/84/556617584.db2.gz JLCVZKPRLIOETH-CQSZACIVSA-N 1 0 426.782 5.968 40 0 IKABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016610300 556617587 /nfs/dbraw/zinc/61/75/87/556617587.db2.gz JLCVZKPRLIOETH-AWEZNQCLSA-N 1 0 426.782 5.968 40 0 IKABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCc1ccccc1Cl ZINC000016610312 556617611 /nfs/dbraw/zinc/61/76/11/556617611.db2.gz ZLVSRANMKOCODF-AWEZNQCLSA-N 1 0 426.782 5.968 40 0 IKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000016638535 556619172 /nfs/dbraw/zinc/61/91/72/556619172.db2.gz LURFAUJOKBGXDT-UHFFFAOYSA-N 1 0 430.803 6.904 40 0 IKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000016638154 556619184 /nfs/dbraw/zinc/61/91/84/556619184.db2.gz XCYZXOQLHDBFHJ-UHFFFAOYSA-N 1 0 438.381 6.236 40 0 IKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000016638523 556619286 /nfs/dbraw/zinc/61/92/86/556619286.db2.gz WUPNHQCKJJZVRZ-UHFFFAOYSA-N 1 0 426.782 5.970 40 0 IKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000016638175 556619290 /nfs/dbraw/zinc/61/92/90/556619290.db2.gz DRZUBSPFNICNNO-UHFFFAOYSA-N 1 0 444.830 7.294 40 0 IKABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833080 556622109 /nfs/dbraw/zinc/62/21/09/556622109.db2.gz LTBQCGCJLNACIW-RUZDIDTESA-N 1 0 432.995 5.781 40 0 IKABRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833081 556622204 /nfs/dbraw/zinc/62/22/04/556622204.db2.gz LTBQCGCJLNACIW-VWLOTQADSA-N 1 0 432.995 5.781 40 0 IKABRO O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038837550 556623686 /nfs/dbraw/zinc/62/36/86/556623686.db2.gz NKRRUGZOWKZYTQ-IBGZPJMESA-N 1 0 437.436 5.255 40 0 IKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038850636 556624685 /nfs/dbraw/zinc/62/46/85/556624685.db2.gz AJMSKNCBUMLIGH-QFIPXVFZSA-N 1 0 434.967 5.770 40 0 IKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)CC1 ZINC000038854602 556625420 /nfs/dbraw/zinc/62/54/20/556625420.db2.gz JTIKIZNJZGRJDS-UHFFFAOYSA-N 1 0 433.596 5.233 40 0 IKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)C1 ZINC000038854605 556625460 /nfs/dbraw/zinc/62/54/60/556625460.db2.gz PFEMSPRRYRPOBM-HXUWFJFHSA-N 1 0 433.596 5.233 40 0 IKABRO COC(=O)c1c2c(sc1NC(=O)c1ccc(C[NH+]3CCCCCC3)cc1)CCCC2 ZINC000038857970 556626080 /nfs/dbraw/zinc/62/60/80/556626080.db2.gz QIWDQEYCHSQEGR-UHFFFAOYSA-N 1 0 426.582 5.042 40 0 IKABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688696 556626692 /nfs/dbraw/zinc/62/66/92/556626692.db2.gz CBSBJVQYQYCGCF-UHFFFAOYSA-N 1 0 430.375 6.303 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000016688733 556626706 /nfs/dbraw/zinc/62/67/06/556626706.db2.gz YCYDTVIMSUVQGK-UHFFFAOYSA-N 1 0 444.344 5.856 40 0 IKABRO CCOc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688569 556626719 /nfs/dbraw/zinc/62/67/19/556626719.db2.gz LDODLDUNHHLLKG-UHFFFAOYSA-N 1 0 445.818 5.666 40 0 IKABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689156 556627082 /nfs/dbraw/zinc/62/70/82/556627082.db2.gz BAFYWUQNNYEWAK-UHFFFAOYSA-N 1 0 434.338 6.400 40 0 IKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000017101842 556666290 /nfs/dbraw/zinc/66/62/90/556666290.db2.gz CYWVQCVAJRBMNW-UHFFFAOYSA-N 1 0 437.996 5.606 40 0 IKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044855379 556671706 /nfs/dbraw/zinc/67/17/06/556671706.db2.gz OSQBIMJNFHSKLU-QFIPXVFZSA-N 1 0 426.988 5.279 40 0 IKABRO COc1ccc(/C=C(/C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000044857216 556673152 /nfs/dbraw/zinc/67/31/52/556673152.db2.gz MJTBDPDODPFOQX-ZXVVBBHZSA-N 1 0 426.560 5.148 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000044872499 556673415 /nfs/dbraw/zinc/67/34/15/556673415.db2.gz SFLFSQULDVZPST-UHFFFAOYSA-N 1 0 434.967 5.445 40 0 IKABRO O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873415 556673666 /nfs/dbraw/zinc/67/36/66/556673666.db2.gz NUAHPANXEVQBHQ-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000044916146 556681344 /nfs/dbraw/zinc/68/13/44/556681344.db2.gz UOLLWLUQKUSJSY-UHFFFAOYSA-N 1 0 429.004 5.088 40 0 IKABRO CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044916359 556681514 /nfs/dbraw/zinc/68/15/14/556681514.db2.gz WGRBZNSFEIIPEG-JOCHJYFZSA-N 1 0 429.004 5.088 40 0 IKABRO CC1(C)C[C@H](NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c2ccccc2O1 ZINC000044918626 556681988 /nfs/dbraw/zinc/68/19/88/556681988.db2.gz FCJIWEHBZVHTEF-VWLOTQADSA-N 1 0 426.560 5.277 40 0 IKABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000044937259 556682912 /nfs/dbraw/zinc/68/29/12/556682912.db2.gz OAWKOMASGHVCLR-DEOSSOPVSA-N 1 0 429.004 5.464 40 0 IKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(Cl)c1 ZINC000044940189 556683300 /nfs/dbraw/zinc/68/33/00/556683300.db2.gz YBHDXYJXKYOUJJ-UHFFFAOYSA-N 1 0 448.950 5.327 40 0 IKABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000044939767 556683310 /nfs/dbraw/zinc/68/33/10/556683310.db2.gz DLOFIEGWINUIQI-MRXNPFEDSA-N 1 0 435.351 5.021 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081909 556696621 /nfs/dbraw/zinc/69/66/21/556696621.db2.gz WQCKZFODFKODBS-ATIYNZHBSA-N 1 0 449.639 5.519 40 0 IKABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086161 556699636 /nfs/dbraw/zinc/69/96/36/556699636.db2.gz WYNPGCHGDZSXER-NFBKMPQASA-N 1 0 441.641 5.190 40 0 IKABRO C=C1[NH+]=C(SCc2ccc(Cl)cc2Cl)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408991835 556708611 /nfs/dbraw/zinc/70/86/11/556708611.db2.gz RELAPNOGRLKTPE-LJQANCHMSA-N 1 0 435.376 5.764 40 0 IKABRO O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000019293874 556733196 /nfs/dbraw/zinc/73/31/96/556733196.db2.gz BRKUHWDTMSOWMK-DNVJHFABSA-N 1 0 438.543 5.157 40 0 IKABRO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334360 556737841 /nfs/dbraw/zinc/73/78/41/556737841.db2.gz NKIHNIKKZXCIHK-HJOGWXRNSA-N 1 0 438.543 5.157 40 0 IKABRO O=C(c1ccc(F)cc1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019343540 556741504 /nfs/dbraw/zinc/74/15/04/556741504.db2.gz VAQVKZQFVWAZSW-YPAWHYETSA-N 1 0 426.582 5.079 40 0 IKABRO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCC[N@@H+]3[C@@H]3CCSC3)nn21 ZINC000019343866 556741792 /nfs/dbraw/zinc/74/17/92/556741792.db2.gz QUDLRRSRMZPSRT-VWNJHIHFSA-N 1 0 428.549 5.247 40 0 IKABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCC[N@@H+]3C[C@@H]3CCOC3)nn21 