smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000022512089 521846893 /nfs/dbraw/zinc/84/68/93/521846893.db2.gz QPZVLOQMAGCGLO-QFIPXVFZSA-N 1 1 440.569 3.350 40 0 IGABMO Cc1cc(-c2cnc(C)nc2C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)on1 ZINC000012127705 526046580 /nfs/dbraw/zinc/04/65/80/526046580.db2.gz WTGNIPPOWJBHGY-UHFFFAOYSA-N 1 1 435.484 3.295 40 0 IGABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843230 526196464 /nfs/dbraw/zinc/19/64/64/526196464.db2.gz XRGXUDGPDOIAIG-FIXDAVPBSA-N 1 1 435.911 3.388 40 0 IGABMO Cn1cccc1[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000021151896 527402684 /nfs/dbraw/zinc/40/26/84/527402684.db2.gz MOKRPGIOHBIRIT-RCZVLFRGSA-N 1 1 442.563 3.294 40 0 IGABMO Cn1cccc1[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000021151896 527402699 /nfs/dbraw/zinc/40/26/99/527402699.db2.gz MOKRPGIOHBIRIT-RCZVLFRGSA-N 1 1 442.563 3.294 40 0 IGABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408544081 555791145 /nfs/dbraw/zinc/79/11/45/555791145.db2.gz GZCUODNAHLTELI-UHFFFAOYSA-N 1 1 435.977 3.008 40 0 IGABMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000034860031 555924917 /nfs/dbraw/zinc/92/49/17/555924917.db2.gz ATPCUYQGOXKMIT-YDGKCNFYSA-N 1 1 442.302 3.425 40 0 IGABMO CC[N@H+]1CC[C@@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@H](C)C1 ZINC000036714054 556599793 /nfs/dbraw/zinc/59/97/93/556599793.db2.gz KSIYVZAIKRPLAT-UYAOXDASSA-N 1 1 435.634 3.207 40 0 IGABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)COc2ccccc2)CC1 ZINC000016681511 556623761 /nfs/dbraw/zinc/62/37/61/556623761.db2.gz JLYWMHBBTJSOCM-UHFFFAOYSA-N 1 1 432.977 3.374 40 0 IGABMO O=C1CCCN1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000257335486 556706291 /nfs/dbraw/zinc/70/62/91/556706291.db2.gz YKIGMBHHWCRKLC-SANMLTNESA-N 1 1 438.568 3.484 40 0 IGABMO COc1c(C)cccc1C[N@H+]1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019236010 556720391 /nfs/dbraw/zinc/72/03/91/556720391.db2.gz CEBBZELIDGYVRT-SFTDATJTSA-N 1 1 437.588 3.088 40 0 IGABMO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019343146 556741065 /nfs/dbraw/zinc/74/10/65/556741065.db2.gz UVTFHIRGCIQWTF-MRXNPFEDSA-N 1 1 426.586 3.081 40 0 IGABMO O=C(C1CCCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343613 556741350 /nfs/dbraw/zinc/74/13/50/556741350.db2.gz PUWRFTIUZDSTDP-KRWDZBQOSA-N 1 1 426.586 3.286 40 0 IGABMO O=C(CCCn1ccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019403593 556754218 /nfs/dbraw/zinc/75/42/18/556754218.db2.gz ZKJDPGMDPBGRMP-OAQYLSRUSA-N 1 1 438.576 3.213 40 0 IGABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)nc2C1 ZINC000019448423 556758047 /nfs/dbraw/zinc/75/80/47/556758047.db2.gz KNMBFSVFPNUKTE-GOSISDBHSA-N 1 1 436.965 3.128 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555552 556798709 /nfs/dbraw/zinc/79/87/09/556798709.db2.gz WUTHUAUABDRREL-PMACEKPBSA-N 1 1 448.567 3.421 40 0 IGABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)Cc3ccc(F)cc3)CC2)n(C)n1 ZINC000019562466 556803793 /nfs/dbraw/zinc/80/37/93/556803793.db2.gz VUJBUUHJWLCZDS-UHFFFAOYSA-N 1 1 427.549 3.314 40 0 IGABMO Cc1cc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)c(C)s1 ZINC000019567999 556808172 /nfs/dbraw/zinc/80/81/72/556808172.db2.gz QMBVEMWBYRFWOT-PMACEKPBSA-N 1 1 427.618 3.495 40 0 IGABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC000060644007 556808224 /nfs/dbraw/zinc/80/82/24/556808224.db2.gz XYVBCRVKVQCIOX-LJQANCHMSA-N 1 1 429.586 3.364 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019570584 556810579 /nfs/dbraw/zinc/81/05/79/556810579.db2.gz JXOSRRATCXOWGX-LJQANCHMSA-N 1 1 436.556 3.255 40 0 IGABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000019577955 556815543 /nfs/dbraw/zinc/81/55/43/556815543.db2.gz YDFLKPXQKGZIFY-AREMUKBSSA-N 1 1 447.583 3.370 40 0 IGABMO COCCc1ncc(C[N@@H+]2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cn1 ZINC000019706925 556865639 /nfs/dbraw/zinc/86/56/39/556865639.db2.gz KLPGZCWIRGEJKJ-NRFANRHFSA-N 1 1 436.604 3.306 40 0 IGABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cn1 ZINC000019706925 556865641 /nfs/dbraw/zinc/86/56/41/556865641.db2.gz KLPGZCWIRGEJKJ-NRFANRHFSA-N 1 1 436.604 3.306 40 0 IGABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2 ZINC000019708499 556869292 /nfs/dbraw/zinc/86/92/92/556869292.db2.gz UHDCOBZUDXEWBS-QGZVFWFLSA-N 1 1 437.588 3.199 40 0 IGABMO COc1ccccc1CN1C(=O)Cc2c1nc([C@H]1CCC[N@H+](C3CCOCC3)C1)nc2C ZINC000019743904 556889160 /nfs/dbraw/zinc/88/91/60/556889160.db2.gz VMXPAOWGPUGOSU-IBGZPJMESA-N 1 1 436.556 3.241 40 0 IGABMO CC(=O)N1CCC[C@H]1c1nc2c(c(NCC3(c4ccccc4)CCOCC3)n1)CC[N@@H+](C)C2 ZINC000019752913 556896506 /nfs/dbraw/zinc/89/65/06/556896506.db2.gz VQPUPSIZCPDSNE-QHCPKHFHSA-N 1 1 449.599 3.308 40 0 IGABMO CC(=O)N1CCC[C@H]1c1nc2c(c(NCC3(c4ccccc4)CCOCC3)n1)CC[N@H+](C)C2 ZINC000019752913 556896509 /nfs/dbraw/zinc/89/65/09/556896509.db2.gz VQPUPSIZCPDSNE-QHCPKHFHSA-N 1 1 449.599 3.308 40 0 IGABMO CC(C)CNC(=O)c1cc([C@@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761380 556904862 /nfs/dbraw/zinc/90/48/62/556904862.db2.gz KMYAXFDTRIEENV-LJQANCHMSA-N 1 1 432.572 3.466 40 0 IGABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019761708 556905194 /nfs/dbraw/zinc/90/51/94/556905194.db2.gz UMBXFHPSJFEXID-LJQANCHMSA-N 1 1 445.567 3.158 40 0 IGABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2C)c1 ZINC000019763422 556908234 /nfs/dbraw/zinc/90/82/34/556908234.db2.gz RJEHJEBZAUCDKG-HXUWFJFHSA-N 1 1 431.540 3.498 40 0 IGABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Nc3cnccn3)cn2)c1 ZINC000072353239 556926023 /nfs/dbraw/zinc/92/60/23/556926023.db2.gz AHLLRFRJRDOPOX-QFIPXVFZSA-N 1 1 432.528 3.419 40 0 IGABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Nc3cnccn3)cn2)c1 ZINC000072353239 556926025 /nfs/dbraw/zinc/92/60/25/556926025.db2.gz AHLLRFRJRDOPOX-QFIPXVFZSA-N 1 1 432.528 3.419 40 0 IGABMO Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072353927 556928643 /nfs/dbraw/zinc/92/86/43/556928643.db2.gz WCOOAUVHVJNTMG-DEOSSOPVSA-N 1 1 448.611 3.193 40 0 IGABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc1 ZINC000072356452 556931295 /nfs/dbraw/zinc/93/12/95/556931295.db2.gz OLWVZVHBGNGYEI-NRFANRHFSA-N 1 1 431.540 3.221 40 0 IGABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000072389477 556959573 /nfs/dbraw/zinc/95/95/73/556959573.db2.gz ASPTVAWBDAJXLR-AWEZNQCLSA-N 1 1 435.454 3.259 40 0 IGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)C[C@H]32)c(OCC)n1 ZINC000072392652 556963941 /nfs/dbraw/zinc/96/39/41/556963941.db2.gz HEQLCMRDJPRRSJ-SMTRDTIPSA-N 1 1 436.556 3.495 40 0 IGABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000020082369 556978979 /nfs/dbraw/zinc/97/89/79/556978979.db2.gz UPMMZHMPCFECTR-NFBKMPQASA-N 1 1 447.587 3.062 40 0 IGABMO CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000257295009 556999949 /nfs/dbraw/zinc/99/99/49/556999949.db2.gz QWPHMSAXUAZNNC-XLIONFOSSA-N 1 1 436.560 3.090 40 0 IGABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000585106343 557039991 /nfs/dbraw/zinc/03/99/91/557039991.db2.gz XVUWQMYDYOZNNW-UXHICEINSA-N 1 1 429.992 3.211 40 0 IGABMO O=C(Cc1ccccc1)NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@@H+]12 ZINC000585110072 557042527 /nfs/dbraw/zinc/04/25/27/557042527.db2.gz DYUWSEUNCOJLGU-RPWUZVMVSA-N 1 1 440.547 3.434 40 0 IGABMO COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5nnsc5C)CCO4)[nH+]cn3c2)cc1 ZINC000585113124 557045135 /nfs/dbraw/zinc/04/51/35/557045135.db2.gz FOPHAYQLOLYNON-IBGZPJMESA-N 1 1 435.509 3.384 40 0 IGABMO CN(c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000409337941 557073149 /nfs/dbraw/zinc/07/31/49/557073149.db2.gz AATRIVKHJNIQSK-UHFFFAOYSA-N 1 1 449.576 3.470 40 0 IGABMO C[N@@H+]1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000585183497 557138885 /nfs/dbraw/zinc/13/88/85/557138885.db2.gz HIOMKSXJYWRNMY-HXUWFJFHSA-N 1 1 445.489 3.229 40 0 IGABMO C[N@H+]1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000585183497 557138888 /nfs/dbraw/zinc/13/88/88/557138888.db2.gz HIOMKSXJYWRNMY-HXUWFJFHSA-N 1 1 445.489 3.229 40 0 IGABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)Nc2ccc(Cl)cc2)CC3)C1=O ZINC000096144087 557171797 /nfs/dbraw/zinc/17/17/97/557171797.db2.gz LCTSNFVFUBKJPE-QHCPKHFHSA-N 1 1 448.995 3.155 40 0 IGABMO CN(Cc1ccccn1)C(=O)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155951 557180335 /nfs/dbraw/zinc/18/03/35/557180335.db2.gz RBNHDJZDFNHNQV-UHFFFAOYSA-N 1 1 440.551 3.324 40 0 IGABMO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000096215663 557183663 /nfs/dbraw/zinc/18/36/63/557183663.db2.gz XTQPFXHNKOHFMU-QHCPKHFHSA-N 1 1 430.570 3.381 40 0 IGABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CN(C(=O)c1cc3ccc(F)cc3[nH]1)CC2 ZINC000585261223 557194557 /nfs/dbraw/zinc/19/45/57/557194557.db2.gz QBFJRDMHGKIGDG-QFZRFWILSA-N 1 1 434.515 3.331 40 0 IGABMO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1 ZINC000057774112 557264095 /nfs/dbraw/zinc/26/40/95/557264095.db2.gz JHIJIEKNFRRMCY-HOYKHHGWSA-N 1 1 427.545 3.205 40 0 IGABMO CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccc(F)cc2)n2ncnc2N1 ZINC000017097975 557480428 /nfs/dbraw/zinc/48/04/28/557480428.db2.gz VPMAFWKXAJWIPU-QFIPXVFZSA-N 1 1 432.503 3.051 40 0 IGABMO COc1ccc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2c1 ZINC000224588296 557627828 /nfs/dbraw/zinc/62/78/28/557627828.db2.gz AKQYBCYDVAFXNI-UHFFFAOYSA-N 1 1 426.538 3.159 40 0 IGABMO CCCn1c2ccc(S(=O)(=O)NCCC[N@H+]3CCCC[C@@H]3CC)cc2sc1=O ZINC000225732585 557770370 /nfs/dbraw/zinc/77/03/70/557770370.db2.gz SQACQSBUXCNRGB-INIZCTEOSA-N 1 1 425.620 3.406 40 0 IGABMO CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@H+](CC(=O)N4CC(=O)Nc5ccccc54)[C@@H]3C[C@@H]21 ZINC000585262340 568616252 /nfs/dbraw/zinc/61/62/52/568616252.db2.gz PPTLZEROOWAYTQ-CDKSPMLISA-N 1 1 447.535 3.363 40 0 IGABMO CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@@H+](CC(=O)N4CC(=O)Nc5ccccc54)[C@@H]3C[C@@H]21 ZINC000585262340 568616256 /nfs/dbraw/zinc/61/62/56/568616256.db2.gz PPTLZEROOWAYTQ-CDKSPMLISA-N 1 1 447.535 3.363 40 0 IGABMO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000057774028 568625988 /nfs/dbraw/zinc/62/59/88/568625988.db2.gz JQVPKKZQZHOCJW-DVECYGJZSA-N 1 1 427.545 3.205 40 0 IGABMO COc1ccc(OC)c(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c1 ZINC000257218757 568673701 /nfs/dbraw/zinc/67/37/01/568673701.db2.gz DEICLGXFSSRBJN-SFHVURJKSA-N 1 1 426.561 3.167 40 0 IGABMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257255452 568691067 /nfs/dbraw/zinc/69/10/67/568691067.db2.gz KHNKKPDTDCMANI-JOCHJYFZSA-N 1 1 447.514 3.318 40 0 IGABMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257255452 568691071 /nfs/dbraw/zinc/69/10/71/568691071.db2.gz KHNKKPDTDCMANI-JOCHJYFZSA-N 1 1 447.514 3.318 40 0 IGABMO Cn1c(=O)c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)nc2n(Cc2ccccc2)c1=O ZINC000257255608 568691135 /nfs/dbraw/zinc/69/11/35/568691135.db2.gz KIEAGZUPDRGDBF-QHCPKHFHSA-N 1 1 441.535 3.266 40 0 IGABMO Cn1c(=O)c2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)nc2n(Cc2ccccc2)c1=O ZINC000257255608 568691139 /nfs/dbraw/zinc/69/11/39/568691139.db2.gz KIEAGZUPDRGDBF-QHCPKHFHSA-N 1 1 441.535 3.266 40 0 IGABMO C[N@@H+](CCC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12)Cc1cccnc1 ZINC000257262861 568694759 /nfs/dbraw/zinc/69/47/59/568694759.db2.gz LNGNOCKUEMUBCD-UMFSSWHCSA-N 1 1 434.584 3.175 40 0 IGABMO CCCn1c2ccc(NC(=O)C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cnccn3)cc2oc1=O ZINC000257274729 568699657 /nfs/dbraw/zinc/69/96/57/568699657.db2.gz NMJQFXCIWLNVOD-DBXWQHBBSA-N 1 1 449.555 3.324 40 0 IGABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)CCn4nccc4C)CCO3)c2)n1 ZINC000257317718 568719184 /nfs/dbraw/zinc/71/91/84/568719184.db2.gz VKWKUEUXUDENPE-LJQANCHMSA-N 1 1 426.546 3.394 40 0 IGABMO Cc1ccc(C(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257328847 568723949 /nfs/dbraw/zinc/72/39/49/568723949.db2.gz XHIYKBRCWFOBSR-MHZLTWQESA-N 1 1 449.595 3.461 40 0 IGABMO Cc1ncsc1C[N@H+]1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123333 568762506 /nfs/dbraw/zinc/76/25/06/568762506.db2.gz AKLRLEFIBGKIBZ-SIKLNZKXSA-N 1 1 440.594 3.305 40 0 IGABMO Cc1ccc(-n2nccc2-c2nc(C(=O)N3CC[NH+](C(C)C)CC3)c3cnccn32)cc1 ZINC000306127554 568764726 /nfs/dbraw/zinc/76/47/26/568764726.db2.gz GBTJTTZZAJZOIS-UHFFFAOYSA-N 1 1 429.528 3.057 40 0 IGABMO CC(C)[NH+]1CCN(C(=O)c2nc(-c3ccn(Cc4ccccn4)c3)n3ccccc23)CC1 ZINC000306139481 568771245 /nfs/dbraw/zinc/77/12/45/568771245.db2.gz SYGOPEYGZDGXET-UHFFFAOYSA-N 1 1 428.540 3.412 40 0 IGABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1[N@H+](Cc3ccoc3)CC[C@]1(c1ccccc1)CC2 ZINC000306141268 568771873 /nfs/dbraw/zinc/77/18/73/568771873.db2.gz VQIJEBGMADOFOU-OFVILXPXSA-N 1 1 431.540 3.312 40 0 IGABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103527602 568897185 /nfs/dbraw/zinc/89/71/85/568897185.db2.gz KAGCDJKHLXHNNM-JSAFQYNZSA-N 1 1 435.911 3.388 40 0 IGABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000248121740 569207188 /nfs/dbraw/zinc/20/71/88/569207188.db2.gz KIQVMJBAZSLZHP-AVRDEDQJSA-N 1 1 445.560 3.185 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)[nH]c(=O)c2C1 ZINC000248126815 569207193 /nfs/dbraw/zinc/20/71/93/569207193.db2.gz HUGXMROWVOQRKB-QUCCMNQESA-N 1 1 448.567 3.421 40 0 IGABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000008369979 569218876 /nfs/dbraw/zinc/21/88/76/569218876.db2.gz RLLZPLLBTGJHDN-UHFFFAOYSA-N 1 1 427.570 3.252 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cc1c(C)noc1C ZINC000019763434 569238086 /nfs/dbraw/zinc/23/80/86/569238086.db2.gz UXOQGPHXRYSVLE-LJQANCHMSA-N 1 1 449.555 3.468 40 0 IGABMO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000009320214 569295401 /nfs/dbraw/zinc/29/54/01/569295401.db2.gz CAJNLWNSIOWMER-GUQHISFFSA-N 1 1 449.938 3.494 40 0 IGABMO CN1CCC([NH+]2CCC(O)(c3csc(CN4CCc5ccccc5C4)n3)CC2)CC1 ZINC000225473877 291356083 /nfs/dbraw/zinc/35/60/83/291356083.db2.gz OTUMYQCRGIVHFN-UHFFFAOYSA-N 1 1 426.630 3.079 40 0 biogenic,in-vitro IGABMO CCCO[C@H]1CCC[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182892 520285944 /nfs/dbraw/zinc/28/59/44/520285944.db2.gz MRKGOBADDWPSRZ-SLFFLAALSA-N 1 1 432.565 3.278 40 0 IGABMO CCCO[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182892 520285950 /nfs/dbraw/zinc/28/59/50/520285950.db2.gz MRKGOBADDWPSRZ-SLFFLAALSA-N 1 1 432.565 3.278 40 0 IGABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000036719273 524765955 /nfs/dbraw/zinc/76/59/55/524765955.db2.gz QSCZLDJPSQOILF-JYFHCDHNSA-N 1 1 438.568 3.257 40 0 IGABMO Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843333 524952595 /nfs/dbraw/zinc/95/25/95/524952595.db2.gz INMYNIWXRXBYHO-ZVVFGRKBSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000038757173 556618738 /nfs/dbraw/zinc/61/87/38/556618738.db2.gz RRMOASPXBWQEKK-UHFFFAOYSA-N 1 1 446.960 3.225 40 0 IGABMO CN1CCC([N@@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4ccc(F)cc4F)ccc2C(=O)N3C)CC1 ZINC000514290153 556626195 /nfs/dbraw/zinc/62/61/95/556626195.db2.gz SVOIUXKGMJDMBT-GGAORHGYSA-N 1 1 427.495 3.243 40 0 biogenic,in-vitro IGABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C3CC[NH+](C)CC3)C[C@H]21 ZINC000514290153 556626196 /nfs/dbraw/zinc/62/61/96/556626196.db2.gz SVOIUXKGMJDMBT-GGAORHGYSA-N 1 1 427.495 3.243 40 0 biogenic,in-vitro IGABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000019086069 556699664 /nfs/dbraw/zinc/69/96/64/556699664.db2.gz QSCZLDJPSQOILF-ZEQKJWHPSA-N 1 1 438.568 3.257 40 0 IGABMO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@](O)(COc2cc(C)c(Cl)c(C)c2)C1 ZINC000257326382 556705219 /nfs/dbraw/zinc/70/52/19/556705219.db2.gz WXAFSKKHLQCKPS-DEOSSOPVSA-N 1 1 446.975 3.488 40 0 IGABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@](O)(COc2cc(C)c(Cl)c(C)c2)C1 ZINC000257326382 556705221 /nfs/dbraw/zinc/70/52/21/556705221.db2.gz WXAFSKKHLQCKPS-DEOSSOPVSA-N 1 1 446.975 3.488 40 0 IGABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCCn2cccn2)cc1 ZINC000257245588 556711045 /nfs/dbraw/zinc/71/10/45/556711045.db2.gz IQFUZIGRUGSILI-OAQYLSRUSA-N 1 1 425.529 3.233 40 0 IGABMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)C[N@@H+](C)Cc2cc(C)ccc2O3)cc1 ZINC000019219495 556714129 /nfs/dbraw/zinc/71/41/29/556714129.db2.gz BSZZJIIIUQHRHU-QHCPKHFHSA-N 1 1 443.569 3.001 40 0 IGABMO O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1 ZINC000019339396 556739391 /nfs/dbraw/zinc/73/93/91/556739391.db2.gz IYLBZVVGKWVUNC-FQEVSTJZSA-N 1 1 435.572 3.010 40 0 IGABMO O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1 ZINC000019339396 556739395 /nfs/dbraw/zinc/73/93/95/556739395.db2.gz IYLBZVVGKWVUNC-FQEVSTJZSA-N 1 1 435.572 3.010 40 0 IGABMO O=C(Cc1ccsc1)N1C[C@@H]2CCCC[N@@H+](Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 ZINC000019341916 556740275 /nfs/dbraw/zinc/74/02/75/556740275.db2.gz YEPGUDKQCGKHRM-FCHUYYIVSA-N 1 1 440.613 3.035 40 0 IGABMO CCn1nc2c(c1C(=O)N1CCC[C@H]1c1nc3c(c(=O)[nH]1)CC[N@H+](C(C)C)C3)CCCC2 ZINC000019524091 556781373 /nfs/dbraw/zinc/78/13/73/556781373.db2.gz KMPIYINPSJWKPV-FQEVSTJZSA-N 1 1 438.576 3.021 40 0 IGABMO CCN1CC[N@H+](Cc2c(C)nn(C)c2OC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527704 556786970 /nfs/dbraw/zinc/78/69/70/556786970.db2.gz PUXDWOBUKPYSDS-JOCHJYFZSA-N 1 1 447.583 3.322 40 0 IGABMO CCN1CC[N@@H+](Cc2c(C)nn(C)c2OC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527704 556786973 /nfs/dbraw/zinc/78/69/73/556786973.db2.gz PUXDWOBUKPYSDS-JOCHJYFZSA-N 1 1 447.583 3.322 40 0 IGABMO CCOc1ccc(C[N@H+]2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019533402 556793350 /nfs/dbraw/zinc/79/33/50/556793350.db2.gz GPZLFRJZPXZARG-FGZHOGPDSA-N 1 1 437.588 3.216 40 0 IGABMO Cc1nn([C@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556137 556798979 /nfs/dbraw/zinc/79/89/79/556798979.db2.gz LSKBLZOGCTWWSS-QVKFZJNVSA-N 1 1 440.592 3.385 40 0 IGABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[nH]c(=O)c2C1 ZINC000019590241 556825394 /nfs/dbraw/zinc/82/53/94/556825394.db2.gz IAZIJRKNKBTROE-OAHLLOKOSA-N 1 1 437.569 3.119 40 0 IGABMO Cc1cccc2cc(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c12 ZINC000006443560 556836415 /nfs/dbraw/zinc/83/64/15/556836415.db2.gz DUYOSFDVNUTGHS-OAQYLSRUSA-N 1 1 436.560 3.337 40 0 IGABMO Cc1cccc2cc(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c12 ZINC000006443560 556836420 /nfs/dbraw/zinc/83/64/20/556836420.db2.gz DUYOSFDVNUTGHS-OAQYLSRUSA-N 1 1 436.560 3.337 40 0 IGABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H](c3ccc(-c4cncnc4)cn3)C2)c1 ZINC000019689259 556843976 /nfs/dbraw/zinc/84/39/76/556843976.db2.gz IKGXQROZECLYHK-OAQYLSRUSA-N 1 1 431.540 3.385 40 0 IGABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H](c3ccc(-c4cncnc4)cn3)C2)c1 ZINC000019689259 556843978 /nfs/dbraw/zinc/84/39/78/556843978.db2.gz IKGXQROZECLYHK-OAQYLSRUSA-N 1 1 431.540 3.385 40 0 IGABMO CCc1[nH+]ccn1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(OC)cc2)CC1 ZINC000019695331 556852202 /nfs/dbraw/zinc/85/22/02/556852202.db2.gz IGXDHUMFMSBOAL-UHFFFAOYSA-N 1 1 448.571 3.383 40 0 IGABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@H+](C)Cc3ccccc3OCC(C)C)cc2)C1 ZINC000019698770 556857792 /nfs/dbraw/zinc/85/77/92/556857792.db2.gz NNKLEWXQEZVXCN-RPWUZVMVSA-N 1 1 437.584 3.401 40 0 IGABMO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CC[N@H+](C)C2 ZINC000019708677 556869810 /nfs/dbraw/zinc/86/98/10/556869810.db2.gz RNDMWRULIRBXNN-HXUWFJFHSA-N 1 1 429.590 3.039 40 0 IGABMO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CC[N@@H+](C)C2 ZINC000019708677 556869814 /nfs/dbraw/zinc/86/98/14/556869814.db2.gz RNDMWRULIRBXNN-HXUWFJFHSA-N 1 1 429.590 3.039 40 0 IGABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)C(C)(C)c1cccc(F)c1)CC2 ZINC000019710309 556872462 /nfs/dbraw/zinc/87/24/62/556872462.db2.gz FOYKCWVZBQBYAT-MRXNPFEDSA-N 1 1 425.552 3.329 40 0 IGABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)Cc4ccccc4)C3)nc3ccccc32)CC1 ZINC000019752989 556896732 /nfs/dbraw/zinc/89/67/32/556896732.db2.gz ABIYGYNYSGVOGB-NRFANRHFSA-N 1 1 442.563 3.181 40 0 IGABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)nc2C)c1 ZINC000019753307 556897203 /nfs/dbraw/zinc/89/72/03/556897203.db2.gz JYQKCXIRCRZWAZ-NRFANRHFSA-N 1 1 431.540 3.498 40 0 IGABMO CNc1ncccc1C[N@H+]1CC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000019757928 556901861 /nfs/dbraw/zinc/90/18/61/556901861.db2.gz DUXBNXCKPKUNKA-FQEVSTJZSA-N 1 1 446.555 3.150 40 0 IGABMO CNc1ncccc1C[N@H+]1CC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000019757926 556901912 /nfs/dbraw/zinc/90/19/12/556901912.db2.gz DUXBNXCKPKUNKA-HXUWFJFHSA-N 1 1 446.555 3.150 40 0 IGABMO O=C(NCCO)c1cc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc2ccccc21 ZINC000019759728 556903657 /nfs/dbraw/zinc/90/36/57/556903657.db2.gz VFTTXNHLWSMYGZ-VWLOTQADSA-N 1 1 442.519 3.079 40 0 IGABMO O=C(NCCO)c1cc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc2ccccc21 ZINC000019759728 556903660 /nfs/dbraw/zinc/90/36/60/556903660.db2.gz VFTTXNHLWSMYGZ-VWLOTQADSA-N 1 1 442.519 3.079 40 0 IGABMO CN(CCO)C(=O)c1cc([C@@H]2CC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)nc2ccccc21 ZINC000019761934 556905836 /nfs/dbraw/zinc/90/58/36/556905836.db2.gz QKJMXRYTNGKHPA-QGZVFWFLSA-N 1 1 435.572 3.309 40 0 IGABMO COC(=O)[C@]1(CC(=O)N(C)C2CCCCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340227 556912109 /nfs/dbraw/zinc/91/21/09/556912109.db2.gz KQUVTVZKLHYKQO-CZSZKKDXSA-N 1 1 444.547 3.472 40 0 IGABMO COC(=O)[C@]1(CC(=O)N(C)C2CCCCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340227 556912113 /nfs/dbraw/zinc/91/21/13/556912113.db2.gz KQUVTVZKLHYKQO-CZSZKKDXSA-N 1 1 444.547 3.472 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340244 556912119 /nfs/dbraw/zinc/91/21/19/556912119.db2.gz JDOCYYZOHHZWOL-MUNBIWSKSA-N 1 1 426.557 3.331 40 0 IGABMO 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438.576 3.282 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCN(C(=O)C5CCCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555558 556798541 /nfs/dbraw/zinc/79/85/41/556798541.db2.gz PWAPWOHWSHSCBY-IBGZPJMESA-N 1 1 436.556 3.255 40 0 IGABMO Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)ccc1F ZINC000019570773 556811093 /nfs/dbraw/zinc/81/10/93/556811093.db2.gz KJBPVTALNJDOMI-FQEVSTJZSA-N 1 1 448.564 3.312 40 0 IGABMO COc1ccccc1OCC(=O)N1CCC(O)(C[N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC000019571366 556811589 /nfs/dbraw/zinc/81/15/89/556811589.db2.gz XJGTYPLHZATFLP-NRFANRHFSA-N 1 1 439.556 3.050 40 0 IGABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)C[N@H+](Cc2ccc(OC)cc2)CCO1 ZINC000019591898 556828018 /nfs/dbraw/zinc/82/80/18/556828018.db2.gz YXULUNDWPXMTLJ-AREMUKBSSA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)C[N@@H+](Cc2ccc(OC)cc2)CCO1 ZINC000019591898 556828019 /nfs/dbraw/zinc/82/80/19/556828019.db2.gz YXULUNDWPXMTLJ-AREMUKBSSA-N 1 1 431.536 3.317 40 0 IGABMO 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CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)c3cccc(F)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708525 556869239 /nfs/dbraw/zinc/86/92/39/556869239.db2.gz ZHHIKNJFXCGKHW-MRXNPFEDSA-N 1 1 425.552 3.329 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)c3cccc(F)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708525 556869240 /nfs/dbraw/zinc/86/92/40/556869240.db2.gz ZHHIKNJFXCGKHW-MRXNPFEDSA-N 1 1 425.552 3.329 40 0 IGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccnn3C)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741334 556883390 /nfs/dbraw/zinc/88/33/90/556883390.db2.gz IVSFGDQCUOMGLC-FQEVSTJZSA-N 1 1 430.556 3.378 40 0 IGABMO Cc1nc([C@H]2CCC[N@H+](Cc3ccnn3C)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741334 556883392 /nfs/dbraw/zinc/88/33/92/556883392.db2.gz IVSFGDQCUOMGLC-FQEVSTJZSA-N 1 1 430.556 3.378 40 0 IGABMO CC(=O)N1CCC([N@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)CC1 ZINC000019741780 556884768 /nfs/dbraw/zinc/88/47/68/556884768.db2.gz OPNYBWMVMVAKPF-OAQYLSRUSA-N 1 1 427.593 3.258 40 0 IGABMO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)CC1 ZINC000019741780 556884772 /nfs/dbraw/zinc/88/47/72/556884772.db2.gz OPNYBWMVMVAKPF-OAQYLSRUSA-N 1 1 427.593 3.258 40 0 IGABMO Cc1noc(C)c1S(=O)(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758895 556902666 /nfs/dbraw/zinc/90/26/66/556902666.db2.gz DBWUJWOHSJYUQA-UHFFFAOYSA-N 1 1 433.578 3.388 40 0 IGABMO COC(=O)[C@@]1(CC(=O)N(C)C2CCCCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340228 556912369 /nfs/dbraw/zinc/91/23/69/556912369.db2.gz KQUVTVZKLHYKQO-TYBLODHISA-N 1 1 444.547 3.472 40 0 IGABMO COC(=O)[C@@]1(CC(=O)N(C)C2CCCCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340228 556912371 /nfs/dbraw/zinc/91/23/71/556912371.db2.gz KQUVTVZKLHYKQO-TYBLODHISA-N 1 1 444.547 3.472 40 0 IGABMO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)COCCN2CCCC2=O)[nH+]1 ZINC000072372639 556943426 /nfs/dbraw/zinc/94/34/26/556943426.db2.gz CTBLHUGTCRSXRY-OAQYLSRUSA-N 1 1 437.544 3.140 40 0 IGABMO 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/nfs/dbraw/zinc/24/38/91/557243891.db2.gz CCGYWHNZMHYQKX-UHFFFAOYSA-N 1 1 437.378 3.463 40 0 IGABMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033714134 557351677 /nfs/dbraw/zinc/35/16/77/557351677.db2.gz DTKIXLBQVYIXOU-PLOUGOBLSA-N 1 1 435.911 3.388 40 0 IGABMO COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000115958519 557393131 /nfs/dbraw/zinc/39/31/31/557393131.db2.gz RFKHJYXRZUZWKT-UHFFFAOYSA-N 1 1 436.331 3.430 40 0 IGABMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223078488 557427226 /nfs/dbraw/zinc/42/72/26/557427226.db2.gz XSNWLELJPAMEQG-UHFFFAOYSA-N 1 1 441.959 3.385 40 0 IGABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2cc1C ZINC000019824335 557508478 /nfs/dbraw/zinc/50/84/78/557508478.db2.gz NWCAWQBJESRMRT-UHFFFAOYSA-N 1 1 444.645 3.200 40 0 IGABMO Cc1ccccc1N(CCCC(=O)NCCC[N@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000224138057 557565483 /nfs/dbraw/zinc/56/54/83/557565483.db2.gz VKNLDBYNTIDCRG-UHFFFAOYSA-N 1 1 443.613 3.106 40 0 IGABMO CSc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1NC(C)=O ZINC000224473302 557610081 /nfs/dbraw/zinc/61/00/81/557610081.db2.gz RAPKLDVECOATDS-UHFFFAOYSA-N 1 1 430.555 3.340 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224544627 557619623 /nfs/dbraw/zinc/61/96/23/557619623.db2.gz ZVBCWSJUXFEJPR-LJQANCHMSA-N 1 1 439.622 3.012 40 0 IGABMO O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224731452 557645017 /nfs/dbraw/zinc/64/50/17/557645017.db2.gz FJLQAMJIESCKGH-UHFFFAOYSA-N 1 1 429.369 3.445 40 0 IGABMO CSc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1NC(=O)C(C)C ZINC000225833307 557782919 /nfs/dbraw/zinc/78/29/19/557782919.db2.gz DENAQAUDQBGDSI-MRXNPFEDSA-N 1 1 427.636 3.403 40 0 IGABMO Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCC4(CCOC4)CC3)C2)s1 ZINC000585109478 568616019 /nfs/dbraw/zinc/61/60/19/568616019.db2.gz SDNOOCOUKCWBAH-AQNXPRMDSA-N 1 1 433.618 3.016 40 0 IGABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1c(C)cc(OC)c(C)c1C)CC2 ZINC000257251522 568689463 /nfs/dbraw/zinc/68/94/63/568689463.db2.gz JRCDHFRKULQFMR-IBGZPJMESA-N 1 1 437.588 3.346 40 0 IGABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1c(C)cc(OC)c(C)c1C)CC2 ZINC000257251522 568689464 /nfs/dbraw/zinc/68/94/64/568689464.db2.gz JRCDHFRKULQFMR-IBGZPJMESA-N 1 1 437.588 3.346 40 0 IGABMO Cc1c(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)cnn1C ZINC000257261034 568693459 /nfs/dbraw/zinc/69/34/59/568693459.db2.gz LFLYGFSXAIYBIA-CFYMNZCRSA-N 1 1 440.588 3.234 40 0 IGABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@@H+]2Cc2ccnc(N3CCOCC3)n2)n1 ZINC000257303090 568712633 /nfs/dbraw/zinc/71/26/33/568712633.db2.gz SFSBFFPKJSXYRM-OAQYLSRUSA-N 1 1 449.534 3.219 40 0 IGABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@H+]2Cc2ccnc(N3CCOCC3)n2)n1 ZINC000257303090 568712637 /nfs/dbraw/zinc/71/26/37/568712637.db2.gz SFSBFFPKJSXYRM-OAQYLSRUSA-N 1 1 449.534 3.219 40 0 IGABMO CCCCC(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257328591 568723686 /nfs/dbraw/zinc/72/36/86/568723686.db2.gz XGIISSBRZFGLNH-DEOSSOPVSA-N 1 1 433.568 3.168 40 0 IGABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136249 568769472 /nfs/dbraw/zinc/76/94/72/568769472.db2.gz POCBJZOMCURPJB-BDYUSTAISA-N 1 1 443.547 3.487 40 0 IGABMO CCc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137484 568770063 /nfs/dbraw/zinc/77/00/63/568770063.db2.gz QXMUHQAWHPXKMZ-VPUSJEBWSA-N 1 1 442.563 3.436 40 0 IGABMO CCc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137482 568770263 /nfs/dbraw/zinc/77/02/63/568770263.db2.gz QXMUHQAWHPXKMZ-AHKZPQOWSA-N 1 1 442.563 3.436 40 0 IGABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000019694780 569229223 /nfs/dbraw/zinc/22/92/23/569229223.db2.gz IINDEGODMIBJBJ-LJQANCHMSA-N 1 1 449.530 3.316 40 0 IGABMO Cc1nn(C)cc1S(=O)(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@H+]2C ZINC000019711730 569234868 /nfs/dbraw/zinc/23/48/68/569234868.db2.gz JWXNYWFNLAVRNR-PUHATCMVSA-N 1 1 430.618 3.367 40 0 IGABMO Cc1noc(C)c1COc1ccc(C[N@H+]2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 ZINC000019763689 569238052 /nfs/dbraw/zinc/23/80/52/569238052.db2.gz OMLTYISUNYSEOJ-IBGZPJMESA-N 1 1 435.528 3.447 40 0 IGABMO CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635401 291355754 /nfs/dbraw/zinc/35/57/54/291355754.db2.gz YESFSJXXGCGTRQ-TYPHKJRUSA-N 1 1 433.556 3.354 40 0 biogenic,in-vitro IGABMO OC1(c2csc(CN3CCOCC3)n2)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000225424064 291363949 /nfs/dbraw/zinc/36/39/49/291363949.db2.gz YTUNMQVGZWKUDK-UHFFFAOYSA-N 1 1 441.519 3.478 40 0 biogenic,in-vitro IGABMO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000036055842 519730660 /nfs/dbraw/zinc/73/06/60/519730660.db2.gz FXWWUJWKYUULRA-TWRVUUBYSA-N 1 1 429.586 3.229 40 0 IGABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000012156478 519827025 /nfs/dbraw/zinc/82/70/25/519827025.db2.gz MAHUYJQPEWKBMT-HSZRJFAPSA-N 1 1 436.556 3.482 40 0 IGABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000012156478 519827026 /nfs/dbraw/zinc/82/70/26/519827026.db2.gz MAHUYJQPEWKBMT-HSZRJFAPSA-N 1 1 436.556 3.482 40 0 IGABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)n2)ccn1 ZINC000035424830 524037949 /nfs/dbraw/zinc/03/79/49/524037949.db2.gz PCOBBCWIRWPDCC-FQEVSTJZSA-N 1 1 437.500 3.452 40 0 biogenic,in-vitro IGABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(NC(C)=O)cc3)n2)ccn1 ZINC000035424830 524037953 /nfs/dbraw/zinc/03/79/53/524037953.db2.gz PCOBBCWIRWPDCC-FQEVSTJZSA-N 1 1 437.500 3.452 40 0 biogenic,in-vitro IGABMO Fc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929606 526418067 /nfs/dbraw/zinc/41/80/67/526418067.db2.gz OFBDONSWYQIHMB-HSZRJFAPSA-N 1 1 432.503 3.361 40 0 IGABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000012117213 