ZINC000019344168 556742061 /nfs/dbraw/zinc/74/20/61/556742061.db2.gz ZZEZIEAAAHYMJO-WMLDXEAASA-N 1 0 436.503 5.040 40 0 IKABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccccc3F)CC[C@H]21 ZINC000019349201 556744080 /nfs/dbraw/zinc/74/40/80/556744080.db2.gz JYVAYTSSCYMZAR-PQNGQFLHSA-N 1 0 438.543 5.157 40 0 IKABRO O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@H]21 ZINC000019349209 556744101 /nfs/dbraw/zinc/74/41/01/556744101.db2.gz QBQPPRCDWFRRLZ-MQSCRBSSSA-N 1 0 438.543 5.157 40 0 IKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019369003 556746886 /nfs/dbraw/zinc/74/68/86/556746886.db2.gz OSFNIQQGIYBVJW-HJOGWXRNSA-N 1 0 437.008 5.532 40 0 IKABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019400697 556753087 /nfs/dbraw/zinc/75/30/87/556753087.db2.gz UPNOWJXQNJEUJY-CJFMBICVSA-N 1 0 427.539 5.010 40 0 IKABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400613 556753124 /nfs/dbraw/zinc/75/31/24/556753124.db2.gz FWYNNGDBIOFPQV-SQJMNOBHSA-N 1 0 442.588 5.075 40 0 IKABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1)c1cccs1 ZINC000019400731 556753415 /nfs/dbraw/zinc/75/34/15/556753415.db2.gz LUCARIUSSHTQDA-CJFMBICVSA-N 1 0 442.588 5.075 40 0 IKABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1)c1cccs1 ZINC000019400734 556753428 /nfs/dbraw/zinc/75/34/28/556753428.db2.gz LUCARIUSSHTQDA-CPJSRVTESA-N 1 0 442.588 5.075 40 0 IKABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000019401698 556753886 /nfs/dbraw/zinc/75/38/86/556753886.db2.gz UXUNIZPJHPCJDN-FQEVSTJZSA-N 1 0 440.526 5.196 40 0 IKABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402662 556754196 /nfs/dbraw/zinc/75/41/96/556754196.db2.gz NVEUZSABFSVOCN-IGKIAQTJSA-N 1 0 440.591 5.013 40 0 IKABRO C[C@@H](Cc1cccs1)C(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC(C)(C)C)CC1 ZINC000019457126 556765845 /nfs/dbraw/zinc/76/58/45/556765845.db2.gz QDLZMQBAZWKAQL-INIZCTEOSA-N 1 0 442.604 5.330 40 0 IKABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccccc2OCc2ccccn2)CC(C)(C)[NH2+]1 ZINC000019461047 556767506 /nfs/dbraw/zinc/76/75/06/556767506.db2.gz XLDSOTWELHUDHQ-UHFFFAOYSA-N 1 0 444.623 5.367 40 0 IKABRO Cc1cc2nc(C3CC[NH+](CC(=O)Nc4ccccc4-c4ccccc4)CC3)[nH]c2cc1C ZINC000001335308 556775989 /nfs/dbraw/zinc/77/59/89/556775989.db2.gz KJPNTMRWSLYVPO-UHFFFAOYSA-N 1 0 438.575 5.665 40 0 IKABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000019522016 556778994 /nfs/dbraw/zinc/77/89/94/556778994.db2.gz MIIHEJJERLABRU-HNNXBMFYSA-N 1 0 449.473 5.201 40 0 IKABRO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@@H+]2Cc2ccc(OC)c(OC)c2)n1 ZINC000019525604 556783245 /nfs/dbraw/zinc/78/32/45/556783245.db2.gz MHZYQRMVNLSUOL-QFIPXVFZSA-N 1 0 432.568 5.236 40 0 IKABRO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2ccc(OC)c(OCC)c2)n1 ZINC000019525607 556783293 /nfs/dbraw/zinc/78/32/93/556783293.db2.gz WJJMZPKOWPTDOX-HSZRJFAPSA-N 1 0 446.595 5.626 40 0 IKABRO CCOc1cc(C[NH+]2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)ccc1OC ZINC000019531934 556792360 /nfs/dbraw/zinc/79/23/60/556792360.db2.gz SGMWWWWVZARXDQ-UHFFFAOYSA-N 1 0 449.473 5.337 40 0 IKABRO CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000059186153 556795305 /nfs/dbraw/zinc/79/53/05/556795305.db2.gz ZNTMVRLFTWRNIM-UHFFFAOYSA-N 1 0 448.010 6.038 40 0 IKABRO COCc1ccc(OC)c(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 ZINC000019565000 556805900 /nfs/dbraw/zinc/80/59/00/556805900.db2.gz NRFUSRCVEGVFJG-UHFFFAOYSA-N 1 0 431.483 5.003 40 0 IKABRO Cc1cc(Oc2ccc(NC(=O)[C@H](C)n3ccnc3C(C)C)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000019570437 556810411 /nfs/dbraw/zinc/81/04/11/556810411.db2.gz KEUDWUGEDZTIGL-IBGZPJMESA-N 1 0 447.583 5.169 40 0 IKABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000063720236 556821450 /nfs/dbraw/zinc/82/14/50/556821450.db2.gz RSUMDFBTCAAZNY-MCKAELPCSA-N 1 0 443.031 5.085 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000006511284 556838137 /nfs/dbraw/zinc/83/81/37/556838137.db2.gz DELSYUIDAZOUJL-UHFFFAOYSA-N 1 0 441.572 5.093 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1 ZINC000006511309 556838152 /nfs/dbraw/zinc/83/81/52/556838152.db2.gz QPQSTQFEFGCFFU-UHFFFAOYSA-N 1 0 441.572 5.337 40 0 IKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000006511303 556838196 /nfs/dbraw/zinc/83/81/96/556838196.db2.gz LYIBOGKIVCZEPH-UHFFFAOYSA-N 1 0 441.572 5.337 40 0 IKABRO C[NH+](C)CCCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 ZINC000006878644 556840189 /nfs/dbraw/zinc/84/01/89/556840189.db2.gz WFHHNSAMVVWVMD-UHFFFAOYSA-N 1 0 444.398 5.171 40 0 IKABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1cc(Cc2ccc(C(F)(F)F)cc2)cc(C)n1 ZINC000019690872 556846863 /nfs/dbraw/zinc/84/68/63/556846863.db2.gz CMTLYJZBWDIATH-HSZRJFAPSA-N 1 0 428.502 5.379 40 0 IKABRO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019691848 556847591 /nfs/dbraw/zinc/84/75/91/556847591.db2.gz GHDBXLSJWSQSCX-UHFFFAOYSA-N 1 0 428.502 5.113 40 0 IKABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019696402 556853372 /nfs/dbraw/zinc/85/33/72/556853372.db2.gz XVBCYNCIZFGILF-HSZRJFAPSA-N 1 0 436.575 5.263 40 0 IKABRO Fc1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)[nH]n2)cc1F ZINC000019703637 556862221 /nfs/dbraw/zinc/86/22/21/556862221.db2.gz RXDBYSLOHRYOAD-RUZDIDTESA-N 1 0 434.490 5.195 40 0 IKABRO COc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408869007 556874073 /nfs/dbraw/zinc/87/40/73/556874073.db2.gz OSFYNUGHXSQNBD-UHFFFAOYSA-N 1 0 448.994 6.056 40 0 IKABRO O=C(Nc1nccs1)c1cc([C@H]2C[N@@H+](C3CCCCCC3)CCO2)nc2ccccc21 ZINC000019754922 556898025 /nfs/dbraw/zinc/89/80/25/556898025.db2.gz WWLLNTMULYQURW-JOCHJYFZSA-N 1 0 436.581 5.040 40 0 IKABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000072330431 556905392 /nfs/dbraw/zinc/90/53/92/556905392.db2.gz BRZXNEAPIYYDAO-BWKNWUBXSA-N 1 0 449.620 5.152 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 ZINC000072330454 556905742 /nfs/dbraw/zinc/90/57/42/556905742.db2.gz VRDNAAHOVQVDHB-DWACAAAGSA-N 1 0 444.623 5.223 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 ZINC000072330455 556905799 /nfs/dbraw/zinc/90/57/99/556905799.db2.gz VRDNAAHOVQVDHB-DFHRPNOPSA-N 1 0 444.623 5.223 40 0 IKABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000072330446 