527219369 /nfs/dbraw/zinc/21/93/69/527219369.db2.gz APJHMPPSMIMTBO-SFHVURJKSA-N 1 1 431.496 3.394 40 0 IGABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000012117213 527219373 /nfs/dbraw/zinc/21/93/73/527219373.db2.gz APJHMPPSMIMTBO-SFHVURJKSA-N 1 1 431.496 3.394 40 0 IGABMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)CC1 ZINC000408700582 556102903 /nfs/dbraw/zinc/10/29/03/556102903.db2.gz IHEWNBGUQQVRFW-UHFFFAOYSA-N 1 1 433.599 3.011 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000030866575 556512499 /nfs/dbraw/zinc/51/24/99/556512499.db2.gz LQANYVBGMOBLEI-UHFFFAOYSA-N 1 1 448.548 3.416 40 0 IGABMO CNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000015344429 556522223 /nfs/dbraw/zinc/52/22/23/556522223.db2.gz GIRAMKYSRVHIJS-UHFFFAOYSA-N 1 1 449.576 3.142 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000044850009 556670444 /nfs/dbraw/zinc/67/04/44/556670444.db2.gz FCLHDEAPTFNCKG-UHFFFAOYSA-N 1 1 446.960 3.225 40 0 IGABMO COc1ccc(C)cc1C[N@H+]1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019133583 556705021 /nfs/dbraw/zinc/70/50/21/556705021.db2.gz UMULEDJKCNZKJT-SFTDATJTSA-N 1 1 437.588 3.088 40 0 IGABMO O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019333179 556737820 /nfs/dbraw/zinc/73/78/20/556737820.db2.gz ZCANZVRZDWUAHD-SFHVURJKSA-N 1 1 438.547 3.158 40 0 IGABMO O=C(Cc1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019348047 556743605 /nfs/dbraw/zinc/74/36/05/556743605.db2.gz LSHLHBLACLNXNC-GOSISDBHSA-N 1 1 438.547 3.158 40 0 IGABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)OC1 ZINC000575403729 556745906 /nfs/dbraw/zinc/74/59/06/556745906.db2.gz JZXVASXBJXFGIE-JOCHJYFZSA-N 1 1 435.568 3.089 40 0 IGABMO O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccnc1)C2 ZINC000019370762 556748094 /nfs/dbraw/zinc/74/80/94/556748094.db2.gz BLEQBKOHAHHGTQ-QHCPKHFHSA-N 1 1 443.551 3.020 40 0 IGABMO O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccnc1)C2 ZINC000019370762 556748098 /nfs/dbraw/zinc/74/80/98/556748098.db2.gz BLEQBKOHAHHGTQ-QHCPKHFHSA-N 1 1 443.551 3.020 40 0 IGABMO O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019370651 556748144 /nfs/dbraw/zinc/74/81/44/556748144.db2.gz AWJYYSSSFYLBKL-FQEVSTJZSA-N 1 1 434.584 3.409 40 0 IGABMO O=C(Cc1ccsc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019406418 556755031 /nfs/dbraw/zinc/75/50/31/556755031.db2.gz YZPGKWFDVDVWAD-KRWDZBQOSA-N 1 1 426.586 3.081 40 0 IGABMO COc1ccccc1C[N@H+]1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019450128 556761047 /nfs/dbraw/zinc/76/10/47/556761047.db2.gz IKGOFXVTEGMJDS-SFTDATJTSA-N 1 1 437.588 3.216 40 0 IGABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501582 556772923 /nfs/dbraw/zinc/77/29/23/556772923.db2.gz ZWMMPHZPOCLCEG-MRXNPFEDSA-N 1 1 430.499 3.113 40 0 IGABMO CCCO[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](c3cccc(OC)c3)[C@H](c3csnn3)C2)C1 ZINC000019503784 556775317 /nfs/dbraw/zinc/77/53/17/556775317.db2.gz ROPCRYQDCWRYJK-QHAWAJNXSA-N 1 1 444.601 3.147 40 0 IGABMO CCCO[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3cccc(OC)c3)[C@H](c3csnn3)C2)C1 ZINC000019503784 556775320 /nfs/dbraw/zinc/77/53/20/556775320.db2.gz ROPCRYQDCWRYJK-QHAWAJNXSA-N 1 1 444.601 3.147 40 0 IGABMO CCc1[nH+]ccn1CC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(N)=O)C1 ZINC000019523486 556781136 /nfs/dbraw/zinc/78/11/36/556781136.db2.gz SWLXTOQZVNAEPQ-VWLOTQADSA-N 1 1 434.515 3.198 40 0 IGABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](Cc2cncn2C)C1 ZINC000019530075 556791301 /nfs/dbraw/zinc/79/13/01/556791301.db2.gz LBYJGURMPUJQAJ-REWPJTCUSA-N 1 1 428.508 3.288 40 0 IGABMO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccccc4-n4cccn4)C[C@@H]32)c(OCC)n1 ZINC000019531785 556792355 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/nfs/dbraw/zinc/82/13/89/556821389.db2.gz WUVBQCHVFQVCFQ-HJOGWXRNSA-N 1 1 433.531 3.393 40 0 IGABMO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccc(OC)cc3)nc2)cn1 ZINC000019691807 556847415 /nfs/dbraw/zinc/84/74/15/556847415.db2.gz DYYSJRLBGHZLJO-HSZRJFAPSA-N 1 1 445.523 3.287 40 0 IGABMO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[N@H+]3CC(=O)Nc3ccc(OC)cc3)nc2)cn1 ZINC000019691807 556847417 /nfs/dbraw/zinc/84/74/17/556847417.db2.gz DYYSJRLBGHZLJO-HSZRJFAPSA-N 1 1 445.523 3.287 40 0 IGABMO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[N@@H+]3CC(=O)N(C)C3CCCCC3)nc2)cn1 ZINC000019691801 556847458 /nfs/dbraw/zinc/84/74/58/556847458.db2.gz AWODCFKFRWDPLV-HSZRJFAPSA-N 1 1 435.572 3.431 40 0 IGABMO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[N@H+]3CC(=O)N(C)C3CCCCC3)nc2)cn1 ZINC000019691801 556847459 /nfs/dbraw/zinc/84/74/59/556847459.db2.gz AWODCFKFRWDPLV-HSZRJFAPSA-N 1 1 435.572 3.431 40 0 IGABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(C3CCOCC3)c3ccccc13)C(=O)CC2 ZINC000019703390 556861964 /nfs/dbraw/zinc/86/19/64/556861964.db2.gz XCQKCQMLAXNCQK-UHFFFAOYSA-N 1 1 433.556 3.333 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)nc2c1CC[N@H+](C)C2 ZINC000019708792 556870266 /nfs/dbraw/zinc/87/02/66/556870266.db2.gz RLTMSDDUHOJXNI-OAHLLOKOSA-N 1 1 436.535 3.455 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708792 556870270 /nfs/dbraw/zinc/87/02/70/556870270.db2.gz RLTMSDDUHOJXNI-OAHLLOKOSA-N 1 1 436.535 3.455 40 0 IGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(NCCCN(C)c3ccccc3)c2C1 ZINC000019711330 556875729 /nfs/dbraw/zinc/87/57/29/556875729.db2.gz IXHKJUNEHUKDRT-FQEVSTJZSA-N 1 1 436.604 3.129 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)nc2c1CC[N@H+](C)C2 ZINC000019752871 556896405 /nfs/dbraw/zinc/89/64/05/556896405.db2.gz TVDCRMKXIGKZBB-IBGZPJMESA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)nc2c1CC[N@@H+](C)C2 ZINC000019752871 556896409 /nfs/dbraw/zinc/89/64/09/556896409.db2.gz TVDCRMKXIGKZBB-IBGZPJMESA-N 1 1 436.491 3.278 40 0 IGABMO COc1cccc(CNc2cc(CC3CCN(C(=O)c4ccc(N)nc4)CC3)[nH+]c(C)n2)c1 ZINC000019758704 556902424 /nfs/dbraw/zinc/90/24/24/556902424.db2.gz DFPQNGOMDOFVFG-UHFFFAOYSA-N 1 1 446.555 3.478 40 0 IGABMO CC(=O)N1CCC[C@H]1c1nc(C[N@H+](C)Cc2ccccc2N2CCCC2)cc(N(C)C)n1 ZINC000019760331 556903983 /nfs/dbraw/zinc/90/39/83/556903983.db2.gz HLXXSEUNEFYDDJ-QHCPKHFHSA-N 1 1 436.604 3.458 40 0 IGABMO CC(=O)N1CCC[C@H]1c1nc(C[N@@H+](C)Cc2ccccc2N2CCCC2)cc(N(C)C)n1 ZINC000019760331 556903986 /nfs/dbraw/zinc/90/39/86/556903986.db2.gz HLXXSEUNEFYDDJ-QHCPKHFHSA-N 1 1 436.604 3.458 40 0 IGABMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764092 556908686 /nfs/dbraw/zinc/90/86/86/556908686.db2.gz DGPGYNDYOKIYJI-KRWDZBQOSA-N 1 1 432.927 3.430 40 0 IGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764092 556908688 /nfs/dbraw/zinc/90/86/88/556908688.db2.gz DGPGYNDYOKIYJI-KRWDZBQOSA-N 1 1 432.927 3.430 40 0 IGABMO CCC(CC)C(=O)N1CCC[C@@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2cccnc2)C1 ZINC000072338425 556911075 /nfs/dbraw/zinc/91/10/75/556911075.db2.gz ANSMAWICZQQAOW-OAQYLSRUSA-N 1 1 436.604 3.433 40 0 IGABMO C[C@@]1(C2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CCCCN(Cc2ccccc2)C1=O ZINC000072371980 556941593 /nfs/dbraw/zinc/94/15/93/556941593.db2.gz DUKRWGONNSYXKR-SANMLTNESA-N 1 1 441.616 3.166 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000019932565 556949312 /nfs/dbraw/zinc/94/93/12/556949312.db2.gz QWPPFYDIHGWGDC-QHCPKHFHSA-N 1 1 449.661 3.308 40 0 IGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cc(C)c(O)c(C)c4)C[C@H]32)c(OCC)n1 ZINC000072392654 556963963 /nfs/dbraw/zinc/96/39/63/556963963.db2.gz YSDIMBGDEAEIGI-MFSJNOQSSA-N 1 1 427.545 3.326 40 0 IGABMO COc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1CC(O)(Cn1nc(C4CC4)ccc1=O)C3)CCC2 ZINC000072394967 556966365 /nfs/dbraw/zinc/96/63/65/556966365.db2.gz WYFVYHHKDRPTBK-KMXBQNHCSA-N 1 1 435.568 3.176 40 0 IGABMO Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000072398785 556970610 /nfs/dbraw/zinc/97/06/10/556970610.db2.gz LSKBLZOGCTWWSS-YCRPNKLZSA-N 1 1 440.592 3.385 40 0 IGABMO COc1ncc(C[N@H+]2C[C@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)cc1C ZINC000585101993 557035511 /nfs/dbraw/zinc/03/55/11/557035511.db2.gz SOJYSVPNEWVRGV-LJQANCHMSA-N 1 1 437.531 3.275 40 0 IGABMO COc1cccc(-c2ccc3c(c2)C2(CN3C(=O)CN3CC[NH+](C)CC3)CCOCC2)c1 ZINC000585105892 557038944 /nfs/dbraw/zinc/03/89/44/557038944.db2.gz WSJOKOQHBXOTGA-UHFFFAOYSA-N 1 1 435.568 3.004 40 0 IGABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCCCC1 ZINC000006149235 557146434 /nfs/dbraw/zinc/14/64/34/557146434.db2.gz AKVFHVJMAGYHCV-HXUWFJFHSA-N 1 1 438.532 3.354 40 0 IGABMO Cc1ccc(N2CC[N@H+](CC3CC3)C3(CCN(C(=O)Cc4ccsc4)CC3)C2=O)cn1 ZINC000096230390 557184934 /nfs/dbraw/zinc/18/49/34/557184934.db2.gz KQBMDWIEELXWFJ-UHFFFAOYSA-N 1 1 438.597 3.114 40 0 IGABMO Cc1ccc(N2CC[N@@H+](CC3CC3)C3(CCN(C(=O)Cc4ccsc4)CC3)C2=O)cn1 ZINC000096230390 557184936 /nfs/dbraw/zinc/18/49/36/557184936.db2.gz KQBMDWIEELXWFJ-UHFFFAOYSA-N 1 1 438.597 3.114 40 0 IGABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](CC(=O)NCCOc3ccccc3)CC2)c1 ZINC000585274206 557218469 /nfs/dbraw/zinc/21/84/69/557218469.db2.gz UECXWWLBOWEWJR-DEOSSOPVSA-N 1 1 446.975 3.439 40 0 IGABMO O[C@@]1(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287314 557224215 /nfs/dbraw/zinc/22/42/15/557224215.db2.gz MKOCUEIEBORZGA-DCEDVJGZSA-N 1 1 447.522 3.496 40 0 IGABMO CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929633 557273908 /nfs/dbraw/zinc/27/39/08/557273908.db2.gz TVRJCPHNAAUFQX-OAQYLSRUSA-N 1 1 434.544 3.109 40 0 IGABMO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000033821858 557377207 /nfs/dbraw/zinc/37/72/07/557377207.db2.gz RCTJTKDCQITONR-JLZZUVOBSA-N 1 1 448.416 3.236 40 0 IGABMO CCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019824370 557508569 /nfs/dbraw/zinc/50/85/69/557508569.db2.gz DLOSBUPRZSCXGX-UHFFFAOYSA-N 1 1 444.645 3.344 40 0 IGABMO O=C(c1cc(N2CCOCC2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000224078868 557557108 /nfs/dbraw/zinc/55/71/08/557557108.db2.gz LSDQOPWHZKAJQH-UHFFFAOYSA-N 1 1 432.524 3.059 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000225480524 557727853 /nfs/dbraw/zinc/72/78/53/557727853.db2.gz BWJXJEJWLIVTJL-OAQYLSRUSA-N 1 1 435.634 3.167 40 0 IGABMO CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CN(C(=O)c1cc3cc(F)ccc3n1C)CC2 ZINC000257206265 568667863 /nfs/dbraw/zinc/66/78/63/568667863.db2.gz BCQMNNYRPVMQQR-YMVVMYQSSA-N 1 1 448.542 3.341 40 0 IGABMO CN(C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)C1CCCCC1 ZINC000257248046 568687465 /nfs/dbraw/zinc/68/74/65/568687465.db2.gz JBUGEMIXPGUMEC-LJQANCHMSA-N 1 1 429.609 3.396 40 0 IGABMO Cc1nc2cc(NC(=O)C[C@H]3CCCN(C(=O)C[N@@H+]4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000257248617 568687749 /nfs/dbraw/zinc/68/77/49/568687749.db2.gz JELYHZINEAAEOQ-LJQANCHMSA-N 1 1 445.567 3.497 40 0 IGABMO Cc1nc2cc(NC(=O)C[C@H]3CCCN(C(=O)C[N@H+]4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000257248617 568687752 /nfs/dbraw/zinc/68/77/52/568687752.db2.gz JELYHZINEAAEOQ-LJQANCHMSA-N 1 1 445.567 3.497 40 0 IGABMO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)c(=O)n1 ZINC000257288036 568705866 /nfs/dbraw/zinc/70/58/66/568705866.db2.gz PSNQFYZVUIXQMP-KLWMKENUSA-N 1 1 448.611 3.335 40 0 IGABMO CCc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2cccc(Cc3cccc(OC)c3)n2)C1 ZINC000257300080 568711340 /nfs/dbraw/zinc/71/13/40/568711340.db2.gz RSUDBJZLZWLZDI-QHCPKHFHSA-N 1 1 434.540 3.430 40 0 IGABMO C[N@@H+](CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000257300933 568711533 /nfs/dbraw/zinc/71/15/33/568711533.db2.gz RWHILCQTPMFYAT-LUKWVAJMSA-N 1 1 441.572 3.420 40 0 IGABMO Cn1cnc(S(=O)(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)c1 ZINC000257305135 568713590 /nfs/dbraw/zinc/71/35/90/568713590.db2.gz SONYMVHJJNSGTH-HVJVJISESA-N 1 1 428.602 3.057 40 0 IGABMO COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1Cn1cc[nH+]c1C ZINC000257314383 568717313 /nfs/dbraw/zinc/71/73/13/568717313.db2.gz UWSIPDWWUHYQQT-HSZRJFAPSA-N 1 1 432.524 3.294 40 0 IGABMO Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000257321970 568720735 /nfs/dbraw/zinc/72/07/35/568720735.db2.gz WECLGSRKUATOHW-NRFANRHFSA-N 1 1 439.535 3.002 40 0 IGABMO Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000257321970 568720739 /nfs/dbraw/zinc/72/07/39/568720739.db2.gz WECLGSRKUATOHW-NRFANRHFSA-N 1 1 439.535 3.002 40 0 IGABMO COCCNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3cn(C)nc3C)C2)cc2ccccc21 ZINC000257324392 568721998 /nfs/dbraw/zinc/72/19/98/568721998.db2.gz WOMOCNSLDZYLBP-LJQANCHMSA-N 1 1 436.560 3.153 40 0 IGABMO COCCNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3cn(C)nc3C)C2)cc2ccccc21 ZINC000257324392 568722001 /nfs/dbraw/zinc/72/20/01/568722001.db2.gz WOMOCNSLDZYLBP-LJQANCHMSA-N 1 1 436.560 3.153 40 0 IGABMO Cc1cccc(C[N@@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)n1 ZINC000306127064 568764491 /nfs/dbraw/zinc/76/44/91/568764491.db2.gz FNONECFWCDYOHV-DEOSSOPVSA-N 1 1 446.599 3.143 40 0 IGABMO Cc1cccc(C[N@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)n1 ZINC000306127064 568764492 /nfs/dbraw/zinc/76/44/92/568764492.db2.gz FNONECFWCDYOHV-DEOSSOPVSA-N 1 1 446.599 3.143 40 0 IGABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccccc1F)C[C@H]2c1cccnc1 ZINC000306129701 568765857 /nfs/dbraw/zinc/76/58/57/568765857.db2.gz IKJLMXRKKDDTFB-WIOPSUGQSA-N 1 1 432.499 3.013 40 0 IGABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000016000410 568862311 /nfs/dbraw/zinc/86/23/11/568862311.db2.gz DFAXQDXNKHEZMB-VDNWNZSNSA-N 1 1 443.837 3.049 40 0 IGABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000016000410 568862312 /nfs/dbraw/zinc/86/23/12/568862312.db2.gz DFAXQDXNKHEZMB-VDNWNZSNSA-N 1 1 443.837 3.049 40 0 IGABMO O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198778 568921705 /nfs/dbraw/zinc/92/17/05/568921705.db2.gz IBWLJIVHSUCLKY-ABALZIDYSA-N 1 1 435.568 3.372 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c1F ZINC000247930600 569206537 /nfs/dbraw/zinc/20/65/37/569206537.db2.gz ROFWNZLTZRLYSD-QTGUNEKASA-N 1 1 427.520 3.478 40 0 IGABMO CCCc1ncc(C[N@H+]2CCC[C@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1 ZINC000247938918 569206570 /nfs/dbraw/zinc/20/65/70/569206570.db2.gz MGBAIOHIBLFTJH-GBXCKJPGSA-N 1 1 438.572 3.459 40 0 IGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3CCCO3)[nH]c(=O)c2C1 ZINC000253599786 569209104 /nfs/dbraw/zinc/20/91/04/569209104.db2.gz UNNMZLDFUWJFHS-APWZRJJASA-N 1 1 442.585 3.343 40 0 IGABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000253616935 569209244 /nfs/dbraw/zinc/20/92/44/569209244.db2.gz UPMMZHMPCFECTR-NZQKXSOJSA-N 1 1 447.587 3.474 40 0 IGABMO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4cnc(OC)nc4OC)[C@H]3C2)c(C)c1C ZINC000019577268 569226979 /nfs/dbraw/zinc/22/69/79/569226979.db2.gz VNBRLJQQUNOKSN-VAXXYWNWSA-N 1 1 427.545 3.239 40 0 IGABMO COc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccc(C)cc3OC)Cc3cn(C)nc32)cc1 ZINC000019701528 569231493 /nfs/dbraw/zinc/23/14/93/569231493.db2.gz OEMCHQUOPFQKGU-JOCHJYFZSA-N 1 1 434.540 3.162 40 0 IGABMO COc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccc(C)cc3OC)Cc3cn(C)nc32)cc1 ZINC000019701528 569231495 /nfs/dbraw/zinc/23/14/95/569231495.db2.gz OEMCHQUOPFQKGU-JOCHJYFZSA-N 1 1 434.540 3.162 40 0 IGABMO Cc1nc(C2CC[NH+](CC(=O)N3CCC3)CC2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019763802 569238221 /nfs/dbraw/zinc/23/82/21/569238221.db2.gz QFTBIWJHXODTEQ-UHFFFAOYSA-N 1 1 427.936 3.102 40 0 IGABMO Cc1nc(C2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019766535 569239432 /nfs/dbraw/zinc/23/94/32/569239432.db2.gz FAIUSXBCOREIMX-UHFFFAOYSA-N 1 1 432.927 3.430 40 0 IGABMO O=C(C[N@@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000019713121 569327623 /nfs/dbraw/zinc/32/76/23/569327623.db2.gz JGTWNJNWIORNQH-FGZHOGPDSA-N 1 1 449.551 3.442 40 0 IGABMO O=C(C[N@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000019713121 569327625 /nfs/dbraw/zinc/32/76/25/569327625.db2.gz JGTWNJNWIORNQH-FGZHOGPDSA-N 1 1 449.551 3.442 40 0 IGABMO CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CCCc2ccccc2)C1 ZINC000003841360 291355216 /nfs/dbraw/zinc/35/52/16/291355216.db2.gz MISWKASWPUTUPT-VQTJNVASSA-N 1 1 429.586 3.052 40 0 biogenic,in-vitro IGABMO CCOC(=O)c1cnn2c1N[C@@H]([C@H]1CCC[N@@H+](CC3=CCCOC3)C1)C[C@H]2C(F)(F)F ZINC000012181555 521581247 /nfs/dbraw/zinc/58/12/47/521581247.db2.gz JBWYLQVFVFOEEP-JQHSSLGASA-N 1 1 442.482 3.406 40 0 IGABMO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000022527114 523783768 /nfs/dbraw/zinc/78/37/68/523783768.db2.gz PAOOJYAQIVEBAY-OAQYLSRUSA-N 1 1 426.542 3.042 40 0 IGABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cccs4)n3)ccn2)CC1 ZINC000035424721 526858486 /nfs/dbraw/zinc/85/84/86/526858486.db2.gz ZHIMQAXZRZANNW-SFHVURJKSA-N 1 1 438.557 3.232 40 0 biogenic,in-vitro IGABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4cccs4)n3)ccn2)CC1 ZINC000035424721 526858489 /nfs/dbraw/zinc/85/84/89/526858489.db2.gz ZHIMQAXZRZANNW-SFHVURJKSA-N 1 1 438.557 3.232 40 0 biogenic,in-vitro IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000020452343 527371295 /nfs/dbraw/zinc/37/12/95/527371295.db2.gz KLMSFECDNCOFAN-SFHVURJKSA-N 1 1 440.569 3.268 40 0 IGABMO O[C@@H]1[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1c[nH]c2ccccc12 ZINC000020463773 527679937 /nfs/dbraw/zinc/67/99/37/527679937.db2.gz MDSXLKYRMNOMNR-KUDLYRENSA-N 1 1 447.579 3.065 40 0 biogenic,in-vitro IGABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000100203960 555701987 /nfs/dbraw/zinc/70/19/87/555701987.db2.gz KMVDGLCFSARJAA-VDNWNZSNSA-N 1 1 442.302 3.425 40 0 IGABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000100203960 555701989 /nfs/dbraw/zinc/70/19/89/555701989.db2.gz KMVDGLCFSARJAA-VDNWNZSNSA-N 1 1 442.302 3.425 40 0 IGABMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000008955514 556236500 /nfs/dbraw/zinc/23/65/00/556236500.db2.gz VGEBQTXHXAHOKY-FPOVZHCZSA-N 1 1 447.560 3.491 40 0 IGABMO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030848244 556508139 /nfs/dbraw/zinc/50/81/39/556508139.db2.gz VVJQTMSNERPRKL-HXUWFJFHSA-N 1 1 444.532 3.181 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000038756777 556618205 /nfs/dbraw/zinc/61/82/05/556618205.db2.gz HRMIHRAQSFNJRA-UHFFFAOYSA-N 1 1 438.553 3.036 40 0 IGABMO Cc1cc(C)nc(N2CCC[C@H](c3nc(N4CC[NH+](C)CC4)ncc3-c3cccnc3)C2)n1 ZINC000019118771 556700601 /nfs/dbraw/zinc/70/06/01/556700601.db2.gz UYZAIBSQZUMPPJ-NRFANRHFSA-N 1 1 444.587 3.081 40 0 IGABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N3CCCCC3)c1)CC2 ZINC000257331254 556705961 /nfs/dbraw/zinc/70/59/61/556705961.db2.gz XSANSARWIUCCFX-UHFFFAOYSA-N 1 1 449.617 3.081 40 0 IGABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000257343277 556709596 /nfs/dbraw/zinc/70/95/96/556709596.db2.gz ZSGLXNNVJVDZRA-DEOSSOPVSA-N 1 1 430.520 3.271 40 0 IGABMO CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)c(OCC(N)=O)c1 ZINC000257239700 556710335 /nfs/dbraw/zinc/71/03/35/556710335.db2.gz HQJXWEPCQNGPIV-DHLKQENFSA-N 1 1 444.547 3.392 40 0 IGABMO CNC(=O)[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CCN1Cc1ccccc1 ZINC000257255429 556712040 /nfs/dbraw/zinc/71/20/40/556712040.db2.gz KHLKEGGECSHETP-RUZDIDTESA-N 1 1 430.552 3.093 40 0 IGABMO 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Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCC(C(N)=O)CC4)c3)no2)cc1 ZINC000035424724 524452365 /nfs/dbraw/zinc/45/23/65/524452365.db2.gz GRKGNFGURMWGIG-NRFANRHFSA-N 1 1 446.555 3.479 40 0 biogenic,in-vitro IGABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCC(C(N)=O)CC4)c3)no2)cc1 ZINC000035424724 524452366 /nfs/dbraw/zinc/45/23/66/524452366.db2.gz GRKGNFGURMWGIG-NRFANRHFSA-N 1 1 446.555 3.479 40 0 biogenic,in-vitro IGABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2ccc(Cl)c4C)[N@H+]2CCC[C@@H]32)cc1 ZINC000020477376 524926233 /nfs/dbraw/zinc/92/62/33/524926233.db2.gz UFBGEQXFROUTKF-GSRZOBFVSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2ccc(Cl)c4C)[N@@H+]2CCC[C@@H]32)cc1 ZINC000020477376 524926247 /nfs/dbraw/zinc/92/62/47/524926247.db2.gz UFBGEQXFROUTKF-GSRZOBFVSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 ZINC000072345580 527077111 /nfs/dbraw/zinc/07/71/11/527077111.db2.gz CPKRQHZKRVCWAT-NRFANRHFSA-N 1 1 438.572 3.424 40 0 IGABMO CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H](C)Cn4cc[nH+]c4C)C3)cc2n1 ZINC000012088425 556401217 /nfs/dbraw/zinc/40/12/17/556401217.db2.gz NQULMKCRVMVFDI-ZFWWWQNUSA-N 1 1 434.466 3.468 40 0 IGABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@H](C)C1 ZINC000036714053 556599910 /nfs/dbraw/zinc/59/99/10/556599910.db2.gz KSIYVZAIKRPLAT-QUCCMNQESA-N 1 1 435.634 3.207 40 0 IGABMO O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038831127 556621726 /nfs/dbraw/zinc/62/17/26/556621726.db2.gz NOKXIISQQMZZJR-QHCPKHFHSA-N 1 1 425.548 3.186 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000044947409 556683797 /nfs/dbraw/zinc/68/37/97/556683797.db2.gz MDGFETKZNBDSQI-UHFFFAOYSA-N 1 1 438.553 3.204 40 0 IGABMO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000084415939 556686594 /nfs/dbraw/zinc/68/65/94/556686594.db2.gz HXBVKDZBMVKXNF-UHFFFAOYSA-N 1 1 448.527 3.499 40 0 aggregator IGABMO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000084415939 556686596 /nfs/dbraw/zinc/68/65/96/556686596.db2.gz HXBVKDZBMVKXNF-UHFFFAOYSA-N 1 1 448.527 3.499 40 0 aggregator IGABMO Cc1ccc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](Cc3cccnc3)C4)C2)cc1 ZINC000019135148 556705723 /nfs/dbraw/zinc/70/57/23/556705723.db2.gz VMDCUZZPVPTBIL-HXUWFJFHSA-N 1 1 429.524 3.074 40 0 IGABMO Cc1ccc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](Cc3cccnc3)C4)C2)cc1 ZINC000019135148 556705724 /nfs/dbraw/zinc/70/57/24/556705724.db2.gz VMDCUZZPVPTBIL-HXUWFJFHSA-N 1 1 429.524 3.074 40 0 IGABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCn3nc(C)cc3C)cc2)cc1 ZINC000257229008 556708961 /nfs/dbraw/zinc/70/89/61/556708961.db2.gz FWFIBGLJCUGTJT-JOCHJYFZSA-N 1 1 439.556 3.459 40 0 IGABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019287668 556728524 /nfs/dbraw/zinc/72/85/24/556728524.db2.gz YJHZEOSODVYMOS-HNNXBMFYSA-N 1 1 425.558 3.121 40 0 IGABMO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019343149 556740982 /nfs/dbraw/zinc/74/09/82/556740982.db2.gz UVTFHIRGCIQWTF-INIZCTEOSA-N 1 1 426.586 3.081 40 0 IGABMO O=C1c2cccc3c2N(CCC3)CCN1CC[N@@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000019368309 556746737 /nfs/dbraw/zinc/74/67/37/556746737.db2.gz WFICPAPKXATIRJ-UHFFFAOYSA-N 1 1 445.542 3.483 40 0 IGABMO O=C1c2cccc3c2N(CCC3)CCN1CC[N@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000019368309 556746740 /nfs/dbraw/zinc/74/67/40/556746740.db2.gz WFICPAPKXATIRJ-UHFFFAOYSA-N 1 1 445.542 3.483 40 0 IGABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000019370575 556747684 /nfs/dbraw/zinc/74/76/84/556747684.db2.gz CKWMPJGBGYXWIU-HSZRJFAPSA-N 1 1 448.611 3.240 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000019370565 556747788 /nfs/dbraw/zinc/74/77/88/556747788.db2.gz WBWDNJZROYXUKM-GOTSBHOMSA-N 1 1 448.611 3.240 40 0 IGABMO O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccnc1)C2 ZINC000019370764 556748208 /nfs/dbraw/zinc/74/82/08/556748208.db2.gz BLEQBKOHAHHGTQ-HSZRJFAPSA-N 1 1 443.551 3.020 40 0 IGABMO O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccnc1)C2 ZINC000019370764 556748213 /nfs/dbraw/zinc/74/82/13/556748213.db2.gz BLEQBKOHAHHGTQ-HSZRJFAPSA-N 1 1 443.551 3.020 40 0 IGABMO COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C(C)C)C2 ZINC000019448337 556757520 /nfs/dbraw/zinc/75/75/20/556757520.db2.gz LHTDQQIMKLETMQ-OAQYLSRUSA-N 1 1 438.572 3.231 40 0 IGABMO COc1cccc2c1cc(C(=O)N1CCC[C@H]1c1nc3c(c(=O)[nH]1)CC[N@H+](C(C)C)C3)n2C ZINC000019448399 556757929 /nfs/dbraw/zinc/75/79/29/556757929.db2.gz MMSVXCUHRCQCTN-FQEVSTJZSA-N 1 1 449.555 3.426 40 0 IGABMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1 ZINC000019455957 556765564 /nfs/dbraw/zinc/76/55/64/556765564.db2.gz KKWBIZCCGZAEDI-FQEVSTJZSA-N 1 1 436.600 3.411 40 0 IGABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 ZINC000019501593 556772934 /nfs/dbraw/zinc/77/29/34/556772934.db2.gz BLDYGZBUYRQECD-INIZCTEOSA-N 1 1 430.499 3.113 40 0 IGABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 ZINC000019501593 556772935 /nfs/dbraw/zinc/77/29/35/556772935.db2.gz BLDYGZBUYRQECD-INIZCTEOSA-N 1 1 430.499 3.113 40 0 IGABMO CCc1nnsc1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019521902 556778698 /nfs/dbraw/zinc/77/86/98/556778698.db2.gz SBJNGPUMDKKKEK-UHFFFAOYSA-N 1 1 428.537 3.035 40 0 IGABMO CCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OCC(N)=O ZINC000019532199 556792589 /nfs/dbraw/zinc/79/25/89/556792589.db2.gz GBPGUQOXFFMRHZ-QLCVBSLISA-N 1 1 428.504 3.103 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cc(OC)c1OC ZINC000019549741 556794698 /nfs/dbraw/zinc/79/46/98/556794698.db2.gz VNJZXHFMDUHTNN-GOSISDBHSA-N 1 1 442.560 3.166 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1OC ZINC000019567837 556808240 /nfs/dbraw/zinc/80/82/40/556808240.db2.gz MWQJJGHUYMMUBQ-SFHVURJKSA-N 1 1 436.512 3.396 40 0 IGABMO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019577744 556815529 /nfs/dbraw/zinc/81/55/29/556815529.db2.gz NOLNHDWHZVFDIN-UHFFFAOYSA-N 1 1 436.482 3.077 40 0 IGABMO Cc1nn(C)c(C)c1C[N@H+](C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019577744 556815531 /nfs/dbraw/zinc/81/55/31/556815531.db2.gz NOLNHDWHZVFDIN-UHFFFAOYSA-N 1 1 436.482 3.077 40 0 IGABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)C1 ZINC000019706532 556864680 /nfs/dbraw/zinc/86/46/80/556864680.db2.gz RFBZBHLIZYCUPQ-HXUWFJFHSA-N 1 1 436.604 3.181 40 0 IGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)C1 ZINC000019706532 556864683 /nfs/dbraw/zinc/86/46/83/556864683.db2.gz RFBZBHLIZYCUPQ-HXUWFJFHSA-N 1 1 436.604 3.181 40 0 IGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(N(C)Cc3ccc4ncccc4c3)c2C1 ZINC000019711299 556875414 /nfs/dbraw/zinc/87/54/14/556875414.db2.gz ZTHQQYDTVALJFJ-NRFANRHFSA-N 1 1 444.583 3.375 40 0 IGABMO CCN(CC)C(=O)C[NH+]1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 ZINC000019739327 556877409 /nfs/dbraw/zinc/87/74/09/556877409.db2.gz FDXNWISMXXOZMC-UHFFFAOYSA-N 1 1 449.599 3.312 40 0 IGABMO CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)C[N@H+]4CCCC[C@@H]4C)CC3)nc21 ZINC000019739506 556878143 /nfs/dbraw/zinc/87/81/43/556878143.db2.gz YQFMCSGISNYOGA-KRWDZBQOSA-N 1 1 427.593 3.055 40 0 IGABMO Cc1nc(N)cc(CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3cccc(F)c3)CC2)n1 ZINC000019758790 556902325 /nfs/dbraw/zinc/90/23/25/556902325.db2.gz FQJAHXYRODWKMK-QFIPXVFZSA-N 1 1 425.552 3.342 40 0 IGABMO Cc1nc(N)cc(CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3cccc(F)c3)CC2)n1 ZINC000019758790 556902328 /nfs/dbraw/zinc/90/23/28/556902328.db2.gz FQJAHXYRODWKMK-QFIPXVFZSA-N 1 1 425.552 3.342 40 0 IGABMO CCn1nc(C)c(C[N@H+]2CC[C@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)c1C ZINC000019761739 556905260 /nfs/dbraw/zinc/90/52/60/556905260.db2.gz JJKPEQOYKFDDSC-IBGZPJMESA-N 1 1 435.572 3.434 40 0 IGABMO COc1cccc(CC(=O)N2CCC[C@H]2c2ccc3c(n[nH]c3NC3CC[NH+](C)CC3)n2)c1 ZINC000072374517 556948307 /nfs/dbraw/zinc/94/83/07/556948307.db2.gz UEMYQKROLPTEKU-QFIPXVFZSA-N 1 1 448.571 3.379 40 0 IGABMO COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CCCC2 ZINC000072392626 556964004 /nfs/dbraw/zinc/96/40/04/556964004.db2.gz AGCJMKRQRFLCSM-NXQMDHLFSA-N 1 1 439.556 3.111 40 0 IGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cc5c(cc4C)OCO5)C[C@H]32)c(OCC)n1 ZINC000072392656 556964016 /nfs/dbraw/zinc/96/40/16/556964016.db2.gz BYZYERLPALMQSB-LSRZYVKLSA-N 1 1 441.528 3.041 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc(OC)c1OC ZINC000072393212 556964561 /nfs/dbraw/zinc/96/45/61/556964561.db2.gz WFKFXQUNPCHLOG-KRWDZBQOSA-N 1 1 436.512 3.237 40 0 IGABMO 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Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000009348624 569295711 /nfs/dbraw/zinc/29/57/11/569295711.db2.gz DMLNYBOCYBNNON-ZQDYSYBYSA-N 1 1 439.874 3.219 40 0 IGABMO COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)C[N@@H+]3CCc4ccccc4C3)CCO2)cc1 ZINC000019693136 569326427 /nfs/dbraw/zinc/32/64/27/569326427.db2.gz NTUQVQLHXABGIF-QHCPKHFHSA-N 1 1 444.535 3.110 40 0 IGABMO COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)C[N@H+]3CCc4ccccc4C3)CCO2)cc1 ZINC000019693136 569326429 /nfs/dbraw/zinc/32/64/29/569326429.db2.gz NTUQVQLHXABGIF-QHCPKHFHSA-N 1 1 444.535 3.110 40 0 IGABMO Cc1ccccc1C[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019692766 569326481 /nfs/dbraw/zinc/32/64/81/569326481.db2.gz DWLJSCVTZYKIRO-QFIPXVFZSA-N 1 1 431.540 3.190 40 0 IGABMO Cc1ccccc1C[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019692766 569326482 /nfs/dbraw/zinc/32/64/82/569326482.db2.gz DWLJSCVTZYKIRO-QFIPXVFZSA-N 1 1 431.540 3.190 40 0 IGABMO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019692767 569326484 /nfs/dbraw/zinc/32/64/84/569326484.db2.gz DWLJSCVTZYKIRO-JOCHJYFZSA-N 1 1 431.540 3.190 40 0 IGABMO Cc1ccccc1C[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019692767 569326485 /nfs/dbraw/zinc/32/64/85/569326485.db2.gz DWLJSCVTZYKIRO-JOCHJYFZSA-N 1 1 431.540 3.190 40 0 IGABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1OC ZINC000095533849 569374618 /nfs/dbraw/zinc/37/46/18/569374618.db2.gz JIGNUILODRDWGA-OAHLLOKOSA-N 1 1 436.253 3.142 40 0 IGABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1OC ZINC000095533848 569374665 /nfs/dbraw/zinc/37/46/65/569374665.db2.gz JIGNUILODRDWGA-HNNXBMFYSA-N 1 1 436.253 3.142 40 0 IGABMO COC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218243170 569456859 /nfs/dbraw/zinc/45/68/59/569456859.db2.gz GDAWVYQNHOEKME-ULQDDVLXSA-N 1 1 430.751 3.386 40 0 IGABMO CCOC(=O)c1cnn2c1N[C@@H]([C@@H]1CCC[N@@H+](CC3=CCCOC3)C1)C[C@H]2C(F)(F)F ZINC000012181551 521581282 /nfs/dbraw/zinc/58/12/82/521581282.db2.gz JBWYLQVFVFOEEP-NXHRZFHOSA-N 1 1 442.482 3.406 40 0 IGABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4cc(OC)c(OC)c(OC)c4)[C@H]3C2)cc1 ZINC000012188382 523673911 /nfs/dbraw/zinc/67/39/11/523673911.db2.gz JQLFJDDRMAWJNO-CTNGQTDRSA-N 1 1 440.540 3.458 40 0 IGABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4cc(OC)c(OC)c(OC)c4)[C@H]3C2)cc1 ZINC000012188382 523673918 /nfs/dbraw/zinc/67/39/18/523673918.db2.gz JQLFJDDRMAWJNO-CTNGQTDRSA-N 1 1 440.540 3.458 40 0 IGABMO C[NH+]1CCN(C(=O)/C(=C/c2cccc(F)c2)NC(=O)c2ccccc2Br)CC1 ZINC000020507105 523867233 /nfs/dbraw/zinc/86/72/33/523867233.db2.gz LFUYWKRUXIMEQZ-RGEXLXHISA-N 1 1 446.320 3.133 40 0 IGABMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000012235900 526755185 /nfs/dbraw/zinc/75/51/85/526755185.db2.gz LMWGXQPXGYDXCI-UNMCSNQZSA-N 1 1 426.605 3.330 40 0 IGABMO CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000004102215 555962592 /nfs/dbraw/zinc/96/25/92/555962592.db2.gz OIJXLIIMXHRJJH-KNLIIKEYSA-N 1 1 425.569 3.388 40 0 