556905957 /nfs/dbraw/zinc/90/59/57/556905957.db2.gz OPUAYHSYFGHNBL-NLFFAJNJSA-N 1 0 427.539 5.010 40 0 IKABRO COc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000072330565 556906497 /nfs/dbraw/zinc/90/64/97/556906497.db2.gz VNGZSACNXGYWPK-SQHAQQRYSA-N 1 0 443.591 5.113 40 0 IKABRO CC(C)n1cc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000072352556 556924500 /nfs/dbraw/zinc/92/45/00/556924500.db2.gz YWGGLNMCNKHRFT-SFHVURJKSA-N 1 0 446.620 5.523 40 0 IKABRO Cc1cccnc1Nc1ccc([C@@H]2CCC[N@H+]2Cc2cc3ccccc3nc2N(C)C)nc1 ZINC000072353096 556925450 /nfs/dbraw/zinc/92/54/50/556925450.db2.gz RHYANFVXJGSIAT-VWLOTQADSA-N 1 0 438.579 5.480 40 0 IKABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1c(C)nn(C(C)C)c1C ZINC000072370490 556935068 /nfs/dbraw/zinc/93/50/68/556935068.db2.gz RXUGEOFHMVEKEL-IBGZPJMESA-N 1 0 438.641 5.252 40 0 IKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371737 556940470 /nfs/dbraw/zinc/94/04/70/556940470.db2.gz YCTMOKFBBYSNIR-IBGZPJMESA-N 1 0 442.007 5.068 40 0 IKABRO CCOc1ccc(CN2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)cc1CO ZINC000072372712 556943849 /nfs/dbraw/zinc/94/38/49/556943849.db2.gz MPOAODRKQATISC-JOCHJYFZSA-N 1 0 438.597 5.127 40 0 IKABRO COCc1ccc(OC)c(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)[nH+]2)c1 ZINC000072372708 556943871 /nfs/dbraw/zinc/94/38/71/556943871.db2.gz UGJZQSWYIMQOQY-QFIPXVFZSA-N 1 0 438.597 5.391 40 0 IKABRO Cc1nc2ccc(C(=O)N3CCC[C@H](c4cc(Nc5ccccn5)cc(C)[nH+]4)C3)cc2s1 ZINC000072374988 556949675 /nfs/dbraw/zinc/94/96/75/556949675.db2.gz GIALTWDGSHXDEX-IBGZPJMESA-N 1 0 443.576 5.467 40 0 IKABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CCCc3ccc(F)c(C)c3)C2)[nH+]1 ZINC000072375045 556950592 /nfs/dbraw/zinc/95/05/92/556950592.db2.gz HXNDUDMDAYDJAP-NRFANRHFSA-N 1 0 447.558 5.100 40 0 IKABRO Cc1cccc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cc4ccccc4nc3N(C)C)n2)n1 ZINC000072375394 556951005 /nfs/dbraw/zinc/95/10/05/556951005.db2.gz ONYSGACANSOWOK-XMMPIXPASA-N 1 0 438.579 5.480 40 0 IKABRO CC(C)Oc1cccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c1 ZINC000072394605 556965912 /nfs/dbraw/zinc/96/59/12/556965912.db2.gz RKKLZKVPZSEXEM-OAQYLSRUSA-N 1 0 429.630 5.046 40 0 IKABRO Cc1ccc([C@H](NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c2ccccc2)cc1 ZINC000020035416 556969935 /nfs/dbraw/zinc/96/99/35/556969935.db2.gz NDPPXKBFISRLEP-SSEXGKCCSA-N 1 0 446.594 6.073 40 0 IKABRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000015931502 556985779 /nfs/dbraw/zinc/98/57/79/556985779.db2.gz XKSWRUYYSKZLQA-AHWVRZQESA-N 1 0 446.978 5.676 40 0 IKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccc(I)cc1 ZINC000408583407 557045216 /nfs/dbraw/zinc/04/52/16/557045216.db2.gz UHXFYFPPHZTAMZ-UHFFFAOYSA-N 1 0 440.369 5.197 40 0 IKABRO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023471937 557093605 /nfs/dbraw/zinc/09/36/05/557093605.db2.gz OPDDWBKGQXFRNL-UHFFFAOYSA-N 1 0 431.791 5.276 40 0 IKABRO Oc1ccc(/C=C\c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1 ZINC000004551916 557142447 /nfs/dbraw/zinc/14/24/47/557142447.db2.gz GRCMPWDXDVUTIZ-QXMHVHEDSA-O 1 0 427.523 8.438 40 0 IKABRO CC1CC[NH+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)CC1 ZINC000216839578 557157406 /nfs/dbraw/zinc/15/74/06/557157406.db2.gz PIBLKQHPEYGUOD-UHFFFAOYSA-N 1 0 432.305 5.331 40 0 IKABRO CC[C@@H]1c2cc(Oc3c(O)c(OC)cc4c3[C@H](CC)N(C)CC4)c(OC)cc2CC[N@@H+]1C ZINC000024717635 557160725 /nfs/dbraw/zinc/16/07/25/557160725.db2.gz BOXBKGGQZPGMRE-UXHICEINSA-N 1 0 440.584 5.080 40 0 IKABRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497296 557169489 /nfs/dbraw/zinc/16/94/89/557169489.db2.gz CYCORSHQQJETLP-MPVQEXEOSA-N 1 0 427.991 6.753 40 0 IKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCc1cccnc1 ZINC000022107443 557177420 /nfs/dbraw/zinc/17/74/20/557177420.db2.gz IYBHGHBSZFABEX-UHFFFAOYSA-N 1 0 427.342 5.030 40 0 IKABRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000408831734 557249149 /nfs/dbraw/zinc/24/91/49/557249149.db2.gz PESZTWFMDBWNKP-UHFFFAOYSA-N 1 0 433.983 5.219 40 0 IKABRO COc1ccc2c(c1)N[C@]1(CCC[N@H+](CCCC(=O)c3ccc(Cl)cc3)C1)c1cccn1-2 ZINC000057719877 557259286 /nfs/dbraw/zinc/25/92/86/557259286.db2.gz JGYUSFPHOWZCBM-SANMLTNESA-N 1 0 449.982 5.519 40 0 IKABRO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774791 557264346 /nfs/dbraw/zinc/26/43/46/557264346.db2.gz MUQTZNFKVHLTEF-AVRDEDQJSA-N 1 0 448.438 6.037 40 0 IKABRO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774800 557264509 /nfs/dbraw/zinc/26/45/09/557264509.db2.gz MUQTZNFKVHLTEF-XMSQKQJNSA-N 1 0 448.438 6.037 40 0 IKABRO CCc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960542 557272399 /nfs/dbraw/zinc/27/23/99/557272399.db2.gz CASCUAZPLAKJRA-UHFFFAOYSA-N 1 0 426.604 6.264 40 0 IKABRO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219959550 557272420 /nfs/dbraw/zinc/27/24/20/557272420.db2.gz VZSPTLGKIBIFPT-UHFFFAOYSA-N 1 0 442.603 5.422 40 0 IKABRO CCSc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219962941 557272708 /nfs/dbraw/zinc/27/27/08/557272708.db2.gz KQOQSXDDOSMIOI-UHFFFAOYSA-N 1 0 444.644 6.506 40 0 IKABRO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101016553 557281429 /nfs/dbraw/zinc/28/14/29/557281429.db2.gz AUYNEYDHGNEHLB-YTMVLYRLSA-N 1 0 438.571 5.408 40 0 IKABRO C[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000102673753 557305097 /nfs/dbraw/zinc/30/50/97/557305097.db2.gz LBMQWGLSKLHDSA-CTZUUEIXSA-N 1 0 445.606 7.163 40 0 IKABRO Cc1ccc2cc(C[N@@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498514 557328113 /nfs/dbraw/zinc/32/81/13/557328113.db2.gz JCZWISKIPZMNGV-XMMPIXPASA-N 1 0 448.615 5.080 40 0 IKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000072215648 557341135 /nfs/dbraw/zinc/34/11/35/557341135.db2.gz NHEHBBNTMXMKSA-DEOSSOPVSA-N 1 0 435.612 6.493 40 0 IKABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215709 557342693 /nfs/dbraw/zinc/34/26/93/557342693.db2.gz CIKQRGSXVBJQNZ-RUZDIDTESA-N 1 0 449.639 6.883 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH+](Cc2ccncc2)CC1 ZINC000072345118 557377371 /nfs/dbraw/zinc/37/73/71/557377371.db2.gz NUILMOPFZYODRP-UHFFFAOYSA-N 1 0 445.582 5.237 40 0 IKABRO CCOc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958740 