in-man IGABMO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000036734320 556316701 /nfs/dbraw/zinc/31/67/01/556316701.db2.gz ZPSVQAXTCNRZIN-UEVCKROQSA-N 1 1 438.547 3.023 40 0 IGABMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000036734320 556316706 /nfs/dbraw/zinc/31/67/06/556316706.db2.gz ZPSVQAXTCNRZIN-UEVCKROQSA-N 1 1 438.547 3.023 40 0 IGABMO C[C@@H](Cc1ccccn1)[N@@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012089134 556401753 /nfs/dbraw/zinc/40/17/53/556401753.db2.gz XXEGXLBIZPKESF-ORYQWCPZSA-N 1 1 439.560 3.345 40 0 IGABMO Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@@H](C)[NH3+])c(C)c34)c2F)[nH]1 ZINC000029134439 556468243 /nfs/dbraw/zinc/46/82/43/556468243.db2.gz LTEJRLHKIYCEOX-TZMCWYRMSA-N 1 1 441.463 3.417 40 0 in-vitro IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000030758846 556505563 /nfs/dbraw/zinc/50/55/63/556505563.db2.gz ZCMMYLVSJYGMBQ-SFHVURJKSA-N 1 1 440.569 3.268 40 0 IGABMO O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030939858 556515926 /nfs/dbraw/zinc/51/59/26/556515926.db2.gz WZGACAYMPOSIQK-IBGZPJMESA-N 1 1 425.504 3.149 40 0 IGABMO Cc1ccc(N(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000013681876 556556942 /nfs/dbraw/zinc/55/69/42/556556942.db2.gz SWRHRTNORLRNLO-UHFFFAOYSA-N 1 1 443.613 3.194 40 0 IGABMO O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038831126 556621805 /nfs/dbraw/zinc/62/18/05/556621805.db2.gz NOKXIISQQMZZJR-HSZRJFAPSA-N 1 1 425.548 3.186 40 0 IGABMO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](CC)CC2=O ZINC000514287656 556624340 /nfs/dbraw/zinc/62/43/40/556624340.db2.gz WFGWVZNNJVZCCU-ZAFUIEJVSA-N 1 1 427.589 3.180 40 0 IGABMO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](CC)CC2=O ZINC000514287656 556624344 /nfs/dbraw/zinc/62/43/44/556624344.db2.gz WFGWVZNNJVZCCU-ZAFUIEJVSA-N 1 1 427.589 3.180 40 0 IGABMO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290441 556626556 /nfs/dbraw/zinc/62/65/56/556626556.db2.gz ZWPLBWPOSFFEPT-FCHUYYIVSA-N 1 1 431.502 3.211 40 0 biogenic,in-vitro IGABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)[N@@H+]2C1 ZINC000514290441 556626559 /nfs/dbraw/zinc/62/65/59/556626559.db2.gz ZWPLBWPOSFFEPT-FCHUYYIVSA-N 1 1 431.502 3.211 40 0 biogenic,in-vitro IGABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)[N@H+]2C1 ZINC000514290441 556626562 /nfs/dbraw/zinc/62/65/62/556626562.db2.gz ZWPLBWPOSFFEPT-FCHUYYIVSA-N 1 1 431.502 3.211 40 0 biogenic,in-vitro IGABMO CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000019086149 556699700 /nfs/dbraw/zinc/69/97/00/556699700.db2.gz RVNGJTCQNWXKQS-CTNGQTDRSA-N 1 1 443.617 3.100 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)ccc1OCCn1ccnc1 ZINC000257265344 556712961 /nfs/dbraw/zinc/71/29/61/556712961.db2.gz LYHMXRDDUUWUAQ-VWLOTQADSA-N 1 1 437.540 3.377 40 0 IGABMO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccncc1)C2 ZINC000019238642 556723686 /nfs/dbraw/zinc/72/36/86/556723686.db2.gz RCTHPERNHTUWJW-IBGZPJMESA-N 1 1 435.553 3.070 40 0 IGABMO Cc1ccsc1C[N@H+]1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccncc1)C2 ZINC000019238642 556723689 /nfs/dbraw/zinc/72/36/89/556723689.db2.gz RCTHPERNHTUWJW-IBGZPJMESA-N 1 1 435.553 3.070 40 0 IGABMO COc1ccccc1C[N@H+]1C[C@@H](c2ccc(OC)c(OC)c2)[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000019285455 556727133 /nfs/dbraw/zinc/72/71/33/556727133.db2.gz VPCLMDGNNNAQDE-VQTJNVASSA-N 1 1 435.524 3.487 40 0 IGABMO COc1ccc([C@@H]2C[N@@H+](Cc3c(OC)cccc3OC)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285495 556727518 /nfs/dbraw/zinc/72/75/18/556727518.db2.gz JDBLODPQIZDPSJ-VQTJNVASSA-N 1 1 435.524 3.487 40 0 IGABMO Cn1c2ccc(C[N@H+]3CCC[C@H](c4cc(=O)[nH]c(-c5cccs5)n4)C3)cc2n(C)c1=O ZINC000019289796 556729679 /nfs/dbraw/zinc/72/96/79/556729679.db2.gz VCVGEAVBKNLKNE-INIZCTEOSA-N 1 1 435.553 3.068 40 0 IGABMO O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019343693 556741831 /nfs/dbraw/zinc/74/18/31/556741831.db2.gz KIWNZLXPAUPHTA-FQEVSTJZSA-N 1 1 435.553 3.152 40 0 IGABMO O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019343693 556741833 /nfs/dbraw/zinc/74/18/33/556741833.db2.gz KIWNZLXPAUPHTA-FQEVSTJZSA-N 1 1 435.553 3.152 40 0 IGABMO O=C(NCC1CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019372628 556749191 /nfs/dbraw/zinc/74/91/91/556749191.db2.gz QPHDMAVAALECLF-RPLLCQBOSA-N 1 1 432.564 3.477 40 0 IGABMO O=C(Cc1ccsc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019406415 556755058 /nfs/dbraw/zinc/75/50/58/556755058.db2.gz YZPGKWFDVDVWAD-QGZVFWFLSA-N 1 1 426.586 3.081 40 0 IGABMO CC(C)[NH+]1CCC(CN(C)CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)CC1 ZINC000019447804 556756684 /nfs/dbraw/zinc/75/66/84/556756684.db2.gz FUPJYQHMGZWXJM-FCHUYYIVSA-N 1 1 441.645 3.300 40 0 IGABMO COc1cccc(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)c1 ZINC000019450122 556761079 /nfs/dbraw/zinc/76/10/79/556761079.db2.gz FNFLTYVYFYSCSE-VXKWHMMOSA-N 1 1 437.588 3.216 40 0 IGABMO C[C@H](CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2)n1cccn1 ZINC000019455303 556765624 /nfs/dbraw/zinc/76/56/24/556765624.db2.gz JMGLWOXSCHZQKF-DYESRHJHSA-N 1 1 438.576 3.384 40 0 IGABMO CCc1c(C)nc([C@@H]2CCC[N@@H+](Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[nH]c1=O ZINC000019521552 556778365 /nfs/dbraw/zinc/77/83/65/556778365.db2.gz LUVSXYQDGXNUMJ-HXUWFJFHSA-N 1 1 438.572 3.022 40 0 IGABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccccc2OC)C3)c(OCC)n1 ZINC000019531655 556792040 /nfs/dbraw/zinc/79/20/40/556792040.db2.gz JSQPJDQRGJDJLM-QRQCMCJISA-N 1 1 427.545 3.402 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)cc1OC(F)F ZINC000019559777 556801493 /nfs/dbraw/zinc/80/14/93/556801493.db2.gz OAVSPVINLXQPRV-UHFFFAOYSA-N 1 1 428.439 3.043 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)[nH]c(=O)c2C1 ZINC000019570596 556810568 /nfs/dbraw/zinc/81/05/68/556810568.db2.gz HUGXMROWVOQRKB-AZUAARDMSA-N 1 1 448.567 3.421 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019570587 556810593 /nfs/dbraw/zinc/81/05/93/556810593.db2.gz JXOSRRATCXOWGX-IBGZPJMESA-N 1 1 436.556 3.255 40 0 IGABMO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000019577957 556815557 /nfs/dbraw/zinc/81/55/57/556815557.db2.gz YDFLKPXQKGZIFY-SANMLTNESA-N 1 1 447.583 3.370 40 0 IGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[nH]c(=O)c2C1 ZINC000019590242 556825198 /nfs/dbraw/zinc/82/51/98/556825198.db2.gz IAZIJRKNKBTROE-HNNXBMFYSA-N 1 1 437.569 3.119 40 0 IGABMO CC(C)n1c(SCc2cccnc2)nnc1[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000004932363 556825748 /nfs/dbraw/zinc/82/57/48/556825748.db2.gz CAVXVLDGPFQTDS-LJQANCHMSA-N 1 1 428.606 3.348 40 0 IGABMO CC(C)n1c(SCc2cccnc2)nnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000004932363 556825752 /nfs/dbraw/zinc/82/57/52/556825752.db2.gz CAVXVLDGPFQTDS-LJQANCHMSA-N 1 1 428.606 3.348 40 0 IGABMO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000019694079 556849127 /nfs/dbraw/zinc/84/91/27/556849127.db2.gz SPOYMVGIKDVIPC-HXUWFJFHSA-N 1 1 430.556 3.100 40 0 IGABMO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000019694079 556849129 /nfs/dbraw/zinc/84/91/29/556849129.db2.gz SPOYMVGIKDVIPC-HXUWFJFHSA-N 1 1 430.556 3.100 40 0 IGABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000019694025 556849224 /nfs/dbraw/zinc/84/92/24/556849224.db2.gz GRDLGQFXORGKTM-LJQANCHMSA-N 1 1 448.546 3.240 40 0 IGABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000019694025 556849226 /nfs/dbraw/zinc/84/92/26/556849226.db2.gz GRDLGQFXORGKTM-LJQANCHMSA-N 1 1 448.546 3.240 40 0 IGABMO CC(=O)NCc1ccc([C@H]2C[N@@H+](Cc3c(C)nn(C(C)C)c3C)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698688 556857777 /nfs/dbraw/zinc/85/77/77/556857777.db2.gz FQBQCLRKEITWEU-RPWUZVMVSA-N 1 1 439.604 3.021 40 0 IGABMO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)[C@H](c1ccccc1)N1CCCCC1)C2 ZINC000019710694 556874404 /nfs/dbraw/zinc/87/44/04/556874404.db2.gz MWFGULXDPDKBOU-QHCPKHFHSA-N 1 1 448.615 3.097 40 0 IGABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2n(C)c1=O ZINC000019743481 556888313 /nfs/dbraw/zinc/88/83/13/556888313.db2.gz BCZLDESYCATRCT-OAHLLOKOSA-N 1 1 432.446 3.031 40 0 IGABMO COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@H+](C4CCOCC4)C2)nc3C)cc1 ZINC000019743909 556889216 /nfs/dbraw/zinc/88/92/16/556889216.db2.gz LVFGVDKEQLXHCJ-LJQANCHMSA-N 1 1 436.556 3.241 40 0 IGABMO CC(=O)N1CCC(C(=O)N2CCC(Cc3cc(NC4CCCC4)nc(C)[nH+]3)CC2)CC1 ZINC000019758398 556902127 /nfs/dbraw/zinc/90/21/27/556902127.db2.gz JFFNDMIZLDOJRA-UHFFFAOYSA-N 1 1 427.593 3.179 40 0 IGABMO CC(C)c1ncc(C[N@H+]2CC[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cn1 ZINC000019761845 556905618 /nfs/dbraw/zinc/90/56/18/556905618.db2.gz YYUNTDMFGZPESX-IBGZPJMESA-N 1 1 433.556 3.202 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000072330598 556906710 /nfs/dbraw/zinc/90/67/10/556906710.db2.gz GOBCVBYSUUZRQR-APTRMMRNSA-N 1 1 439.556 3.347 40 0 IGABMO C=C1[NH+]=C(SCC(=O)OC)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408990504 556911102 /nfs/dbraw/zinc/91/11/02/556911102.db2.gz NKLABUKWYPNKGB-OAHLLOKOSA-N 1 1 427.320 3.193 40 0 IGABMO CN(C)c1ncc(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000072371493 556938939 /nfs/dbraw/zinc/93/89/39/556938939.db2.gz XDBRDYJGBKDCKG-INIZCTEOSA-N 1 1 428.487 3.155 40 0 IGABMO CN(C)c1ncc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cn1 ZINC000072371493 556938942 /nfs/dbraw/zinc/93/89/42/556938942.db2.gz XDBRDYJGBKDCKG-INIZCTEOSA-N 1 1 428.487 3.155 40 0 IGABMO CN(C)c1ncc(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cn1 ZINC000072371493 556938946 /nfs/dbraw/zinc/93/89/46/556938946.db2.gz XDBRDYJGBKDCKG-INIZCTEOSA-N 1 1 428.487 3.155 40 0 IGABMO O=C(C[N@H+]1CCC[C@@H](Cc2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373079 556945284 /nfs/dbraw/zinc/94/52/84/556945284.db2.gz DANDSPJTPYRIPI-GOTSBHOMSA-N 1 1 448.611 3.240 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@H]1Cc1ccccc1 ZINC000072373107 556945316 /nfs/dbraw/zinc/94/53/16/556945316.db2.gz BJLGZTLZMLYDDH-GOTSBHOMSA-N 1 1 448.611 3.383 40 0 IGABMO COc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(n[nH]c3NC3CC[NH+](C)CC3)n2)c1 ZINC000072374492 556948139 /nfs/dbraw/zinc/94/81/39/556948139.db2.gz LRQSRCUTVVZBIJ-OAQYLSRUSA-N 1 1 434.544 3.450 40 0 IGABMO 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CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)cc1 ZINC000585103740 557036406 /nfs/dbraw/zinc/03/64/06/557036406.db2.gz IUVWEKACOFVCCB-DEOSSOPVSA-N 1 1 436.600 3.220 40 0 IGABMO C[NH+](C)CC(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000585103013 557037154 /nfs/dbraw/zinc/03/71/54/557037154.db2.gz BGPGZRANRDRDKI-UHFFFAOYSA-N 1 1 425.960 3.351 40 0 IGABMO CC[NH+]1CCN(C(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)CC1 ZINC000409260772 557040392 /nfs/dbraw/zinc/04/03/92/557040392.db2.gz WFBSZINFKUVIDR-UHFFFAOYSA-N 1 1 435.977 3.008 40 0 IGABMO Cc1noc(C)c1C(=O)NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@@H+]12 ZINC000585110213 557043437 /nfs/dbraw/zinc/04/34/37/557043437.db2.gz XPRDSBVEBBUICZ-SFTDATJTSA-N 1 1 445.523 3.110 40 0 IGABMO CC(C)[NH+]1CCN(C(=O)c2nc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1 ZINC000096037958 557165719 /nfs/dbraw/zinc/16/57/19/557165719.db2.gz SYFYUDZIUDOUCT-UHFFFAOYSA-N 1 1 428.540 3.412 40 0 IGABMO 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ZINC000013562686 557353171 /nfs/dbraw/zinc/35/31/71/557353171.db2.gz WDEHIUULLGQEOQ-UHFFFAOYSA-N 1 1 439.560 3.419 40 0 IGABMO CCC[NH+]1CCN(C(=O)CSc2nnc(Cc3ccc(Br)cc3)o2)CC1 ZINC000025854904 557415854 /nfs/dbraw/zinc/41/58/54/557415854.db2.gz FJUJGKDQUAKGGO-UHFFFAOYSA-N 1 1 439.379 3.069 40 0 IGABMO Cc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCC3)cc2c1 ZINC000026100218 557437590 /nfs/dbraw/zinc/43/75/90/557437590.db2.gz OBOFJSRBIRGUFN-UHFFFAOYSA-N 1 1 442.629 3.178 40 0 IGABMO CC(C)n1c2ccc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000225717795 557767888 /nfs/dbraw/zinc/76/78/88/557767888.db2.gz IHRQOMUVVGMEGY-UHFFFAOYSA-N 1 1 445.610 3.371 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1OCCn1ccnc1 ZINC000585270704 568617308 /nfs/dbraw/zinc/61/73/08/568617308.db2.gz IDULBBIMZKWXJZ-VWLOTQADSA-N 1 1 437.540 3.377 40 0 IGABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+]3CC[C@@](O)(CN4CCC(F)(F)CC4)C3)cc2)n1 ZINC000585271225 568617585 /nfs/dbraw/zinc/61/75/85/568617585.db2.gz 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CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C(C)C)CC2=O ZINC000253402933 569264912 /nfs/dbraw/zinc/26/49/12/569264912.db2.gz PAQXIBLYNVCHPM-HFWGBCDPSA-N 1 1 427.589 3.225 40 0 IGABMO CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C(C)C)CC2=O ZINC000253402933 569264913 /nfs/dbraw/zinc/26/49/13/569264913.db2.gz PAQXIBLYNVCHPM-HFWGBCDPSA-N 1 1 427.589 3.225 40 0 IGABMO COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CC[NH+](C)CC3)C[C@H]2C(C)C)cc1 ZINC000030880827 291358175 /nfs/dbraw/zinc/35/81/75/291358175.db2.gz PQCSDNKPUZISTC-FIXSFTCYSA-N 1 1 441.616 3.444 40 0 biogenic,in-vitro IGABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843153 526196342 /nfs/dbraw/zinc/19/63/42/526196342.db2.gz OITGREQAXLVEJB-GBPOLFSSSA-N 1 1 439.874 3.219 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000020491372 527372483 /nfs/dbraw/zinc/37/24/83/527372483.db2.gz DINXMCHRJGCDGB-UHFFFAOYSA-N 1 1 438.553 3.036 40 0 IGABMO CCN(CC)CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH+](CC)CC)ccc1-2 ZINC000001563792 555703231 /nfs/dbraw/zinc/70/32/31/555703231.db2.gz NATFCCOZXVPFHU-UHFFFAOYSA-N 1 1 436.556 3.459 40 0 IGABMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000034701063 555821362 /nfs/dbraw/zinc/82/13/62/555821362.db2.gz QJSXYMDBXXURBE-ZUVQJFRASA-N 1 1 429.520 3.149 40 0 IGABMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716406 556287608 /nfs/dbraw/zinc/28/76/08/556287608.db2.gz JIWSTCWESMMCCQ-HSZRJFAPSA-N 1 1 443.613 3.192 40 0 IGABMO COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030941927 556516219 /nfs/dbraw/zinc/51/62/19/556516219.db2.gz BQSUKJGRTGIHSW-LJQANCHMSA-N 1 1 427.520 3.443 40 0 IGABMO O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038831114 556621825 /nfs/dbraw/zinc/62/18/25/556621825.db2.gz HGQQPJFDGUWNDN-HSZRJFAPSA-N 1 1 425.548 3.186 40 0 IGABMO O[C@H]1C[N@@H+](Cc2cccc(OCc3cccnc3)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000257245112 556710702 /nfs/dbraw/zinc/71/07/02/556710702.db2.gz IOCMYNJUOSWBFQ-SVBPBHIXSA-N 1 1 444.579 3.028 40 0 IGABMO O[C@H]1CN(Cc2cccc(OCc3cccnc3)c2)C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000257245112 556710704 /nfs/dbraw/zinc/71/07/04/556710704.db2.gz IOCMYNJUOSWBFQ-SVBPBHIXSA-N 1 1 444.579 3.028 40 0 IGABMO Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C3CCC(C)CC3)CC4)C2)cn1 ZINC000019214858 556711583 /nfs/dbraw/zinc/71/15/83/556711583.db2.gz KERRVFVDHYSZDF-TWMPVWRBSA-N 1 1 449.599 3.430 40 0 IGABMO Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3CC3CCCCC3)[nH]c(=O)c2C1 ZINC000019239487 556725005 /nfs/dbraw/zinc/72/50/05/556725005.db2.gz SEGNFWYNDGBOGC-JOCHJYFZSA-N 1 1 435.572 3.389 40 0 IGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000019334088 556737898 /nfs/dbraw/zinc/73/78/98/556737898.db2.gz MOJHCVBBIUUXPT-JOCHJYFZSA-N 1 1 436.535 3.409 40 0 IGABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](Cc4cccs4)C3)nc2C1 ZINC000019347701 556743504 /nfs/dbraw/zinc/74/35/04/556743504.db2.gz RKEGDRHQEQHFHQ-HNNXBMFYSA-N 1 1 438.528 3.159 40 0 IGABMO CCOc1ncc(C2(O)CC[NH+](CC3=Cc4cc(OC)ccc4OC3)CC2)c(OCC)n1 ZINC000019531695 556792287 /nfs/dbraw/zinc/79/22/87/556792287.db2.gz KHVKSRJXICUFRD-UHFFFAOYSA-N 1 1 441.528 3.042 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1 ZINC000019555248 556798350 /nfs/dbraw/zinc/79/83/50/556798350.db2.gz NGKKMGPGQAYMMI-HSZRJFAPSA-N 1 1 448.571 3.278 40 0 IGABMO Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019583533 556820881 /nfs/dbraw/zinc/82/08/81/556820881.db2.gz VLSPEKIFYQMPLK-OAQYLSRUSA-N 1 1 438.576 3.282 40 0 IGABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006409770 556835151 /nfs/dbraw/zinc/83/51/51/556835151.db2.gz FYCYQBDTYNSODQ-OAQYLSRUSA-N 1 1 436.560 3.337 40 0 IGABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006409770 556835154 /nfs/dbraw/zinc/83/51/54/556835154.db2.gz FYCYQBDTYNSODQ-OAQYLSRUSA-N 1 1 436.560 3.337 40 0 IGABMO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cn1 ZINC000019706924 556865753 /nfs/dbraw/zinc/86/57/53/556865753.db2.gz KLPGZCWIRGEJKJ-OAQYLSRUSA-N 1 1 436.604 3.306 40 0 IGABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cn1 ZINC000019706924 556865756 /nfs/dbraw/zinc/86/57/56/556865756.db2.gz KLPGZCWIRGEJKJ-OAQYLSRUSA-N 1 1 436.604 3.306 40 0 IGABMO CNc1nc([C@H]2CCCN(C(=O)C(C)(C)c3cccc(F)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708526 556869111 /nfs/dbraw/zinc/86/91/11/556869111.db2.gz ZHHIKNJFXCGKHW-INIZCTEOSA-N 1 1 425.552 3.329 40 0 IGABMO CNc1nc([C@H]2CCCN(C(=O)C(C)(C)c3cccc(F)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708526 556869116 /nfs/dbraw/zinc/86/91/16/556869116.db2.gz ZHHIKNJFXCGKHW-INIZCTEOSA-N 1 1 425.552 3.329 40 0 IGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCCOc3ccc(C)cc3C)c2C1 ZINC000019711304 556875510 /nfs/dbraw/zinc/87/55/10/556875510.db2.gz YFVMTGCXUWAXTB-HXUWFJFHSA-N 1 1 437.588 3.298 40 0 IGABMO Cn1cc(C(=O)NC2CCCC2)c(CC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000019756280 556900035 /nfs/dbraw/zinc/90/00/35/556900035.db2.gz AEFBHZQSGXXAPX-UHFFFAOYSA-N 1 1 441.551 3.125 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000072330599 556906555 /nfs/dbraw/zinc/90/65/55/556906555.db2.gz GOBCVBYSUUZRQR-UCFCWBNQSA-N 1 1 439.556 3.347 40 0 IGABMO Cc1ccc2occ(C[NH+]3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c(=O)c2c1 ZINC000072338922 556911421 /nfs/dbraw/zinc/91/14/21/556911421.db2.gz ARIJVHNWKARGSI-HSZRJFAPSA-N 1 1 439.537 3.044 40 0 IGABMO O=C(C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000072352338 556923979 /nfs/dbraw/zinc/92/39/79/556923979.db2.gz MTKZFJOOXOEWEH-GOSISDBHSA-N 1 1 441.597 3.176 40 0 IGABMO O=C(C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000072352338 556923981 /nfs/dbraw/zinc/92/39/81/556923981.db2.gz MTKZFJOOXOEWEH-GOSISDBHSA-N 1 1 441.597 3.176 40 0 IGABMO O=C(C[N@H+]1CCC[C@H](Cc2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373080 556945447 /nfs/dbraw/zinc/94/54/47/556945447.db2.gz DANDSPJTPYRIPI-PKTZIBPZSA-N 1 1 448.611 3.240 40 0 IGABMO COc1cc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)ccc1OCC(N)=O ZINC000072376411 556954784 /nfs/dbraw/zinc/95/47/84/556954784.db2.gz XQDLJKOVKNSRMC-IBGZPJMESA-N 1 1 448.527 3.133 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)ccc1OCC(N)=O ZINC000072376411 556954787 /nfs/dbraw/zinc/95/47/87/556954787.db2.gz XQDLJKOVKNSRMC-IBGZPJMESA-N 1 1 448.527 3.133 40 0 IGABMO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)c(OCC)n1 ZINC000072395420 556967266 /nfs/dbraw/zinc/96/72/66/556967266.db2.gz KVUMVRUDRHZFNV-RCBMLXARSA-N 1 1 439.556 3.327 40 0 IGABMO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)c(OCC)n1 ZINC000072395421 556967391 /nfs/dbraw/zinc/96/73/91/556967391.db2.gz KVUMVRUDRHZFNV-VHAOLELVSA-N 1 1 439.556 3.327 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000020044903 556972822 /nfs/dbraw/zinc/97/28/22/556972822.db2.gz WOABEEKQDNYRNQ-HNNXBMFYSA-N 1 1 446.960 3.305 40 0 IGABMO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020048293 556974074 /nfs/dbraw/zinc/97/40/74/556974074.db2.gz QBMHJFYZIKMESA-OAQYLSRUSA-N 1 1 444.532 3.181 40 0 IGABMO COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106081 557039619 /nfs/dbraw/zinc/03/96/19/557039619.db2.gz KBBUUHDUYDGSMA-UXHICEINSA-N 1 1 445.991 3.191 40 0 IGABMO C[N@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)CCOc3ccc(F)cc3)CC4)c2C1 ZINC000585111175 557045808 /nfs/dbraw/zinc/04/58/08/557045808.db2.gz HQNVIBQAYMSSAV-UHFFFAOYSA-N 1 1 434.515 3.488 40 0 IGABMO O=C(C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1)NCCc1nc2ccccc2[nH]1 ZINC000585262106 557200601 /nfs/dbraw/zinc/20/06/01/557200601.db2.gz XHXHPHMHCGEEBF-LJQANCHMSA-N 1 1 432.524 3.159 40 0 IGABMO O=C(C[N@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1)NCCc1nc2ccccc2[nH]1 ZINC000585262106 557200606 /nfs/dbraw/zinc/20/06/06/557200606.db2.gz XHXHPHMHCGEEBF-LJQANCHMSA-N 1 1 432.524 3.159 40 0 IGABMO COc1cccc(N2CCC(O)(C[N@H+]3CCC[C@@]4(C)[C@H]3CCCCN4C(C)=O)CC2)c1 ZINC000585262962 557203348 /nfs/dbraw/zinc/20/33/48/557203348.db2.gz RVCYMPYUGLJDKM-RPWUZVMVSA-N 1 1 429.605 3.282 40 0 IGABMO Cc1cc(OC[C@]2(O)CCC[N@H+](CC(=O)NCCOc3ccccc3)C2)cc(C)c1Cl ZINC000585274343 557218424 /nfs/dbraw/zinc/21/84/24/557218424.db2.gz WCONGDWCOQQJBH-DEOSSOPVSA-N 1 1 446.975 3.358 40 0 IGABMO Cc1cc(OC[C@]2(O)CCC[N@@H+](CC(=O)NCCOc3ccccc3)C2)cc(C)c1Cl ZINC000585274343 557218427 /nfs/dbraw/zinc/21/84/27/557218427.db2.gz WCONGDWCOQQJBH-DEOSSOPVSA-N 1 1 446.975 3.358 40 0 IGABMO O[C@@]1(C[N@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585284953 557224381 /nfs/dbraw/zinc/22/43/81/557224381.db2.gz BDQGSCPVHYQQPR-GPUOULLFSA-N 1 1 429.532 3.357 40 0 IGABMO FC(F)(F)Oc1ccc(CN2CC3(C2)C[N@@H+](Cc2ccccc2)C[C@@H]2COCCN23)cc1 ZINC000604381070 557236222 /nfs/dbraw/zinc/23/62/22/557236222.db2.gz CXYBFKAIHPFTSE-OAQYLSRUSA-N 1 1 447.501 3.356 40 0 biogenic,in-vitro IGABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000057774110 557263707 /nfs/dbraw/zinc/26/37/07/557263707.db2.gz HHGROGBGSYVBIY-CYFREDJKSA-N 1 1 427.545 3.205 40 0 IGABMO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000057774100 557263736 /nfs/dbraw/zinc/26/37/36/557263736.db2.gz HHGROGBGSYVBIY-NTKDMRAZSA-N 1 1 427.545 3.205 40 0 IGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)C1 ZINC000260561485 557264288 /nfs/dbraw/zinc/26/42/88/557264288.db2.gz GQCMPHYTDAPQLZ-IBGZPJMESA-N 1 1 429.586 3.364 40 0 IGABMO COc1ccc(C[N@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)cc1OC ZINC000013994257 557400978 /nfs/dbraw/zinc/40/09/78/557400978.db2.gz ABFDCBGVRKDYKQ-LJQANCHMSA-N 1 1 425.529 3.075 40 0 IGABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014412513 557444846 /nfs/dbraw/zinc/44/48/46/557444846.db2.gz ZEZGINOSDWVLSL-UHFFFAOYSA-N 1 1 435.977 3.008 40 0 IGABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)NC3CCCCC3)cc2c1 ZINC000019220975 557497980 /nfs/dbraw/zinc/49/79/80/557497980.db2.gz YAUUWUOLCPYPFJ-UHFFFAOYSA-N 1 1 440.588 3.403 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000224397536 557601594 /nfs/dbraw/zinc/60/15/94/557601594.db2.gz WBFCZFHTJOEGPF-UHFFFAOYSA-N 1 1 438.553 3.349 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000260793208 557856163 /nfs/dbraw/zinc/85/61/63/557856163.db2.gz LSTAYTZOBREUSX-IBGZPJMESA-N 1 1 439.622 3.012 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000260839138 557859067 /nfs/dbraw/zinc/85/90/67/557859067.db2.gz JAOBQDCMVZLATF-IBGZPJMESA-N 1 1 439.622 3.012 40 0 IGABMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH+]5CCC(C(N)=O)CC5)C4=O)cc3)sc2c1 ZINC000019972536 563023374 /nfs/dbraw/zinc/02/33/74/563023374.db2.gz MYIYWTCWSIRUSE-LJQANCHMSA-N 1 1 448.548 3.101 40 0 IGABMO Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000585262287 568616502 /nfs/dbraw/zinc/61/65/02/568616502.db2.gz BPPDVVHLJJMDRY-XPGKHFPBSA-N 1 1 443.547 3.128 40 0 IGABMO Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000585262287 568616503 /nfs/dbraw/zinc/61/65/03/568616503.db2.gz BPPDVVHLJJMDRY-XPGKHFPBSA-N 1 1 443.547 3.128 40 0 IGABMO COc1ccccc1CNC(=O)C[NH+]1CCC(O)(COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000585274801 568618985 /nfs/dbraw/zinc/61/89/85/568618985.db2.gz ZWQDZYVPRJJWAG-UHFFFAOYSA-N 1 1 446.975 3.488 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000260910227 568629214 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/nfs/dbraw/zinc/72/16/47/568721647.db2.gz WLPXKECWPPVASX-QGZVFWFLSA-N 1 1 449.507 3.490 40 0 IGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132448 568767122 /nfs/dbraw/zinc/76/71/22/568767122.db2.gz LJDABMSMVDASKM-DHLKQENFSA-N 1 1 430.556 3.272 40 0 IGABMO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@@H+](Cc4ccc5c(c4)CCO5)C3)O2)cc1 ZINC000306134653 568768803 /nfs/dbraw/zinc/76/88/03/568768803.db2.gz NUMOBBOYWOKWBD-BVAGGSTKSA-N 1 1 436.552 3.110 40 0 IGABMO Cc1nc(CN2CCC[C@]3(C[N@H+](Cc4nccs4)C[C@H]3c3ccnn3C)C2=O)cs1 ZINC000306141145 568771901 /nfs/dbraw/zinc/77/19/01/568771901.db2.gz VMMJMNPEFDIFLO-LAUBAEHRSA-N 1 1 442.614 3.050 40 0 IGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3nccs3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306142645 568772847 /nfs/dbraw/zinc/77/28/47/568772847.db2.gz XFLOQYHMFOJVGT-CVDCTZTESA-N 1 1 436.585 3.334 40 0 IGABMO CCc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccc(OC)cc4)C[C@@H]3C2)cc1 ZINC000306143612 568773435 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DTPRFKBULLYJPN-GOSISDBHSA-N 1 1 447.605 3.238 40 0 IGABMO CNc1cc(CN(C)S(=O)(=O)c2cc(C(C)C)ccc2OC)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000019760745 569237766 /nfs/dbraw/zinc/23/77/66/569237766.db2.gz DTPRFKBULLYJPN-SFHVURJKSA-N 1 1 447.605 3.238 40 0 IGABMO CNc1cc(CN(C)S(=O)(=O)c2cc(C(C)C)ccc2OC)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000019760745 569237767 /nfs/dbraw/zinc/23/77/67/569237767.db2.gz DTPRFKBULLYJPN-SFHVURJKSA-N 1 1 447.605 3.238 40 0 IGABMO CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C1CCC1)CC2=O ZINC000253395971 569264572 /nfs/dbraw/zinc/26/45/72/569264572.db2.gz CWODFQKZTPAJES-YGICRIAWSA-N 1 1 439.600 3.369 40 0 IGABMO CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCC1)CC2=O ZINC000253395971 569264573 /nfs/dbraw/zinc/26/45/73/569264573.db2.gz CWODFQKZTPAJES-YGICRIAWSA-N 1 1 439.600 3.369 40 0 IGABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C1)OCCO2 ZINC000019698959 569327081 /nfs/dbraw/zinc/32/70/81/569327081.db2.gz YULKETIKFSJIRS-QGZVFWFLSA-N 1 1 448.523 3.335 40 0 IGABMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000035808682 524866300 /nfs/dbraw/zinc/86/63/00/524866300.db2.gz WOUAGUDTSZIBLI-HBAYXTBCSA-N 1 1 425.460 3.113 40 0 IGABMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000035808682 524866309 /nfs/dbraw/zinc/86/63/09/524866309.db2.gz WOUAGUDTSZIBLI-HBAYXTBCSA-N 1 1 425.460 3.113 40 0 IGABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4)n3)ccn2)CC1 ZINC000035424655 526857737 /nfs/dbraw/zinc/85/77/37/526857737.db2.gz DTCSAQOBIGIMHS-FQEVSTJZSA-N 1 1 432.528 3.170 40 0 biogenic,in-vitro IGABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)ccn2)CC1 ZINC000035424655 526857742 /nfs/dbraw/zinc/85/77/42/526857742.db2.gz DTCSAQOBIGIMHS-FQEVSTJZSA-N 1 1 432.528 3.170 40 0 biogenic,in-vitro IGABMO Cn1cccc1[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000021151891 527402442 /nfs/dbraw/zinc/40/24/42/527402442.db2.gz MOKRPGIOHBIRIT-WIOPSUGQSA-N 1 1 442.563 3.294 40 0 IGABMO Cn1cccc1[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000021151891 527402446 /nfs/dbraw/zinc/40/24/46/527402446.db2.gz MOKRPGIOHBIRIT-WIOPSUGQSA-N 1 1 442.563 3.294 40 0 IGABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000034689872 555803382 /nfs/dbraw/zinc/80/33/82/555803382.db2.gz QXYIDKKHZBJMFP-DBHNTLKXSA-N 1 1 442.302 3.425 40 0 IGABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000034689872 555803384 /nfs/dbraw/zinc/80/33/84/555803384.db2.gz QXYIDKKHZBJMFP-DBHNTLKXSA-N 1 1 442.302 3.425 40 0 IGABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000257339964 556707115 /nfs/dbraw/zinc/70/71/15/556707115.db2.gz ZDXWOHFWTNNUTC-MHZLTWQESA-N 1 1 442.563 3.067 40 0 IGABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000257339964 556707117 /nfs/dbraw/zinc/70/71/17/556707117.db2.gz ZDXWOHFWTNNUTC-MHZLTWQESA-N 1 1 442.563 3.067 40 0 IGABMO Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C3CCC(C)CC3)CC4)C2)cn1 ZINC000019214861 556711606 /nfs/dbraw/zinc/71/16/06/556711606.db2.gz KERRVFVDHYSZDF-SGDIKTSBSA-N 1 1 449.599 3.430 40 0 IGABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc(OCc2cccnc2)c1 ZINC000257302214 556717524 /nfs/dbraw/zinc/71/75/24/556717524.db2.gz SBZDGXCDYXJMNP-VWLOTQADSA-N 1 1 430.552 3.093 40 0 IGABMO O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343599 556741529 /nfs/dbraw/zinc/74/15/29/556741529.db2.gz DQOYQWZNYMWPOF-ZWKOTPCHSA-N 1 1 438.597 3.452 40 0 IGABMO O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019370649 556747799 /nfs/dbraw/zinc/74/77/99/556747799.db2.gz AWJYYSSSFYLBKL-HXUWFJFHSA-N 1 1 434.584 3.409 40 0 IGABMO O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019370229 556747870 /nfs/dbraw/zinc/74/78/70/556747870.db2.gz 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436.604 3.468 40 0 IGABMO CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2cc(OC)ccc21 ZINC000019524741 556782181 /nfs/dbraw/zinc/78/21/81/556782181.db2.gz PCFHNJDEKMDDDC-WPUZRXDDSA-N 1 1 436.556 3.093 40 0 IGABMO COc1cc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)ccc1OC(F)F ZINC000019550114 556795113 /nfs/dbraw/zinc/79/51/13/556795113.db2.gz KFJYKWLSJXATNR-UHFFFAOYSA-N 1 1 428.439 3.043 40 0 IGABMO Cc1scc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](Cc3cccnc3)C4)C2)c1C ZINC000019561829 556803301 /nfs/dbraw/zinc/80/33/01/556803301.db2.gz VQEPKJGDZXRULO-GOSISDBHSA-N 1 1 449.580 3.444 40 0 IGABMO Cc1scc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](Cc3cccnc3)C4)C2)c1C ZINC000019561829 556803303 /nfs/dbraw/zinc/80/33/03/556803303.db2.gz VQEPKJGDZXRULO-GOSISDBHSA-N 1 1 449.580 3.444 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019570578 556810838 /nfs/dbraw/zinc/81/08/38/556810838.db2.gz YOPAFSIOMFULCR-AZUAARDMSA-N 1 1 448.567 3.421 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019570581 556810893 /nfs/dbraw/zinc/81/08/93/556810893.db2.gz YOPAFSIOMFULCR-ICSRJNTNSA-N 1 1 448.567 3.421 40 0 IGABMO COCC[N@H+]1C[C@H](c2ccccc2)OC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1 ZINC000019593387 556829852 /nfs/dbraw/zinc/82/98/52/556829852.db2.gz GBSKZWCFBODMNI-XMMPIXPASA-N 1 1 438.568 3.319 40 0 IGABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H](c3ccc(-c4cncnc4)cn3)C2)c1 ZINC000019689261 556844028 /nfs/dbraw/zinc/84/40/28/556844028.db2.gz IKGXQROZECLYHK-NRFANRHFSA-N 1 1 431.540 3.385 40 0 IGABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H](c3ccc(-c4cncnc4)cn3)C2)c1 ZINC000019689261 556844031 /nfs/dbraw/zinc/84/40/31/556844031.db2.gz IKGXQROZECLYHK-NRFANRHFSA-N 1 1 431.540 3.385 40 0 IGABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(C(=O)C3CCC3)c3ccccc13)C(=O)CC2 ZINC000019703447 556861860 /nfs/dbraw/zinc/86/18/60/556861860.db2.gz RNRXEXWPYVWZFZ-UHFFFAOYSA-N 1 1 431.540 3.421 40 0 IGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(NCCOc3ccc(C)cc3C)c2C1 ZINC000019711305 556875447 /nfs/dbraw/zinc/87/54/47/556875447.db2.gz YFVMTGCXUWAXTB-FQEVSTJZSA-N 1 1 437.588 3.298 40 0 IGABMO COc1ccc(CCNc2nc([C@H]3CCC[N@@H+](C)C3)nc3c2CN(C(C)=O)CC3)cc1C