557381683 /nfs/dbraw/zinc/38/16/83/557381683.db2.gz SNWSVINBUBEXSJ-UHFFFAOYSA-N 1 0 442.603 5.470 40 0 IKABRO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113959111 557381845 /nfs/dbraw/zinc/38/18/45/557381845.db2.gz YFDOSTJHTQUVRT-DEOSSOPVSA-N 1 0 440.631 6.249 40 0 IKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1 ZINC000113958997 557381918 /nfs/dbraw/zinc/38/19/18/557381918.db2.gz TWVTXWMBCDRRNR-LJAQVGFWSA-N 1 0 440.631 6.331 40 0 IKABRO Cn1cc(CCC(=O)N2CCC[C@H]2c2ccc(C[NH2+]C3CCCCC3)cn2)c2ccccc21 ZINC000072355739 557387494 /nfs/dbraw/zinc/38/74/94/557387494.db2.gz QZICSTDDVJKPEC-MHZLTWQESA-N 1 0 444.623 5.292 40 0 IKABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 ZINC000013998233 557402516 /nfs/dbraw/zinc/40/25/16/557402516.db2.gz MHTQWLGQZQJDEI-SVBPBHIXSA-N 1 0 439.555 5.377 40 0 IKABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 ZINC000013998230 557402587 /nfs/dbraw/zinc/40/25/87/557402587.db2.gz MHTQWLGQZQJDEI-KAYWLYCHSA-N 1 0 439.555 5.377 40 0 IKABRO CN(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)(C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118923229 557406344 /nfs/dbraw/zinc/40/63/44/557406344.db2.gz YQHUMJXBHFISTA-WUBRWIEISA-N 1 0 446.720 5.459 40 0 IKABRO COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](SC(N)=[NH2+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923206 557406362 /nfs/dbraw/zinc/40/63/62/557406362.db2.gz CYWAQCFVYPSZRZ-IUZVUQNBSA-N 1 0 448.717 6.230 40 0 IKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118929603 557406863 /nfs/dbraw/zinc/40/68/63/557406863.db2.gz XXQASABQMMKQBU-JBEOXVQGSA-N 1 0 448.759 8.557 40 0 IKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000223103499 557431560 /nfs/dbraw/zinc/43/15/60/557431560.db2.gz FKEGFGNXTHVCCA-RUZDIDTESA-N 1 0 425.016 5.698 40 0 IKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C(C)C ZINC000223349463 557461127 /nfs/dbraw/zinc/46/11/27/557461127.db2.gz GURDBURKLOWALV-IBGZPJMESA-N 1 0 443.031 5.870 40 0 IKABRO CC(C)(C)c1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000223416170 557469530 /nfs/dbraw/zinc/46/95/30/557469530.db2.gz ZPIXICHXZMNMLC-UHFFFAOYSA-N 1 0 442.603 5.351 40 0 IKABRO C[C@@H]([NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000016576103 557474408 /nfs/dbraw/zinc/47/44/08/557474408.db2.gz AMAODTFJDJIGFK-UERHPDGWSA-N 1 0 443.606 7.252 40 0 IKABRO C[C@H]([NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000016576219 557474715 /nfs/dbraw/zinc/47/47/15/557474715.db2.gz ZLMWYHSCJYIZRP-BALBBAFXSA-N 1 0 444.446 7.267 40 0 IKABRO COc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1Cl ZINC000016576212 557474734 /nfs/dbraw/zinc/47/47/34/557474734.db2.gz IHGJLFLSBDDMRD-FVFHPELPSA-N 1 0 440.027 6.622 40 0 IKABRO C[C@H]([NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000016576201 557474759 /nfs/dbraw/zinc/47/47/59/557474759.db2.gz GZSWOTNVJJBDQD-MPVQEXEOSA-N 1 0 444.446 7.267 40 0 IKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCc1ccccc1F ZINC000016688078 557475238 /nfs/dbraw/zinc/47/52/38/557475238.db2.gz YWFUUQSFNYTMGR-UHFFFAOYSA-N 1 0 431.143 5.082 40 0 IKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC([NH+]5CCCC5)=CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923599 557494511 /nfs/dbraw/zinc/49/45/11/557494511.db2.gz RGRNUVRIJBGXEL-LBXNNFBDSA-N 1 0 439.772 8.697 40 0 IKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC([NH+]5CCCC5)=CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923598 557494558 /nfs/dbraw/zinc/49/45/58/557494558.db2.gz RGRNUVRIJBGXEL-FFXLCFESSA-N 1 0 439.772 8.697 40 0 IKABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000019646491 557505178 /nfs/dbraw/zinc/50/51/78/557505178.db2.gz MCUNJFHFOGMTDT-UHFFFAOYSA-N 1 0 447.604 5.234 40 0 IKABRO CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223729952 557506755 /nfs/dbraw/zinc/50/67/55/557506755.db2.gz TZGJOIABHSBGSF-HXUWFJFHSA-N 1 0 429.004 5.045 40 0 IKABRO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223747161 557508595 /nfs/dbraw/zinc/50/85/95/557508595.db2.gz ZKAOQJBAJLOKKK-UHFFFAOYSA-N 1 0 428.576 5.177 40 0 IKABRO CCCCC[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099989 557531171 /nfs/dbraw/zinc/53/11/71/557531171.db2.gz INXGAHHQCIHNOR-HYHZCSIDSA-N 1 0 443.631 6.897 40 0 IKABRO CCCCC[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099983 557531176 /nfs/dbraw/zinc/53/11/76/557531176.db2.gz INXGAHHQCIHNOR-JJILFORISA-N 1 0 443.631 6.897 40 0 IKABRO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000004144005 557531371 /nfs/dbraw/zinc/53/13/71/557531371.db2.gz BTUTYNXWDXRDAN-VGPHUIOHSA-N 1 0 431.576 5.335 40 0 IKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)c(C)c1 ZINC000224066704 557554436 /nfs/dbraw/zinc/55/44/36/557554436.db2.gz LYSIHNLEWZUBKE-SANMLTNESA-N 1 0 428.576 5.443 40 0 IKABRO Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224292570 557586481 /nfs/dbraw/zinc/58/64/81/557586481.db2.gz GLVOZFZPKDPEDS-DNQXCXABSA-N 1 0 425.561 5.061 40 0 IKABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1c1ccc(Cl)cc1 ZINC000224457012 557608402 /nfs/dbraw/zinc/60/84/02/557608402.db2.gz CTVKSMXDDASFJZ-VXKWHMMOSA-N 1 0 431.952 5.098 40 0 IKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224526422 557616626 /nfs/dbraw/zinc/61/66/26/557616626.db2.gz BQPMFGHYDBKAAL-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224534655 557617858 /nfs/dbraw/zinc/61/78/58/557617858.db2.gz UNTPVMCBLSRWIB-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)s2)cc1 ZINC000224569310 557625065 /nfs/dbraw/zinc/62/50/65/557625065.db2.gz JIORMUTXGJQYSZ-UHFFFAOYSA-N 1 0 426.973 5.018 40 0 IKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224687604 557640500 /nfs/dbraw/zinc/64/05/00/557640500.db2.gz JNPGSDZQEWJKBP-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224695927 557641385 /nfs/dbraw/zinc/64/13/85/557641385.db2.gz MVDRMNBNQFBYLH-UHFFFAOYSA-N 1 0 437.436 5.529 40 0 IKABRO Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)cc1 ZINC000224808106 557653819 /nfs/dbraw/zinc/65/38/19/557653819.db2.gz BXFPPNGBLZAONU-UHFFFAOYSA-N 1 0 444.644 6.203 40 0 IKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224841934 557657540 /nfs/dbraw/zinc/65/75/40/557657540.db2.gz GYICETLHRKQQDA-UHFFFAOYSA-N 1 0 448.994 5.835 40 0 IKABRO O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000224969761 557672741 /nfs/dbraw/zinc/67/27/41/557672741.db2.gz OWXIMJRGGUFKNQ-UHFFFAOYSA-N 1 0 426.545 5.016 40 0 IKABRO CCc1nc2ccc(NC(=S)NCCNc3cc(C)[nH+]c4ccc(C)cc34)cc2s1 ZINC000225229404 557702810 /nfs/dbraw/zinc/70/28/10/557702810.db2.gz AHTAHZKFIJZTRT-UHFFFAOYSA-N 1 0 435.622 5.422 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCC(C)CC4)cc3)CCCC2)c1 ZINC000225510267 557732353 /nfs/dbraw/zinc/73/23/53/557732353.db2.gz IALZNKBNNZHUKO-UHFFFAOYSA-N 1 0 434.624 5.946 40 0 IKABRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225516048 557733456 /nfs/dbraw/zinc/73/34/56/557733456.db2.gz AQRPQQBRGHZPTA-OYRHEFFESA-N 1 0 438.587 5.633 40 0 IKABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1 ZINC000225516424 557733708 /nfs/dbraw/zinc/73/37/08/557733708.db2.gz LRAHBFKHZGRDBQ-UHFFFAOYSA-N 1 0 438.587 5.777 40 0 IKABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225516479 557733898 /nfs/dbraw/zinc/73/38/98/557733898.db2.gz AMSIGEYRXNBIMC-OAQYLSRUSA-N 1 0 438.587 5.777 40 0 IKABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225526174 557736327 /nfs/dbraw/zinc/73/63/27/557736327.db2.gz OJJWJGAKEWFSDE-HXUWFJFHSA-N 1 0 441.015 6.044 40 0 IKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCC(C)CC4)cc3)CCCC2)cc1 ZINC000225531484 557737646 /nfs/dbraw/zinc/73/76/46/557737646.db2.gz NJCGQYJRWYJKNT-UHFFFAOYSA-N 1 0 436.596 5.256 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534855 557738017 /nfs/dbraw/zinc/73/80/17/557738017.db2.gz QHNSZMFWMMWQGS-UHFFFAOYSA-N 1 0 434.624 6.172 40 0 IKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCCCC4)cc3)CCCCC2)c1 ZINC000225540386 557738881 /nfs/dbraw/zinc/73/88/81/557738881.db2.gz WNDGVCPWWANDJJ-UHFFFAOYSA-N 1 0 448.651 6.481 40 0 IKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCC(C)CC4)cc3)CCCCC2)cc1 ZINC000225542771 557739275 /nfs/dbraw/zinc/73/92/75/557739275.db2.gz XLCUHFYLHVJGIX-UHFFFAOYSA-N 1 0 448.651 6.336 40 0 IKABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)CC1 ZINC000225547916 557740225 /nfs/dbraw/zinc/74/02/25/557740225.db2.gz XWBBUZRTXDQYNP-UHFFFAOYSA-N 1 0 438.587 5.777 40 0 IKABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 ZINC000225547959 557740242 /nfs/dbraw/zinc/74/02/42/557740242.db2.gz GNQJWYRZNWFYPE-OAQYLSRUSA-N 1 0 438.587 5.777 40 0 IKABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225548037 557740264 /nfs/dbraw/zinc/74/02/64/557740264.db2.gz MXEZUGLFQWWKHI-OAQYLSRUSA-N 1 0 438.587 5.920 40 0 IKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000225548352 557740449 /nfs/dbraw/zinc/74/04/49/557740449.db2.gz ZAWJUXWHWYLXCD-UHFFFAOYSA-N 1 0 438.587 5.921 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000225548208 557740464 /nfs/dbraw/zinc/74/04/64/557740464.db2.gz GRQBCFNBKDLOEF-UHFFFAOYSA-N 1 0 438.587 5.921 40 0 IKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000225550689 557740807 /nfs/dbraw/zinc/74/08/07/557740807.db2.gz PJHBCCNLJBPCFD-UHFFFAOYSA-N 1 0 441.015 6.045 40 0 IKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 ZINC000225554066 557741510 /nfs/dbraw/zinc/74/15/10/557741510.db2.gz QASPORCHIMXLKE-UHFFFAOYSA-N 1 0 443.031 6.291 40 0 IKABRO CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225586403 557747604 /nfs/dbraw/zinc/74/76/04/557747604.db2.gz RESSMLVMTMUXRR-UHFFFAOYSA-N 1 0 446.994 5.229 40 0 IKABRO O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225585904 557747690 /nfs/dbraw/zinc/74/76/90/557747690.db2.gz LXUFRKNKESAVFO-UHFFFAOYSA-N 1 0 430.951 5.651 40 0 IKABRO CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c2ccccc2O1 ZINC000225586029 557747696 /nfs/dbraw/zinc/74/76/96/557747696.db2.gz TWDPCPOJYTWONE-OAQYLSRUSA-N 1 0 430.951 5.110 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225652013 557757262 /nfs/dbraw/zinc/75/72/62/557757262.db2.gz GAMGZEYZJKKICL-SANMLTNESA-N 1 0 432.649 5.892 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225652089 557757325 /nfs/dbraw/zinc/75/73/25/557757325.db2.gz AVVRMCJSCIGUMF-GJZUVCINSA-N 1 0 432.649 5.892 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225659801 557758446 /nfs/dbraw/zinc/75/84/46/557758446.db2.gz FJHKPZGHJRCJRD-JOCHJYFZSA-N 1 0 430.633 5.646 40 0 IKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225663359 557758995 /nfs/dbraw/zinc/75/89/95/557758995.db2.gz VOAURTKTVRYFMO-PIXQIBFHSA-N 1 0 430.633 5.357 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225669241 557760376 /nfs/dbraw/zinc/76/03/76/557760376.db2.gz IAZDKUXGGGFGGT-HCYSDIRSSA-N 1 0 430.633 5.644 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225696123 557765542 /nfs/dbraw/zinc/76/55/42/557765542.db2.gz SBIZTRCUQCYSGO-JOCHJYFZSA-N 1 0 432.649 5.603 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225696299 557765553 /nfs/dbraw/zinc/76/55/53/557765553.db2.gz OOUZXGXLPYGJFA-UHFFFAOYSA-N 1 0 432.649 5.747 40 0 IKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225696628 557765583 /nfs/dbraw/zinc/76/55/83/557765583.db2.gz TYMUSRWLSPECBJ-UHFFFAOYSA-N 1 0 446.676 6.138 40 0 IKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225749944 557772590 /nfs/dbraw/zinc/77/25/90/557772590.db2.gz DNRPOXFTSCKQJT-TVZXLZGTSA-N 1 0 432.649 5.747 40 0 IKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225749997 557772606 /nfs/dbraw/zinc/77/26/06/557772606.db2.gz DNRPOXFTSCKQJT-XLGIIRLISA-N 1 0 432.649 5.747 40 0 IKABRO Cc1ccc(-c2nnc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)s2)cc1 ZINC000225848525 557784856 /nfs/dbraw/zinc/78/48/56/557784856.db2.gz KQLBVLXJAKMOKJ-SFHVURJKSA-N 1 0 426.973 5.018 40 0 IKABRO C[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967351 557829445 /nfs/dbraw/zinc/82/94/45/557829445.db2.gz LBMQWGLSKLHDSA-ZWZQZIPJSA-N 1 0 445.606 7.163 40 0 IKABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](CC4CC4)CC4CC4)C=C3C)nc2c1 ZINC000077262108 560046699 /nfs/dbraw/zinc/04/66/99/560046699.db2.gz BGUVOIVKFOLHMS-LSQMVHIFSA-N 1 0 435.656 6.091 40 0 biogenic,in-vitro IKABRO CC1=C[C@@H](C[NH2+]Cc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883480 560089680 /nfs/dbraw/zinc/08/96/80/560089680.db2.gz RKTMKDPCYSDAAV-FUDKSRODSA-N 1 0 434.559 5.458 40 0 biogenic,in-vitro IKABRO O[C@H](C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1 