ZINC000019711314 556875536 /nfs/dbraw/zinc/87/55/36/556875536.db2.gz YMVTYAIPOBJJOD-FQEVSTJZSA-N 1 1 437.588 3.162 40 0 IGABMO COc1ccc(CCCNc2nc([C@@H]3CCC[N@@H+](C)C3)nc3c2CN(C(C)=O)CC3)cc1 ZINC000019711331 556875698 /nfs/dbraw/zinc/87/56/98/556875698.db2.gz VMKLGKBETQHVAP-HXUWFJFHSA-N 1 1 437.588 3.244 40 0 IGABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000408874096 556875704 /nfs/dbraw/zinc/87/57/04/556875704.db2.gz YOJMFYOTQCVGDP-UHFFFAOYSA-N 1 1 444.535 3.369 40 0 IGABMO COc1ccc(CCCNc2nc([C@H]3CCC[N@@H+](C)C3)nc3c2CN(C(C)=O)CC3)cc1 ZINC000019711332 556875810 /nfs/dbraw/zinc/87/58/10/556875810.db2.gz VMKLGKBETQHVAP-FQEVSTJZSA-N 1 1 437.588 3.244 40 0 IGABMO O=C(C[NH+]1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)NCc1ccccn1 ZINC000019744012 556889374 /nfs/dbraw/zinc/88/93/74/556889374.db2.gz PLIVNYQJDHBRET-XMMPIXPASA-N 1 1 434.584 3.239 40 0 IGABMO CC(C)CNC(=O)c1cc([C@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761382 556904750 /nfs/dbraw/zinc/90/47/50/556904750.db2.gz KMYAXFDTRIEENV-IBGZPJMESA-N 1 1 432.572 3.466 40 0 IGABMO C[C@@H](Cc1ccccc1F)[N@H+]1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334502 556907070 /nfs/dbraw/zinc/90/70/70/556907070.db2.gz KDOCXHMOBZQGDQ-WOILTVAASA-N 1 1 437.559 3.328 40 0 IGABMO COCCOc1cccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 ZINC000019762983 556907670 /nfs/dbraw/zinc/90/76/70/556907670.db2.gz ZLBPDHWJZWRMLD-NRFANRHFSA-N 1 1 438.572 3.426 40 0 IGABMO Cc1cc(C)nc(N2CCC[C@@H](c3nc(N4CC[NH+](C)CC4)ncc3-c3ccncc3)C2)n1 ZINC000072338394 556910746 /nfs/dbraw/zinc/91/07/46/556910746.db2.gz GWBPKWRSMMXTOQ-OAQYLSRUSA-N 1 1 444.587 3.081 40 0 IGABMO C[C@]1(C2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CCCCN(Cc2ccccc2)C1=O ZINC000072371979 556941671 /nfs/dbraw/zinc/94/16/71/556941671.db2.gz DUKRWGONNSYXKR-AREMUKBSSA-N 1 1 441.616 3.166 40 0 IGABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)COCCN2CCCC2=O)[nH+]1 ZINC000072372638 556943414 /nfs/dbraw/zinc/94/34/14/556943414.db2.gz CTBLHUGTCRSXRY-NRFANRHFSA-N 1 1 437.544 3.140 40 0 IGABMO COc1cccc(CC(=O)N2CCC[C@@H]2c2ccc3c(n[nH]c3NC3CC[NH+](C)CC3)n2)c1 ZINC000072374518 556948055 /nfs/dbraw/zinc/94/80/55/556948055.db2.gz UEMYQKROLPTEKU-JOCHJYFZSA-N 1 1 448.571 3.379 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000019932562 556949413 /nfs/dbraw/zinc/94/94/13/556949413.db2.gz QWPPFYDIHGWGDC-HSZRJFAPSA-N 1 1 449.661 3.308 40 0 IGABMO CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000257295010 556999931 /nfs/dbraw/zinc/99/99/31/556999931.db2.gz QWPHMSAXUAZNNC-YLJYHZDGSA-N 1 1 436.560 3.090 40 0 IGABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000585103421 557037119 /nfs/dbraw/zinc/03/71/19/557037119.db2.gz GKNSBYWXHUGOPM-NRFANRHFSA-N 1 1 429.586 3.082 40 0 IGABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106222 557039661 /nfs/dbraw/zinc/03/96/61/557039661.db2.gz XOTRNKIJKPNXSZ-UHOSZYNNSA-N 1 1 439.556 3.140 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000216481200 557147827 /nfs/dbraw/zinc/14/78/27/557147827.db2.gz XCZIEXDEQGEBHY-SFHVURJKSA-N 1 1 440.569 3.268 40 0 IGABMO Cc1cccc(C2(C(=O)N3CC[C@@](O)(C[N@@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)c1 ZINC000585261869 557197406 /nfs/dbraw/zinc/19/74/06/557197406.db2.gz CTRKTSKJTRODFG-RUZDIDTESA-N 1 1 440.559 3.278 40 0 IGABMO O[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000585269624 557213375 /nfs/dbraw/zinc/21/33/75/557213375.db2.gz CUJRHLNHQHHMQB-SVBPBHIXSA-N 1 1 444.579 3.028 40 0 IGABMO O[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000585269624 557213378 /nfs/dbraw/zinc/21/33/78/557213378.db2.gz CUJRHLNHQHHMQB-SVBPBHIXSA-N 1 1 444.579 3.028 40 0 IGABMO COc1ccc([C@H](c2nnnn2Cc2ccco2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929582 557273891 /nfs/dbraw/zinc/27/38/91/557273891.db2.gz LXUAMVYGEHLZKJ-XMMPIXPASA-N 1 1 444.539 3.230 40 0 IGABMO Cc1cccc(N(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1C ZINC000222630458 557365499 /nfs/dbraw/zinc/36/54/99/557365499.db2.gz ZOLFRDCZISIXTR-UHFFFAOYSA-N 1 1 443.613 3.194 40 0 IGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cc(C)ccc4OC)C[C@@H]32)c(OCC)n1 ZINC000019531681 557500322 /nfs/dbraw/zinc/50/03/22/557500322.db2.gz SXPYBZZQDYHDFU-GERBCZOESA-N 1 1 427.545 3.321 40 0 IGABMO Cc1cccc2cc(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCC3)c(=O)[nH]c12 ZINC000019822806 557507968 /nfs/dbraw/zinc/50/79/68/557507968.db2.gz LSCHDTPZFUQNSX-UHFFFAOYSA-N 1 1 442.629 3.178 40 0 IGABMO CC[C@@H](C)NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000020081333 557514719 /nfs/dbraw/zinc/51/47/19/557514719.db2.gz UJVVKOJZDCLZAU-LJQANCHMSA-N 1 1 444.645 3.342 40 0 IGABMO CC(C)[N@@H+](Cc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585285685 568618828 /nfs/dbraw/zinc/61/88/28/568618828.db2.gz SDGMKEDNLPEWEG-UPVQGACJSA-N 1 1 430.976 3.117 40 0 IGABMO CCc1[nH+]ccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(C)=O)[C@@H]2Cc1ccccc1 ZINC000257216910 568672739 /nfs/dbraw/zinc/67/27/39/568672739.db2.gz CWQHZHRBGHJIJH-KDHQNNTKSA-N 1 1 434.584 3.447 40 0 IGABMO Cc1cc(C[C@H]2CCC[C@@H]3C[N@@H+](CC(=O)Nc4ccc5c(c4)OCCCO5)C[C@@H]32)ncn1 ZINC000257230158 568679065 /nfs/dbraw/zinc/67/90/65/568679065.db2.gz GBBZMDJXHSROHD-WOIUINJBSA-N 1 1 436.556 3.476 40 0 IGABMO CCN(C(=O)CN1CC[C@@]2(CCC[N@H+]2CCc2ccccc2)[C@@H](O)C1)c1cccc(C)c1 ZINC000257262582 568694484 /nfs/dbraw/zinc/69/44/84/568694484.db2.gz LLZRAQMLOCWXBN-BDYUSTAISA-N 1 1 435.612 3.492 40 0 IGABMO CNc1nc([C@@H]2CC[N@@H+](Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CN(C(C)=O)CC2 ZINC000257273689 568699211 /nfs/dbraw/zinc/69/92/11/568699211.db2.gz NHSOOAZGRCRZBR-LJQANCHMSA-N 1 1 437.588 3.346 40 0 IGABMO COc1c(C)cccc1C[N@H+]1Cc2cn(C)nc2[C@@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000257293220 568708166 /nfs/dbraw/zinc/70/81/66/568708166.db2.gz QOPMTLJFYWCOHR-QFIPXVFZSA-N 1 1 436.531 3.335 40 0 IGABMO COc1c(C)cccc1C[N@@H+]1Cc2cn(C)nc2[C@@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000257293220 568708168 /nfs/dbraw/zinc/70/81/68/568708168.db2.gz QOPMTLJFYWCOHR-QFIPXVFZSA-N 1 1 436.531 3.335 40 0 IGABMO CC(C)n1nccc1NC(=O)C[N@@H+]1CCC[C@@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257297061 568710210 /nfs/dbraw/zinc/71/02/10/568710210.db2.gz RFPYFGUTWGGDNA-QHCPKHFHSA-N 1 1 425.533 3.280 40 0 IGABMO CC(C)n1nccc1NC(=O)C[N@H+]1CCC[C@@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257297061 568710211 /nfs/dbraw/zinc/71/02/11/568710211.db2.gz RFPYFGUTWGGDNA-QHCPKHFHSA-N 1 1 425.533 3.280 40 0 IGABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@@H](Cc3cccn4nccc34)C2)c1 ZINC000257304022 568713008 /nfs/dbraw/zinc/71/30/08/568713008.db2.gz SJTNFACAPYHUMQ-NRFANRHFSA-N 1 1 429.524 3.219 40 0 IGABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccccc1F)C[C@H]2c1cccnc1 ZINC000306129698 568765887 /nfs/dbraw/zinc/76/58/87/568765887.db2.gz IKJLMXRKKDDTFB-DHLKQENFSA-N 1 1 432.499 3.013 40 0 IGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccncc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132450 568767210 /nfs/dbraw/zinc/76/72/10/568767210.db2.gz LJDABMSMVDASKM-RDGATRHJSA-N 1 1 430.556 3.272 40 0 IGABMO Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@]2(CC3)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000306135600 568769047 /nfs/dbraw/zinc/76/90/47/568769047.db2.gz OVMAHKXUAHNZMP-SANMLTNESA-N 1 1 428.536 3.029 40 0 IGABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](Cc4ccco4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306136623 568769441 /nfs/dbraw/zinc/76/94/41/568769441.db2.gz PYSHDTWZUCEROF-ILBGXUMGSA-N 1 1 433.508 3.080 40 0 IGABMO Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CC[NH+](Cc4cccc(F)c4)CC3)O2)cc1 ZINC000306138878 568770919 /nfs/dbraw/zinc/77/09/19/568770919.db2.gz SJYFJPKRHWFMJC-HSZRJFAPSA-N 1 1 425.548 3.116 40 0 IGABMO 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COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000248169256 569207495 /nfs/dbraw/zinc/20/74/95/569207495.db2.gz QSCZLDJPSQOILF-OZXSUGGESA-N 1 1 438.568 3.257 40 0 IGABMO O=C(C[C@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019014642 569226133 /nfs/dbraw/zinc/22/61/33/569226133.db2.gz BDBTVIJBCFUENB-WIYYLYMNSA-N 1 1 428.577 3.496 40 0 IGABMO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC000019702449 569232059 /nfs/dbraw/zinc/23/20/59/569232059.db2.gz YTAPQWWMGVIVOJ-INIZCTEOSA-N 1 1 439.585 3.123 40 0 IGABMO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)COc3ccccc3F)C2)c1Cn1cc[nH+]c1C ZINC000019707634 569234481 /nfs/dbraw/zinc/23/44/81/569234481.db2.gz KUDFOWJGIGXOPC-GOSISDBHSA-N 1 1 448.502 3.125 40 0 IGABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)c1cc3ccc(OC)cc3n1C)C2 ZINC000019708805 569234622 /nfs/dbraw/zinc/23/46/22/569234622.db2.gz OYPQXCLQEHXHOL-KRWDZBQOSA-N 1 1 448.571 3.026 40 0 IGABMO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000009332853 569295736 /nfs/dbraw/zinc/29/57/36/569295736.db2.gz ATPCUYQGOXKMIT-XNGFIGEISA-N 1 1 442.302 3.425 40 0 IGABMO COC[C@]1([NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218243035 569456829 /nfs/dbraw/zinc/45/68/29/569456829.db2.gz GDAWVYQNHOEKME-IKGGRYGDSA-N 1 1 430.751 3.386 40 0 IGABMO COC[C@@]1([NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218242998 569456895 /nfs/dbraw/zinc/45/68/95/569456895.db2.gz GDAWVYQNHOEKME-IXDOHACOSA-N 1 1 430.751 3.386 40 0 IGABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4)n3)ccn2)CC1 ZINC000049154928 291352301 /nfs/dbraw/zinc/35/23/01/291352301.db2.gz UIIJFCHOEGUCJP-NRFANRHFSA-N 1 1 432.528 3.137 40 0 biogenic,in-vitro IGABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)ccn2)CC1 ZINC000049154928 291352302 /nfs/dbraw/zinc/35/23/02/291352302.db2.gz UIIJFCHOEGUCJP-NRFANRHFSA-N 1 1 432.528 3.137 40 0 biogenic,in-vitro IGABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4C)n3)ccn2)CC1 ZINC000049155011 291352571 /nfs/dbraw/zinc/35/25/71/291352571.db2.gz YZEGBVNTCGMZDW-QFIPXVFZSA-N 1 1 446.555 3.446 40 0 biogenic,in-vitro IGABMO CCC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036719466 521120215 /nfs/dbraw/zinc/12/02/15/521120215.db2.gz KIMUWKWTVCEMJL-JYFHCDHNSA-N 1 1 438.568 3.401 40 0 IGABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2Cl)CC1 ZINC000035292433 521692873 /nfs/dbraw/zinc/69/28/73/521692873.db2.gz WGBXXDNBHXEZGL-OAQYLSRUSA-N 1 1 426.952 3.110 40 0 IGABMO COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](C(C)C)CC1 ZINC000012187105 524776217 /nfs/dbraw/zinc/77/62/17/524776217.db2.gz UKWZPXMRCGIEPN-KRWDZBQOSA-N 1 1 434.540 3.163 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000020460332 527369756 /nfs/dbraw/zinc/36/97/56/527369756.db2.gz QOXBKMQPWRFMTE-UHFFFAOYSA-N 1 1 440.569 3.387 40 0 IGABMO C[N@@H+](CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000002568242 555787868 /nfs/dbraw/zinc/78/78/68/555787868.db2.gz BQBSHJUQVIWEFM-MRXNPFEDSA-N 1 1 447.384 3.279 40 0 in-vivo IGABMO CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/CC[NH+]1CCN(C)CC1)c1ccccc1S2 ZINC000029747244 556481258 /nfs/dbraw/zinc/48/12/58/556481258.db2.gz GFBKORZTTCHDGY-UFWORHAWSA-N 1 1 443.638 3.471 40 0 in-man IGABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@H+](CC(=O)N3CCC(C)CC3)C2)on1 ZINC000019124125 556702583 /nfs/dbraw/zinc/70/25/83/556702583.db2.gz HNLLVVNCPKSPCI-IBGZPJMESA-N 1 1 436.560 3.439 40 0 IGABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCCn2cccn2)cc1 ZINC000257245587 556710746 /nfs/dbraw/zinc/71/07/46/556710746.db2.gz IQFUZIGRUGSILI-NRFANRHFSA-N 1 1 425.529 3.233 40 0 IGABMO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000257265133 556713067 /nfs/dbraw/zinc/71/30/67/556713067.db2.gz LXKWMQQHMIVOTK-RUZDIDTESA-N 1 1 435.572 3.047 40 0 IGABMO Cc1c(C)n(C[C@H](O)C[N@H+](C)Cc2ccc(OCCOCCO)cc2)c2ccccc12 ZINC000257270883 556713687 /nfs/dbraw/zinc/71/36/87/556713687.db2.gz MWAGNCMBUHBTEX-JOCHJYFZSA-N 1 1 426.557 3.139 40 0 IGABMO O=C1CO[C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]2N1CCc1ccccc1 ZINC000257280060 556714805 /nfs/dbraw/zinc/71/48/05/556714805.db2.gz OJHBQNAQESZKLI-AHWVRZQESA-N 1 1 443.547 3.315 40 0 IGABMO O=C1CO[C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]2N1CCc1ccccc1 ZINC000257280060 556714810 /nfs/dbraw/zinc/71/48/10/556714810.db2.gz OJHBQNAQESZKLI-AHWVRZQESA-N 1 1 443.547 3.315 40 0 IGABMO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000019343430 556741080 /nfs/dbraw/zinc/74/10/80/556741080.db2.gz IWTHTCQNIOMIFD-GOSISDBHSA-N 1 1 438.601 3.374 40 0 IGABMO O=C(NCc1cccnc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372478 556748979 /nfs/dbraw/zinc/74/89/79/556748979.db2.gz YERGSMOKTCEDOT-GOTSBHOMSA-N 1 1 442.567 3.004 40 0 IGABMO O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405376 556755047 /nfs/dbraw/zinc/75/50/47/556755047.db2.gz ZBJIDUCMINVMNG-NRFANRHFSA-N 1 1 449.580 3.081 40 0 IGABMO O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405376 556755049 /nfs/dbraw/zinc/75/50/49/556755049.db2.gz ZBJIDUCMINVMNG-NRFANRHFSA-N 1 1 449.580 3.081 40 0 IGABMO C[C@H](Nc1nc(N2CCOCC2)nc2c1CC[N@H+](Cc1ccccc1)C2)c1ccccn1 ZINC000019459574 556767136 /nfs/dbraw/zinc/76/71/36/556767136.db2.gz HTKMJRRBEBYVRS-IBGZPJMESA-N 1 1 430.556 3.440 40 0 IGABMO C[C@H](Nc1nc(N2CCOCC2)nc2c1CC[N@@H+](Cc1ccccc1)C2)c1ccccn1 ZINC000019459574 556767141 /nfs/dbraw/zinc/76/71/41/556767141.db2.gz HTKMJRRBEBYVRS-IBGZPJMESA-N 1 1 430.556 3.440 40 0 IGABMO CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)c1C ZINC000019520950 556777686 /nfs/dbraw/zinc/77/76/86/556777686.db2.gz JLAILPBPYVVNRG-FQEVSTJZSA-N 1 1 438.576 3.444 40 0 IGABMO CCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)cn1 ZINC000019526086 556783746 /nfs/dbraw/zinc/78/37/46/556783746.db2.gz ZQJHMCNQWVEMTO-OAQYLSRUSA-N 1 1 438.576 3.457 40 0 IGABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019551505 556795689 /nfs/dbraw/zinc/79/56/89/556795689.db2.gz MYIZKMXTBSDYKA-RPVQJOFSSA-N 1 1 425.455 3.495 40 0 IGABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019551507 556795899 /nfs/dbraw/zinc/79/58/99/556795899.db2.gz MYIZKMXTBSDYKA-QANKJYHBSA-N 1 1 425.455 3.495 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)c1 ZINC000019565183 556805849 /nfs/dbraw/zinc/80/58/49/556805849.db2.gz MWTBWQHPYRDJKI-QHCPKHFHSA-N 1 1 448.571 3.278 40 0 IGABMO Cc1cc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)c(C)s1 ZINC000019567957 556808202 /nfs/dbraw/zinc/80/82/02/556808202.db2.gz ZFOAKVVCMKYEEV-KRWDZBQOSA-N 1 1 426.586 3.123 40 0 IGABMO CN(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000019584997 556822130 /nfs/dbraw/zinc/82/21/30/556822130.db2.gz MIICOXRKNGLVLM-SQJMNOBHSA-N 1 1 438.547 3.359 40 0 IGABMO CN(C)c1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000019584997 556822134 /nfs/dbraw/zinc/82/21/34/556822134.db2.gz MIICOXRKNGLVLM-SQJMNOBHSA-N 1 1 438.547 3.359 40 0 IGABMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000064164319 556823210 /nfs/dbraw/zinc/82/32/10/556823210.db2.gz QMRDWBOJBXXNFN-BSWQBHCVSA-N 1 1 433.508 3.442 40 0 IGABMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019587785 556823945 /nfs/dbraw/zinc/82/39/45/556823945.db2.gz KIQVMJBAZSLZHP-XMSQKQJNSA-N 1 1 445.560 3.185 40 0 IGABMO COc1cccc2cc(C[N@@H+](C)Cc3ccc([C@H]4CN(C(C)=O)C[C@@H]4C(N)=O)cc3)oc21 ZINC000019699268 556858608 /nfs/dbraw/zinc/85/86/08/556858608.db2.gz XOCGTSPMTCTDEP-YADHBBJMSA-N 1 1 435.524 3.121 40 0 IGABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)C(C)(C)c1cccc(F)c1)CC2 ZINC000019710310 556872500 /nfs/dbraw/zinc/87/25/00/556872500.db2.gz FOYKCWVZBQBYAT-INIZCTEOSA-N 1 1 425.552 3.329 40 0 IGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCc3ccccc3N3CCCC3)c2C1 ZINC000019711319 556875560 /nfs/dbraw/zinc/87/55/60/556875560.db2.gz OVSDXFLIZTVOCQ-OAQYLSRUSA-N 1 1 448.615 3.403 40 0 IGABMO COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)ccc12 ZINC000019742881 556886742 /nfs/dbraw/zinc/88/67/42/556886742.db2.gz FTQGWAOUGWSCAL-LJQANCHMSA-N 1 1 448.571 3.380 40 0 IGABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)nc2C)c1 ZINC000019753305 556897117 /nfs/dbraw/zinc/89/71/17/556897117.db2.gz JYQKCXIRCRZWAZ-OAQYLSRUSA-N 1 1 431.540 3.498 40 0 IGABMO CCn1ccnc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000019756343 556900042 /nfs/dbraw/zinc/90/00/42/556900042.db2.gz RMRUDUKTAMLFMJ-UHFFFAOYSA-N 1 1 438.551 3.160 40 0 IGABMO CCc1ncc(C[N@@H+]2CC[C@@H](c3ncc(C(=O)NCc4cccc(OC)c4)c(C)n3)C2)cn1 ZINC000019757921 556901742 /nfs/dbraw/zinc/90/17/42/556901742.db2.gz FUVRTWKNJKLAMS-HXUWFJFHSA-N 1 1 446.555 3.066 40 0 IGABMO CCc1ncc(C[N@H+]2CC[C@@H](c3ncc(C(=O)NCc4cccc(OC)c4)c(C)n3)C2)cn1 ZINC000019757921 556901747 /nfs/dbraw/zinc/90/17/47/556901747.db2.gz FUVRTWKNJKLAMS-HXUWFJFHSA-N 1 1 446.555 3.066 40 0 IGABMO COc1ccccc1Cc1cc(C)nc([C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)c1 ZINC000072354101 556929153 /nfs/dbraw/zinc/92/91/53/556929153.db2.gz DVLQWFVEMHSTJU-QHCPKHFHSA-N 1 1 437.584 3.418 40 0 IGABMO COCc1nnc(NC(=O)C2(Cc3cccc([C@H]4CCC[N@@H+](C)C4)c3)CCOCC2)s1 ZINC000072372217 556941934 /nfs/dbraw/zinc/94/19/34/556941934.db2.gz IZYWVNFQKRCJTB-IBGZPJMESA-N 1 1 444.601 3.472 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c(OC)c1OC ZINC000072390063 556960237 /nfs/dbraw/zinc/96/02/37/556960237.db2.gz LZMWPMQXZBMLLW-MRXNPFEDSA-N 1 1 425.489 3.240 40 0 IGABMO COc1ccc2c(c1)c([C@H]1C[N@@H+](Cc3ccc(OC)c(OC)c3)C[C@@H]1NC(C)=O)cn2C ZINC000072395551 556967369 /nfs/dbraw/zinc/96/73/69/556967369.db2.gz VSYTYYYUQBXJLG-YADHBBJMSA-N 1 1 437.540 3.308 40 0 IGABMO C[NH+](C)CC(=O)N1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)c2cc(Cl)ccc21 ZINC000585104580 557037411 /nfs/dbraw/zinc/03/74/11/557037411.db2.gz QOAYRJJZAGUHNG-UHFFFAOYSA-N 1 1 443.950 3.490 40 0 IGABMO O=C1C[C@@]2(CN1Cc1ccccc1)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104811 557037891 /nfs/dbraw/zinc/03/78/91/557037891.db2.gz UKVZVOKHDROUBJ-XMMPIXPASA-N 1 1 434.565 3.456 40 0 IGABMO CN(C)c1nc(N2CCC3(CC2)CN(C(=O)Cc2ccccn2)Cc2ccccc23)cc[nH+]1 ZINC000096242645 557186512 /nfs/dbraw/zinc/18/65/12/557186512.db2.gz QRXQBRHTFSXTII-UHFFFAOYSA-N 1 1 442.567 3.061 40 0 IGABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@](O)(COc2ccc(C)cc2C)CC1 ZINC000585274088 557218418 /nfs/dbraw/zinc/21/84/18/557218418.db2.gz RAORFBYDNYGNBC-RUZDIDTESA-N 1 1 426.557 3.224 40 0 IGABMO 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Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033726326 557353889 /nfs/dbraw/zinc/35/38/89/557353889.db2.gz ZNIAEOAOTYSHDY-FVJVTNMWSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019220837 557498155 /nfs/dbraw/zinc/49/81/55/557498155.db2.gz PDTZOUQQAWYXDX-OFNKIYASSA-N 1 1 447.587 3.198 40 0 IGABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(S(=O)(=O)N3CCCC3)c(Cl)cc1Cl)C2 ZINC000002789865 557522125 /nfs/dbraw/zinc/52/21/25/557522125.db2.gz PDCDOEQNBTZGRB-AGUYFDCRSA-N 1 1 446.400 3.133 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000225525393 557735953 /nfs/dbraw/zinc/73/59/53/557735953.db2.gz XJNRDXLYTJZKJF-NHCUHLMSSA-N 1 1 435.634 3.167 40 0 IGABMO CSc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1NC(C)=O ZINC000225789882 557778087 /nfs/dbraw/zinc/77/80/87/557778087.db2.gz KKXKXUZZMZDDEP-UHFFFAOYSA-N 1 1 433.599 3.094 40 0 IGABMO 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3.042 40 0 IGABMO CCn1c(C[N@@H+]2CCC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)nc2ccccc21 ZINC000072345587 523191656 /nfs/dbraw/zinc/19/16/56/523191656.db2.gz CNCJKMXSLGKCQJ-IBGZPJMESA-N 1 1 448.571 3.007 40 0 IGABMO CCn1c(C[N@H+]2CCC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)nc2ccccc21 ZINC000072345587 523191663 /nfs/dbraw/zinc/19/16/63/523191663.db2.gz CNCJKMXSLGKCQJ-IBGZPJMESA-N 1 1 448.571 3.007 40 0 IGABMO Cc1ccc(C)c(N(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000408705442 556113521 /nfs/dbraw/zinc/11/35/21/556113521.db2.gz FVHHIKVLTADAIQ-UHFFFAOYSA-N 1 1 443.613 3.194 40 0 IGABMO COc1ccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1OC ZINC000014878099 556452244 /nfs/dbraw/zinc/45/22/44/556452244.db2.gz AREMQAINPYHQRS-UHFFFAOYSA-N 1 1 436.512 3.031 40 0 IGABMO C[NH+]1CCN(C(=O)/C(=C\c2ccc(Br)cc2)NC(=O)c2cccs2)CC1 ZINC000013615081 556535333 /nfs/dbraw/zinc/53/53/33/556535333.db2.gz XJRLLRNDFLKPDM-DTQAZKPQSA-N 1 1 434.359 3.056 40 0 IGABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2Cl)CC1 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IGABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)c1 ZINC000072356454 557387728 /nfs/dbraw/zinc/38/77/28/557387728.db2.gz LXOURDWTPIRXLO-NRFANRHFSA-N 1 1 431.540 3.221 40 0 IGABMO O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101969184 557457767 /nfs/dbraw/zinc/45/77/67/557457767.db2.gz SERUAYRWBDLZJN-PEPAQOBHSA-N 1 1 444.583 3.413 40 0 IGABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C)cc2c1 ZINC000019823895 557508197 /nfs/dbraw/zinc/50/81/97/557508197.db2.gz JXVXEKSCUSJLSV-UHFFFAOYSA-N 1 1 444.645 3.200 40 0 IGABMO COc1ccc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2c1 ZINC000224754910 557647951 /nfs/dbraw/zinc/64/79/51/557647951.db2.gz OGMBSOMVQKPWHQ-UHFFFAOYSA-N 1 1 426.538 3.159 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000225450121 557724114 /nfs/dbraw/zinc/72/41/14/557724114.db2.gz BTMFGRGDLFTCGS-UHFFFAOYSA-N 1 1 429.571 3.063 40 0 IGABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)c1 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ZINC000585273560 557215883 /nfs/dbraw/zinc/21/58/83/557215883.db2.gz PJEDMEXBSSLACK-QHCPKHFHSA-N 1 1 432.948 3.049 40 0 IGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585284977 557224439 /nfs/dbraw/zinc/22/44/39/557224439.db2.gz BFMNUXHDXDWMQC-JIOQYBSPSA-N 1 1 427.532 3.109 40 0 IGABMO COc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929585 557273902 /nfs/dbraw/zinc/27/39/02/557273902.db2.gz LXUAMVYGEHLZKJ-DEOSSOPVSA-N 1 1 444.539 3.230 40 0 IGABMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 ZINC000101163493 557283867 /nfs/dbraw/zinc/28/38/67/557283867.db2.gz CAGHTDCHZDXWKS-LJQANCHMSA-N 1 1 431.508 3.451 40 0 IGABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000113933536 557309818 /nfs/dbraw/zinc/30/98/18/557309818.db2.gz RIDQAJVLZXTIKE-UHFFFAOYSA-N 1 1 447.626 3.076 40 0 IGABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)c1 ZINC000072356455 557387792 /nfs/dbraw/zinc/38/77/92/557387792.db2.gz LXOURDWTPIRXLO-OAQYLSRUSA-N 1 1 431.540 3.221 40 0 IGABMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)c1OC ZINC000013993258 557401140 /nfs/dbraw/zinc/40/11/40/557401140.db2.gz ANSJBBMDDBAHPC-LJQANCHMSA-N 1 1 425.529 3.075 40 0 IGABMO COc1cccc(C[N@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)c1OC ZINC000013993258 557401144 /nfs/dbraw/zinc/40/11/44/557401144.db2.gz ANSJBBMDDBAHPC-LJQANCHMSA-N 1 1 425.529 3.075 40 0 IGABMO CC[C@@H](C)NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000020081306 557514745 /nfs/dbraw/zinc/51/47/45/557514745.db2.gz MSVGRDXJXGYOCH-GOSISDBHSA-N 1 1 430.618 3.034 40 0 IGABMO COC(=O)CSc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)s1 ZINC000225469148 557726311 /nfs/dbraw/zinc/72/63/11/557726311.db2.gz LMHRXNAFIUCJLU-ZDUSSCGKSA-N 1 1 440.978 3.307 40 0 IGABMO COC(=O)CSc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)s1 ZINC000225469148 557726312 /nfs/dbraw/zinc/72/63/12/557726312.db2.gz LMHRXNAFIUCJLU-ZDUSSCGKSA-N 1 1 440.978 3.307 40 0 IGABMO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000260760799 557853518 /nfs/dbraw/zinc/85/35/18/557853518.db2.gz ACYXLMNPDYFEEE-RXVVDRJESA-N 1 1 439.622 3.011 40 0 IGABMO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)CCC[C@H]1O)c1ccc(OCc2ccccc2)cc1 ZINC000015671882 560230354 /nfs/dbraw/zinc/23/03/54/560230354.db2.gz NSONIGPLEHNLFO-JWQCQUIFSA-N 1 1 431.536 3.416 40 0 biogenic,in-vitro IGABMO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)CCC[C@H]1O)c1ccc(OCc2ccccc2)cc1 ZINC000015671882 560230356 /nfs/dbraw/zinc/23/03/56/560230356.db2.gz NSONIGPLEHNLFO-JWQCQUIFSA-N 1 1 431.536 3.416 40 0 biogenic,in-vitro IGABMO O=C1CCCN1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585270476 568616856 /nfs/dbraw/zinc/61/68/56/568616856.db2.gz DOALZYNJNHSOHJ-AREMUKBSSA-N 1 1 438.568 3.484 40 0 IGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 ZINC000585285966 568618853 /nfs/dbraw/zinc/61/88/53/568618853.db2.gz FZSIRTSHFZQKRD-IKPGRFEGSA-N 1 1 427.532 3.109 40 0 IGABMO CCCCCC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257213694 568671304 /nfs/dbraw/zinc/67/13/04/568671304.db2.gz CIRTWKTUPBEIPJ-UHFFFAOYSA-N 1 1 429.605 3.419 40 0 IGABMO COCCNc1nc(C2CC[NH+](CC(=O)Nc3cc(C)n(C)n3)CC2)cc2ccccc21 ZINC000257218332 568673397 /nfs/dbraw/zinc/67/33/97/568673397.db2.gz DCTKJGXXKJCNQQ-UHFFFAOYSA-N 1 1 436.560 3.153 40 0 IGABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)COc4c(OC)cccc4OC)C[C@@H]32)cc1 ZINC000257219150 568674098 /nfs/dbraw/zinc/67/40/98/568674098.db2.gz DFUQAOCUXFDVGO-NJDAHSKKSA-N 1 1 440.540 3.038 40 0 IGABMO COc1ccccc1[C@H]1CN(C(=O)c2ccccc2Cn2cc[nH+]c2C)CCN1C(C)=O ZINC000257253224 568689794 /nfs/dbraw/zinc/68/97/94/568689794.db2.gz JYAGXGOCXWEHGS-HSZRJFAPSA-N 1 1 432.524 3.294 40 0 IGABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306127994 568764993 /nfs/dbraw/zinc/76/49/93/568764993.db2.gz GNJSCTVBBOXUFC-UKILVPOCSA-N 1 1 432.499 3.013 40 0 IGABMO Cc1cc(C)cc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129390 568765623 /nfs/dbraw/zinc/76/56/23/568765623.db2.gz IBSSISUPRXXHKY-XNMGPUDCSA-N 1 1 442.563 3.491 40 0 IGABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136248 568769518 /nfs/dbraw/zinc/76/95/18/568769518.db2.gz POCBJZOMCURPJB-AHKZPQOWSA-N 1 1 443.547 3.487 40 0 IGABMO CN1C[C@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000306138190 568770492 /nfs/dbraw/zinc/77/04/92/568770492.db2.gz RSBVXIWWDLDLQV-HXUWFJFHSA-N 1 1 434.005 3.383 40 0 IGABMO COc1cccc(NC(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)c4ccc(C)s4)CC3)O2)c1 ZINC000306140916 568772040 /nfs/dbraw/zinc/77/20/40/568772040.db2.gz VGSYYSLDSMGSJX-IBGZPJMESA-N 1 1 443.569 3.009 40 0 IGABMO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)[nH]n1 ZINC000257198967 568921711 /nfs/dbraw/zinc/92/17/11/568921711.db2.gz NNOIQBMRUQNVGM-SMKKKYSBSA-N 1 1 434.588 3.462 40 0 IGABMO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)n[nH]1 ZINC000257198967 568921712 /nfs/dbraw/zinc/92/17/12/568921712.db2.gz NNOIQBMRUQNVGM-SMKKKYSBSA-N 1 1 434.588 3.462 40 0 IGABMO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)n[nH]1 ZINC000257198967 568921713 /nfs/dbraw/zinc/92/17/13/568921713.db2.gz NNOIQBMRUQNVGM-SMKKKYSBSA-N 1 1 434.588 3.462 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)[nH]c(=O)c2C1 ZINC000248126819 569207175 /nfs/dbraw/zinc/20/71/75/569207175.db2.gz HUGXMROWVOQRKB-UYAOXDASSA-N 1 1 448.567 3.421 40 0 IGABMO C[C@@H](CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000019455886 569226691 /nfs/dbraw/zinc/22/66/91/569226691.db2.gz AXWIDKGJOYRIDG-RBBKRZOGSA-N 1 1 436.600 3.411 40 0 IGABMO Cc1nn2c(nccc2[C@H]2CN(C(=O)CCC3CCCC3)CCO2)c1Cn1cc[nH+]c1C ZINC000019707756 569234592 /nfs/dbraw/zinc/23/45/92/569234592.db2.gz ZMAPGKBRCYRHSH-JOCHJYFZSA-N 1 1 436.560 3.461 40 0 IGABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1 ZINC000009088094 569293658 /nfs/dbraw/zinc/29/36/58/569293658.db2.gz UFBGEQXFROUTKF-XMODTWTHSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1 ZINC000009088094 569293659 /nfs/dbraw/zinc/29/36/59/569293659.db2.gz UFBGEQXFROUTKF-XMODTWTHSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009087952 569293705 /nfs/dbraw/zinc/29/37/05/569293705.db2.gz INMYNIWXRXBYHO-FLFXDLLNSA-N 1 1 435.911 3.388 40 0 IGABMO CCn1c(C[N@H+]2CC[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)nc2ccccc21 ZINC000019761416 569328713 /nfs/dbraw/zinc/32/87/13/569328713.db2.gz YWLHSEHZWKRWPM-GOSISDBHSA-N 1 1 443.551 3.316 40 0 IGABMO O=C(c1cc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019762345 569328903 /nfs/dbraw/zinc/32/89/03/569328903.db2.gz CZQVEPLOAOSUAM-VWLOTQADSA-N 1 1 431.536 3.323 40 0 IGABMO O=C(c1cc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019762345 569328904 /nfs/dbraw/zinc/32/89/04/569328904.db2.gz CZQVEPLOAOSUAM-VWLOTQADSA-N 1 1 431.536 3.323 40 0 IGABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)CCc3ccccc3)CC2)cs1 ZINC000225467146 291356782 /nfs/dbraw/zinc/35/67/82/291356782.db2.gz MICMFZWXALOISZ-HXUWFJFHSA-N 1 1 443.613 3.197 40 0 biogenic,in-vitro IGABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)CCc3ccccc3)CC2)cs1 ZINC000225467146 291356785 /nfs/dbraw/zinc/35/67/85/291356785.db2.gz MICMFZWXALOISZ-HXUWFJFHSA-N 1 1 443.613 3.197 40 0 biogenic,in-vitro IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000020452342 527371797 /nfs/dbraw/zinc/37/17/97/527371797.db2.gz KLMSFECDNCOFAN-GOSISDBHSA-N 1 1 440.569 3.268 40 0 IGABMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000034876240 555926036 /nfs/dbraw/zinc/92/60/36/555926036.db2.gz UFBGEQXFROUTKF-FLFXDLLNSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000034876240 555926041 /nfs/dbraw/zinc/92/60/41/555926041.db2.gz UFBGEQXFROUTKF-FLFXDLLNSA-N 1 1 435.911 3.388 40 0 IGABMO CCN(c1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408700683 556102895 /nfs/dbraw/zinc/10/28/95/556102895.db2.gz KGLXRKZYCNOFHM-UHFFFAOYSA-N 1 1 433.599 3.011 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000038771168 556618977 /nfs/dbraw/zinc/61/89/77/556618977.db2.gz NFOWRTMFQBPSHQ-HNNXBMFYSA-N 1 1 446.960 3.305 40 0 IGABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCN3CCCC3=O)cc2)c(C)c1 ZINC000257245746 556711128 /nfs/dbraw/zinc/71/11/28/556711128.db2.gz IQYBCKVZBUNQSD-QFIPXVFZSA-N 1 1 426.557 3.176 40 0 IGABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000257250064 556711384 /nfs/dbraw/zinc/71/13/84/556711384.db2.gz JKVSWQKQXBLIDL-FQEVSTJZSA-N 1 1 425.529 3.270 40 0 IGABMO Cc1cccc(C[N@@H+]2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000019236297 556720840 /nfs/dbraw/zinc/72/08/40/556720840.db2.gz LPJSQYSHFCVDFN-AREMUKBSSA-N 1 1 430.552 3.354 40 0 IGABMO Cc1cccc(C[N@H+]2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000019236297 556720843 /nfs/dbraw/zinc/72/08/43/556720843.db2.gz LPJSQYSHFCVDFN-AREMUKBSSA-N 1 1 430.552 3.354 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc(OC)c1OC ZINC000019239097 556724456 /nfs/dbraw/zinc/72/44/56/556724456.db2.gz UJXJDPBKEFPMGN-INIZCTEOSA-N 1 1 425.489 3.240 40 0 IGABMO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000019371953 556748810 /nfs/dbraw/zinc/74/88/10/556748810.db2.gz XQRNKNDKIYTWPU-OAQYLSRUSA-N 1 1 432.572 3.312 40 0 IGABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cccc(OC)c2)C3)c(OCC)n1 ZINC000019531646 556792007 /nfs/dbraw/zinc/79/20/07/556792007.db2.gz XGIUWWIKLRAHSR-QRQCMCJISA-N 1 1 427.545 3.402 40 0 IGABMO Cc1n[nH]c(C)c1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019579047 556816397 /nfs/dbraw/zinc/81/63/97/556816397.db2.gz PCXTVZGLKBNEEU-DHIUTWEWSA-N 