ZINC000015771325 568822553 /nfs/dbraw/zinc/82/25/53/568822553.db2.gz HIWACAWXLCCNCU-WJOKGBTCSA-N 1 0 428.555 6.709 40 0 IKABRO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@@H+]4Cc4ccc(F)cc4)CC3)oc21 ZINC000585100405 568872780 /nfs/dbraw/zinc/87/27/80/568872780.db2.gz QKXYFNAMQGVOKO-SANMLTNESA-N 1 0 436.527 5.241 40 0 IKABRO C[C@@H](CC[NH+]1CCC(Cc2cccc(-c3cccnc3)c2)(C(N)=O)CC1)c1ccccc1 ZINC000585166492 568872995 /nfs/dbraw/zinc/87/29/95/568872995.db2.gz NRAQHESSIHTZDQ-QFIPXVFZSA-N 1 0 427.592 5.052 40 0 IKABRO CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000585166488 568873012 /nfs/dbraw/zinc/87/30/12/568873012.db2.gz HXRYDSKNLIPHBN-UHFFFAOYSA-N 1 0 427.592 5.098 40 0 IKABRO COCc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4ccc(OC)cc4)cc(C)[nH+]3)C2)cc1 ZINC000585169165 568873163 /nfs/dbraw/zinc/87/31/63/568873163.db2.gz LGDPWEFXTDDUKT-QFIPXVFZSA-N 1 0 445.563 5.308 40 0 IKABRO O=C1C[C@H](c2ccccc2)[C@@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2cccnc2)N1Cc1ccc(F)cc1 ZINC000585261859 568873631 /nfs/dbraw/zinc/87/36/31/568873631.db2.gz YYTPCTSDZWNNNW-ASUDMDKOSA-N 1 0 443.566 5.064 40 0 IKABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+](Cc4c(C)nc5c(C)cccn45)C3)n2)s1 ZINC000585262648 568873877 /nfs/dbraw/zinc/87/38/77/568873877.db2.gz OHNLQDUCCABVGU-LJQANCHMSA-N 1 0 432.597 5.234 40 0 IKABRO FC(F)(F)c1nc(-c2cccc(OC3CCN(c4cc[nH+]c5ccccc54)CC3)c2)no1 ZINC000585266597 568874227 /nfs/dbraw/zinc/87/42/27/568874227.db2.gz INTZUEBSBNGZQR-UHFFFAOYSA-N 1 0 440.425 5.351 40 0 IKABRO FC(F)(F)c1nc(-c2cccc(C3CCN(c4cc[nH+]c5ccccc54)CC3)n2)no1 ZINC000585266734 568874250 /nfs/dbraw/zinc/87/42/50/568874250.db2.gz GNHGUYXPWFQMPH-UHFFFAOYSA-N 1 0 425.414 5.083 40 0 IKABRO CCc1cc([C@@H](c2ccc(OC)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298675 568897500 /nfs/dbraw/zinc/89/75/00/568897500.db2.gz YHWWVGYVURCUCQ-RUZDIDTESA-N 1 0 448.632 6.393 40 0 IKABRO c1cc2n(c1)-c1ccccc1N[C@]21CCC[N@@H+](CCC(c2ccccc2)c2ccccc2)C1 ZINC000013564193 568904912 /nfs/dbraw/zinc/90/49/12/568904912.db2.gz COJUZJPGFKPJMQ-PMERELPUSA-N 1 0 433.599 6.416 40 0 IKABRO CCCCCC(=O)OC[C@@H](O)[C@H](CC(C)C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026897178 568924024 /nfs/dbraw/zinc/92/40/24/568924024.db2.gz QZVFMGPBMKBFFB-IZZNHLLZSA-N 1 0 425.613 5.588 40 0 IKABRO Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)[NH+]2CCCCC2)c(C)c1 ZINC000001720317 569082352 /nfs/dbraw/zinc/08/23/52/569082352.db2.gz WMVITKWUIQLBGX-WUFINQPMSA-N 1 0 427.588 6.737 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c1C ZINC000002546440 569097397 /nfs/dbraw/zinc/09/73/97/569097397.db2.gz QTYSJIAALFEGPV-XMMPIXPASA-N 1 0 436.596 6.578 40 0 IKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2Cl)[NH+]2CCCCC2)c1C ZINC000002546505 569097414 /nfs/dbraw/zinc/09/74/14/569097414.db2.gz GFAKGLXDDINFCN-QHCPKHFHSA-N 1 0 439.024 6.846 40 0 IKABRO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000002546367 569097427 /nfs/dbraw/zinc/09/74/27/569097427.db2.gz QWPMCUGLBDHUBC-RUZDIDTESA-N 1 0 448.632 6.447 40 0 IKABRO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000002546370 569097494 /nfs/dbraw/zinc/09/74/94/569097494.db2.gz QWPMCUGLBDHUBC-VWLOTQADSA-N 1 0 448.632 6.447 40 0 IKABRO CCc1cc([C@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551880 569098054 /nfs/dbraw/zinc/09/80/54/569098054.db2.gz JKUJEBHLJVDYIB-DEOSSOPVSA-N 1 0 436.596 6.523 40 0 IKABRO CCc1cc([C@@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551878 569098065 /nfs/dbraw/zinc/09/80/65/569098065.db2.gz JKUJEBHLJVDYIB-XMMPIXPASA-N 1 0 436.596 6.523 40 0 IKABRO CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009062691 569219617 /nfs/dbraw/zinc/21/96/17/569219617.db2.gz UHMRNJKWLQUGCR-UHFFFAOYSA-N 1 0 429.004 5.088 40 0 IKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063213 569219834 /nfs/dbraw/zinc/21/98/34/569219834.db2.gz IYKDJYJPIRQDSO-UHFFFAOYSA-N 1 0 431.285 5.863 40 0 IKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010368026 569224026 /nfs/dbraw/zinc/22/40/26/569224026.db2.gz BHNPFXSWXQMSTH-UHFFFAOYSA-N 1 0 430.617 6.526 40 0 IKABRO Cc1c(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000019220503 569226179 /nfs/dbraw/zinc/22/61/79/569226179.db2.gz ZNZQAZSAOJYLLX-CJFMBICVSA-N 1 0 433.596 5.560 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000019290449 569226277 /nfs/dbraw/zinc/22/62/77/569226277.db2.gz SJVXRBDLXUORKH-UQBPGWFLSA-N 1 0 444.604 5.018 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 ZINC000019290446 569226379 /nfs/dbraw/zinc/22/63/79/569226379.db2.gz VRDNAAHOVQVDHB-SKCUWOTOSA-N 1 0 444.623 5.223 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000019290448 569226402 /nfs/dbraw/zinc/22/64/02/569226402.db2.gz SJVXRBDLXUORKH-KBMIEXCESA-N 1 0 444.604 5.018 40 0 IKABRO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019521356 569226838 /nfs/dbraw/zinc/22/68/38/569226838.db2.gz WKYZAVFTGFUEMZ-KBMIEXCESA-N 1 0 433.596 5.506 40 0 IKABRO CCOc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000019532467 569227073 /nfs/dbraw/zinc/22/70/73/569227073.db2.gz HPMDLLFMLUYPQP-BKMJKUGQSA-N 1 0 449.639 5.085 40 0 IKABRO CCN(C(=O)c1ccc2c(c1)ncn2C(C)C)[C@H]1CCO[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019711785 569235070 /nfs/dbraw/zinc/23/50/70/569235070.db2.gz SCKORKDSYGFCCG-JYFHCDHNSA-N 1 0 448.611 5.061 40 0 IKABRO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@@H+]2Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000019713918 569235789 /nfs/dbraw/zinc/23/57/89/569235789.db2.gz DKEYXBBWCGRPJS-JIMJEQGWSA-N 1 0 434.580 5.001 40 0 IKABRO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1CCOc1ccccc1Cl ZINC000019738745 569235942 /nfs/dbraw/zinc/23/59/42/569235942.db2.gz CVZOKVPATBZNFZ-HSZRJFAPSA-N 1 0 437.049 5.446 40 0 IKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000038834435 569248871 /nfs/dbraw/zinc/24/88/71/569248871.db2.gz DWFJSIVFWQXLCO-UHFFFAOYSA-N 1 0 434.539 6.290 40 0 IKABRO COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044937102 569249404 /nfs/dbraw/zinc/24/94/04/569249404.db2.gz RSIAANWTGKPVES-URXFXBBRSA-N 1 0 429.004 5.464 40 0 IKABRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000107643982 569250754 /nfs/dbraw/zinc/25/07/54/569250754.db2.gz