1 1 434.515 3.413 40 0 IGABMO COCCOc1cc(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)ccc1OC ZINC000019593617 556829725 /nfs/dbraw/zinc/82/97/25/556829725.db2.gz RCTAZUXNNXVCAU-SFHVURJKSA-N 1 1 443.573 3.348 40 0 IGABMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)C1 ZINC000019705801 556863240 /nfs/dbraw/zinc/86/32/40/556863240.db2.gz XVGGMKNPYGWEON-MRXNPFEDSA-N 1 1 427.574 3.228 40 0 IGABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)C1 ZINC000019706533 556864768 /nfs/dbraw/zinc/86/47/68/556864768.db2.gz RFBZBHLIZYCUPQ-FQEVSTJZSA-N 1 1 436.604 3.181 40 0 IGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)C1 ZINC000019706533 556864772 /nfs/dbraw/zinc/86/47/72/556864772.db2.gz RFBZBHLIZYCUPQ-FQEVSTJZSA-N 1 1 436.604 3.181 40 0 IGABMO CNc1nc([C@@H]2CCC[N@@H+]2C)nc2c1CCN(C(=O)c1cc(-c3cccc(OC)c3)on1)C2 ZINC000019707327 556866842 /nfs/dbraw/zinc/86/68/42/556866842.db2.gz FNDROHIKUIWXPO-FQEVSTJZSA-N 1 1 448.527 3.147 40 0 IGABMO CNc1nc([C@@H]2CCC[N@H+]2C)nc2c1CCN(C(=O)c1cc(-c3cccc(OC)c3)on1)C2 ZINC000019707327 556866845 /nfs/dbraw/zinc/86/68/45/556866845.db2.gz FNDROHIKUIWXPO-FQEVSTJZSA-N 1 1 448.527 3.147 40 0 IGABMO CNc1nc([C@H]2CCC[N@@H+]2C)nc2c1CCN(C(=O)CCc1cc3c(cc1OC)CCC3)C2 ZINC000019707530 556867813 /nfs/dbraw/zinc/86/78/13/556867813.db2.gz CVXZGAILYHBFLN-JOCHJYFZSA-N 1 1 449.599 3.300 40 0 IGABMO CNc1nc([C@H]2CCC[N@H+]2C)nc2c1CCN(C(=O)CCc1cc3c(cc1OC)CCC3)C2 ZINC000019707530 556867816 /nfs/dbraw/zinc/86/78/16/556867816.db2.gz CVXZGAILYHBFLN-JOCHJYFZSA-N 1 1 449.599 3.300 40 0 IGABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2n(C)c1=O ZINC000019743489 556888235 /nfs/dbraw/zinc/88/82/35/556888235.db2.gz ITAGBMFDACTEMC-MRXNPFEDSA-N 1 1 446.473 3.073 40 0 IGABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)n1 ZINC000072334713 556907526 /nfs/dbraw/zinc/90/75/26/556907526.db2.gz ONGSVWQNRCVDTI-FQEVSTJZSA-N 1 1 445.523 3.072 40 0 IGABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)n1 ZINC000072334713 556907528 /nfs/dbraw/zinc/90/75/28/556907528.db2.gz ONGSVWQNRCVDTI-FQEVSTJZSA-N 1 1 445.523 3.072 40 0 IGABMO Cc1cc(C)nc(N2CCC[C@H](c3nc(N4CC[NH+](C)CC4)ncc3-c3ccncc3)C2)n1 ZINC000072338393 556910863 /nfs/dbraw/zinc/91/08/63/556910863.db2.gz GWBPKWRSMMXTOQ-NRFANRHFSA-N 1 1 444.587 3.081 40 0 IGABMO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)cn1 ZINC000072341449 556913738 /nfs/dbraw/zinc/91/37/38/556913738.db2.gz JXDQAQMPGGHFGD-UXHICEINSA-N 1 1 436.585 3.382 40 0 IGABMO CN(C)c1ncc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)cn1 ZINC000072341449 556913741 /nfs/dbraw/zinc/91/37/41/556913741.db2.gz JXDQAQMPGGHFGD-UXHICEINSA-N 1 1 436.585 3.382 40 0 IGABMO C[C@H](CN(C)C(=O)C[N@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000072373066 556945455 /nfs/dbraw/zinc/94/54/55/556945455.db2.gz AXWIDKGJOYRIDG-IRLDBZIGSA-N 1 1 436.600 3.411 40 0 IGABMO Nc1ncc(-c2ccc([C@H]3CCC[N@H+](CC(=O)N4CCCc5ccccc54)C3)nc2)cn1 ZINC000072374118 556947075 /nfs/dbraw/zinc/94/70/75/556947075.db2.gz KIKDXTPOAMSHAD-FQEVSTJZSA-N 1 1 428.540 3.280 40 0 IGABMO Nc1ncc(-c2ccc([C@H]3CCC[N@@H+](CC(=O)N4CCCc5ccccc54)C3)nc2)cn1 ZINC000072374118 556947077 /nfs/dbraw/zinc/94/70/77/556947077.db2.gz KIKDXTPOAMSHAD-FQEVSTJZSA-N 1 1 428.540 3.280 40 0 IGABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1Br ZINC000019933819 556950137 /nfs/dbraw/zinc/95/01/37/556950137.db2.gz FKQOURNQRFBROF-UHFFFAOYSA-N 1 1 436.331 3.430 40 0 IGABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(-n5nc(C)cc5C)c4)C[C@H]32)c(OC)n1 ZINC000072392619 556964041 /nfs/dbraw/zinc/96/40/41/556964041.db2.gz IUNYUNSJKDWUNH-UWUFEASWSA-N 1 1 449.555 3.026 40 0 IGABMO O=C1C[C@]2(CN1Cc1cncs1)COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585103569 557036012 /nfs/dbraw/zinc/03/60/12/557036012.db2.gz KGDZWIIVSLCUEM-IBGZPJMESA-N 1 1 425.476 3.413 40 0 IGABMO O=C1C[C@]2(CN1Cc1cncs1)COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585103569 557036017 /nfs/dbraw/zinc/03/60/17/557036017.db2.gz KGDZWIIVSLCUEM-IBGZPJMESA-N 1 1 425.476 3.413 40 0 IGABMO O=C1C[C@]2(CN1Cc1ccccc1)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104807 557037922 /nfs/dbraw/zinc/03/79/22/557037922.db2.gz UKVZVOKHDROUBJ-DEOSSOPVSA-N 1 1 434.565 3.456 40 0 IGABMO COCc1cccc(-c2ccc3c(c2)C2(CN3C(=O)CN3CC[NH+](C)CC3)CCOCC2)c1 ZINC000585105900 557039284 /nfs/dbraw/zinc/03/92/84/557039284.db2.gz XBDMQVTUIJAMSL-UHFFFAOYSA-N 1 1 449.595 3.142 40 0 IGABMO O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106293 557039503 /nfs/dbraw/zinc/03/95/03/557039503.db2.gz ORTXVWAYPSUVPB-MOPGFXCFSA-N 1 1 441.934 3.332 40 0 IGABMO 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CCCCNC(=O)N1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242286 557186306 /nfs/dbraw/zinc/18/63/06/557186306.db2.gz HIYWNNLXRHEOQO-HXUWFJFHSA-N 1 1 426.605 3.181 40 0 IGABMO O=C(NCCc1ccccn1)c1ccc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096267526 557193245 /nfs/dbraw/zinc/19/32/45/557193245.db2.gz KUOZEDOCSCSJRW-FQEVSTJZSA-N 1 1 426.524 3.086 40 0 IGABMO CC(=O)N[C@]12CN(C(=O)c3cc4cc(F)ccc4n3C)[C@H](c3ccccc3)[C@H]1C[N@H+](C)CC2 ZINC000585261217 557194718 /nfs/dbraw/zinc/19/47/18/557194718.db2.gz BBXFJFOPKPMRTI-YMVVMYQSSA-N 1 1 448.542 3.341 40 0 IGABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](CC(=O)NCCOc3ccccc3)C2)c1 ZINC000585273559 557215823 /nfs/dbraw/zinc/21/58/23/557215823.db2.gz PJEDMEXBSSLACK-HSZRJFAPSA-N 1 1 432.948 3.049 40 0 IGABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCCOc3ccccc3)C2)c1 ZINC000585273559 557215825 /nfs/dbraw/zinc/21/58/25/557215825.db2.gz PJEDMEXBSSLACK-HSZRJFAPSA-N 1 1 432.948 3.049 40 0 IGABMO O[C@@]1(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585284958 557224452 /nfs/dbraw/zinc/22/44/52/557224452.db2.gz BDQGSCPVHYQQPR-IEZKXTBUSA-N 1 1 429.532 3.357 40 0 IGABMO CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCC3)C4)C2)CC1 ZINC000100238818 557254274 /nfs/dbraw/zinc/25/42/74/557254274.db2.gz RVARIKQFKGPQMK-LMMKCTJWSA-N 1 1 428.577 3.004 40 0 IGABMO CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929636 557273923 /nfs/dbraw/zinc/27/39/23/557273923.db2.gz TVRJCPHNAAUFQX-NRFANRHFSA-N 1 1 434.544 3.109 40 0 IGABMO Cc1nccn1CCCOc1cccc(C[N@H+]2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)c1 ZINC000585295451 557279368 /nfs/dbraw/zinc/27/93/68/557279368.db2.gz ZPIIICZIVIGFCP-TWJOJJKGSA-N 1 1 435.568 3.290 40 0 IGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1 ZINC000260565693 557285614 /nfs/dbraw/zinc/28/56/14/557285614.db2.gz SJSZHPLCIFPCOT-FQEVSTJZSA-N 1 1 443.613 3.359 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223355844 557461866 /nfs/dbraw/zinc/46/18/66/557461866.db2.gz LSTAYTZOBREUSX-LJQANCHMSA-N 1 1 439.622 3.012 40 0 IGABMO Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000017098291 557480615 /nfs/dbraw/zinc/48/06/15/557480615.db2.gz UGQFHKWGHUWXMX-UHFFFAOYSA-N 1 1 432.977 3.292 40 0 IGABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019220834 557498137 /nfs/dbraw/zinc/49/81/37/557498137.db2.gz PDTZOUQQAWYXDX-NFBKMPQASA-N 1 1 447.587 3.198 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224328922 557592449 /nfs/dbraw/zinc/59/24/49/557592449.db2.gz JAOBQDCMVZLATF-LJQANCHMSA-N 1 1 439.622 3.012 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224946413 557670060 /nfs/dbraw/zinc/67/00/60/557670060.db2.gz DNCRMYORRMWTKF-GOSISDBHSA-N 1 1 427.586 3.143 40 0 IGABMO O=C(CCN1C(=O)c2ccccc2C1=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225875215 557787746 /nfs/dbraw/zinc/78/77/46/557787746.db2.gz DZFMTEDSFKCEHA-UHFFFAOYSA-N 1 1 436.899 3.493 40 0 IGABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+]3CC[C@](O)(CN4CCC(F)(F)CC4)C3)cc2)n1 ZINC000585271238 568617554 /nfs/dbraw/zinc/61/75/54/568617554.db2.gz UYXFKATVGMQGAX-QHCPKHFHSA-N 1 1 448.558 3.247 40 0 IGABMO Cc1cc(C)n(CCOc2ccc(C[N@H+]3CC[C@](O)(CN4CCC(F)(F)CC4)C3)cc2)n1 ZINC000585271238 568617556 /nfs/dbraw/zinc/61/75/56/568617556.db2.gz UYXFKATVGMQGAX-QHCPKHFHSA-N 1 1 448.558 3.247 40 0 IGABMO Cc1cccc(OC[C@@]2(O)C[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585288126 568619352 /nfs/dbraw/zinc/61/93/52/568619352.db2.gz XCRCDEBIQAMMJM-MNPUUQGPSA-N 1 1 425.569 3.260 40 0 IGABMO Cc1nc2cc(NC(=O)C[N@@H+]3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)ccc2[nH]1 ZINC000257220608 568674547 /nfs/dbraw/zinc/67/45/47/568674547.db2.gz DLLGHKMSUKWPAO-GOTSBHOMSA-N 1 1 431.540 3.465 40 0 IGABMO Cc1nc2cc(NC(=O)C[N@H+]3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)ccc2[nH]1 ZINC000257220608 568674551 /nfs/dbraw/zinc/67/45/51/568674551.db2.gz DLLGHKMSUKWPAO-GOTSBHOMSA-N 1 1 431.540 3.465 40 0 IGABMO c1cn2nc(C[C@@H]3COCC[N@H+](Cc4ccccc4OCc4cccnc4)C3)ccc2n1 ZINC000257287555 568705636 /nfs/dbraw/zinc/70/56/36/568705636.db2.gz PQLOQPMBBUMVOP-NRFANRHFSA-N 1 1 429.524 3.394 40 0 IGABMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)C1 ZINC000257312182 568716532 /nfs/dbraw/zinc/71/65/32/568716532.db2.gz UMTWMCMJOJHRDW-LJQANCHMSA-N 1 1 449.599 3.046 40 0 IGABMO C[C@@H]1CCC[N@H+](CC(=O)N2CCC(c3[nH]ncc3C(=O)N3CCc4ccccc4C3)CC2)C1 ZINC000257312182 568716534 /nfs/dbraw/zinc/71/65/34/568716534.db2.gz UMTWMCMJOJHRDW-LJQANCHMSA-N 1 1 449.599 3.046 40 0 IGABMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3[nH]ncc3C(=O)N3CCc4ccccc4C3)CC2)C1 ZINC000257312182 568716536 /nfs/dbraw/zinc/71/65/36/568716536.db2.gz UMTWMCMJOJHRDW-LJQANCHMSA-N 1 1 449.599 3.046 40 0 IGABMO Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000257321971 568720793 /nfs/dbraw/zinc/72/07/93/568720793.db2.gz WECLGSRKUATOHW-OAQYLSRUSA-N 1 1 439.535 3.002 40 0 IGABMO Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000257321971 568720794 /nfs/dbraw/zinc/72/07/94/568720794.db2.gz WECLGSRKUATOHW-OAQYLSRUSA-N 1 1 439.535 3.002 40 0 IGABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306123278 568762559 /nfs/dbraw/zinc/76/25/59/568762559.db2.gz AIZCZRLDBGEELL-UKILVPOCSA-N 1 1 432.499 3.013 40 0 IGABMO O=S1(=O)c2ccccc2O[C@]2(CC[N@H+](Cc3ccsc3)C2)CN1Cc1ccccn1 ZINC000306124113 568763017 /nfs/dbraw/zinc/76/30/17/568763017.db2.gz BGHQFBQINAMHRO-QFIPXVFZSA-N 1 1 441.578 3.371 40 0 IGABMO O=S1(=O)c2ccccc2O[C@]2(CC[N@@H+](Cc3ccsc3)C2)CN1Cc1ccccn1 ZINC000306124113 568763018 /nfs/dbraw/zinc/76/30/18/568763018.db2.gz BGHQFBQINAMHRO-QFIPXVFZSA-N 1 1 441.578 3.371 40 0 IGABMO Cc1cc(C)cc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129387 568765742 /nfs/dbraw/zinc/76/57/42/568765742.db2.gz 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biogenic,in-vitro IGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)C1 ZINC000022524851 524234205 /nfs/dbraw/zinc/23/42/05/524234205.db2.gz RDRNQQHPLYPSPL-HXUWFJFHSA-N 1 1 441.597 3.065 40 0 IGABMO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccc2c(c1)OCO2 ZINC000035311122 525051578 /nfs/dbraw/zinc/05/15/78/525051578.db2.gz XKEDMHHPWJRNHC-SEJPIABJSA-N 1 1 449.551 3.155 40 0 IGABMO O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000041689924 526284189 /nfs/dbraw/zinc/28/41/89/526284189.db2.gz CCRQVWQNKNZSMT-AVZNFENQSA-N 1 1 428.617 3.167 40 0 IGABMO COc1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)c2ccc3c(c2)OCCO3)cc1 ZINC000006198796 556080679 /nfs/dbraw/zinc/08/06/79/556080679.db2.gz SMTNUVNKVSGVJK-UHFFFAOYSA-N 1 1 432.542 3.148 40 0 IGABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716408 556287563 /nfs/dbraw/zinc/28/75/63/556287563.db2.gz JIWSTCWESMMCCQ-QHCPKHFHSA-N 1 1 443.613 3.192 40 0 IGABMO 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40 0 IGABMO O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038831115 556621834 /nfs/dbraw/zinc/62/18/34/556621834.db2.gz HGQQPJFDGUWNDN-QHCPKHFHSA-N 1 1 425.548 3.186 40 0 IGABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@@]1(C)O ZINC000514289651 556623869 /nfs/dbraw/zinc/62/38/69/556623869.db2.gz MXIVWOBDIYOATA-CCDWMCETSA-N 1 1 435.524 3.171 40 0 biogenic,in-vitro IGABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2cc(-c3ccccc3)no2)CC[C@@]1(C)O ZINC000514289651 556623871 /nfs/dbraw/zinc/62/38/71/556623871.db2.gz MXIVWOBDIYOATA-CCDWMCETSA-N 1 1 435.524 3.171 40 0 biogenic,in-vitro IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000044838668 556668181 /nfs/dbraw/zinc/66/81/81/556668181.db2.gz AZEMUHINBWOPGI-JOCHJYFZSA-N 1 1 435.634 3.387 40 0 IGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000019293846 556733282 /nfs/dbraw/zinc/73/32/82/556733282.db2.gz MEQNRTKQTRVHOE-QFIPXVFZSA-N 1 1 436.535 3.409 40 0 IGABMO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)C1 ZINC000019343159 556741046 /nfs/dbraw/zinc/74/10/46/556741046.db2.gz VVCCBLJDDYFMTF-MRXNPFEDSA-N 1 1 426.586 3.081 40 0 IGABMO O=C([C@H]1CC=CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343602 556741308 /nfs/dbraw/zinc/74/13/08/556741308.db2.gz DQOYQWZNYMWPOF-ROUUACIJSA-N 1 1 438.597 3.452 40 0 IGABMO COc1cccc2c1cc(C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[nH]1)CC[N@H+](C(C)C)C3)n2C ZINC000019448397 556757909 /nfs/dbraw/zinc/75/79/09/556757909.db2.gz MMSVXCUHRCQCTN-HXUWFJFHSA-N 1 1 449.555 3.426 40 0 IGABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 ZINC000019501592 556772942 /nfs/dbraw/zinc/77/29/42/556772942.db2.gz BLDYGZBUYRQECD-MRXNPFEDSA-N 1 1 430.499 3.113 40 0 IGABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 ZINC000019501592 556772943 /nfs/dbraw/zinc/77/29/43/556772943.db2.gz BLDYGZBUYRQECD-MRXNPFEDSA-N 1 1 430.499 3.113 40 0 IGABMO CCn1c(C)c(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)COCCC(=O)N3)c2cc(OC)ccc21 ZINC000019523872 556781097 /nfs/dbraw/zinc/78/10/97/556781097.db2.gz BRJIIUWEUCXGKJ-OZXSUGGESA-N 1 1 448.567 3.248 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552263 556795933 /nfs/dbraw/zinc/79/59/33/556795933.db2.gz JDYYAKIGKVZYAJ-RPVQJOFSSA-N 1 1 425.455 3.495 40 0 IGABMO Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019571534 556811519 /nfs/dbraw/zinc/81/15/19/556811519.db2.gz QJXPFKSXBCESKQ-LJQANCHMSA-N 1 1 448.564 3.312 40 0 IGABMO CNC(=O)c1ccc(-c2ccc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccc(OC)cc3)nc2)cn1 ZINC000019691806 556847473 /nfs/dbraw/zinc/84/74/73/556847473.db2.gz DYYSJRLBGHZLJO-QHCPKHFHSA-N 1 1 445.523 3.287 40 0 IGABMO CNC(=O)c1ccc(-c2ccc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccc(OC)cc3)nc2)cn1 ZINC000019691806 556847475 /nfs/dbraw/zinc/84/74/75/556847475.db2.gz DYYSJRLBGHZLJO-QHCPKHFHSA-N 1 1 445.523 3.287 40 0 IGABMO CN(Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000019698769 556857764 /nfs/dbraw/zinc/85/77/64/556857764.db2.gz PLXPTMZXVFTIAF-YADHBBJMSA-N 1 1 448.592 3.142 40 0 IGABMO CNc1nc([C@H]2CCC[N@@H+]2C)nc2c1CCN(C(=O)C1(c3cccc(C)c3)CCOCC1)C2 ZINC000019707424 556867236 /nfs/dbraw/zinc/86/72/36/556867236.db2.gz RTNAORLFAJNVKK-JOCHJYFZSA-N 1 1 449.599 3.227 40 0 IGABMO CNc1nc([C@H]2CCC[N@H+]2C)nc2c1CCN(C(=O)C1(c3cccc(C)c3)CCOCC1)C2 ZINC000019707424 556867238 /nfs/dbraw/zinc/86/72/38/556867238.db2.gz RTNAORLFAJNVKK-JOCHJYFZSA-N 1 1 449.599 3.227 40 0 IGABMO CNc1nc([C@H]2CCC[N@@H+]2C)nc2c1CCN(C(=O)c1cc(-c3ccc(F)cc3)no1)C2 ZINC000019707500 556867366 /nfs/dbraw/zinc/86/73/66/556867366.db2.gz BTPXNZBSIGLERK-LJQANCHMSA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@H]2CCC[N@H+]2C)nc2c1CCN(C(=O)c1cc(-c3ccc(F)cc3)no1)C2 ZINC000019707500 556867371 /nfs/dbraw/zinc/86/73/71/556867371.db2.gz BTPXNZBSIGLERK-LJQANCHMSA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1ccccc1N1CCCC1)C2 ZINC000019708510 556869254 /nfs/dbraw/zinc/86/92/54/556869254.db2.gz PPHZAHCMLQTHDB-OAQYLSRUSA-N 1 1 448.615 3.403 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1ccccc1N1CCCC1)C2 ZINC000019708510 556869259 /nfs/dbraw/zinc/86/92/59/556869259.db2.gz PPHZAHCMLQTHDB-OAQYLSRUSA-N 1 1 448.615 3.403 40 0 IGABMO CNc1nc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710950 556875238 /nfs/dbraw/zinc/87/52/38/556875238.db2.gz TUXYKAQPFAYOGZ-UHFFFAOYSA-N 1 1 432.572 3.326 40 0 IGABMO CNc1nc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710950 556875240 /nfs/dbraw/zinc/87/52/40/556875240.db2.gz TUXYKAQPFAYOGZ-UHFFFAOYSA-N 1 1 432.572 3.326 40 0 IGABMO CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)C[N@H+]4CCCC[C@H]4C)CC3)nc21 ZINC000019739507 556878151 /nfs/dbraw/zinc/87/81/51/556878151.db2.gz YQFMCSGISNYOGA-QGZVFWFLSA-N 1 1 427.593 3.055 40 0 IGABMO 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/nfs/dbraw/zinc/90/77/87/555907787.db2.gz KMVDGLCFSARJAA-BZDHPDOMSA-N 1 1 442.302 3.425 40 0 IGABMO C[N@@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000003871507 555949939 /nfs/dbraw/zinc/94/99/39/555949939.db2.gz BQBSHJUQVIWEFM-INIZCTEOSA-N 1 1 447.384 3.279 40 0 in-vivo IGABMO O=C([C@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408706951 556114158 /nfs/dbraw/zinc/11/41/58/556114158.db2.gz FOLWBYQLKMELDN-SFHVURJKSA-N 1 1 442.357 3.146 40 0 IGABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1C ZINC000019214312 556711009 /nfs/dbraw/zinc/71/10/09/556711009.db2.gz WRMFSOHPFLHOTQ-NRFANRHFSA-N 1 1 444.601 3.069 40 0 IGABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000257310495 556718520 /nfs/dbraw/zinc/71/85/20/556718520.db2.gz UFHDHMQUROSJRQ-VWLOTQADSA-N 1 1 430.508 3.332 40 0 IGABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000257310495 556718522 /nfs/dbraw/zinc/71/85/22/556718522.db2.gz UFHDHMQUROSJRQ-VWLOTQADSA-N 1 1 430.508 3.332 40 0 IGABMO O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019400154 556752914 /nfs/dbraw/zinc/75/29/14/556752914.db2.gz PCZAZXFNIVILEE-QFIPXVFZSA-N 1 1 435.572 3.471 40 0 IGABMO O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019406435 556755149 /nfs/dbraw/zinc/75/51/49/556755149.db2.gz BLKHOGLHSQQNKI-FQEVSTJZSA-N 1 1 426.586 3.428 40 0 IGABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450124 556760969 /nfs/dbraw/zinc/76/09/69/556760969.db2.gz SXYYTUHFEIJLNH-OALUTQOASA-N 1 1 443.542 3.485 40 0 IGABMO CCc1[nH+]ccn1CC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(N)=O)C1 ZINC000019523487 556780951 /nfs/dbraw/zinc/78/09/51/556780951.db2.gz SWLXTOQZVNAEPQ-RUZDIDTESA-N 1 1 434.515 3.198 40 0 IGABMO CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)n1 ZINC000019525154 556782717 /nfs/dbraw/zinc/78/27/17/556782717.db2.gz YOZRVHXEFDOJAR-OAQYLSRUSA-N 1 1 438.576 3.457 40 0 IGABMO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019530081 556791267 /nfs/dbraw/zinc/79/12/67/556791267.db2.gz IGHUZOYNVWEOHN-NZQKXSOJSA-N 1 1 428.508 3.288 40 0 IGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(I)cc1 ZINC000059332389 556798047 /nfs/dbraw/zinc/79/80/47/556798047.db2.gz VCXYADZAXUANTP-UHFFFAOYSA-N 1 1 436.293 3.053 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1OC ZINC000019567721 556807846 /nfs/dbraw/zinc/80/78/46/556807846.db2.gz WNMNFGULAHLWAD-AREMUKBSSA-N 1 1 446.551 3.471 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1OC ZINC000019567754 556807943 /nfs/dbraw/zinc/80/79/43/556807943.db2.gz NRNYATRZMSDTNP-JLJPHGGASA-N 1 1 425.455 3.495 40 0 IGABMO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 ZINC000019585529 556822581 /nfs/dbraw/zinc/82/25/81/556822581.db2.gz CSTAMXUCYFSWOY-MJGOQNOKSA-N 1 1 433.478 3.298 40 0 IGABMO CN(C)c1ncc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 ZINC000019585529 556822582 /nfs/dbraw/zinc/82/25/82/556822582.db2.gz CSTAMXUCYFSWOY-MJGOQNOKSA-N 1 1 433.478 3.298 40 0 IGABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cccc(OC)c2)CCO1 ZINC000019591912 556827893 /nfs/dbraw/zinc/82/78/93/556827893.db2.gz YLDWOBJQMZWVPP-AREMUKBSSA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cccc(OC)c2)CCO1 ZINC000019591912 556827896 /nfs/dbraw/zinc/82/78/96/556827896.db2.gz YLDWOBJQMZWVPP-AREMUKBSSA-N 1 1 431.536 3.317 40 0 IGABMO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)CC[NH+]2CCOCC2)n1 ZINC000019690148 556845459 /nfs/dbraw/zinc/84/54/59/556845459.db2.gz SICLQEYKYPQTFJ-FQEVSTJZSA-N 1 1 443.979 3.249 40 0 IGABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1cn(C)c3cc(OC)ccc13)C2 ZINC000019707446 556867121 /nfs/dbraw/zinc/86/71/21/556867121.db2.gz VTKRGDHQKIEEQF-JOCHJYFZSA-N 1 1 448.571 3.260 40 0 IGABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1cn(C)c3cc(OC)ccc13)C2 ZINC000019707446 556867123 /nfs/dbraw/zinc/86/71/23/556867123.db2.gz VTKRGDHQKIEEQF-JOCHJYFZSA-N 1 1 448.571 3.260 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)nc2c1CC[N@H+](C)C2 ZINC000019707487 556867379 /nfs/dbraw/zinc/86/73/79/556867379.db2.gz UFQDIWKCBFEPQU-IBGZPJMESA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)nc2c1CC[N@@H+](C)C2 ZINC000019707487 556867382 /nfs/dbraw/zinc/86/73/82/556867382.db2.gz UFQDIWKCBFEPQU-IBGZPJMESA-N 1 1 436.491 3.278 40 0 IGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(NCCCc3ccc(F)cc3)c2C1 ZINC000019711303 556875526 /nfs/dbraw/zinc/87/55/26/556875526.db2.gz XUHXVUROCHWORY-IBGZPJMESA-N 1 1 425.552 3.374 40 0 IGABMO COc1cccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@H+](C4CCOCC4)C2)nc3C)c1 ZINC000019743907 556889081 /nfs/dbraw/zinc/88/90/81/556889081.db2.gz MALUSSHMOAOFFX-IBGZPJMESA-N 1 1 436.556 3.241 40 0 IGABMO COc1cccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@H+](C4CCOCC4)C2)nc3C)c1 ZINC000019743905 556889097 /nfs/dbraw/zinc/88/90/97/556889097.db2.gz MALUSSHMOAOFFX-LJQANCHMSA-N 1 1 436.556 3.241 40 0 IGABMO Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019752777 556896542 /nfs/dbraw/zinc/89/65/42/556896542.db2.gz PCGNUATWKMXGKL-OAQYLSRUSA-N 1 1 432.572 3.479 40 0 IGABMO CCc1ncc(C[N@@H+]2CC[C@H](c3ncc(C(=O)NCc4cccc(OC)c4)c(C)n3)C2)cn1 ZINC000019757923 556901929 /nfs/dbraw/zinc/90/19/29/556901929.db2.gz FUVRTWKNJKLAMS-FQEVSTJZSA-N 1 1 446.555 3.066 40 0 IGABMO CCc1ncc(C[N@H+]2CC[C@H](c3ncc(C(=O)NCc4cccc(OC)c4)c(C)n3)C2)cn1 ZINC000019757923 556901932 /nfs/dbraw/zinc/90/19/32/556901932.db2.gz FUVRTWKNJKLAMS-FQEVSTJZSA-N 1 1 446.555 3.066 40 0 IGABMO CC(=O)N1CCC[C@@H]1c1nc(C[N@H+](C)Cc2ccccc2N2CCCC2)cc(N(C)C)n1 ZINC000019760333 556904074 /nfs/dbraw/zinc/90/40/74/556904074.db2.gz HLXXSEUNEFYDDJ-HSZRJFAPSA-N 1 1 436.604 3.458 40 0 IGABMO CC(=O)N1CCC[C@@H]1c1nc(C[N@@H+](C)Cc2ccccc2N2CCCC2)cc(N(C)C)n1 ZINC000019760333 556904078 /nfs/dbraw/zinc/90/40/78/556904078.db2.gz HLXXSEUNEFYDDJ-HSZRJFAPSA-N 1 1 436.604 3.458 40 0 IGABMO COc1c(C[N@@H+]2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)c(C)nn1C ZINC000019765398 556909970 /nfs/dbraw/zinc/90/99/70/556909970.db2.gz VRSBIOFBTFCWRF-FQEVSTJZSA-N 1 1 448.571 3.145 40 0 IGABMO COc1c(C[N@H+]2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)c(C)nn1C ZINC000019765398 556909971 /nfs/dbraw/zinc/90/99/71/556909971.db2.gz VRSBIOFBTFCWRF-FQEVSTJZSA-N 1 1 448.571 3.145 40 0 IGABMO O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020063044 556976974 /nfs/dbraw/zinc/97/69/74/556976974.db2.gz FDYSRLCKFLEYHN-UHFFFAOYSA-N 1 1 447.560 3.207 40 0 IGABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106289 557039629 /nfs/dbraw/zinc/03/96/29/557039629.db2.gz OLHNUIUEUKGITQ-UHOSZYNNSA-N 1 1 439.556 3.283 40 0 IGABMO CC(C)n1c2cc(C(=O)NCCC[NH+]3CCOCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096037399 557164441 /nfs/dbraw/zinc/16/44/41/557164441.db2.gz CNNARABSXTWLKV-UHFFFAOYSA-N 1 1 446.555 3.408 40 0 IGABMO CCCc1ccc(C(=O)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC2)cc1 ZINC000096144176 557171775 /nfs/dbraw/zinc/17/17/75/557171775.db2.gz VQKYWHJTUFOPNM-MHZLTWQESA-N 1 1 446.595 3.279 40 0 IGABMO CCc1cccc(NC(=O)N2CCC3(C[N@H+](CCOC)C[C@]34CCN(CC)C4=O)CC2)c1 ZINC000096144374 557172492 /nfs/dbraw/zinc/17/24/92/557172492.db2.gz KFHDKRWJWQLOHP-VWLOTQADSA-N 1 1 442.604 3.064 40 0 IGABMO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC000096145764 557175277 /nfs/dbraw/zinc/17/52/77/557175277.db2.gz JZAFRRFODPMJLI-PMACEKPBSA-N 1 1 433.574 3.364 40 0 IGABMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC000096145764 557175279 /nfs/dbraw/zinc/17/52/79/557175279.db2.gz JZAFRRFODPMJLI-PMACEKPBSA-N 1 1 433.574 3.364 40 0 IGABMO CCc1ccccc1NC(=O)N1CCC2(C[N@H+](CCOC)C[C@]23CCN(CC)C3=O)CC1 ZINC000096262809 557190374 /nfs/dbraw/zinc/19/03/74/557190374.db2.gz BWHMDEBNSIUXOT-VWLOTQADSA-N 1 1 442.604 3.064 40 0 IGABMO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000057774125 557264071 /nfs/dbraw/zinc/26/40/71/557264071.db2.gz YDBCOGUFWMEXNP-WZONZLPQSA-N 1 1 427.545 3.205 40 0 IGABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000057774128 557264108 /nfs/dbraw/zinc/26/41/08/557264108.db2.gz YDBCOGUFWMEXNP-JPYJTQIMSA-N 1 1 427.545 3.205 40 0 IGABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220538864 557299591 /nfs/dbraw/zinc/29/95/91/557299591.db2.gz SLZDIDCJYZPDNW-QFIPXVFZSA-N 1 1 443.613 3.192 40 0 IGABMO Cc1cc2cc(C[N@@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498941 557328254 /nfs/dbraw/zinc/32/82/54/557328254.db2.gz CCKQLIQVBJUSSS-NRFANRHFSA-N 1 1 440.592 3.468 40 0 IGABMO 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449.595 3.323 40 0 IGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccnc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136476 568769401 /nfs/dbraw/zinc/76/94/01/568769401.db2.gz PUMPFGZQHNVIHH-RCZVLFRGSA-N 1 1 430.556 3.272 40 0 IGABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136251 568769478 /nfs/dbraw/zinc/76/94/78/568769478.db2.gz POCBJZOMCURPJB-XNMGPUDCSA-N 1 1 443.547 3.487 40 0 IGABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4ccc(Cl)cc4)C[C@H]2C3)cc1 ZINC000306138393 568770521 /nfs/dbraw/zinc/77/05/21/568770521.db2.gz RWKGAAYJFGYWED-SJORKVTESA-N 1 1 437.931 3.497 40 0 IGABMO Cc1cccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139778 568771188 /nfs/dbraw/zinc/77/11/88/568771188.db2.gz UAIIENFLMILDFB-AOYPEHQESA-N 1 1 428.536 3.182 40 0 IGABMO COc1cccc(NC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)c4ccc(C)s4)CC3)O2)c1 ZINC000306140917 568771935 /nfs/dbraw/zinc/77/19/35/568771935.db2.gz VGSYYSLDSMGSJX-LJQANCHMSA-N 1 1 443.569 3.009 40 0 IGABMO 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556792566 /nfs/dbraw/zinc/79/25/66/556792566.db2.gz DFCJLOMYMQKFTQ-LJQANCHMSA-N 1 1 443.548 3.022 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(OC)c1OC ZINC000019552762 556796437 /nfs/dbraw/zinc/79/64/37/556796437.db2.gz WVEGMWQZIWMNQN-KRWDZBQOSA-N 1 1 442.560 3.166 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1OC ZINC000019560926 556802347 /nfs/dbraw/zinc/80/23/47/556802347.db2.gz JVVAAWXQMRFKSL-SANMLTNESA-N 1 1 446.551 3.471 40 0 IGABMO COc1cccc(CC(=O)NC2CC[NH+](Cc3cc(-c4scnc4C)nn3C)CC2)c1 ZINC000019562475 556803761 /nfs/dbraw/zinc/80/37/61/556803761.db2.gz BXDBOQKKDUPLAO-UHFFFAOYSA-N 1 1 439.585 3.184 40 0 IGABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2ccc(OC)cc2)CCO1 ZINC000019591900 556827926 /nfs/dbraw/zinc/82/79/26/556827926.db2.gz TUSHWPRIBMHGTI-AREMUKBSSA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2ccc(OC)cc2)CCO1 ZINC000019591900 556827929 /nfs/dbraw/zinc/82/79/29/556827929.db2.gz TUSHWPRIBMHGTI-AREMUKBSSA-N 1 1 431.536 3.317 40 0 IGABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@@H+](C)CCCOc3cc(C)ccc3C)cc2)C1 ZINC000019698756 556857825 /nfs/dbraw/zinc/85/78/25/556857825.db2.gz PHIXKXJYTREYLI-RPWUZVMVSA-N 1 1 437.584 3.252 40 0 IGABMO Cc1nn(C)c(C)c1CCNC(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706081 556863811 /nfs/dbraw/zinc/86/38/11/556863811.db2.gz ZBZPGWKUYPSKAC-NRFANRHFSA-N 1 1 432.572 3.179 40 0 IGABMO Cc1nn(C)c(C)c1CCNC(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706080 556863936 /nfs/dbraw/zinc/86/39/36/556863936.db2.gz ZBZPGWKUYPSKAC-OAQYLSRUSA-N 1 1 432.572 3.179 40 0 IGABMO CNc1nc([C@@H]2CCC[N@@H+]2C)nc2c1CCN(C(=O)C1(c3cccc(C)c3)CCOCC1)C2 ZINC000019707422 556867101 /nfs/dbraw/zinc/86/71/01/556867101.db2.gz RTNAORLFAJNVKK-QFIPXVFZSA-N 1 1 449.599 3.227 40 0 IGABMO CNc1nc([C@@H]2CCC[N@H+]2C)nc2c1CCN(C(=O)C1(c3cccc(C)c3)CCOCC1)C2 ZINC000019707422 556867104 /nfs/dbraw/zinc/86/71/04/556867104.db2.gz RTNAORLFAJNVKK-QFIPXVFZSA-N 1 1 449.599 3.227 40 0 IGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(NCc3ccccc3N3CCCC3)c2C1 ZINC000019711320 556875516 /nfs/dbraw/zinc/87/55/16/556875516.db2.gz OVSDXFLIZTVOCQ-NRFANRHFSA-N 1 1 448.615 3.403 40 0 IGABMO C[NH+]1CCC(Nc2[nH]nc3nc([C@@H]4CCCN(C(=O)COc5ccccc5)C4)ccc32)CC1 ZINC000019742920 556887125 /nfs/dbraw/zinc/88/71/25/556887125.db2.gz YKVRQELGADTAIH-GOSISDBHSA-N 1 1 448.571 3.249 40 0 IGABMO Cc1cc(C)nc(N2CC[C@@H](c3cc(C(=O)N4CC[NH+](C)CC4)c4ccccc4n3)C2)n1 ZINC000019761014 556904258 /nfs/dbraw/zinc/90/42/58/556904258.db2.gz FZIKYEYVTFMVFM-LJQANCHMSA-N 1 1 430.556 3.023 40 0 IGABMO CCn1nc(C)c(C[N@H+]2CC[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)c1C ZINC000019761736 556905255 /nfs/dbraw/zinc/90/52/55/556905255.db2.gz JJKPEQOYKFDDSC-LJQANCHMSA-N 1 1 435.572 3.434 40 0 IGABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)nc3ccccc32)CC1 ZINC000019761856 556905601 /nfs/dbraw/zinc/90/56/01/556905601.db2.gz KXSIWZCEQDWCQG-HXUWFJFHSA-N 1 1 428.536 3.252 40 0 IGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)C[N@@H+](C[C@@H](C)Cc2ccc3c(c2)OCO3)CC4)no1 ZINC000072337115 556909877 /nfs/dbraw/zinc/90/98/77/556909877.db2.gz OVPHTSBKDOHQCO-AWEZNQCLSA-N 1 1 447.495 3.364 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2[C@H](C)CCC[C@@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340243 556912301 /nfs/dbraw/zinc/91/23/01/556912301.db2.gz JDOCYYZOHHZWOL-GXRLWRAUSA-N 1 1 426.557 3.331 40 0 IGABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000072389478 556959598 /nfs/dbraw/zinc/95/95/98/556959598.db2.gz ASPTVAWBDAJXLR-CQSZACIVSA-N 1 1 435.454 3.259 40 0 IGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)C1 ZINC000020106073 556982661 /nfs/dbraw/zinc/98/26/61/556982661.db2.gz ZQXNBZUGGGMBEY-GOSISDBHSA-N 1 1 441.597 3.372 40 0 IGABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)C1 ZINC000020106075 556982721 /nfs/dbraw/zinc/98/27/21/556982721.db2.gz ZQXNBZUGGGMBEY-SFHVURJKSA-N 1 1 441.597 3.372 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020108114 556984114 /nfs/dbraw/zinc/98/41/14/556984114.db2.gz PKQURRPRGZWNDR-SFHVURJKSA-N 1 1 440.569 3.268 40 0 IGABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000257326273 557005273 /nfs/dbraw/zinc/00/52/73/557005273.db2.gz WWOOCADTIXBFCG-IYARVYRRSA-N 1 1 443.613 3.373 40 0 IGABMO CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000409265533 557039152 /nfs/dbraw/zinc/03/91/52/557039152.db2.gz ISQGGZDXXZOKIA-UHFFFAOYSA-N 1 1 443.613 3.040 40 0 IGABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585105986 557039215 /nfs/dbraw/zinc/03/92/15/557039215.db2.gz AJNSFKALZXYVIQ-LZQZEXGQSA-N 1 1 433.980 3.047 40 0 IGABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106221 557039550 /nfs/dbraw/zinc/03/95/50/557039550.db2.gz XOTRNKIJKPNXSZ-QRQLOZEOSA-N 1 1 439.556 3.140 40 0 IGABMO Cc1noc(C)c1C(=O)NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@@H+]12 ZINC000585110211 557043508 /nfs/dbraw/zinc/04/35/08/557043508.db2.gz XPRDSBVEBBUICZ-NHCUHLMSSA-N 1 1 445.523 3.110 40 0 IGABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)c2cccs2)CC3)C1=O ZINC000096036479 557163454 /nfs/dbraw/zinc/16/34/54/557163454.db2.gz UTWLVNDBZUGNGU-XMMPIXPASA-N 1 1 438.597 3.120 40 0 IGABMO Cc1nc(-c2nc(C(=O)N3CCC[N@H+](C)CC3)c3ccccn32)cn1Cc1ccccc1 ZINC000096155181 557179342 /nfs/dbraw/zinc/17/93/42/557179342.db2.gz DDJBFZJDHVFISZ-UHFFFAOYSA-N 1 1 428.540 3.332 40 0 IGABMO O=C(NCCc1ccncc1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155954 557180374 /nfs/dbraw/zinc/18/03/74/557180374.db2.gz WCWHKMQZHFFAGG-UHFFFAOYSA-N 1 1 440.551 3.024 40 0 IGABMO COCCN1[C@H]2CC[N@@H+](Cc3cccc(C)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263916 557191587 /nfs/dbraw/zinc/19/15/87/557191587.db2.gz SYJWKCCHLPSAIB-SFTDATJTSA-N 1 1 430.570 3.058 40 0 IGABMO Cc1cccc(C2(C(=O)N3CC[C@](O)(C[N@@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)c1 ZINC000585261870 557197390 /nfs/dbraw/zinc/19/73/90/557197390.db2.gz CTRKTSKJTRODFG-VWLOTQADSA-N 1 1 440.559 3.278 40 0 IGABMO Cc1ccc(Cl)c(OCC2(O)CC[NH+](CC(=O)NCCOc3ccccc3)CC2)c1 ZINC000585272789 557217457 /nfs/dbraw/zinc/21/74/57/557217457.db2.gz JOBUVENZBWGANG-UHFFFAOYSA-N 1 1 432.948 3.049 40 0 IGABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4nsnc4c3)cc2Cl)CC1 ZINC000057315576 557245492 /nfs/dbraw/zinc/24/54/92/557245492.db2.gz DZKBTTICHLJQSX-UHFFFAOYSA-N 1 1 446.989 3.223 40 0 IGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)C1 ZINC000260561514 557264320 /nfs/dbraw/zinc/26/43/20/557264320.db2.gz IRNVURGTCHKHQH-IBGZPJMESA-N 1 1 429.586 3.364 40 0 IGABMO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064367 557279166 /nfs/dbraw/zinc/27/91/66/557279166.db2.gz DSLAKFKNEOXFOC-OAQYLSRUSA-N 1 1 440.548 3.066 40 0 IGABMO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064367 557279172 /nfs/dbraw/zinc/27/91/72/557279172.db2.gz DSLAKFKNEOXFOC-OAQYLSRUSA-N 1 1 440.548 3.066 40 0 IGABMO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000169677602 557460539 /nfs/dbraw/zinc/46/05/39/557460539.db2.gz FXWWUJWKYUULRA-CQIJRDABSA-N 1 1 429.586 3.229 40 0 IGABMO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224564600 557624219 /nfs/dbraw/zinc/62/42/19/557624219.db2.gz NTIKUGIUYFHSIR-UHFFFAOYSA-N 1 1 429.369 3.445 40 0 IGABMO COc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(C)C ZINC000224754786 557647980 /nfs/dbraw/zinc/64/79/80/557647980.db2.gz USWDLXLYFUKBAC-UHFFFAOYSA-N 1 1 432.586 3.438 40 0 IGABMO CCCn1c2ccc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000225734191 557770473 /nfs/dbraw/zinc/77/04/73/557770473.db2.gz FSOWOIFTQWIGQW-UHFFFAOYSA-N 1 1 445.610 3.200 40 0 IGABMO CS(=O)(=O)N1CCc2cc(C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)ccc21 ZINC000225843281 557784266 /nfs/dbraw/zinc/78/42/66/557784266.db2.gz QVKWIGFUPCNEJO-UHFFFAOYSA-N 1 1 444.944 3.052 40 0 IGABMO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260760796 557853594 /nfs/dbraw/zinc/85/35/94/557853594.db2.gz ACYXLMNPDYFEEE-NQIIRXRSSA-N 1 1 439.622 3.011 40 0 IGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000585287666 568619405 /nfs/dbraw/zinc/61/94/05/568619405.db2.gz QNFIAJMWWSDWSU-YZGPJIJJSA-N 1 1 445.522 3.248 40 0 IGABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[N@H+]2C)C1 ZINC000257223459 568675711 /nfs/dbraw/zinc/67/57/11/568675711.db2.gz DXLHWIRWAQYGSP-RTWAWAEBSA-N 1 1 437.588 3.262 40 0 IGABMO CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000257223459 568675715 /nfs/dbraw/zinc/67/57/15/568675715.db2.gz DXLHWIRWAQYGSP-RTWAWAEBSA-N 1 1 437.588 3.262 40 0 IGABMO CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[N@H+]2C)C1 ZINC000257223459 568675718 /nfs/dbraw/zinc/67/57/18/568675718.db2.gz DXLHWIRWAQYGSP-RTWAWAEBSA-N 1 1 437.588 3.262 40 0 IGABMO COCCNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3cnn(C)c3C)C2)cc2ccccc21 ZINC000257243585 568685456 /nfs/dbraw/zinc/68/54/56/568685456.db2.gz IHQKPQBZQUAHTP-LJQANCHMSA-N 1 1 436.560 3.153 40 0 IGABMO COCCNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3cnn(C)c3C)C2)cc2ccccc21 ZINC000257243585 568685458 /nfs/dbraw/zinc/68/54/58/568685458.db2.gz IHQKPQBZQUAHTP-LJQANCHMSA-N 1 1 436.560 3.153 40 0 IGABMO Cc1nc2cc([C@@H]3CCC[N@@H+]3CC3=CCCOC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257250341 568688669 /nfs/dbraw/zinc/68/86/69/568688669.db2.gz JMCZIDXXIMKRET-QHCPKHFHSA-N 1 1 437.588 3.385 40 0 IGABMO Cc1nc2cc([C@@H]3CCC[N@H+]3CC3=CCCOC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257250341 568688672 /nfs/dbraw/zinc/68/86/72/568688672.db2.gz JMCZIDXXIMKRET-QHCPKHFHSA-N 1 1 437.588 3.385 40 0 IGABMO O=C1NCCNC(=O)[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C/C=C/COc2ccccc21 ZINC000257254246 568690407 /nfs/dbraw/zinc/69/04/07/568690407.db2.gz KCHZJLJQGQJIDP-HWMYGDGXSA-N 1 1 433.552 3.154 40 0 IGABMO O=C1O[C@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccnc(N3CCCC3)n1)CC2 ZINC000257266550 568696128 /nfs/dbraw/zinc/69/61/28/568696128.db2.gz MDMAYYXOLJJXHF-RUZDIDTESA-N 1 1 435.572 3.496 40 0 IGABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000257272138 568698583 /nfs/dbraw/zinc/69/85/83/568698583.db2.gz NBFQILPAFKZGBO-AREMUKBSSA-N 1 1 449.599 3.180 40 0 IGABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000257272138 568698586 /nfs/dbraw/zinc/69/85/86/568698586.db2.gz NBFQILPAFKZGBO-AREMUKBSSA-N 1 1 449.599 3.180 40 0 IGABMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCCc1cc(=O)[nH]c(N)n1 ZINC000257298705 568710714 /nfs/dbraw/zinc/71/07/14/568710714.db2.gz RMYJNYOXHMGMJH-MJGOQNOKSA-N 1 1 427.549 3.112 40 0 IGABMO CCCCC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257328592 568723717 /nfs/dbraw/zinc/72/37/17/568723717.db2.gz XGIISSBRZFGLNH-XMMPIXPASA-N 1 1 433.568 3.168 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)C1 ZINC000257330491 568724745 /nfs/dbraw/zinc/72/47/45/568724745.db2.gz XOQYSIYXQGYRNH-IBGZPJMESA-N 1 1 438.576 3.021 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)C1 ZINC000257330492 568724759 /nfs/dbraw/zinc/72/47/59/568724759.db2.gz XOQYSIYXQGYRNH-LJQANCHMSA-N 1 1 438.576 3.021 40 0 IGABMO Cc1ncsc1C[N@H+]1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123331 568762465 /nfs/dbraw/zinc/76/24/65/568762465.db2.gz AKLRLEFIBGKIBZ-DENIHFKCSA-N 1 1 440.594 3.305 40 0 IGABMO Cc1ncsc1C[N@H+]1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123334 568762516 /nfs/dbraw/zinc/76/25/16/568762516.db2.gz AKLRLEFIBGKIBZ-UGKGYDQZSA-N 1 1 440.594 3.305 40 0 IGABMO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)s1 ZINC000306129066 568765504 /nfs/dbraw/zinc/76/55/04/568765504.db2.gz HTKUCVKUGHCZNX-QFIPXVFZSA-N 1 1 427.614 3.380 40 0 IGABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]2C3)cc1 ZINC000306138390 568770431 /nfs/dbraw/zinc/77/04/31/568770431.db2.gz RWKGAAYJFGYWED-DLBZAZTESA-N 1 1 437.931 3.497 40 0 IGABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccc(Cl)cc4)C[C@H]2C3)cc1 ZINC000306138391 568770500 /nfs/dbraw/zinc/77/05/00/568770500.db2.gz RWKGAAYJFGYWED-IAGOWNOFSA-N 1 1 437.931 3.497 40 0 IGABMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000101342873 568782120 /nfs/dbraw/zinc/78/21/20/568782120.db2.gz QXYIDKKHZBJMFP-WBYLCXCBSA-N 1 1 442.302 3.425 40 0 IGABMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101342873 568782121 /nfs/dbraw/zinc/78/21/21/568782121.db2.gz QXYIDKKHZBJMFP-WBYLCXCBSA-N 1 1 442.302 3.425 40 0 IGABMO O=C(CCc1nc(-c2ccncc2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199210 568921948 /nfs/dbraw/zinc/92/19/48/568921948.db2.gz WQOFROOHJBTXFK-BLRYILKCSA-N 1 1 433.556 3.486 40 0 IGABMO CCOc1ncc([C@]2(O)CC[C@@H]3C[N@@H+](Cc4cc(C)ccc4OC)C[C@H]32)c(OCC)n1 ZINC000247937830 569206554 /nfs/dbraw/zinc/20/65/54/569206554.db2.gz SXPYBZZQDYHDFU-WSCWJOSJSA-N 1 1 427.545 3.321 40 0 IGABMO CCC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000019498884 569226789 /nfs/dbraw/zinc/22/67/89/569226789.db2.gz KIMUWKWTVCEMJL-BVAGGSTKSA-N 1 1 438.568 3.401 40 0 IGABMO Cc1nn2c(nccc2[C@@H]2CN(C(=O)CC3CCCCC3)CCO2)c1Cn1cc[nH+]c1C ZINC000019707589 569234385 /nfs/dbraw/zinc/23/43/85/569234385.db2.gz WJIIPIMSHKPHOP-QFIPXVFZSA-N 1 1 436.560 3.461 40 0 IGABMO COc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)cc1 ZINC000049155093 291358745 /nfs/dbraw/zinc/35/87/45/291358745.db2.gz LIFZPTDKXNYWDI-NRFANRHFSA-N 1 1 434.544 3.229 40 0 biogenic,in-vitro IGABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](C2CCN(C(C)=O)CC2)C3)cc1 ZINC000096111885 291358759 /nfs/dbraw/zinc/35/87/59/291358759.db2.gz DAFRMPUMVADHBM-UPVQGACJSA-N 1 1 449.551 3.075 40 0 biogenic,in-vitro IGABMO O=C(NC[C@H]1OC[C@@H]([NH+](Cc2cccs2)Cc2cccs2)[C@@H]1O)c1ccccc1 ZINC000077263743 291361630 /nfs/dbraw/zinc/36/16/30/291361630.db2.gz XHEICOJWJNPMHY-NJYVYQBISA-N 1 1 428.579 3.370 40 0 biogenic,in-vitro IGABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425319 519716521 /nfs/dbraw/zinc/71/65/21/519716521.db2.gz VGDYGNOMODUKOI-NRFANRHFSA-N 1 1 448.527 3.264 40 0 biogenic,in-vitro IGABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425319 519716524 /nfs/dbraw/zinc/71/65/24/519716524.db2.gz VGDYGNOMODUKOI-NRFANRHFSA-N 1 1 448.527 3.264 40 0 biogenic,in-vitro IGABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2nccn2C)C1 ZINC000012087425 521355546 /nfs/dbraw/zinc/35/55/46/521355546.db2.gz LGGASNQHLHUGHX-CVDCTZTESA-N 1 1 428.508 3.288 40 0 IGABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](Cc2nccn2C)C1 ZINC000012087425 521355550 /nfs/dbraw/zinc/35/55/50/521355550.db2.gz LGGASNQHLHUGHX-CVDCTZTESA-N 1 1 428.508 3.288 40 0 IGABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)n2)cn1 ZINC000035425457 524041557 /nfs/dbraw/zinc/04/15/57/524041557.db2.gz FXJSIDOYMOXRRA-FQEVSTJZSA-N 1 1 437.500 3.452 40 0 biogenic,in-vitro IGABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(NC(C)=O)cc3)n2)cn1 ZINC000035425457 524041559 /nfs/dbraw/zinc/04/15/59/524041559.db2.gz FXJSIDOYMOXRRA-FQEVSTJZSA-N 1 1 437.500 3.452 40 0 biogenic,in-vitro IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022518127 527385305 /nfs/dbraw/zinc/38/53/05/527385305.db2.gz DREIGAATMOPKTN-HNNXBMFYSA-N 1 1 446.960 3.305 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022518120 527386813 /nfs/dbraw/zinc/38/68/13/527386813.db2.gz DREIGAATMOPKTN-OAHLLOKOSA-N 1 1 446.960 3.305 40 0 IGABMO O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000041689858 527658270 /nfs/dbraw/zinc/65/82/70/527658270.db2.gz AOSBVNFNAQNOCK-APNVUFTPSA-N 1 1 432.580 3.311 40 0 IGABMO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000030754343 556504203 /nfs/dbraw/zinc/50/42/03/556504203.db2.gz SUFSBXVDGJBZTC-OYRHEFFESA-N 1 1 449.661 3.021 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000038771165 556618850 /nfs/dbraw/zinc/61/88/50/556618850.db2.gz NFOWRTMFQBPSHQ-OAHLLOKOSA-N 1 1 446.960 3.305 40 0 IGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)C1 ZINC000044902058 556678180 /nfs/dbraw/zinc/67/81/80/556678180.db2.gz PRVHUJNHUUWZFW-BGYRXZFFSA-N 1 1 435.634 3.100 40 0 IGABMO CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](CC(=O)NCc2cccc3c2OCO3)CC1 ZINC000257216903 556703064 /nfs/dbraw/zinc/70/30/64/556703064.db2.gz CWPKJSGNIJRJDX-RUZDIDTESA-N 1 1 440.540 3.290 40 0 IGABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c(C)c1 ZINC000257338403 556706815 /nfs/dbraw/zinc/70/68/15/556706815.db2.gz YXGHFCNNSOWSCQ-QFIPXVFZSA-N 1 1 426.557 3.176 40 0 IGABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000257339963 556706998 /nfs/dbraw/zinc/70/69/98/556706998.db2.gz ZDXWOHFWTNNUTC-HHHXNRCGSA-N 1 1 442.563 3.067 40 0 IGABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000257339963 556706999 /nfs/dbraw/zinc/70/69/99/556706999.db2.gz ZDXWOHFWTNNUTC-HHHXNRCGSA-N 1 1 442.563 3.067 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000019370536 556747767 /nfs/dbraw/zinc/74/77/67/556747767.db2.gz BJLGZTLZMLYDDH-XZOQPEGZSA-N 1 1 448.611 3.383 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000019370578 556747812 /nfs/dbraw/zinc/74/78/12/556747812.db2.gz CKWMPJGBGYXWIU-QHCPKHFHSA-N 1 1 448.611 3.240 40 0 IGABMO O=C(NCCCc1cn[nH]c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372553 556749028 /nfs/dbraw/zinc/74/90/28/556749028.db2.gz CSFKMDMPCNIXHR-DHIUTWEWSA-N 1 1 434.515 3.229 40 0 IGABMO O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019400160 556752886 /nfs/dbraw/zinc/75/28/86/556752886.db2.gz JEWDLFQPJHRDLS-FQEVSTJZSA-N 1 1 435.553 3.152 40 0 IGABMO O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405357 556754871 /nfs/dbraw/zinc/75/48/71/556754871.db2.gz ZLDYISNWCDQNAE-QFIPXVFZSA-N 1 1 435.572 3.357 40 0 IGABMO O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405357 556754874 /nfs/dbraw/zinc/75/48/74/556754874.db2.gz ZLDYISNWCDQNAE-QFIPXVFZSA-N 1 1 435.572 3.357 40 0 IGABMO COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)cc21 ZINC000019448395 556757920 /nfs/dbraw/zinc/75/79/20/556757920.db2.gz XKBPAEUHHMCFJJ-FQEVSTJZSA-N 1 1 435.528 3.416 40 0 IGABMO C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn43)cc2)C1 ZINC000019496521 556769154 /nfs/dbraw/zinc/76/91/54/556769154.db2.gz MNQYEGKQWCPDKG-AWEZNQCLSA-N 1 1 432.450 3.158 40 0 IGABMO CCOc1cc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)on1 ZINC000019532356 556792844 /nfs/dbraw/zinc/79/28/44/556792844.db2.gz DFCJLOMYMQKFTQ-IBGZPJMESA-N 1 1 443.548 3.022 40 0 IGABMO COc1ccc(OC)c([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cnn(C)c2C)c1 ZINC000019553508 556797293 /nfs/dbraw/zinc/79/72/93/556797293.db2.gz TXOIMJDZWHMXQN-XZOQPEGZSA-N 1 1 434.540 3.144 40 0 IGABMO COc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C3CCCC3)CC4)C2)c1 ZINC000019564085 556804810 /nfs/dbraw/zinc/80/48/10/556804810.db2.gz DZHQLQYYACFZKO-SFHVURJKSA-N 1 1 436.556 3.050 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1OC ZINC000019567751 556807972 /nfs/dbraw/zinc/80/79/72/556807972.db2.gz NRNYATRZMSDTNP-UKPHBRMFSA-N 1 1 425.455 3.495 40 0 IGABMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064165494 556823041 /nfs/dbraw/zinc/82/30/41/556823041.db2.gz VTZNPOVOFZEUCE-YJLYGGOZSA-N 1 1 437.471 3.273 40 0 IGABMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064165494 556823042 /nfs/dbraw/zinc/82/30/42/556823042.db2.gz VTZNPOVOFZEUCE-YJLYGGOZSA-N 1 1 437.471 3.273 40 0 IGABMO CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000004932369 556826120 /nfs/dbraw/zinc/82/61/20/556826120.db2.gz CAVXVLDGPFQTDS-IBGZPJMESA-N 1 1 428.606 3.348 40 0 IGABMO CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000004932369 556826122 /nfs/dbraw/zinc/82/61/22/556826122.db2.gz CAVXVLDGPFQTDS-IBGZPJMESA-N 1 1 428.606 3.348 40 0 IGABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(Cc3cccnc3)c3ccccc13)C(=O)CC2 ZINC000019703736 556862083 /nfs/dbraw/zinc/86/20/83/556862083.db2.gz UUVPBPKZHQNXAC-UHFFFAOYSA-N 1 1 440.551 3.424 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(=O)c2cn(CCOC)c3ccccc23)nc2c1CC[N@H+](C)C2 ZINC000019707489 556867401 /nfs/dbraw/zinc/86/74/01/556867401.db2.gz KGAAEKCHHHYJGS-QFIPXVFZSA-N 1 1 448.571 3.085 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(=O)c2cn(CCOC)c3ccccc23)nc2c1CC[N@@H+](C)C2 ZINC000019707489 556867404 /nfs/dbraw/zinc/86/74/04/556867404.db2.gz KGAAEKCHHHYJGS-QFIPXVFZSA-N 1 1 448.571 3.085 40 0 IGABMO COc1cccc(CNc2cc(CC3CCN(C(=O)c4nonc4C)CC3)[nH+]c(C)n2)c1 ZINC000019758360 556902109 /nfs/dbraw/zinc/90/21/09/556902109.db2.gz GAERZYVSTUMGJO-UHFFFAOYSA-N 1 1 436.516 3.192 40 0 IGABMO O=C(NCCO)c1cc([C@@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)nc2ccccc21 ZINC000019761885 556905605 /nfs/dbraw/zinc/90/56/05/556905605.db2.gz TZMQUIACHNHAFS-LJQANCHMSA-N 1 1 426.520 3.495 40 0 IGABMO CC(C)c1ncc(C[N@H+]2CC[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cn1 ZINC000019761842 556905632 /nfs/dbraw/zinc/90/56/32/556905632.db2.gz YYUNTDMFGZPESX-LJQANCHMSA-N 1 1 433.556 3.202 40 0 IGABMO CCN(C(=O)C[NH+]1CCC([C@@H]2CC=CCN(CCOC)C2=O)CC1)c1cccc(C)c1 ZINC000072371079 556937259 /nfs/dbraw/zinc/93/72/59/556937259.db2.gz YHQRUXFNHYGETJ-QHCPKHFHSA-N 1 1 427.589 3.111 40 0 IGABMO COc1cccc(CCCNc2nc([C@H]3CCC[N@@H+](C)C3)nc3c2CCN(C(C)=O)C3)c1 ZINC000072373396 556946523 /nfs/dbraw/zinc/94/65/23/556946523.db2.gz RDMXSZOLJYWNJB-FQEVSTJZSA-N 1 1 437.588 3.244 40 0 IGABMO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CN4CC[NH+](C)CC4)C3)c(-c3ccncc3)c2c1 ZINC000072396779 556969633 /nfs/dbraw/zinc/96/96/33/556969633.db2.gz HYWIKPASTAFWAK-NRFANRHFSA-N 1 1 431.584 3.492 40 0 IGABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000020109273 556984481 /nfs/dbraw/zinc/98/44/81/556984481.db2.gz BIURABCLTNBWFW-UHFFFAOYSA-N 1 1 448.567 3.271 40 0 IGABMO COc1ccccc1-c1ccc2c(c1)C1(CN2C(=O)CN2CC[NH+](C)CC2)CCOCC1 ZINC000585105691 557037665 /nfs/dbraw/zinc/03/76/65/557037665.db2.gz CXVWGGOXIZPNHD-UHFFFAOYSA-N 1 1 435.568 3.004 40 0 IGABMO COc1ccc(-c2ccc3c(c2)C2(CN3C(=O)CC[NH+]3CCN(C)CC3)CCOCC2)cc1 ZINC000585106210 557039485 /nfs/dbraw/zinc/03/94/85/557039485.db2.gz WXZDQBJALXBDLO-UHFFFAOYSA-N 1 1 449.595 3.395 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000216268389 557141745 /nfs/dbraw/zinc/14/17/45/557141745.db2.gz BJNRVVANQUWOOK-SFHVURJKSA-N 1 1 440.569 3.268 40 0 IGABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(C(=O)Nc1cccc(OC)c1)CC3 ZINC000096143886 557171253 /nfs/dbraw/zinc/17/12/53/557171253.db2.gz QPMZQUCLDZONHP-GBXCKJPGSA-N 1 1 428.577 3.129 40 0 IGABMO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)O1)N1CCCC1 ZINC000096243700 557187496 /nfs/dbraw/zinc/18/74/96/557187496.db2.gz LWRHDFVRNSQBCT-IBGZPJMESA-N 1 1 432.927 3.188 40 0 IGABMO Cc1cc(O[C@H]2C[N@@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc(C)c1C ZINC000585267888 557207238 /nfs/dbraw/zinc/20/72/38/557207238.db2.gz OYOYDJWSHNIQQX-DQEYMECFSA-N 1 1 438.568 3.237 40 0 IGABMO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(COc2cc(C)ccc2Cl)C1 ZINC000585272118 557216714 /nfs/dbraw/zinc/21/67/14/557216714.db2.gz FTRLNMJBDFLHAV-HSZRJFAPSA-N 1 1 432.948 3.179 40 0 IGABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@](O)(COc2cc(C)ccc2Cl)C1 ZINC000585272118 557216717 /nfs/dbraw/zinc/21/67/17/557216717.db2.gz FTRLNMJBDFLHAV-HSZRJFAPSA-N 1 1 432.948 3.179 40 0 IGABMO O[C@@]1(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287187 557225863 /nfs/dbraw/zinc/22/58/63/557225863.db2.gz KHOKBCASUUXWLH-IEZKXTBUSA-N 1 1 429.532 3.357 40 0 IGABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000057774131 557264006 /nfs/dbraw/zinc/26/40/06/557264006.db2.gz YDBCOGUFWMEXNP-MBSDFSHPSA-N 1 1 427.545 3.205 40 0 IGABMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(Br)c1 ZINC000101163521 557283863 /nfs/dbraw/zinc/28/38/63/557283863.db2.gz JSQVMIFUNPZKQJ-FQEVSTJZSA-N 1 1 442.357 3.207 40 0 IGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC000260566817 557291907 /nfs/dbraw/zinc/29/19/07/557291907.db2.gz XYVBCRVKVQCIOX-IBGZPJMESA-N 1 1 429.586 3.364 40 0 IGABMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220538918 557299633 /nfs/dbraw/zinc/29/96/33/557299633.db2.gz SLZDIDCJYZPDNW-JOCHJYFZSA-N 1 1 443.613 3.192 40 0 IGABMO CC[NH+]1CCN(C(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)CC1 ZINC000113965593 557383821 /nfs/dbraw/zinc/38/38/21/557383821.db2.gz VJKYSHOKRASUOT-UHFFFAOYSA-N 1 1 429.586 3.047 40 0 IGABMO COc1ccccc1NC(=O)COc1ccc(Br)cc1CNCC[NH+](C)C ZINC000022942441 557528764 /nfs/dbraw/zinc/52/87/64/557528764.db2.gz ORDGVVMBHITJIM-UHFFFAOYSA-N 1 1 436.350 3.126 40 0 IGABMO CN(c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000224253190 557581455 /nfs/dbraw/zinc/58/14/55/557581455.db2.gz RUNNWXYXMXSCAD-UHFFFAOYSA-N 1 1 449.576 3.470 40 0 IGABMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000226002229 557800232 /nfs/dbraw/zinc/80/02/32/557800232.db2.gz ZZUPGILPYGXBQD-UHFFFAOYSA-N 1 1 446.960 3.045 40 0 IGABMO Cc1c(Cl)cccc1N(CCCC(=O)NCCC[N@@H+]1CCC[C@H](C)C1)S(C)(=O)=O ZINC000260746266 557852123 /nfs/dbraw/zinc/85/21/23/557852123.db2.gz VBMJJXKKRFRGSN-KRWDZBQOSA-N 1 1 444.041 3.433 40 0 IGABMO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260760802 557853590 /nfs/dbraw/zinc/85/35/90/557853590.db2.gz ACYXLMNPDYFEEE-WIYYLYMNSA-N 1 1 439.622 3.011 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260846812 557861997 /nfs/dbraw/zinc/86/19/97/557861997.db2.gz ZVBCWSJUXFEJPR-IBGZPJMESA-N 1 1 439.622 3.012 40 0 IGABMO O=C1CCCN1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585270480 568616648 /nfs/dbraw/zinc/61/66/48/568616648.db2.gz DOALZYNJNHSOHJ-SANMLTNESA-N 1 1 438.568 3.484 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000260910231 568629303 /nfs/dbraw/zinc/62/93/03/568629303.db2.gz XJNRDXLYTJZKJF-RTWAWAEBSA-N 1 1 435.634 3.167 40 0 IGABMO COc1ccc(-c2cccc([C@H]3CN(C(=O)c4noc(C)c4C[NH+](C)C)CCO3)n2)cc1 ZINC000257210715 568670149 /nfs/dbraw/zinc/67/01/49/568670149.db2.gz BVVHHECBFVVPDK-JOCHJYFZSA-N 1 1 436.512 3.329 40 0 IGABMO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCC[NH+]3CCN(C)CC3)c1O)OC2(C)C ZINC000257223069 568675819 /nfs/dbraw/zinc/67/58/19/568675819.db2.gz DVTRXVMDCPGDHU-MISYRCLQSA-N 1 1 429.605 3.450 40 0 IGABMO CCCn1c2ccc(NC(=O)C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cncnc3)cc2oc1=O ZINC000257243770 568685513 /nfs/dbraw/zinc/68/55/13/568685513.db2.gz IIMLKTDGACDNJY-SFHLNBCPSA-N 1 1 449.555 3.324 40 0 IGABMO COc1cccc(C[C@H]2CC[C@@H]3C[N@@H+](CC(=O)Nc4ccc5c(c4)oc(=O)n5C)C[C@H]23)c1 ZINC000257272731 568698937 /nfs/dbraw/zinc/69/89/37/568698937.db2.gz NDPJIUQELMHGBM-DBXWQHBBSA-N 1 1 435.524 3.279 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257281902 568702988 /nfs/dbraw/zinc/70/29/88/568702988.db2.gz ORKIGTIONTZKQY-NOZRDPDXSA-N 1 1 437.540 3.424 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257281902 568702990 /nfs/dbraw/zinc/70/29/90/568702990.db2.gz ORKIGTIONTZKQY-NOZRDPDXSA-N 1 1 437.540 3.424 40 0 IGABMO CC1CCN(c2ncc(C[N@H+]3CC[C@@H](c4c5cccnc5sc4C(N)=O)C3)cn2)CC1 ZINC000257308400 568714884 /nfs/dbraw/zinc/71/48/84/568714884.db2.gz TWPLRSIEVYRWAJ-QGZVFWFLSA-N 1 1 436.585 3.411 40 0 IGABMO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1Cn1cc[nH+]c1C ZINC000257314384 568717340 /nfs/dbraw/zinc/71/73/40/568717340.db2.gz UWSIPDWWUHYQQT-QHCPKHFHSA-N 1 1 432.524 3.294 40 0 IGABMO Cc1nc2cc([C@@H]3CCC[N@@H+]3CC3=CCCOC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257323059 568721393 /nfs/dbraw/zinc/72/13/93/568721393.db2.gz WIOZGCCZNGDQPF-FQEVSTJZSA-N 1 1 447.530 3.144 40 0 IGABMO Cc1nc2cc([C@@H]3CCC[N@H+]3CC3=CCCOC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257323059 568721398 /nfs/dbraw/zinc/72/13/98/568721398.db2.gz WIOZGCCZNGDQPF-FQEVSTJZSA-N 1 1 447.530 3.144 40 0 IGABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3ccc4[nH]c(C)nc4c3)CC[C@H]21 ZINC000257327782 568723288 /nfs/dbraw/zinc/72/32/88/568723288.db2.gz XCSNYVUZPPZBQA-PQNGQFLHSA-N 1 1 431.540 3.146 40 0 IGABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc(OCc2ccccn2)c1 ZINC000257331587 568725178 /nfs/dbraw/zinc/72/51/78/568725178.db2.gz XTMZGIKUDCDIFC-VWLOTQADSA-N 1 1 430.552 3.093 40 0 IGABMO Cc1cc(C)cc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133388 568767967 /nfs/dbraw/zinc/76/79/67/568767967.db2.gz MKBKOLOQFVZTGD-AHKZPQOWSA-N 1 1 442.563 3.491 40 0 IGABMO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC000306134251 568768116 /nfs/dbraw/zinc/76/81/16/568768116.db2.gz NHBCXDJTYQXQIX-NRFANRHFSA-N 1 1 435.568 3.089 40 0 IGABMO CCn1cc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133943 568768139 /nfs/dbraw/zinc/76/81/39/568768139.db2.gz MZUVAXBPEAOBIO-RCZVLFRGSA-N 1 1 447.587 3.094 40 0 IGABMO Cc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)s1 ZINC000306140184 568771412 /nfs/dbraw/zinc/77/14/12/568771412.db2.gz UMJWDPZYGZCGQF-LADGPHEKSA-N 1 1 434.565 3.244 40 0 IGABMO Cc1ncsc1C[N@H+]1CC[C@@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@H]12 ZINC000306141004 568771843 /nfs/dbraw/zinc/77/18/43/568771843.db2.gz VIQMDTKLBFKSNL-GBXCKJPGSA-N 1 1 448.596 3.094 40 0 IGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3nccs3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306142647 568772901 /nfs/dbraw/zinc/77/29/01/568772901.db2.gz XFLOQYHMFOJVGT-XXBNENTESA-N 1 1 436.585 3.334 40 0 IGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143827 568773384 /nfs/dbraw/zinc/77/33/84/568773384.db2.gz YNQANIFDPKKRRV-WIOPSUGQSA-N 1 1 430.556 3.272 40 0 IGABMO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000001473403 568788537 /nfs/dbraw/zinc/78/85/37/568788537.db2.gz CUECETIKZWRUNQ-QGZVFWFLSA-N 1 1 439.339 3.280 40 0 IGABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000101360897 568824519 /nfs/dbraw/zinc/82/45/19/568824519.db2.gz DFAXQDXNKHEZMB-QSNWEANLSA-N 1 1 443.837 3.049 40 0 IGABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101360897 568824522 /nfs/dbraw/zinc/82/45/22/568824522.db2.gz DFAXQDXNKHEZMB-QSNWEANLSA-N 1 1 443.837 3.049 40 0 IGABMO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000016779377 568893867 /nfs/dbraw/zinc/89/38/67/568893867.db2.gz DDGMWDAMBFEPOO-SFHVURJKSA-N 1 1 440.462 3.285 40 0 IGABMO Cc1ccc2cc(C[N@@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000004848018 568904434 /nfs/dbraw/zinc/90/44/34/568904434.db2.gz GOGUYBPGWBPWQK-HXUWFJFHSA-N 1 1 426.565 3.160 40 0 IGABMO Cc1ccc2cc(C[N@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000004848018 568904436 /nfs/dbraw/zinc/90/44/36/568904436.db2.gz GOGUYBPGWBPWQK-HXUWFJFHSA-N 1 1 426.565 3.160 40 0 IGABMO CN(C)c1ncc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)cn1 ZINC000012183417 569224852 /nfs/dbraw/zinc/22/48/52/569224852.db2.gz JXDQAQMPGGHFGD-VQTJNVASSA-N 1 1 436.585 3.382 40 0 IGABMO CN(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)cn1 ZINC000012183417 569224853 /nfs/dbraw/zinc/22/48/53/569224853.db2.gz JXDQAQMPGGHFGD-VQTJNVASSA-N 1 1 436.585 3.382 40 0 IGABMO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)cn1 ZINC000012183414 569224901 /nfs/dbraw/zinc/22/49/01/569224901.db2.gz JXDQAQMPGGHFGD-WOJBJXKFSA-N 1 1 436.585 3.382 40 0 IGABMO CN(C)c1ncc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)cn1 ZINC000012183414 569224902 /nfs/dbraw/zinc/22/49/02/569224902.db2.gz JXDQAQMPGGHFGD-WOJBJXKFSA-N 1 1 436.585 3.382 40 0 IGABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000019370563 569226675 /nfs/dbraw/zinc/22/66/75/569226675.db2.gz WBWDNJZROYXUKM-XZOQPEGZSA-N 1 1 448.611 3.240 40 0 IGABMO CCC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000019498883 569226832 /nfs/dbraw/zinc/22/68/32/569226832.db2.gz KIMUWKWTVCEMJL-OZXSUGGESA-N 1 1 438.568 3.401 40 0 IGABMO Cc1onc(C(=O)N2CCO[C@@H](c3ccc(Cc4ccccc4F)cn3)C2)c1C[NH+](C)C ZINC000019692208 569227831 /nfs/dbraw/zinc/22/78/31/569227831.db2.gz LOYXNYGJRXGCLG-JOCHJYFZSA-N 1 1 438.503 3.383 40 0 IGABMO Cc1nc([C@H]2CC[N@H+](Cc3cc4ccccc4nc3N(C)C)C2)nc2c1CCC(=O)N2C ZINC000019738806 569236051 /nfs/dbraw/zinc/23/60/51/569236051.db2.gz ZEPWGIOEJYITQX-SFHVURJKSA-N 1 1 430.556 3.298 40 0 IGABMO COc1cccc(C[NH2+]C2(Cc3cc(CN4CCN(c5ccccc5)CC4)on3)COC2)c1 ZINC000067898446 291359074 /nfs/dbraw/zinc/35/90/74/291359074.db2.gz DXFFBSSHGJZMOG-UHFFFAOYSA-N 1 1 448.567 3.107 40 0 biogenic,in-vitro IGABMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035843180 521731087 /nfs/dbraw/zinc/73/10/87/521731087.db2.gz WFDQUOKRUGEQJS-ZUVQJFRASA-N 1 1 429.520 3.149 40 0 IGABMO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000022527117 521848151 /nfs/dbraw/zinc/84/81/51/521848151.db2.gz PAOOJYAQIVEBAY-NRFANRHFSA-N 1 1 426.542 3.042 40 0 IGABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1Br ZINC000020456854 525068982 /nfs/dbraw/zinc/06/89/82/525068982.db2.gz LVMWHJGLZXFGQP-UHFFFAOYSA-N 1 1 436.331 3.430 40 0 IGABMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844066 526213767 /nfs/dbraw/zinc/21/37/67/526213767.db2.gz KAGCDJKHLXHNNM-AGFSROSKSA-N 1 1 435.911 3.388 40 0 IGABMO O=C(C[NH+]1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1)Nc1cccc2ccccc21 ZINC000012114042 526728739 /nfs/dbraw/zinc/72/87/39/526728739.db2.gz WNZXMZSKSJYBND-UHFFFAOYSA-N 1 1 445.445 3.457 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000020450396 527372083 /nfs/dbraw/zinc/37/20/83/527372083.db2.gz UEWRMAUHBAKTJC-OAHLLOKOSA-N 1 1 446.960 3.305 40 0 IGABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1C ZINC000034689863 555803399 /nfs/dbraw/zinc/80/33/99/555803399.db2.gz ODGLKQQJSRDQJP-KCOOYEKVSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1C ZINC000034689863 555803400 /nfs/dbraw/zinc/80/34/00/555803400.db2.gz ODGLKQQJSRDQJP-KCOOYEKVSA-N 1 1 435.911 3.388 40 0 IGABMO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000044899791 556676695 /nfs/dbraw/zinc/67/66/95/556676695.db2.gz KUEUINFBKTWPEL-OAQYLSRUSA-N 1 1 440.569 3.350 40 0 IGABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257322472 556704538 /nfs/dbraw/zinc/70/45/38/556704538.db2.gz WGCRHMBDKIOMJE-DEOSSOPVSA-N 1 1 430.552 3.093 40 0 IGABMO Cc1ccc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](Cc3cccnc3)C4)C2)cc1 ZINC000019135152 556705786 /nfs/dbraw/zinc/70/57/86/556705786.db2.gz VMDCUZZPVPTBIL-FQEVSTJZSA-N 1 1 429.524 3.074 40 0 IGABMO Cc1ccc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](Cc3cccnc3)C4)C2)cc1 ZINC000019135152 556705787 /nfs/dbraw/zinc/70/57/87/556705787.db2.gz VMDCUZZPVPTBIL-FQEVSTJZSA-N 1 1 429.524 3.074 40 0 IGABMO CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000257237889 556710049 /nfs/dbraw/zinc/71/00/49/556710049.db2.gz HIRVHPXNSBQTAO-RUZDIDTESA-N 1 1 426.557 3.440 40 0 IGABMO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CCN1Cc1ccccc1 ZINC000257255430 556712090 /nfs/dbraw/zinc/71/20/90/556712090.db2.gz KHLKEGGECSHETP-VWLOTQADSA-N 1 1 430.552 3.093 40 0 IGABMO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CCN1Cc1ccccc1 ZINC000257255430 556712091 /nfs/dbraw/zinc/71/20/91/556712091.db2.gz KHLKEGGECSHETP-VWLOTQADSA-N 1 1 430.552 3.093 40 0 IGABMO COc1c(C)cccc1C[N@H+]1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCC3)n2)C1 ZINC000019236011 556720534 /nfs/dbraw/zinc/72/05/34/556720534.db2.gz CVFKKYUDQNRZAL-SFTDATJTSA-N 1 1 437.588 3.134 40 0 IGABMO Cc1cccc(C[N@@H+]2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000019236298 556720894 /nfs/dbraw/zinc/72/08/94/556720894.db2.gz LPJSQYSHFCVDFN-SANMLTNESA-N 1 1 430.552 3.354 40 0 IGABMO Cc1cccc(C[N@H+]2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000019236298 556720897 /nfs/dbraw/zinc/72/08/97/556720897.db2.gz LPJSQYSHFCVDFN-SANMLTNESA-N 1 1 430.552 3.354 40 0 IGABMO Cn1c2ccc(C[N@H+]3CCC[C@@H](c4cc(=O)[nH]c(-c5cccs5)n4)C3)cc2n(C)c1=O ZINC000019289795 556729653 /nfs/dbraw/zinc/72/96/53/556729653.db2.gz VCVGEAVBKNLKNE-MRXNPFEDSA-N 1 1 435.553 3.068 40 0 IGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000019293847 556733300 /nfs/dbraw/zinc/73/33/00/556733300.db2.gz MEQNRTKQTRVHOE-JOCHJYFZSA-N 1 1 436.535 3.409 40 0 IGABMO O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019337652 556738988 /nfs/dbraw/zinc/73/89/88/556738988.db2.gz KNQYOBBTZZZJTK-QFIPXVFZSA-N 1 1 435.572 3.471 40 0 IGABMO O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339512 556739472 /nfs/dbraw/zinc/73/94/72/556739472.db2.gz JQZAVSOPFKVFDE-FQEVSTJZSA-N 1 1 435.572 3.010 40 0 IGABMO