GPTSTGLSTVTOQS-UHFFFAOYSA-N 1 0 430.335 5.258 40 0 IKABRO C=C1[NH+]=C(SCc2ccc(Cl)c(Cl)c2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000107935126 569251784 /nfs/dbraw/zinc/25/17/84/569251784.db2.gz LMRVIGOKDOMJIR-LJQANCHMSA-N 1 0 435.376 5.764 40 0 IKABRO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccccc1)[N@@H+]2Cc1ccccc1 ZINC000245227099 569269439 /nfs/dbraw/zinc/26/94/39/569269439.db2.gz ABUKBCAATVFRLI-MEUOBDGXSA-N 1 0 427.544 5.441 40 0 IKABRO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000253406653 569272326 /nfs/dbraw/zinc/27/23/26/569272326.db2.gz JBYMGGHUFOKKPL-AFXVXQJMSA-N 1 0 433.621 5.154 40 0 IKABRO Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198818 569275437 /nfs/dbraw/zinc/27/54/37/569275437.db2.gz JBYMGGHUFOKKPL-BJESRGMDSA-N 1 0 433.621 5.154 40 0 IKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257201815 569275559 /nfs/dbraw/zinc/27/55/59/569275559.db2.gz AJDJIFZTTODFMK-HSQYWUDLSA-N 1 0 440.950 5.256 40 0 IKABRO Fc1ccccc1O[C@H]1COC2(C1)CC[NH+](Cc1ccccc1OCc1ccccn1)CC2 ZINC000257201122 569275605 /nfs/dbraw/zinc/27/56/05/569275605.db2.gz AGJNXQNNXDLZEK-HSZRJFAPSA-N 1 0 448.538 5.002 40 0 IKABRO CCNC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000257207305 569275668 /nfs/dbraw/zinc/27/56/68/569275668.db2.gz BHDWITOABUCMFQ-UHFFFAOYSA-N 1 0 433.621 5.080 40 0 IKABRO Cc1cccnc1Nc1cccc([C@@H]2CCCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000257206318 569275693 /nfs/dbraw/zinc/27/56/93/569275693.db2.gz BCVSYZZPAXXWIM-OAQYLSRUSA-N 1 0 447.627 5.102 40 0 IKABRO CC(C)(C)C[NH2+][C@@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257205390 569275714 /nfs/dbraw/zinc/27/57/14/569275714.db2.gz AYUBXWZGDHGGBS-XXBNENTESA-N 1 0 434.455 6.510 40 0 IKABRO CC(=O)N(c1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1OC1CCCC1)CC2 ZINC000257204830 569275748 /nfs/dbraw/zinc/27/57/48/569275748.db2.gz AWLRSOHRRLMRTN-RUZDIDTESA-N 1 0 448.607 5.185 40 0 IKABRO CC(C)(C)C[NH2+][C@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257205389 569275786 /nfs/dbraw/zinc/27/57/86/569275786.db2.gz AYUBXWZGDHGGBS-WMZHIEFXSA-N 1 0 434.455 6.510 40 0 IKABRO Cc1nc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)sc1C ZINC000257209753 569275870 /nfs/dbraw/zinc/27/58/70/569275870.db2.gz BRSWJWHSCHTBDB-KRWDZBQOSA-N 1 0 446.580 5.021 40 0 IKABRO Cc1nc(Nc2cc(C)nc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)c2)sc1C ZINC000257217226 569276021 /nfs/dbraw/zinc/27/60/21/569276021.db2.gz CYCXNFBUBHWUKP-DEOSSOPVSA-N 1 0 445.592 5.329 40 0 IKABRO COc1ccccc1CCC(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)CC1 ZINC000257219417 569276130 /nfs/dbraw/zinc/27/61/30/569276130.db2.gz DGSHWUIOIMGIDK-UHFFFAOYSA-N 1 0 444.579 5.184 40 0 IKABRO Cc1cccc(Cc2cncc([C@H]3CCC[N@@H+]3Cc3cccc(OC[C@H]4CCCO4)c3)n2)c1 ZINC000257232874 569276583 /nfs/dbraw/zinc/27/65/83/569276583.db2.gz GMUOGKSIRYFORM-IXCJQBJRSA-N 1 0 443.591 5.271 40 0 IKABRO CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH+](Cc2ccccn2)CC1 ZINC000257233048 569276600 /nfs/dbraw/zinc/27/66/00/569276600.db2.gz GNNACZLGNBSWMU-UHFFFAOYSA-N 1 0 445.582 5.239 40 0 IKABRO Cc1cccc(Cc2cncc([C@@H]3CCC[N@@H+]3Cc3cccc(OC[C@H]4CCCO4)c3)n2)c1 ZINC000257232873 569276609 /nfs/dbraw/zinc/27/66/09/569276609.db2.gz GMUOGKSIRYFORM-IAPPQJPRSA-N 1 0 443.591 5.271 40 0 IKABRO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(Oc4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257234421 569276622 /nfs/dbraw/zinc/27/66/22/569276622.db2.gz GTKZVUQIWLWMCD-RPLLCQBOSA-N 1 0 430.523 5.256 40 0 IKABRO Cc1nc2c(C)cccn2c1C[N@@H+]1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257232490 569276649 /nfs/dbraw/zinc/27/66/49/569276649.db2.gz GLBROZWTOZYZMT-HSZRJFAPSA-N 1 0 428.555 5.456 40 0 IKABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)ccc2O1 ZINC000257233497 569276681 /nfs/dbraw/zinc/27/66/81/569276681.db2.gz GPOBMWHHFQXYQI-NRFANRHFSA-N 1 0 448.557 6.044 40 0 IKABRO CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H]1CCOC2(CC[NH+](C(C)C)CC2)C1 ZINC000257234839 569276687 /nfs/dbraw/zinc/27/66/87/569276687.db2.gz GVHGVVMEKDJGJK-RUZDIDTESA-N 1 0 434.624 5.089 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c2ccccc21 ZINC000257234686 569276695 /nfs/dbraw/zinc/27/66/95/569276695.db2.gz GUQPFSROKGEIQM-QFIPXVFZSA-N 1 0 429.995 6.197 40 0 IKABRO Cc1c(C)n(CCC(=O)N2[C@@H](Cc3ccccc3)C[C@H]3[NH2+]CCCCC[C@@H]32)c2ccccc12 ZINC000257239149 569276737 /nfs/dbraw/zinc/27/67/37/569276737.db2.gz HODGAEQGRGLMKW-YIOBJHAYSA-N 1 0 443.635 5.393 40 0 IKABRO CCNc1nc(C)c(C(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)s1 ZINC000257239662 569276809 /nfs/dbraw/zinc/27/68/09/569276809.db2.gz HQHFNMMTOYPCAN-MRXNPFEDSA-N 1 0 439.560 5.099 40 0 IKABRO COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257249187 569277055 /nfs/dbraw/zinc/27/70/55/569277055.db2.gz JHEYCPPJISXZFF-RBJSKKJNSA-N 1 0 444.550 5.140 40 0 IKABRO CC(C)C(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257250439 569277147 /nfs/dbraw/zinc/27/71/47/569277147.db2.gz JMNWEQUEOCBDRS-UHFFFAOYSA-N 1 0 440.672 6.037 40 0 IKABRO COc1cc(C)c(C[NH+]2CCC(c3cncc(Nc4nc(C)cs4)n3)CC2)c(C)c1C ZINC000257251292 569277174 /nfs/dbraw/zinc/27/71/74/569277174.db2.gz JQDBPKOTIDJOPH-UHFFFAOYSA-N 1 0 437.613 5.299 40 0 IKABRO CCn1cc(C[NH+]2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)cn1 ZINC000257263542 569277457 /nfs/dbraw/zinc/27/74/57/569277457.db2.gz LQKSDIPPUVRVAC-UHFFFAOYSA-N 1 0 428.502 5.287 40 0 IKABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c2ccccc21 ZINC000257272950 569277635 /nfs/dbraw/zinc/27/76/35/569277635.db2.gz NEOPVZPRQGBNKS-AREMUKBSSA-N 1 0 449.520 6.520 40 0 IKABRO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257273254 569277700 /nfs/dbraw/zinc/27/77/00/569277700.db2.gz NFWAFQRZMNZGAN-LBNVMWSVSA-N 1 0 444.550 5.043 40 0 IKABRO COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(OC)c4)cc(C)[nH+]3)C2)cc1 ZINC000257277745 569277814 /nfs/dbraw/zinc/27/78/14/569277814.db2.gz NZETXMPGTQTOMG-JOCHJYFZSA-N 1 0 445.563 5.308 40 0 IKABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)nc2)C1 ZINC000257280120 569277999 /nfs/dbraw/zinc/27/79/99/569277999.db2.gz OJNFSJCVKPWCTD-HXUWFJFHSA-N 1 0 442.588 5.016 40 0 IKABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000257283823 