O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339512 556739477 /nfs/dbraw/zinc/73/94/77/556739477.db2.gz JQZAVSOPFKVFDE-FQEVSTJZSA-N 1 1 435.572 3.010 40 0 IGABMO O=C(NCc1cccs1)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](Cc2ccccc2)CC1 ZINC000019372433 556748814 /nfs/dbraw/zinc/74/88/14/556748814.db2.gz CTEUMYIGWPRYNQ-UHFFFAOYSA-N 1 1 444.560 3.446 40 0 IGABMO O=C(COc1ccccn1)N1C[C@H](c2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]21 ZINC000019402195 556753695 /nfs/dbraw/zinc/75/36/95/556753695.db2.gz UPYVLOSQCOECTC-WXFUMESZSA-N 1 1 435.568 3.477 40 0 IGABMO O=C(CCCn1ccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019403590 556754179 /nfs/dbraw/zinc/75/41/79/556754179.db2.gz ZKJDPGMDPBGRMP-NRFANRHFSA-N 1 1 438.576 3.213 40 0 IGABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[nH]c2=O)C1 ZINC000019448341 556757451 /nfs/dbraw/zinc/75/74/51/556757451.db2.gz RSGZFYSHCFIBBT-QFIPXVFZSA-N 1 1 437.588 3.311 40 0 IGABMO COc1ccc2cc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)[nH]c2c1 ZINC000019448411 556758109 /nfs/dbraw/zinc/75/81/09/556758109.db2.gz ZNLLNEQJAKADKP-NRFANRHFSA-N 1 1 435.528 3.416 40 0 IGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449990 556760774 /nfs/dbraw/zinc/76/07/74/556760774.db2.gz JKTASVMBWTZRKF-WOJBJXKFSA-N 1 1 443.542 3.485 40 0 IGABMO C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019496356 556769062 /nfs/dbraw/zinc/76/90/62/556769062.db2.gz NJMOLRQUPLKFOP-AWEZNQCLSA-N 1 1 432.450 3.301 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc(OC)c1OC ZINC000019549803 556794972 /nfs/dbraw/zinc/79/49/72/556794972.db2.gz KIGKGCMFWIBDLT-OAHLLOKOSA-N 1 1 429.546 3.340 40 0 IGABMO COc1cc2c(cc1C[N@@H+]1C[C@@H](c3cc(F)ccc3F)[C@]3(C1)CCCC(=O)N3)OCCO2 ZINC000019550604 556795388 /nfs/dbraw/zinc/79/53/88/556795388.db2.gz AFUSOBAMIKTJLT-MHECFPHRSA-N 1 1 444.478 3.383 40 0 IGABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3cc(F)ccc3F)[C@]3(C1)CCCC(=O)N3)OCCO2 ZINC000019550604 556795392 /nfs/dbraw/zinc/79/53/92/556795392.db2.gz AFUSOBAMIKTJLT-MHECFPHRSA-N 1 1 444.478 3.383 40 0 IGABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 ZINC000019551493 556795703 /nfs/dbraw/zinc/79/57/03/556795703.db2.gz CZKFAEYRVOYFPS-SANMLTNESA-N 1 1 446.551 3.471 40 0 IGABMO Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)cnn1C ZINC000019553348 556797362 /nfs/dbraw/zinc/79/73/62/556797362.db2.gz BLUBLLKWSQIERK-OAQYLSRUSA-N 1 1 438.576 3.282 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccncc4)[nH]c(=O)c3C2)cc1 ZINC000019555534 556798798 /nfs/dbraw/zinc/79/87/98/556798798.db2.gz YGTPUNJXFOOHSL-JOCHJYFZSA-N 1 1 445.523 3.121 40 0 IGABMO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000006408492 556834909 /nfs/dbraw/zinc/83/49/09/556834909.db2.gz PVPNVDOBNJDTHI-OAQYLSRUSA-N 1 1 436.560 3.337 40 0 IGABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000006408492 556834913 /nfs/dbraw/zinc/83/49/13/556834913.db2.gz PVPNVDOBNJDTHI-OAQYLSRUSA-N 1 1 436.560 3.337 40 0 IGABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@H+](C)Cc3ccc(-c4ccccn4)cc3)cc2)C1 ZINC000019699214 556858309 /nfs/dbraw/zinc/85/83/09/556858309.db2.gz WMWRXPMJMRTPRF-RPBOFIJWSA-N 1 1 442.563 3.428 40 0 IGABMO CNc1nc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)nc2c1CC[N@H+](C)C2 ZINC000019707488 556867394 /nfs/dbraw/zinc/86/73/94/556867394.db2.gz UFQDIWKCBFEPQU-LJQANCHMSA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)nc2c1CC[N@@H+](C)C2 ZINC000019707488 556867395 /nfs/dbraw/zinc/86/73/95/556867395.db2.gz UFQDIWKCBFEPQU-LJQANCHMSA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@H]2CCCN(C(=O)CCN3CCCc4ccccc43)C2)nc2c1CC[N@H+](C)C2 ZINC000019708795 556870145 /nfs/dbraw/zinc/87/01/45/556870145.db2.gz PHSUIDJOJIHQHB-FQEVSTJZSA-N 1 1 448.615 3.055 40 0 IGABMO CNc1nc([C@H]2CCCN(C(=O)CCN3CCCc4ccccc43)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708795 556870150 /nfs/dbraw/zinc/87/01/50/556870150.db2.gz PHSUIDJOJIHQHB-FQEVSTJZSA-N 1 1 448.615 3.055 40 0 IGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(NCCCN(C)c3ccccc3)c2C1 ZINC000019711329 556875551 /nfs/dbraw/zinc/87/55/51/556875551.db2.gz IXHKJUNEHUKDRT-HXUWFJFHSA-N 1 1 436.604 3.129 40 0 IGABMO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 ZINC000019741774 556884697 /nfs/dbraw/zinc/88/46/97/556884697.db2.gz QUAUNXMRLOCBIG-HSZRJFAPSA-N 1 1 447.583 3.412 40 0 IGABMO CC(=O)N1CCC([N@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 ZINC000019741774 556884700 /nfs/dbraw/zinc/88/47/00/556884700.db2.gz QUAUNXMRLOCBIG-HSZRJFAPSA-N 1 1 447.583 3.412 40 0 IGABMO CCn1c2ccc(C[N@H+]3CC[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)cc2n(CC)c1=O ZINC000019761748 556905224 /nfs/dbraw/zinc/90/52/24/556905224.db2.gz YWCREVNYQQPKIZ-SFHVURJKSA-N 1 1 443.551 3.479 40 0 IGABMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352362 556923927 /nfs/dbraw/zinc/92/39/27/556923927.db2.gz LBTDWFKIBFFTHS-KRWDZBQOSA-N 1 1 429.586 3.031 40 0 IGABMO CCN(CC)C(=O)C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352362 556923930 /nfs/dbraw/zinc/92/39/30/556923930.db2.gz LBTDWFKIBFFTHS-KRWDZBQOSA-N 1 1 429.586 3.031 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccccc1 ZINC000072371914 556941377 /nfs/dbraw/zinc/94/13/77/556941377.db2.gz IPLVSDKXHUYWBJ-NRFANRHFSA-N 1 1 444.539 3.133 40 0 IGABMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373053 556945438 /nfs/dbraw/zinc/94/54/38/556945438.db2.gz BHBSLIMPKSRXNY-YADHBBJMSA-N 1 1 434.584 3.165 40 0 IGABMO COc1cccc(CCCNc2nc([C@@H]3CCC[N@@H+](C)C3)nc3c2CCN(C(C)=O)C3)c1 ZINC000072373395 556946573 /nfs/dbraw/zinc/94/65/73/556946573.db2.gz RDMXSZOLJYWNJB-HXUWFJFHSA-N 1 1 437.588 3.244 40 0 IGABMO Nc1ncc(-c2ccc([C@@H]3CCC[N@H+](CC(=O)N4CCCc5ccccc54)C3)nc2)cn1 ZINC000072374119 556947143 /nfs/dbraw/zinc/94/71/43/556947143.db2.gz KIKDXTPOAMSHAD-HXUWFJFHSA-N 1 1 428.540 3.280 40 0 IGABMO Nc1ncc(-c2ccc([C@@H]3CCC[N@@H+](CC(=O)N4CCCc5ccccc54)C3)nc2)cn1 ZINC000072374119 556947146 /nfs/dbraw/zinc/94/71/46/556947146.db2.gz KIKDXTPOAMSHAD-HXUWFJFHSA-N 1 1 428.540 3.280 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)ccc1OCC(N)=O ZINC000072375747 556952891 /nfs/dbraw/zinc/95/28/91/556952891.db2.gz BHAUKURACNTHDQ-QGZVFWFLSA-N 1 1 439.541 3.492 40 0 IGABMO Cc1cc(C[N@H+]2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)c(C)n1C[C@@H]1CCCO1 ZINC000072389582 556959711 /nfs/dbraw/zinc/95/97/11/556959711.db2.gz HVBOCUMJMIUQOW-UWJYYQICSA-N 1 1 439.604 3.162 40 0 IGABMO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCC3)C4)C2)CC1 ZINC000257300606 557000634 /nfs/dbraw/zinc/00/06/34/557000634.db2.gz RVARIKQFKGPQMK-LNLFQRSKSA-N 1 1 428.577 3.004 40 0 IGABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)c2ncn(-c4cccc(F)c4)n2)C3)s1 ZINC000585102112 557035615 /nfs/dbraw/zinc/03/56/15/557035615.db2.gz SAXDURIAIYFQQJ-OAQYLSRUSA-N 1 1 426.521 3.052 40 0 IGABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)c2ncn(-c4cccc(F)c4)n2)C3)s1 ZINC000585102112 557035618 /nfs/dbraw/zinc/03/56/18/557035618.db2.gz SAXDURIAIYFQQJ-OAQYLSRUSA-N 1 1 426.521 3.052 40 0 IGABMO COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(OC)cc(OC)c1)CC2)C(C)C ZINC000585103032 557037129 /nfs/dbraw/zinc/03/71/29/557037129.db2.gz BKTCTOZVRXKVJG-QFIPXVFZSA-N 1 1 434.577 3.072 40 0 IGABMO COc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)cc1C ZINC000585109521 557041780 /nfs/dbraw/zinc/04/17/80/557041780.db2.gz VTBABTGMNNYHGP-QIJUGHKUSA-N 1 1 445.510 3.220 40 0 IGABMO COc1ccc(OCC(=O)N2CCc3[nH]nc(-c4cccc5c4C[N@@H+](C)C5)c3CC2)cc1 ZINC000585110294 557043316 /nfs/dbraw/zinc/04/33/16/557043316.db2.gz AFSOWRCOCUECLY-UHFFFAOYSA-N 1 1 432.524 3.037 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000216481156 557147788 /nfs/dbraw/zinc/14/77/88/557147788.db2.gz XCZIEXDEQGEBHY-GOSISDBHSA-N 1 1 440.569 3.268 40 0 IGABMO CCCCNC(=O)N1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242285 557186367 /nfs/dbraw/zinc/18/63/67/557186367.db2.gz HIYWNNLXRHEOQO-FQEVSTJZSA-N 1 1 426.605 3.181 40 0 IGABMO CCc1ccc(NC(=O)CN2C[C@]3(NC(C)=O)C[N@@H+](C)CC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000585262204 557201151 /nfs/dbraw/zinc/20/11/51/557201151.db2.gz OURMQKUTBAPNLX-LGPLSSKUSA-N 1 1 434.584 3.071 40 0 IGABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@](O)(COc2ccc(C)cc2C)CC1 ZINC000585274090 557218413 /nfs/dbraw/zinc/21/84/13/557218413.db2.gz RAORFBYDNYGNBC-VWLOTQADSA-N 1 1 426.557 3.224 40 0 IGABMO CC(C)C[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929657 557273851 /nfs/dbraw/zinc/27/38/51/557273851.db2.gz MOXNBNIBHWHJCE-JOCHJYFZSA-N 1 1 448.571 3.355 40 0 IGABMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000033862619 557373887 /nfs/dbraw/zinc/37/38/87/557373887.db2.gz CAJNLWNSIOWMER-MASGSYHESA-N 1 1 449.938 3.494 40 0 IGABMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@@H](N5CCOCC5)C[C@@]43C)[C@@H]1C[C@@H]([N@H+]1C=CCC1)[C@@H]2O ZINC000118912963 557404998 /nfs/dbraw/zinc/40/49/98/557404998.db2.gz HONJGNADBNVCIU-KJGDDJSISA-N 1 1 444.660 3.260 40 0 IGABMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@@H](N5CCOCC5)C[C@@]43C)[C@@H]1C[C@@H]([N@@H+]1C=CCC1)[C@@H]2O ZINC000118912963 557405001 /nfs/dbraw/zinc/40/50/01/557405001.db2.gz HONJGNADBNVCIU-KJGDDJSISA-N 1 1 444.660 3.260 40 0 IGABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c12 ZINC000019236482 557498369 /nfs/dbraw/zinc/49/83/69/557498369.db2.gz KEUNVANDCBZULK-UHFFFAOYSA-N 1 1 448.567 3.271 40 0 IGABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2c1C ZINC000019823481 557508240 /nfs/dbraw/zinc/50/82/40/557508240.db2.gz XIXDRTZCPFWMMU-UHFFFAOYSA-N 1 1 444.645 3.200 40 0 IGABMO CC[C@H](C)NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000020081309 557514759 /nfs/dbraw/zinc/51/47/59/557514759.db2.gz MSVGRDXJXGYOCH-SFHVURJKSA-N 1 1 430.618 3.034 40 0 IGABMO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)ccc(O)c12 ZINC000073351368 560046939 /nfs/dbraw/zinc/04/69/39/560046939.db2.gz QMJLOWCMXXVLQW-CUWBUZBVSA-N 1 1 433.504 3.119 40 0 biogenic,in-vitro IGABMO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)ccc(O)c12 ZINC000073351368 560046940 /nfs/dbraw/zinc/04/69/40/560046940.db2.gz QMJLOWCMXXVLQW-CUWBUZBVSA-N 1 1 433.504 3.119 40 0 biogenic,in-vitro IGABMO Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[N@@H+]2CCc3ccccc3C2)cn1 ZINC000585262316 568616505 /nfs/dbraw/zinc/61/65/05/568616505.db2.gz VWWWASPXEPKJHA-XPGKHFPBSA-N 1 1 443.547 3.128 40 0 IGABMO Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[N@H+]2CCc3ccccc3C2)cn1 ZINC000585262316 568616506 /nfs/dbraw/zinc/61/65/06/568616506.db2.gz VWWWASPXEPKJHA-XPGKHFPBSA-N 1 1 443.547 3.128 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1OCCn1ccnc1 ZINC000585270700 568617263 /nfs/dbraw/zinc/61/72/63/568617263.db2.gz IDULBBIMZKWXJZ-RUZDIDTESA-N 1 1 437.540 3.377 40 0 IGABMO c1cn2nc(C[C@H]3COCC[N@H+](Cc4cccc(OCc5ccccn5)c4)C3)ccc2n1 ZINC000257237736 568682784 /nfs/dbraw/zinc/68/27/84/568682784.db2.gz HHXLSHQKIOAEGP-OAQYLSRUSA-N 1 1 429.524 3.394 40 0 IGABMO COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2ccccc2Cn2cc[nH+]c2C)cc1 ZINC000257280536 568702560 /nfs/dbraw/zinc/70/25/60/568702560.db2.gz OLGSEZILLDNDRF-DEOSSOPVSA-N 1 1 432.524 3.294 40 0 IGABMO Cc1nn(C)cc1S(=O)(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@H]2Cc1ccccc1 ZINC000257294928 568708956 /nfs/dbraw/zinc/70/89/56/568708956.db2.gz QWHRMQNOQISNPI-KHFRZORUSA-N 1 1 442.629 3.366 40 0 IGABMO CC(C)n1nccc1NC(=O)C[N@@H+]1CCC[C@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257297060 568710145 /nfs/dbraw/zinc/71/01/45/568710145.db2.gz RFPYFGUTWGGDNA-HSZRJFAPSA-N 1 1 425.533 3.280 40 0 IGABMO CC(C)n1nccc1NC(=O)C[N@H+]1CCC[C@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257297060 568710148 /nfs/dbraw/zinc/71/01/48/568710148.db2.gz RFPYFGUTWGGDNA-HSZRJFAPSA-N 1 1 425.533 3.280 40 0 IGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257311429 568715984 /nfs/dbraw/zinc/71/59/84/568715984.db2.gz UJKNXODEWYLBHK-FQEVSTJZSA-N 1 1 426.536 3.013 40 0 IGABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000257325221 568722440 /nfs/dbraw/zinc/72/24/40/568722440.db2.gz WRZMXOMJXQSTCD-LJQANCHMSA-N 1 1 437.588 3.346 40 0 IGABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000257325221 568722444 /nfs/dbraw/zinc/72/24/44/568722444.db2.gz WRZMXOMJXQSTCD-LJQANCHMSA-N 1 1 437.588 3.346 40 0 IGABMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1OCC(N)=O)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257327017 568723145 /nfs/dbraw/zinc/72/31/45/568723145.db2.gz WZNOENQNXYRBFN-PQNGQFLHSA-N 1 1 441.572 3.036 40 0 IGABMO CCCN1CC[N@H+](Cc2cnc(NC)nc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257338781 568728231 /nfs/dbraw/zinc/72/82/31/568728231.db2.gz YYYPGSPMUHGPGE-HSZRJFAPSA-N 1 1 444.583 3.493 40 0 IGABMO CCCN1CC[N@@H+](Cc2cnc(NC)nc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257338781 568728233 /nfs/dbraw/zinc/72/82/33/568728233.db2.gz YYYPGSPMUHGPGE-HSZRJFAPSA-N 1 1 444.583 3.493 40 0 IGABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000257340241 568728635 /nfs/dbraw/zinc/72/86/35/568728635.db2.gz ZFDYZVNSTXOHIQ-SANMLTNESA-N 1 1 435.568 3.152 40 0 IGABMO Cc1ccsc1C[N@H+]1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126489 568764157 /nfs/dbraw/zinc/76/41/57/568764157.db2.gz DXLMVBOELGXHOX-XUZZJYLKSA-N 1 1 434.565 3.244 40 0 IGABMO COc1ccc(CN2C[C@]3(CC[N@H+](C4CCC4)C3)Oc3ccccc3S2(=O)=O)cc1 ZINC000306135821 568769238 /nfs/dbraw/zinc/76/92/38/568769238.db2.gz PCBLVFHLYHELBI-HSZRJFAPSA-N 1 1 428.554 3.276 40 0 IGABMO CCc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137483 568770269 /nfs/dbraw/zinc/77/02/69/568770269.db2.gz QXMUHQAWHPXKMZ-BDYUSTAISA-N 1 1 442.563 3.436 40 0 IGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000306138620 568770711 /nfs/dbraw/zinc/77/07/11/568770711.db2.gz SCISQOSKZZOLJG-WMZHIEFXSA-N 1 1 425.602 3.091 40 0 IGABMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344761 568782151 /nfs/dbraw/zinc/78/21/51/568782151.db2.gz ZNIAEOAOTYSHDY-PLOUGOBLSA-N 1 1 435.911 3.388 40 0 IGABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103507555 568897088 /nfs/dbraw/zinc/89/70/88/568897088.db2.gz WFDQUOKRUGEQJS-BILGYAHESA-N 1 1 429.520 3.149 40 0 IGABMO O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198779 568921675 /nfs/dbraw/zinc/92/16/75/568921675.db2.gz IBWLJIVHSUCLKY-QEUIGEMPSA-N 1 1 435.568 3.372 40 0 IGABMO Cc1nn2cnnc2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198520 568921715 /nfs/dbraw/zinc/92/17/15/568921715.db2.gz BFAURSZAVUNUMG-MNHFLQJXSA-N 1 1 434.588 3.095 40 0 IGABMO O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198780 568921731 /nfs/dbraw/zinc/92/17/31/568921731.db2.gz IBWLJIVHSUCLKY-XBLPNDSKSA-N 1 1 435.568 3.372 40 0 IGABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000006960813 569218798 /nfs/dbraw/zinc/21/87/98/569218798.db2.gz LBJWHWSUKHMDMG-UHFFFAOYSA-N 1 1 427.570 3.334 40 0 IGABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@@H](C)C1 ZINC000019527036 569226783 /nfs/dbraw/zinc/22/67/83/569226783.db2.gz KSIYVZAIKRPLAT-ICSRJNTNSA-N 1 1 435.634 3.207 40 0 IGABMO Cc1cccc(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 ZINC000019692762 569228290 /nfs/dbraw/zinc/22/82/90/569228290.db2.gz ZWAZOCPAXINNLU-QFIPXVFZSA-N 1 1 431.540 3.190 40 0 IGABMO Cc1cccc(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 ZINC000019692762 569228292 /nfs/dbraw/zinc/22/82/92/569228292.db2.gz ZWAZOCPAXINNLU-QFIPXVFZSA-N 1 1 431.540 3.190 40 0 IGABMO CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)C[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000019697655 569230018 /nfs/dbraw/zinc/23/00/18/569230018.db2.gz KESGINULPABOKW-HXUWFJFHSA-N 1 1 449.576 3.219 40 0 IGABMO CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)C[N@H+]2CCc3ccccc3C2)CCO1 ZINC000019697655 569230019 /nfs/dbraw/zinc/23/00/19/569230019.db2.gz KESGINULPABOKW-HXUWFJFHSA-N 1 1 449.576 3.219 40 0 IGABMO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)[N@@H+]2Cc2ccnc(N3CCCC3)n2)N1 ZINC000019713943 569235770 /nfs/dbraw/zinc/23/57/70/569235770.db2.gz ZYKVKDNXWFDCIV-XPWALMASSA-N 1 1 437.563 3.460 40 0 IGABMO Cn1cc(C[N@@H+]2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c2ccccc21 ZINC000019762057 569328844 /nfs/dbraw/zinc/32/88/44/569328844.db2.gz KBCFWJQPXHCGGD-VWLOTQADSA-N 1 1 444.535 3.022 40 0 IGABMO Cn1cc(C[N@H+]2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c2ccccc21 ZINC000019762057 569328845 /nfs/dbraw/zinc/32/88/45/569328845.db2.gz KBCFWJQPXHCGGD-VWLOTQADSA-N 1 1 444.535 3.022 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000044884734 527369232 /nfs/dbraw/zinc/36/92/32/527369232.db2.gz ZFBHBALNHNRPDB-UHFFFAOYSA-N 1 1 446.960 3.225 40 0 IGABMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000408615576 555986874 /nfs/dbraw/zinc/98/68/74/555986874.db2.gz QVRLLAYTQBDYTI-UHFFFAOYSA-N 1 1 446.345 3.154 40 0 IGABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H](C)Cn4cc[nH+]c4C)C3)cc2n1 ZINC000012088426 556401160 /nfs/dbraw/zinc/40/11/60/556401160.db2.gz NQULMKCRVMVFDI-UKRRQHHQSA-N 1 1 434.466 3.468 40 0 IGABMO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030848246 556508123 /nfs/dbraw/zinc/50/81/23/556508123.db2.gz VVJQTMSNERPRKL-FQEVSTJZSA-N 1 1 444.532 3.181 40 0 IGABMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000015240826 556513386 /nfs/dbraw/zinc/51/33/86/556513386.db2.gz VGEBQTXHXAHOKY-PZJWPPBQSA-N 1 1 447.560 3.491 40 0 IGABMO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000044899790 556676661 /nfs/dbraw/zinc/67/66/61/556676661.db2.gz KUEUINFBKTWPEL-NRFANRHFSA-N 1 1 440.569 3.350 40 0 IGABMO COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044939496 556683253 /nfs/dbraw/zinc/68/32/53/556683253.db2.gz PRHQXUHBPQEKQO-UHFFFAOYSA-N 1 1 442.541 3.187 40 0 IGABMO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCC[NH+]3CCOCC3)CCCO2)c1 ZINC000257334640 556706289 /nfs/dbraw/zinc/70/62/89/556706289.db2.gz YGTTTWFHKDVINI-AREMUKBSSA-N 1 1 438.568 3.292 40 0 IGABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000257343278 556709767 /nfs/dbraw/zinc/70/97/67/556709767.db2.gz ZSGLXNNVJVDZRA-XMMPIXPASA-N 1 1 430.520 3.271 40 0 IGABMO Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019238461 556723358 /nfs/dbraw/zinc/72/33/58/556723358.db2.gz VXPUBISGZKLJSS-OAQYLSRUSA-N 1 1 438.576 3.132 40 0 IGABMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019375368 556751456 /nfs/dbraw/zinc/75/14/56/556751456.db2.gz IEOHPIWSTKDLNA-UHFFFAOYSA-N 1 1 434.565 3.263 40 0 IGABMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019375368 556751458 /nfs/dbraw/zinc/75/14/58/556751458.db2.gz IEOHPIWSTKDLNA-UHFFFAOYSA-N 1 1 434.565 3.263 40 0 IGABMO COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[nH]3)C[N@H+](C(C)C)CC4)[nH]c2c1 ZINC000019448167 556757671 /nfs/dbraw/zinc/75/76/71/556757671.db2.gz ZVKWKVYTNHLGJM-JOCHJYFZSA-N 1 1 449.555 3.394 40 0 IGABMO CCCc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1 ZINC000019525742 556783442 /nfs/dbraw/zinc/78/34/42/556783442.db2.gz MGBAIOHIBLFTJH-YKSBVNFPSA-N 1 1 438.572 3.459 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552266 556795879 /nfs/dbraw/zinc/79/58/79/556795879.db2.gz JDYYAKIGKVZYAJ-QANKJYHBSA-N 1 1 425.455 3.495 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCN(C(=O)C[C@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555561 556798599 /nfs/dbraw/zinc/79/85/99/556798599.db2.gz IKQQUMCOJXYOEM-AZUAARDMSA-N 1 1 448.567 3.421 40 0 IGABMO Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556780 556799331 /nfs/dbraw/zinc/79/93/31/556799331.db2.gz XGUFEUCPETYMAY-BTYIYWSLSA-N 1 1 440.592 3.070 40 0 IGABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019587783 556823972 /nfs/dbraw/zinc/82/39/72/556823972.db2.gz KIQVMJBAZSLZHP-PGRDOPGGSA-N 1 1 445.560 3.185 40 0 IGABMO Cc1cccc2cc(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)c(=O)[nH]c12 ZINC000006443559 556836449 /nfs/dbraw/zinc/83/64/49/556836449.db2.gz DUYOSFDVNUTGHS-NRFANRHFSA-N 1 1 436.560 3.337 40 0 IGABMO Cc1cccc2cc(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)c(=O)[nH]c12 ZINC000006443559 556836454 /nfs/dbraw/zinc/83/64/54/556836454.db2.gz DUYOSFDVNUTGHS-NRFANRHFSA-N 1 1 436.560 3.337 40 0 IGABMO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)CC[NH+]2CCOCC2)n1 ZINC000019690150 556845428 /nfs/dbraw/zinc/84/54/28/556845428.db2.gz SICLQEYKYPQTFJ-HXUWFJFHSA-N 1 1 443.979 3.249 40 0 IGABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC000019697643 556855239 /nfs/dbraw/zinc/85/52/39/556855239.db2.gz VTCAJKDAZKVGFG-QGZVFWFLSA-N 1 1 426.542 3.262 40 0 IGABMO COc1cc(C)ccc1C[N@@H+](C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698746 556857706 /nfs/dbraw/zinc/85/77/06/556857706.db2.gz OEKCKEPUSWLUNW-RPWUZVMVSA-N 1 1 437.584 3.286 40 0 IGABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCC[N@H+](C3CCCCC3)C1)C2=O ZINC000019699651 556859341 /nfs/dbraw/zinc/85/93/41/556859341.db2.gz SDKHTHCJBLBOLO-NRFANRHFSA-N 1 1 438.572 3.010 40 0 IGABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccccc1F)C2 ZINC000019708524 556869324 /nfs/dbraw/zinc/86/93/24/556869324.db2.gz AHKVHEWZMDUOSO-INIZCTEOSA-N 1 1 425.552 3.329 40 0 IGABMO CC[NH+]1CCC(CC(=O)N2CCC(c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)CC2)CC1 ZINC000019744686 556891314 /nfs/dbraw/zinc/89/13/14/556891314.db2.gz AOHJSYLRXJIVTA-UHFFFAOYSA-N 1 1 438.498 3.387 40 0 IGABMO Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019752779 556896449 /nfs/dbraw/zinc/89/64/49/556896449.db2.gz PCGNUATWKMXGKL-NRFANRHFSA-N 1 1 432.572 3.479 40 0 IGABMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)ccc1OCC(N)=O ZINC000072376410 556954632 /nfs/dbraw/zinc/95/46/32/556954632.db2.gz BJSUATMUUUXYFM-LJQANCHMSA-N 1 1 448.527 3.133 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)ccc1OCC(N)=O ZINC000072376410 556954635 /nfs/dbraw/zinc/95/46/35/556954635.db2.gz BJSUATMUUUXYFM-LJQANCHMSA-N 1 1 448.527 3.133 40 0 IGABMO CN(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3CC(=O)N3CCCC3)C2)c2ccccc21 ZINC000585101727 557034818 /nfs/dbraw/zinc/03/48/18/557034818.db2.gz BRKUQDRRFCGIIP-SANMLTNESA-N 1 1 434.584 3.209 40 0 IGABMO CN(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3CC(=O)N3CCCC3)C2)c2ccccc21 ZINC000585101727 557034820 /nfs/dbraw/zinc/03/48/20/557034820.db2.gz BRKUQDRRFCGIIP-SANMLTNESA-N 1 1 434.584 3.209 40 0 IGABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000585103443 557037109 /nfs/dbraw/zinc/03/71/09/557037109.db2.gz GKNSBYWXHUGOPM-OAQYLSRUSA-N 1 1 429.586 3.082 40 0 IGABMO COc1ccc(N2C[C@H](C(=O)N3CCCC4=C[C@@H]5C[C@@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)CC2=O)cc1 ZINC000409413546 557109463 /nfs/dbraw/zinc/10/94/63/557109463.db2.gz CCDXVWLCRJJTAC-RADPCLAWSA-N 1 1 449.595 3.470 40 0 IGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000216357883 557144057 /nfs/dbraw/zinc/14/40/57/557144057.db2.gz UDQWAVQRPJCHLA-HSZRJFAPSA-N 1 1 449.661 3.308 40 0 IGABMO CC(C)n1c2cc(C(=O)NCCC[NH+]3CCOCC3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096037389 557164453 /nfs/dbraw/zinc/16/44/53/557164453.db2.gz VVSSFNCKZOTFIH-UHFFFAOYSA-N 1 1 439.560 3.159 40 0 IGABMO O=C(NCCC[NH+]1CCOCC1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038159 557165791 /nfs/dbraw/zinc/16/57/91/557165791.db2.gz SDEYFSPZSVZMCF-UHFFFAOYSA-N 1 1 447.514 3.383 40 0 IGABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)NCc2cccc(F)c2)CC3)C1=O ZINC000096262785 557190255 /nfs/dbraw/zinc/19/02/55/557190255.db2.gz YBHOGHBPNRPBTJ-RUZDIDTESA-N 1 1 444.595 3.328 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1 ZINC000585262121 557200898 /nfs/dbraw/zinc/20/08/98/557200898.db2.gz YCPXACBJFYWUSL-UMFSSWHCSA-N 1 1 448.567 3.328 40 0 IGABMO Cc1nccn1CCCOc1cccc(C[N@H+]2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)c1 ZINC000585292376 557230296 /nfs/dbraw/zinc/23/02/96/557230296.db2.gz IIRLFQLBIPQVEZ-UBFVSLLYSA-N 1 1 439.531 3.121 40 0 IGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(OCC2(O)CCCCC2)cc1 ZINC000585292196 557230403 /nfs/dbraw/zinc/23/04/03/557230403.db2.gz FTTVEGKVGNPYBZ-WXFUMESZSA-N 1 1 429.532 3.221 40 0 IGABMO CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)CC1 ZINC000100238855 557254305 /nfs/dbraw/zinc/25/43/05/557254305.db2.gz RALVANCGTIJBAH-GGPKGHCWSA-N 1 1 442.604 3.394 40 0 IGABMO Cc1occc1-c1nnc(SCC(=O)N2CCCCCC2)n1CCC[NH+]1CCOCC1 ZINC000013512512 557333593 /nfs/dbraw/zinc/33/35/93/557333593.db2.gz NAQBKCKYWKEUGP-UHFFFAOYSA-N 1 1 447.605 3.064 40 0 IGABMO CCCn1c2ccc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)cc2sc1=O ZINC000225728814 557769781 /nfs/dbraw/zinc/76/97/81/557769781.db2.gz DOTZYSSWBDBTQX-UHFFFAOYSA-N 1 1 442.566 3.446 40 0 IGABMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028383486 563054159 /nfs/dbraw/zinc/05/41/59/563054159.db2.gz BAOQJSULMWXFRK-SFHVURJKSA-N 1 1 439.865 3.479 40 0 IGABMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028383486 563054160 /nfs/dbraw/zinc/05/41/60/563054160.db2.gz BAOQJSULMWXFRK-SFHVURJKSA-N 1 1 439.865 3.479 40 0 IGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585287667 568619275 /nfs/dbraw/zinc/61/92/75/568619275.db2.gz QQBRLQRWNNUZHR-IMRHEYAYSA-N 1 1 427.532 3.374 40 0 IGABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3ccnn3C3CCCC3)CC[C@H]21 ZINC000257210465 568669838 /nfs/dbraw/zinc/66/98/38/568669838.db2.gz BUSNKZAMOHYRLU-DNVJHFABSA-N 1 1 435.572 3.273 40 0 IGABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3ccnn3C3CCCC3)CC[C@H]21 ZINC000257210465 568669842 /nfs/dbraw/zinc/66/98/42/568669842.db2.gz BUSNKZAMOHYRLU-DNVJHFABSA-N 1 1 435.572 3.273 40 0 IGABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)c1 ZINC000257210785 568670099 /nfs/dbraw/zinc/67/00/99/568670099.db2.gz BWEIXHAWUJPJPC-FQEVSTJZSA-N 1 1 446.555 3.462 40 0 IGABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)c1 ZINC000257210785 568670103 /nfs/dbraw/zinc/67/01/03/568670103.db2.gz BWEIXHAWUJPJPC-FQEVSTJZSA-N 1 1 446.555 3.462 40 0 IGABMO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1cccc3ccccc31)CC2 ZINC000257225979 568677023 /nfs/dbraw/zinc/67/70/23/568677023.db2.gz FIRBLWVTNBWADW-UHFFFAOYSA-N 1 1 429.586 3.304 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257281901 568703135 /nfs/dbraw/zinc/70/31/35/568703135.db2.gz ORKIGTIONTZKQY-ILBGXUMGSA-N 1 1 437.540 3.424 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257281901 568703137 /nfs/dbraw/zinc/70/31/37/568703137.db2.gz ORKIGTIONTZKQY-ILBGXUMGSA-N 1 1 437.540 3.424 40 0 IGABMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(C(F)(F)F)cc1)C[N@H+]2CC(N)=O ZINC000257294059 568708548 /nfs/dbraw/zinc/70/85/48/568708548.db2.gz QSGLFFWATLKBJR-BRWVUGGUSA-N 1 1 427.467 3.216 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H](Cc3ccc4ccncc4c3)C2)cc1 ZINC000257298160 568710313 /nfs/dbraw/zinc/71/03/13/568710313.db2.gz RKKUJGOEXHFYCY-FQEVSTJZSA-N 1 1 432.524 3.323 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCOC[C@@H](Cc3ccc4ccncc4c3)C2)cc1 ZINC000257298160 568710316 /nfs/dbraw/zinc/71/03/16/568710316.db2.gz RKKUJGOEXHFYCY-FQEVSTJZSA-N 1 1 432.524 3.323 40 0 IGABMO CCc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2cccc(Cc3cccc(OC)c3)n2)C1 ZINC000257300079 568711370 /nfs/dbraw/zinc/71/13/70/568711370.db2.gz RSUDBJZLZWLZDI-HSZRJFAPSA-N 1 1 434.540 3.430 40 0 IGABMO Cc1nc2cc([C@H]3CCC[N@@H+]3CC3=CCCOC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257323060 568721299 /nfs/dbraw/zinc/72/12/99/568721299.db2.gz WIOZGCCZNGDQPF-HXUWFJFHSA-N 1 1 447.530 3.144 40 0 IGABMO Cc1nc2cc([C@H]3CCC[N@H+]3CC3=CCCOC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257323060 568721301 /nfs/dbraw/zinc/72/13/01/568721301.db2.gz WIOZGCCZNGDQPF-HXUWFJFHSA-N 1 1 447.530 3.144 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257341046 568728860 /nfs/dbraw/zinc/72/88/60/568728860.db2.gz ZIPWJHFPTDDZOB-OAQYLSRUSA-N 1 1 443.935 3.180 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257341045 568729004 /nfs/dbraw/zinc/72/90/04/568729004.db2.gz ZIPWJHFPTDDZOB-NRFANRHFSA-N 1 1 443.935 3.180 40 0 IGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccn3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306129608 568765850 /nfs/dbraw/zinc/76/58/50/568765850.db2.gz IHZVWBORQPNPJG-RDGATRHJSA-N 1 1 430.556 3.272 40 0 IGABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccccc4Cl)C[C@H]2C3)cc1 ZINC000306132479 568767407 /nfs/dbraw/zinc/76/74/07/568767407.db2.gz LKOVDSZOURIXNM-IAGOWNOFSA-N 1 1 437.931 3.497 40 0 IGABMO CCn1cc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133944 568768150 /nfs/dbraw/zinc/76/81/50/568768150.db2.gz MZUVAXBPEAOBIO-RDGATRHJSA-N 1 1 447.587 3.094 40 0 IGABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)s1 ZINC000306139008 568771090 /nfs/dbraw/zinc/77/10/90/568771090.db2.gz SNDCLJKBBGUGHF-FQEVSTJZSA-N 1 1 441.597 3.021 40 0 IGABMO Cc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140731 568771681 /nfs/dbraw/zinc/77/16/81/568771681.db2.gz VCJXPADGJDBDSR-LADGPHEKSA-N 1 1 434.565 3.244 40 0 IGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143825 568773333 /nfs/dbraw/zinc/77/33/33/568773333.db2.gz YNQANIFDPKKRRV-RCZVLFRGSA-N 1 1 430.556 3.272 40 0 IGABMO CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000306143671 568773414 /nfs/dbraw/zinc/77/34/14/568773414.db2.gz YIMZZRNANAEWEB-QHCPKHFHSA-N 1 1 425.548 3.150 40 0 IGABMO COc1ccc(N2C[C@H](C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)CC2=O)cc1 ZINC000524729085 569188437 /nfs/dbraw/zinc/18/84/37/569188437.db2.gz CCDXVWLCRJJTAC-SGBDCYFYSA-N 1 1 449.595 3.470 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000247875654 569206262 /nfs/dbraw/zinc/20/62/62/569206262.db2.gz GOBCVBYSUUZRQR-BPUDTRNYSA-N 1 1 439.556 3.347 40 0 IGABMO CCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1 ZINC000247919488 569206529 /nfs/dbraw/zinc/20/65/29/569206529.db2.gz CAWWJAGKNUFFDO-NTKDMRAZSA-N 1 1 426.561 3.242 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000247918216 569206579 /nfs/dbraw/zinc/20/65/79/569206579.db2.gz WUTHUAUABDRREL-UXHICEINSA-N 1 1 448.567 3.421 40 0 IGABMO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2nccn2C)C1 ZINC000012087426 569224743 /nfs/dbraw/zinc/22/47/43/569224743.db2.gz LGGASNQHLHUGHX-AUSIDOKSSA-N 1 1 428.508 3.288 40 0 IGABMO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](Cc2nccn2C)C1 ZINC000012087426 569224744 /nfs/dbraw/zinc/22/47/44/569224744.db2.gz LGGASNQHLHUGHX-AUSIDOKSSA-N 1 1 428.508 3.288 40 0 IGABMO O=C(C[N@H+]1CCC[C@@H](Cc2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370570 569226599 /nfs/dbraw/zinc/22/65/99/569226599.db2.gz DANDSPJTPYRIPI-XZOQPEGZSA-N 1 1 448.611 3.240 40 0 IGABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C1)OCCO2 ZINC000019698960 569327051 /nfs/dbraw/zinc/32/70/51/569327051.db2.gz YULKETIKFSJIRS-KRWDZBQOSA-N 1 1 448.523 3.335 40 0 IGABMO CC1=C[C@@H](CNC(=O)COc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030880874 291354673 /nfs/dbraw/zinc/35/46/73/291354673.db2.gz