569278011 /nfs/dbraw/zinc/27/80/11/569278011.db2.gz OZZGQCQSADTNOK-UHFFFAOYSA-N 1 0 445.582 5.237 40 0 IKABRO CC1(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)CC[NH+](C2CCCC2)CC1 ZINC000257289429 569278101 /nfs/dbraw/zinc/27/81/01/569278101.db2.gz PYNXGPKMZSITOQ-NRFANRHFSA-N 1 0 448.611 5.020 40 0 IKABRO Cc1ncc(C[NH2+]C[C@H]2CC[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)CC2)s1 ZINC000257288657 569278116 /nfs/dbraw/zinc/27/81/16/569278116.db2.gz PVCCTFPWPMCDSR-WGSAOQKQSA-N 1 0 436.625 5.202 40 0 IKABRO FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCC[N@@H+]3[C@H]3CCSC3)nn21 ZINC000257294438 569278436 /nfs/dbraw/zinc/27/84/36/569278436.db2.gz QUDLRRSRMZPSRT-MKVSYHDVSA-N 1 0 428.549 5.247 40 0 IKABRO COc1cccc(C(=O)N2CC[C@H](c3cc(Nc4ccc(C)cc4)cc(C)[nH+]3)C2)c1OC ZINC000257307160 569278629 /nfs/dbraw/zinc/27/86/29/569278629.db2.gz SXLMXNXKEFSBRE-IBGZPJMESA-N 1 0 431.536 5.089 40 0 IKABRO COc1cccc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)c1OC ZINC000257304480 569278681 /nfs/dbraw/zinc/27/86/81/569278681.db2.gz SLWPIWRKDYQKLR-QGZVFWFLSA-N 1 0 438.593 5.046 40 0 IKABRO COc1cccc(C(=O)N2CC[C@@H](c3cc(Nc4ccc(C)cc4)cc(C)[nH+]3)C2)c1OC ZINC000257307161 569278724 /nfs/dbraw/zinc/27/87/24/569278724.db2.gz SXLMXNXKEFSBRE-LJQANCHMSA-N 1 0 431.536 5.089 40 0 IKABRO Cc1cccc(Cc2cncc([C@H]3CCCN3C(=O)C3(C)CC[NH+](C4CCCC4)CC3)n2)c1 ZINC000257310886 569278830 /nfs/dbraw/zinc/27/88/30/569278830.db2.gz UHAUHIKXYFBEFM-AREMUKBSSA-N 1 0 446.639 5.084 40 0 IKABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2ccc(F)cc2)N1 ZINC000257310952 569278845 /nfs/dbraw/zinc/27/88/45/569278845.db2.gz UHHXMRLYWHHWNY-XTEPFMGCSA-N 1 0 428.551 5.521 40 0 IKABRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)c1C ZINC000257308633 569278870 /nfs/dbraw/zinc/27/88/70/569278870.db2.gz TXMBLKCBOOZFJM-DEOSSOPVSA-N 1 0 443.591 5.161 40 0 IKABRO Cc1ccc(-c2cccc(CC3(C(=O)NCC(C)(C)C[NH+](C)C)CCOCC3)c2)c(C)c1 ZINC000257315415 569278983 /nfs/dbraw/zinc/27/89/83/569278983.db2.gz VBFOZHNZSLYCAP-UHFFFAOYSA-N 1 0 436.640 5.014 40 0 IKABRO Fc1ccccc1O[C@H]1COC2(C1)CC[NH+](Cc1ccccc1OCc1cccnc1)CC2 ZINC000257315038 569278991 /nfs/dbraw/zinc/27/89/91/569278991.db2.gz UZQLWKUPACNDJM-HSZRJFAPSA-N 1 0 448.538 5.002 40 0 IKABRO Cc1c(C(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)oc2c1C(=O)CCC2 ZINC000257317227 569279093 /nfs/dbraw/zinc/27/90/93/569279093.db2.gz VIWVPCYLEQKLLS-QGZVFWFLSA-N 1 0 447.510 5.323 40 0 IKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@H+](Cc4c(C)cc(OC)c(C)c4C)C3)nc2)c1 ZINC000257318908 569279103 /nfs/dbraw/zinc/27/91/03/569279103.db2.gz VPXOIXCFAGBJCL-VWLOTQADSA-N 1 0 444.619 5.994 40 0 IKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cc1 ZINC000257320297 569279116 /nfs/dbraw/zinc/27/91/16/569279116.db2.gz VWCNGAHCFKDSLR-HXUWFJFHSA-N 1 0 435.597 5.237 40 0 IKABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@H]2c2ccccc2F)N1 ZINC000257319803 569279148 /nfs/dbraw/zinc/27/91/48/569279148.db2.gz VUCDJLPDRRVSFC-RPLLCQBOSA-N 1 0 430.523 5.256 40 0 IKABRO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257323711 569279303 /nfs/dbraw/zinc/27/93/03/569279303.db2.gz WLOJFWFQQAKDNT-MRXNPFEDSA-N 1 0 435.568 5.223 40 0 IKABRO CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257328169 569279391 /nfs/dbraw/zinc/27/93/91/569279391.db2.gz XELSBQMEMSPXNV-LADGPHEKSA-N 1 0 440.971 5.193 40 0 IKABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C1)CCC2 ZINC000257324347 569279404 /nfs/dbraw/zinc/27/94/04/569279404.db2.gz WOFYRNRKKXIDJO-XMMPIXPASA-N 1 0 430.567 5.688 40 0 IKABRO COc1cccc(C[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257340301 569279788 /nfs/dbraw/zinc/27/97/88/569279788.db2.gz ZFKGLDNOSBVOEG-QFIPXVFZSA-N 1 0 440.509 6.079 40 0 IKABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4ccc(Cc5ccc(Cl)cc5)cn4)C3)ccc2O1 ZINC000257341671 569279837 /nfs/dbraw/zinc/27/98/37/569279837.db2.gz ZLJCORPCPZPWRO-QHCPKHFHSA-N 1 0 447.022 6.419 40 0 IKABRO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257340569 569279857 /nfs/dbraw/zinc/27/98/57/569279857.db2.gz ZGSNDKLNLIDRLV-KRWDZBQOSA-N 1 0 449.595 5.660 40 0 IKABRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000257343854 569279899 /nfs/dbraw/zinc/27/98/99/569279899.db2.gz ZURGCJOBWCJDOJ-HHHXNRCGSA-N 1 0 441.619 5.289 40 0 IKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814713 569281808 /nfs/dbraw/zinc/28/18/08/569281808.db2.gz MQFVIPBIOGRSAB-QHCPKHFHSA-N 1 0 446.676 5.993 40 0 IKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816955 569281811 /nfs/dbraw/zinc/28/18/11/569281811.db2.gz SOJFYOFWYWWYNK-ATIYNZHBSA-N 1 0 432.649 6.034 40 0 IKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260812504 569281856 /nfs/dbraw/zinc/28/18/56/569281856.db2.gz DNRPOXFTSCKQJT-MCEYFSPLSA-N 1 0 432.649 5.747 40 0 IKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260814447 569281868 /nfs/dbraw/zinc/28/18/68/569281868.db2.gz IAZDKUXGGGFGGT-GUXMJAIHSA-N 1 0 430.633 5.644 40 0 IKABRO CCC1(CC)C[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000260843360 569281924 /nfs/dbraw/zinc/28/19/24/569281924.db2.gz QSSYGAMKRJMJQA-REWPJTCUSA-N 1 0 441.015 5.751 40 0 IKABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328960014 569284982 /nfs/dbraw/zinc/28/49/82/569284982.db2.gz AWGGUNHZHUZKMO-UHFFFAOYSA-N 1 0 437.385 5.537 40 0 IKABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329032883 569285454 /nfs/dbraw/zinc/28/54/54/569285454.db2.gz QQZFGGFQMZLRMC-UHFFFAOYSA-N 1 0 429.406 5.670 40 0 IKABRO CCCCCCC1(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009041946 569293122 /nfs/dbraw/zinc/29/31/22/569293122.db2.gz IOJSASXMHFMQDT-SCQYUHHQSA-N 1 0 434.451 7.353 40 0 IKABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccc(F)cc3)CC2)sc1CCOc1ccccc1 ZINC000019705450 569327452 /nfs/dbraw/zinc/32/74/52/569327452.db2.gz SFGSWXKYYIXOGA-RUZDIDTESA-N 1 0 440.584 5.086 40 0 IKABRO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328967513 569583435 /nfs/dbraw/zinc/58/34/35/569583435.db2.gz CTYPEJPNCJKCAJ-UHFFFAOYSA-N 1 0 429.406 5.670 40 0 IKABRO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328961085 569583485 /nfs/dbraw/zinc/58/34/85/569583485.db2.gz BBJVQHWNEIUUFF-UHFFFAOYSA-N 1 0 429.406 5.670 40 0 IKABRO