SWTQFVNKARZODO-FIXSFTCYSA-N 1 1 441.616 3.200 40 0 biogenic,in-vitro IGABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000020503535 519708062 /nfs/dbraw/zinc/70/80/62/519708062.db2.gz WCIOZHJVBGOHNL-PKOBYXMFSA-N 1 1 433.508 3.178 40 0 biogenic,in-vitro IGABMO CCCO[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182887 520272196 /nfs/dbraw/zinc/27/21/96/520272196.db2.gz MRKGOBADDWPSRZ-HSALFYBXSA-N 1 1 432.565 3.278 40 0 IGABMO CCCO[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182887 520272206 /nfs/dbraw/zinc/27/22/06/520272206.db2.gz MRKGOBADDWPSRZ-HSALFYBXSA-N 1 1 432.565 3.278 40 0 IGABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844068 526196044 /nfs/dbraw/zinc/19/60/44/526196044.db2.gz KAGCDJKHLXHNNM-HMSHQKHKSA-N 1 1 435.911 3.388 40 0 IGABMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843229 526212981 /nfs/dbraw/zinc/21/29/81/526212981.db2.gz XRGXUDGPDOIAIG-DBYOASNMSA-N 1 1 435.911 3.388 40 0 IGABMO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@@]42C=C[C@]1(OC)c1c(O)ccc(O)c12 ZINC000033749047 556567498 /nfs/dbraw/zinc/56/74/98/556567498.db2.gz QMJLOWCMXXVLQW-BIUWRGFISA-N 1 1 433.504 3.119 40 0 biogenic,in-vitro IGABMO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@@]42C=C[C@]1(OC)c1c(O)ccc(O)c12 ZINC000033749047 556567500 /nfs/dbraw/zinc/56/75/00/556567500.db2.gz QMJLOWCMXXVLQW-BIUWRGFISA-N 1 1 433.504 3.119 40 0 biogenic,in-vitro IGABMO Cc1cc(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1CCC[NH+]1CCOCC1 ZINC000016790289 556642756 /nfs/dbraw/zinc/64/27/56/556642756.db2.gz HNFFESOQSZGLDL-UHFFFAOYSA-N 1 1 440.327 3.144 40 0 IGABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCc2cccc3c2OCO3)CC1 ZINC000257315609 556703823 /nfs/dbraw/zinc/70/38/23/556703823.db2.gz VCDIEMSLTUYMIH-DEOSSOPVSA-N 1 1 444.503 3.121 40 0 IGABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(OC(F)F)cc1 ZINC000257237407 556710106 /nfs/dbraw/zinc/71/01/06/556710106.db2.gz HGIFHTFUFGCTIY-URXFXBBRSA-N 1 1 445.510 3.328 40 0 IGABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CCN1Cc1ccccc1 ZINC000257288314 556716031 /nfs/dbraw/zinc/71/60/31/556716031.db2.gz PTSOXRNQWIHVHQ-XMMPIXPASA-N 1 1 430.552 3.093 40 0 IGABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CCN1Cc1ccccc1 ZINC000257288314 556716032 /nfs/dbraw/zinc/71/60/32/556716032.db2.gz PTSOXRNQWIHVHQ-XMMPIXPASA-N 1 1 430.552 3.093 40 0 IGABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](C[C@H]4CC=CCC4)C3)nc2C1 ZINC000019347689 556743593 /nfs/dbraw/zinc/74/35/93/556743593.db2.gz DSJRLLXGMSUEIF-ROUUACIJSA-N 1 1 436.531 3.253 40 0 IGABMO O=C(Cc1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019348049 556743723 /nfs/dbraw/zinc/74/37/23/556743723.db2.gz LSHLHBLACLNXNC-SFHVURJKSA-N 1 1 438.547 3.158 40 0 IGABMO COc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[nH]3)C[N@H+](C(C)C)CC4)[nH]c2c1 ZINC000019448169 556757496 /nfs/dbraw/zinc/75/74/96/556757496.db2.gz ZVKWKVYTNHLGJM-QFIPXVFZSA-N 1 1 449.555 3.394 40 0 IGABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)nc2C1 ZINC000019448421 556757899 /nfs/dbraw/zinc/75/78/99/556757899.db2.gz KNMBFSVFPNUKTE-SFHVURJKSA-N 1 1 436.965 3.128 40 0 IGABMO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000096402884 556760457 /nfs/dbraw/zinc/76/04/57/556760457.db2.gz QJSXYMDBXXURBE-PIXQIBFHSA-N 1 1 429.520 3.149 40 0 IGABMO C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019496355 556769198 /nfs/dbraw/zinc/76/91/98/556769198.db2.gz NJMOLRQUPLKFOP-CQSZACIVSA-N 1 1 432.450 3.301 40 0 IGABMO CCN1CC[N@H+](Cc2c(C)nn(C)c2OC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527705 556786981 /nfs/dbraw/zinc/78/69/81/556786981.db2.gz PUXDWOBUKPYSDS-QFIPXVFZSA-N 1 1 447.583 3.322 40 0 IGABMO CCN1CC[N@@H+](Cc2c(C)nn(C)c2OC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527705 556786984 /nfs/dbraw/zinc/78/69/84/556786984.db2.gz PUXDWOBUKPYSDS-QFIPXVFZSA-N 1 1 447.583 3.322 40 0 IGABMO COc1ccc(C[N@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)cc1CO ZINC000019559376 556801232 /nfs/dbraw/zinc/80/12/32/556801232.db2.gz CKYDJTGNPSMCAP-XUZZJYLKSA-N 1 1 430.495 3.494 40 0 IGABMO COc1cccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C3CCCC3)CC4)C2)c1 ZINC000019564082 556804817 /nfs/dbraw/zinc/80/48/17/556804817.db2.gz DZHQLQYYACFZKO-GOSISDBHSA-N 1 1 436.556 3.050 40 0 IGABMO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)ccc1F ZINC000019570776 556811140 /nfs/dbraw/zinc/81/11/40/556811140.db2.gz KJBPVTALNJDOMI-HXUWFJFHSA-N 1 1 448.564 3.312 40 0 IGABMO COCC[N@H+]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1 ZINC000019593386 556829785 /nfs/dbraw/zinc/82/97/85/556829785.db2.gz GBSKZWCFBODMNI-DEOSSOPVSA-N 1 1 438.568 3.319 40 0 IGABMO CC(=O)NCc1ccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698687 556857740 /nfs/dbraw/zinc/85/77/40/556857740.db2.gz IIUMXNKHGIUMHJ-RPWUZVMVSA-N 1 1 445.567 3.017 40 0 IGABMO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CC[N@H+](C)C2 ZINC000019708478 556869190 /nfs/dbraw/zinc/86/91/90/556869190.db2.gz ANFSCKGEDDYRED-QGZVFWFLSA-N 1 1 435.981 3.076 40 0 IGABMO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CC[N@@H+](C)C2 ZINC000019708478 556869196 /nfs/dbraw/zinc/86/91/96/556869196.db2.gz ANFSCKGEDDYRED-QGZVFWFLSA-N 1 1 435.981 3.076 40 0 IGABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2 ZINC000019708500 556869343 /nfs/dbraw/zinc/86/93/43/556869343.db2.gz UHDCOBZUDXEWBS-KRWDZBQOSA-N 1 1 437.588 3.199 40 0 IGABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741332 556883432 /nfs/dbraw/zinc/88/34/32/556883432.db2.gz IVSFGDQCUOMGLC-HXUWFJFHSA-N 1 1 430.556 3.378 40 0 IGABMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccnn3C)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741332 556883435 /nfs/dbraw/zinc/88/34/35/556883435.db2.gz IVSFGDQCUOMGLC-HXUWFJFHSA-N 1 1 430.556 3.378 40 0 IGABMO COc1ccccc1CN1C(=O)Cc2c1nc([C@@H]1CCC[N@H+](C3CCOCC3)C1)nc2C ZINC000019743902 556889130 /nfs/dbraw/zinc/88/91/30/556889130.db2.gz VMXPAOWGPUGOSU-LJQANCHMSA-N 1 1 436.556 3.241 40 0 IGABMO COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000019756453 556900232 /nfs/dbraw/zinc/90/02/32/556900232.db2.gz ADIWXCGBUCIGQV-UHFFFAOYSA-N 1 1 448.571 3.225 40 0 IGABMO Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370558 556935399 /nfs/dbraw/zinc/93/53/99/556935399.db2.gz PHUZZIDTSLXDMG-SFHVURJKSA-N 1 1 426.586 3.263 40 0 IGABMO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000072398788 556970639 /nfs/dbraw/zinc/97/06/39/556970639.db2.gz XGUFEUCPETYMAY-VFNWGFHPSA-N 1 1 440.592 3.070 40 0 IGABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000409263756 557041029 /nfs/dbraw/zinc/04/10/29/557041029.db2.gz OBBMAWZNZLWDTE-UHFFFAOYSA-N 1 1 435.977 3.008 40 0 IGABMO O=C(Cc1ccccn1)NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12 ZINC000585110197 557042992 /nfs/dbraw/zinc/04/29/92/557042992.db2.gz VZNNPWRLIUMPMJ-DNQXCXABSA-N 1 1 440.547 3.434 40 0 IGABMO O=C(Cc1ccccn1)NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12 ZINC000585110198 557043170 /nfs/dbraw/zinc/04/31/70/557043170.db2.gz VZNNPWRLIUMPMJ-RPWUZVMVSA-N 1 1 440.547 3.434 40 0 IGABMO Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@H](C)OC(=O)[C@H](C)[NH3+])c(C)c34)c2F)[nH]1 ZINC000083292952 557086120 /nfs/dbraw/zinc/08/61/20/557086120.db2.gz LTEJRLHKIYCEOX-JSGCOSHPSA-N 1 1 441.463 3.417 40 0 in-vitro IGABMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101506749 557124463 /nfs/dbraw/zinc/12/44/63/557124463.db2.gz XRIBIFLLYHAMCH-SCTDSRPQSA-N 1 1 442.025 3.025 40 0 IGABMO COc1ccc(NC(=O)c2ccc3nnc([C@H]4C[N@@H+](CC5CC5)CCN4C(C)C)n3c2)cc1 ZINC000096156812 557182253 /nfs/dbraw/zinc/18/22/53/557182253.db2.gz XACIEJSEPBGRLI-JOCHJYFZSA-N 1 1 448.571 3.467 40 0 IGABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)NC4CCCC4)CC3)c3ccccc32)CC1 ZINC000096242270 557186380 /nfs/dbraw/zinc/18/63/80/557186380.db2.gz HGLDLDJRUATVAN-FQEVSTJZSA-N 1 1 438.616 3.324 40 0 IGABMO Cc1ccc(C[N@H+]2Cc3ccccc3C3(CCN(S(=O)(=O)N(C)C)CC3)C2)cc1C ZINC000096242514 557186520 /nfs/dbraw/zinc/18/65/20/557186520.db2.gz URUPRIHLFKSBHX-UHFFFAOYSA-N 1 1 427.614 3.459 40 0 IGABMO CC(=O)N[C@]12CN(CC(=O)Nc3cccc(C)c3C)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000585262119 557200955 /nfs/dbraw/zinc/20/09/55/557200955.db2.gz SXQQXRUAMXANPP-DNRSQYFGSA-N 1 1 434.584 3.125 40 0 IGABMO COc1cccc(N2CCC(O)(C[N@H+]3CCCC[C@@H]4N(C(C)=O)CCC[C@@]43C)CC2)c1 ZINC000585263034 557203143 /nfs/dbraw/zinc/20/31/43/557203143.db2.gz WLWNEFFHZAVDFQ-ZEQRLZLVSA-N 1 1 429.605 3.282 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)ccc1OCCn1cccn1 ZINC000585271888 557216632 /nfs/dbraw/zinc/21/66/32/557216632.db2.gz PTXRWCLIPKZFSU-RUZDIDTESA-N 1 1 437.540 3.377 40 0 IGABMO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCC3)C4)C2)CC1 ZINC000100238820 557254185 /nfs/dbraw/zinc/25/41/85/557254185.db2.gz RVARIKQFKGPQMK-JENIJYKNSA-N 1 1 428.577 3.004 40 0 IGABMO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000057774130 557264025 /nfs/dbraw/zinc/26/40/25/557264025.db2.gz YDBCOGUFWMEXNP-FDDCHVKYSA-N 1 1 427.545 3.205 40 0 IGABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000100657985 557267833 /nfs/dbraw/zinc/26/78/33/557267833.db2.gz WWOOCADTIXBFCG-HDICACEKSA-N 1 1 443.613 3.373 40 0 IGABMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@@H](N5CCOCC5)C[C@@]43C)[C@@H]1C[C@@H]([N@H+]1C=CCC1)[C@H]2O ZINC000118912965 557404985 /nfs/dbraw/zinc/40/49/85/557404985.db2.gz HONJGNADBNVCIU-MWSXYHNUSA-N 1 1 444.660 3.260 40 0 IGABMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@@H](N5CCOCC5)C[C@@]43C)[C@@H]1C[C@@H]([N@@H+]1C=CCC1)[C@H]2O ZINC000118912965 557404988 /nfs/dbraw/zinc/40/49/88/557404988.db2.gz HONJGNADBNVCIU-MWSXYHNUSA-N 1 1 444.660 3.260 40 0 IGABMO O=c1[nH]c2ccc(S(=O)(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)cc2o1 ZINC000223028869 557417588 /nfs/dbraw/zinc/41/75/88/557417588.db2.gz KBQWHXLWPLBBAQ-UHFFFAOYSA-N 1 1 432.889 3.103 40 0 IGABMO CCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019823768 557508265 /nfs/dbraw/zinc/50/82/65/557508265.db2.gz DYHKCELJWSXBSC-UHFFFAOYSA-N 1 1 430.618 3.035 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000225457499 557725035 /nfs/dbraw/zinc/72/50/35/557725035.db2.gz CSQIHVBIZDKVFW-UHFFFAOYSA-N 1 1 429.571 3.063 40 0 IGABMO COC(=O)CSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)s1 ZINC000225469113 557726283 /nfs/dbraw/zinc/72/62/83/557726283.db2.gz LMHRXNAFIUCJLU-CYBMUJFWSA-N 1 1 440.978 3.307 40 0 IGABMO COC(=O)CSc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)s1 ZINC000225469113 557726284 /nfs/dbraw/zinc/72/62/84/557726284.db2.gz LMHRXNAFIUCJLU-CYBMUJFWSA-N 1 1 440.978 3.307 40 0 IGABMO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000225904892 557790089 /nfs/dbraw/zinc/79/00/89/557790089.db2.gz YIUSQWMNGBQVMW-QGZVFWFLSA-N 1 1 435.977 3.407 40 0 IGABMO Cc1nc2cc([C@@H]3CCC[N@@H+]3CC3=CCCOC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257208262 568668882 /nfs/dbraw/zinc/66/88/82/568668882.db2.gz BLJKVZUKDULMTI-QHCPKHFHSA-N 1 1 437.588 3.289 40 0 IGABMO Cc1nc2cc([C@@H]3CCC[N@H+]3CC3=CCCOC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257208262 568668883 /nfs/dbraw/zinc/66/88/83/568668883.db2.gz BLJKVZUKDULMTI-QHCPKHFHSA-N 1 1 437.588 3.289 40 0 IGABMO CCc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)[N@@H+](C)C[C@]3(NC(C)=O)C2)cc1 ZINC000257232115 568680153 /nfs/dbraw/zinc/68/01/53/568680153.db2.gz GJMAJMWXYLNAEH-ARMFNRFLSA-N 1 1 434.584 3.071 40 0 IGABMO O=C1NCCNC(=O)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C/C=C/COc2ccccc21 ZINC000257254245 568690328 /nfs/dbraw/zinc/69/03/28/568690328.db2.gz KCHZJLJQGQJIDP-HFPKFUSDSA-N 1 1 433.552 3.154 40 0 IGABMO Cc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257308864 568714799 /nfs/dbraw/zinc/71/47/99/568714799.db2.gz TYNOTWDWCRYKCK-UPVQGACJSA-N 1 1 435.568 3.069 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257318465 568719519 /nfs/dbraw/zinc/71/95/19/568719519.db2.gz VOBBKEFOZIKUSX-OAQYLSRUSA-N 1 1 443.935 3.180 40 0 IGABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306127993 568764988 /nfs/dbraw/zinc/76/49/88/568764988.db2.gz GNJSCTVBBOXUFC-NOZRDPDXSA-N 1 1 432.499 3.013 40 0 IGABMO O=C(NC1CCCC1)c1nnc2n1C[C@@]1(CC[N@@H+](Cc3ccc4ccccc4c3)C1)OC2 ZINC000306131289 568766780 /nfs/dbraw/zinc/76/67/80/568766780.db2.gz KAFNKQIPNZZDBW-VWLOTQADSA-N 1 1 431.540 3.279 40 0 IGABMO Cc1cc(C)cc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133391 568767991 /nfs/dbraw/zinc/76/79/91/568767991.db2.gz MKBKOLOQFVZTGD-XNMGPUDCSA-N 1 1 442.563 3.491 40 0 IGABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136250 568769499 /nfs/dbraw/zinc/76/94/99/568769499.db2.gz POCBJZOMCURPJB-VPUSJEBWSA-N 1 1 443.547 3.487 40 0 IGABMO Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CC[NH+](Cc4cccc(F)c4)CC3)O2)cc1 ZINC000306138879 568770963 /nfs/dbraw/zinc/77/09/63/568770963.db2.gz SJYFJPKRHWFMJC-QHCPKHFHSA-N 1 1 425.548 3.116 40 0 IGABMO Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344201 568782178 /nfs/dbraw/zinc/78/21/78/568782178.db2.gz INMYNIWXRXBYHO-PLOUGOBLSA-N 1 1 435.911 3.388 40 0 IGABMO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000016779379 568893935 /nfs/dbraw/zinc/89/39/35/568893935.db2.gz DDGMWDAMBFEPOO-GOSISDBHSA-N 1 1 440.462 3.285 40 0 IGABMO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)c(C)n1C[C@@H]1CCCO1 ZINC000222017935 568906914 /nfs/dbraw/zinc/90/69/14/568906914.db2.gz UPPWSZJSZAHBDR-UTKZUKDTSA-N 1 1 439.604 3.162 40 0 IGABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1ccccc1Br ZINC000247744035 569206050 /nfs/dbraw/zinc/20/60/50/569206050.db2.gz PMJGUTVOQYSQGE-UHFFFAOYSA-N 1 1 446.345 3.154 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000248154912 569207414 /nfs/dbraw/zinc/20/74/14/569207414.db2.gz YOPAFSIOMFULCR-QUCCMNQESA-N 1 1 448.567 3.421 40 0 IGABMO CCc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2OC)cc1 ZINC000008086129 569218933 /nfs/dbraw/zinc/21/89/33/569218933.db2.gz BCPOZFZQBMCXFM-UHFFFAOYSA-N 1 1 427.570 3.198 40 0 IGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000019086071 569226196 /nfs/dbraw/zinc/22/61/96/569226196.db2.gz QSCZLDJPSQOILF-BVAGGSTKSA-N 1 1 438.568 3.257 40 0 IGABMO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019530087 569226785 /nfs/dbraw/zinc/22/67/85/569226785.db2.gz IGHUZOYNVWEOHN-OFNKIYASSA-N 1 1 428.508 3.288 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000019560947 569227055 /nfs/dbraw/zinc/22/70/55/569227055.db2.gz GOBCVBYSUUZRQR-NGYIFUPDSA-N 1 1 439.556 3.347 40 0 IGABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019702028 569231686 /nfs/dbraw/zinc/23/16/86/569231686.db2.gz RLSUQYISAMUFDK-INIZCTEOSA-N 1 1 436.585 3.378 40 0 IGABMO CC(C)c1ncc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cn1 ZINC000019702587 569232174 /nfs/dbraw/zinc/23/21/74/569232174.db2.gz FXTKRZMZAOQDNH-KRWDZBQOSA-N 1 1 439.585 3.264 40 0 IGABMO Cc1nc([C@@H]2CC[N@H+](Cc3cc4ccccc4nc3N(C)C)C2)nc2c1CCC(=O)N2C ZINC000019738805 569236042 /nfs/dbraw/zinc/23/60/42/569236042.db2.gz ZEPWGIOEJYITQX-GOSISDBHSA-N 1 1 430.556 3.298 40 0 IGABMO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000019739048 569236454 /nfs/dbraw/zinc/23/64/54/569236454.db2.gz QMBCJRSMUHJDHV-XMMPIXPASA-N 1 1 430.593 3.058 40 0 IGABMO CN(CCO)C(=O)c1cc([C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc21 ZINC000019754319 569328532 /nfs/dbraw/zinc/32/85/32/569328532.db2.gz CLIDPWYAGRZINS-RUZDIDTESA-N 1 1 444.535 3.354 40 0 IGABMO CN(CCO)C(=O)c1cc([C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc21 ZINC000019754319 569328534 /nfs/dbraw/zinc/32/85/34/569328534.db2.gz CLIDPWYAGRZINS-RUZDIDTESA-N 1 1 444.535 3.354 40 0 IGABMO C[C@H](Cc1ccccn1)[N@@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012089135 556401829 /nfs/dbraw/zinc/40/18/29/556401829.db2.gz XXEGXLBIZPKESF-TYCQWZJGSA-N 1 1 439.560 3.345 40 0 IGABMO CCOC(=O)C(C(=O)OCC)[C@@H](c1ccc(OC)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000031659655 556525116 /nfs/dbraw/zinc/52/51/16/556525116.db2.gz QRFTWSHQQZLCBV-HSZRJFAPSA-N 1 1 440.540 3.301 40 0 IGABMO Cc1cc(C)nc(N2CCC[C@@H](c3nc(N4CC[NH+](C)CC4)ncc3-c3cccnc3)C2)n1 ZINC000019118768 556700545 /nfs/dbraw/zinc/70/05/45/556700545.db2.gz UYZAIBSQZUMPPJ-OAQYLSRUSA-N 1 1 444.587 3.081 40 0 IGABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(OC)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285503 556727464 /nfs/dbraw/zinc/72/74/64/556727464.db2.gz XNZKBMGSJQETPZ-LEWJYISDSA-N 1 1 435.524 3.487 40 0 IGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000019334083 556737982 /nfs/dbraw/zinc/73/79/82/556737982.db2.gz MOJHCVBBIUUXPT-QFIPXVFZSA-N 1 1 436.535 3.409 40 0 IGABMO O=C(NCc1ccccn1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372476 556749136 /nfs/dbraw/zinc/74/91/36/556749136.db2.gz KYPXDSMBEWETSX-GOTSBHOMSA-N 1 1 442.567 3.004 40 0 IGABMO O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019400162 556752852 /nfs/dbraw/zinc/75/28/52/556752852.db2.gz JEWDLFQPJHRDLS-HXUWFJFHSA-N 1 1 435.553 3.152 40 0 IGABMO CC(C)c1nccn1CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000019454443 556764680 /nfs/dbraw/zinc/76/46/80/556764680.db2.gz ULCIVJVRXKFBIK-NRFANRHFSA-N 1 1 428.552 3.164 40 0 IGABMO CC(C)c1nccn1CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000019454443 556764682 /nfs/dbraw/zinc/76/46/82/556764682.db2.gz ULCIVJVRXKFBIK-NRFANRHFSA-N 1 1 428.552 3.164 40 0 IGABMO CCc1onc(C)c1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019521150 556778079 /nfs/dbraw/zinc/77/80/79/556778079.db2.gz HIXXLMNGUSSREI-UHFFFAOYSA-N 1 1 425.508 3.479 40 0 IGABMO CCN1CC[N@H+](Cc2c(C)nn(C)c2OC)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527444 556785837 /nfs/dbraw/zinc/78/58/37/556785837.db2.gz JSQOBWIEOHJLDK-HSZRJFAPSA-N 1 1 447.583 3.322 40 0 IGABMO CCN1CC[N@@H+](Cc2c(C)nn(C)c2OC)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527444 556785841 /nfs/dbraw/zinc/78/58/41/556785841.db2.gz JSQOBWIEOHJLDK-HSZRJFAPSA-N 1 1 447.583 3.322 40 0 IGABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019530083 556791293 /nfs/dbraw/zinc/79/12/93/556791293.db2.gz IGHUZOYNVWEOHN-REWPJTCUSA-N 1 1 428.508 3.288 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1 ZINC000019555251 556798408 /nfs/dbraw/zinc/79/84/08/556798408.db2.gz NGKKMGPGQAYMMI-QHCPKHFHSA-N 1 1 448.571 3.278 40 0 IGABMO COc1cccc([C@@H]2C[N@@H+](Cc3cnc(N4CCCCC4)nc3)C[C@]23CCCC(=O)N3)c1 ZINC000019566071 556806588 /nfs/dbraw/zinc/80/65/88/556806588.db2.gz NLNMWKMLQTWDDW-WIOPSUGQSA-N 1 1 435.572 3.114 40 0 IGABMO COc1ccccc1OCC(=O)N1CCC(O)(C[N@H+]2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019571363 556811679 /nfs/dbraw/zinc/81/16/79/556811679.db2.gz XJGTYPLHZATFLP-OAQYLSRUSA-N 1 1 439.556 3.050 40 0 IGABMO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000006408475 556834753 /nfs/dbraw/zinc/83/47/53/556834753.db2.gz PVPNVDOBNJDTHI-NRFANRHFSA-N 1 1 436.560 3.337 40 0 IGABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000006408475 556834756 /nfs/dbraw/zinc/83/47/56/556834756.db2.gz PVPNVDOBNJDTHI-NRFANRHFSA-N 1 1 436.560 3.337 40 0 IGABMO Cc1nc(C[N@@H+](C)C2CCOCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698418 556856715 /nfs/dbraw/zinc/85/67/15/556856715.db2.gz ASYFIVHDKQKBTN-UHFFFAOYSA-N 1 1 433.556 3.399 40 0 IGABMO Cc1nc(C[N@H+](C)C2CCOCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698418 556856718 /nfs/dbraw/zinc/85/67/18/556856718.db2.gz ASYFIVHDKQKBTN-UHFFFAOYSA-N 1 1 433.556 3.399 40 0 IGABMO CC(=O)NCc1ccc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698778 556858102 /nfs/dbraw/zinc/85/81/02/556858102.db2.gz AVEOKFCJAYYTAE-RPWUZVMVSA-N 1 1 430.552 3.175 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(=O)CCN3CCCc4ccccc43)C2)nc2c1CC[N@H+](C)C2 ZINC000019708794 556870289 /nfs/dbraw/zinc/87/02/89/556870289.db2.gz PHSUIDJOJIHQHB-HXUWFJFHSA-N 1 1 448.615 3.055 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(=O)CCN3CCCc4ccccc43)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708794 556870292 /nfs/dbraw/zinc/87/02/92/556870292.db2.gz PHSUIDJOJIHQHB-HXUWFJFHSA-N 1 1 448.615 3.055 40 0 IGABMO CNc1nc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)nc2c1CC[N@H+](C)C2 ZINC000019752873 556896548 /nfs/dbraw/zinc/89/65/48/556896548.db2.gz TVDCRMKXIGKZBB-LJQANCHMSA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)nc2c1CC[N@@H+](C)C2 ZINC000019752873 556896551 /nfs/dbraw/zinc/89/65/51/556896551.db2.gz TVDCRMKXIGKZBB-LJQANCHMSA-N 1 1 436.491 3.278 40 0 IGABMO NC(=O)c1cc([C@@H]2CCN(C(=O)C3C[NH+](Cc4ccc(Cl)cc4)C3)C2)nc2ccccc21 ZINC000019756864 556900832 /nfs/dbraw/zinc/90/08/32/556900832.db2.gz ZBZHMAABCCNWCG-QGZVFWFLSA-N 1 1 448.954 3.435 40 0 IGABMO Cc1nc(N)cc(CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3cccc(F)c3)CC2)n1 ZINC000019758794 556902301 /nfs/dbraw/zinc/90/23/01/556902301.db2.gz FQJAHXYRODWKMK-JOCHJYFZSA-N 1 1 425.552 3.342 40 0 IGABMO Cc1nc(N)cc(CC2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3cccc(F)c3)CC2)n1 ZINC000019758794 556902305 /nfs/dbraw/zinc/90/23/05/556902305.db2.gz FQJAHXYRODWKMK-JOCHJYFZSA-N 1 1 425.552 3.342 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c1F ZINC000072330583 556906718 /nfs/dbraw/zinc/90/67/18/556906718.db2.gz ROFWNZLTZRLYSD-JZWVFAODSA-N 1 1 427.520 3.478 40 0 IGABMO COc1c(C[N@@H+]2CCC[C@@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)c(C)nn1C ZINC000019765396 556909951 /nfs/dbraw/zinc/90/99/51/556909951.db2.gz VRSBIOFBTFCWRF-HXUWFJFHSA-N 1 1 448.571 3.145 40 0 IGABMO COc1c(C[N@H+]2CCC[C@@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)c(C)nn1C ZINC000019765396 556909953 /nfs/dbraw/zinc/90/99/53/556909953.db2.gz VRSBIOFBTFCWRF-HXUWFJFHSA-N 1 1 448.571 3.145 40 0 IGABMO Cc1cc(Cc2ccccc2C)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072353926 556928599 /nfs/dbraw/zinc/92/85/99/556928599.db2.gz WCOOAUVHVJNTMG-XMMPIXPASA-N 1 1 448.611 3.193 40 0 IGABMO COc1ccc(S(=O)(=O)N2CC[N@H+](C3CCCC3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072355127 556930209 /nfs/dbraw/zinc/93/02/09/556930209.db2.gz GEENOBRZYYCQIB-IBGZPJMESA-N 1 1 429.586 3.198 40 0 IGABMO O=C(C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCOCC1 ZINC000072359383 556932351 /nfs/dbraw/zinc/93/23/51/556932351.db2.gz NUIHJRBFQSATNE-KRWDZBQOSA-N 1 1 434.462 3.201 40 0 IGABMO O=C(C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCOCC1 ZINC000072359383 556932356 /nfs/dbraw/zinc/93/23/56/556932356.db2.gz NUIHJRBFQSATNE-KRWDZBQOSA-N 1 1 434.462 3.201 40 0 IGABMO O=C(C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1)N1CCCC1 ZINC000072371238 556937928 /nfs/dbraw/zinc/93/79/28/556937928.db2.gz GMKMCJAIOGZAOU-INIZCTEOSA-N 1 1 436.478 3.462 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCCC1 ZINC000072371238 556937932 /nfs/dbraw/zinc/93/79/32/556937932.db2.gz GMKMCJAIOGZAOU-INIZCTEOSA-N 1 1 436.478 3.462 40 0 IGABMO O=C(C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCCC1 ZINC000072371238 556937933 /nfs/dbraw/zinc/93/79/33/556937933.db2.gz GMKMCJAIOGZAOU-INIZCTEOSA-N 1 1 436.478 3.462 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccccc1 ZINC000072371915 556941309 /nfs/dbraw/zinc/94/13/09/556941309.db2.gz IPLVSDKXHUYWBJ-OAQYLSRUSA-N 1 1 444.539 3.133 40 0 IGABMO CC(=O)N1CCc2c(nc([C@@H]3CCC[N@@H+](C)C3)nc2N(C)Cc2ccc3ncccc3c2)C1 ZINC000072376534 556955117 /nfs/dbraw/zinc/95/51/17/556955117.db2.gz OEPFLLYQJRVGOL-OAQYLSRUSA-N 1 1 444.583 3.375 40 0 IGABMO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)n1 ZINC000257236622 556985101 /nfs/dbraw/zinc/98/51/01/556985101.db2.gz HCZTWEIENMXBHP-NHCUHLMSSA-N 1 1 436.604 3.468 40 0 IGABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409241355 557031553 /nfs/dbraw/zinc/03/15/53/557031553.db2.gz RQJOEOCOIZMCGR-UHFFFAOYSA-N 1 1 433.961 3.289 40 0 IGABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)c1 ZINC000585105113 557037859 /nfs/dbraw/zinc/03/78/59/557037859.db2.gz YKFPMNGPALMMEE-QHCPKHFHSA-N 1 1 439.556 3.242 40 0 IGABMO Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@@H+](CC5CCCC5)C[C@@H]34)CC2)cc1 ZINC000585106302 557039929 /nfs/dbraw/zinc/03/99/29/557039929.db2.gz PLSOMALGGPWAOB-PKTZIBPZSA-N 1 1 435.612 3.256 40 0 IGABMO O=C(Cc1ccccn1)NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12 ZINC000585110199 557043055 /nfs/dbraw/zinc/04/30/55/557043055.db2.gz VZNNPWRLIUMPMJ-ZEQRLZLVSA-N 1 1 440.547 3.434 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000216330207 557143365 /nfs/dbraw/zinc/14/33/65/557143365.db2.gz CMUQUZKMPSUPMY-UHFFFAOYSA-N 1 1 446.960 3.225 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000216357929 557144339 /nfs/dbraw/zinc/14/43/39/557144339.db2.gz UDQWAVQRPJCHLA-QHCPKHFHSA-N 1 1 449.661 3.308 40 0 IGABMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)Nc1ccccc1C)CC2 ZINC000096143631 557170418 /nfs/dbraw/zinc/17/04/18/557170418.db2.gz UESULOFLQTZAGT-FCHUYYIVSA-N 1 1 447.583 3.367 40 0 IGABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)Cc2cccc(OC)c2)CC3)C1=O ZINC000096144080 557171646 /nfs/dbraw/zinc/17/16/46/557171646.db2.gz FQNISYAKXLZENL-AREMUKBSSA-N 1 1 441.616 3.057 40 0 IGABMO Cc1ccc(C(=O)N2CCC3(C[C@@H](CC(=O)N4CC[NH+](C)CC4)c4ccccc43)CC2)o1 ZINC000096242246 557186278 /nfs/dbraw/zinc/18/62/78/557186278.db2.gz ZVMGQBUXMWJUBL-HXUWFJFHSA-N 1 1 435.568 3.413 40 0 IGABMO Cc1cc(C)c(C)c(O[C@H]2C[N@@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)c1 ZINC000585267898 557207311 /nfs/dbraw/zinc/20/73/11/557207311.db2.gz RZEKEBZXBHTTPA-ZCYQVOJMSA-N 1 1 438.568 3.237 40 0 IGABMO O[C@H]1CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585286900 557225618 /nfs/dbraw/zinc/22/56/18/557225618.db2.gz KCBCLFPABAZCPB-IODBPXAYSA-N 1 1 447.522 3.230 40 0 IGABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000057774103 557263767 /nfs/dbraw/zinc/26/37/67/557263767.db2.gz HHGROGBGSYVBIY-DVECYGJZSA-N 1 1 427.545 3.205 40 0 IGABMO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064368 557279144 /nfs/dbraw/zinc/27/91/44/557279144.db2.gz DSLAKFKNEOXFOC-NRFANRHFSA-N 1 1 440.548 3.066 40 0 IGABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064368 557279147 /nfs/dbraw/zinc/27/91/47/557279147.db2.gz DSLAKFKNEOXFOC-NRFANRHFSA-N 1 1 440.548 3.066 40 0 IGABMO CN(C(=O)C[NH+]1CCC(NC(=O)c2ccccc2Br)CC1)C1CCCCC1 ZINC000013150632 557300868 /nfs/dbraw/zinc/30/08/68/557300868.db2.gz GZDDMTAOFOAYSO-UHFFFAOYSA-N 1 1 436.394 3.434 40 0 IGABMO Cn1c2ccc(S(=O)(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)cc2oc1=O ZINC000223031088 557418137 /nfs/dbraw/zinc/41/81/37/557418137.db2.gz SIASHVQCVKAOMI-UHFFFAOYSA-N 1 1 446.916 3.114 40 0 IGABMO CC[NH+]1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014410854 557444420 /nfs/dbraw/zinc/44/44/20/557444420.db2.gz FTYCONRJKUOKRU-UHFFFAOYSA-N 1 1 435.977 3.008 40 0 IGABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000019222105 557497998 /nfs/dbraw/zinc/49/79/98/557497998.db2.gz HYNJWPAUWWGWKJ-UHFFFAOYSA-N 1 1 448.567 3.271 40 0 IGABMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2Cl)CC1 ZINC000224241958 557579925 /nfs/dbraw/zinc/57/99/25/557579925.db2.gz BXBIQWGITLIFJA-UHFFFAOYSA-N 1 1 435.977 3.251 40 0 IGABMO CCCn1c2ccc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3C)cc2sc1=O ZINC000225728738 557769829 /nfs/dbraw/zinc/76/98/29/557769829.db2.gz YCSCFPNOYUSSHP-UHFFFAOYSA-N 1 1 442.566 3.446 40 0 IGABMO CN(c1ccc(CC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1)S(C)(=O)=O ZINC000225975799 557798495 /nfs/dbraw/zinc/79/84/95/557798495.db2.gz SAERNHHWLSXDOG-UHFFFAOYSA-N 1 1 446.960 3.055 40 0 IGABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c(OC)c1 ZINC000059294082 557819662 /nfs/dbraw/zinc/81/96/62/557819662.db2.gz LGYIDGQWVDCBNR-UHFFFAOYSA-N 1 1 448.976 3.236 40 0 IGABMO CCn1ncc(-c2ccnc3cc(C(=O)N4CC[NH+](Cc5ccccc5C)CC4)nn32)c1C ZINC000019638691 568625027 /nfs/dbraw/zinc/62/50/27/568625027.db2.gz ZVEBHJGWMCOGAD-UHFFFAOYSA-N 1 1 443.555 3.188 40 0 IGABMO CCc1[nH+]ccn1CC(=O)N1[C@@H]2CCC[C@@H]3N(C(C)=O)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257223298 568675745 /nfs/dbraw/zinc/67/57/45/568675745.db2.gz DWTLBEBJPFBUBP-ULKMUXEJSA-N 1 1 434.584 3.447 40 0 IGABMO Cc1ccc(=O)n(CC(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)n1 ZINC000257225118 568676675 /nfs/dbraw/zinc/67/66/75/568676675.db2.gz FEXGUISHTMNMDQ-AALNHBIMSA-N 1 1 434.584 3.027 40 0 IGABMO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC(=O)Nc3ccc4[nH]c(C)nc4c3)CC[C@H]21 ZINC000257226023 568676974 /nfs/dbraw/zinc/67/69/74/568676974.db2.gz FIUMOWBMKDZOBO-PQNGQFLHSA-N 1 1 449.530 3.285 40 0 IGABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1c(C)cc(OC)c(C)c1C)CC2 ZINC000257251523 568689334 /nfs/dbraw/zinc/68/93/34/568689334.db2.gz JRCDHFRKULQFMR-LJQANCHMSA-N 1 1 437.588 3.346 40 0 IGABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1c(C)cc(OC)c(C)c1C)CC2 ZINC000257251523 568689338 /nfs/dbraw/zinc/68/93/38/568689338.db2.gz JRCDHFRKULQFMR-LJQANCHMSA-N 1 1 437.588 3.346 40 0 IGABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)N1CCSc2ccccc21 ZINC000257256928 568691730 /nfs/dbraw/zinc/69/17/30/568691730.db2.gz KNKUSRYCMBFWAE-ZCYQVOJMSA-N 1 1 437.609 3.227 40 0 IGABMO O=C1O[C@@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccnc(N3CCCC3)n1)CC2 ZINC000257266551 568696050 /nfs/dbraw/zinc/69/60/50/568696050.db2.gz MDMAYYXOLJJXHF-VWLOTQADSA-N 1 1 435.572 3.496 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257318464 568719501 /nfs/dbraw/zinc/71/95/01/568719501.db2.gz VOBBKEFOZIKUSX-NRFANRHFSA-N 1 1 443.935 3.180 40 0 IGABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000257340240 568728773 /nfs/dbraw/zinc/72/87/73/568728773.db2.gz ZFDYZVNSTXOHIQ-AREMUKBSSA-N 1 1 435.568 3.152 40 0 IGABMO Cc1ccsc1C[N@H+]1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126488 568764178 /nfs/dbraw/zinc/76/41/78/568764178.db2.gz DXLMVBOELGXHOX-URXFXBBRSA-N 1 1 434.565 3.244 40 0 IGABMO Cc1cccc(C[N@@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)n1 ZINC000306127065 568764507 /nfs/dbraw/zinc/76/45/07/568764507.db2.gz FNONECFWCDYOHV-XMMPIXPASA-N 1 1 446.599 3.143 40 0 IGABMO Cc1cccc(C[N@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)n1 ZINC000306127065 568764508 /nfs/dbraw/zinc/76/45/08/568764508.db2.gz FNONECFWCDYOHV-XMMPIXPASA-N 1 1 446.599 3.143 40 0 IGABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306127992 568764937 /nfs/dbraw/zinc/76/49/37/568764937.db2.gz GNJSCTVBBOXUFC-ILBGXUMGSA-N 1 1 432.499 3.013 40 0 IGABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4ccccc4Cl)C[C@@H]2C3)cc1 ZINC000306132480 568767312 /nfs/dbraw/zinc/76/73/12/568767312.db2.gz LKOVDSZOURIXNM-IRXDYDNUSA-N 1 1 437.931 3.497 40 0 IGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136478 568769488 /nfs/dbraw/zinc/76/94/88/568769488.db2.gz PUMPFGZQHNVIHH-WIOPSUGQSA-N 1 1 430.556 3.272 40 0 IGABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4ccco4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306136626 568769643 /nfs/dbraw/zinc/76/96/43/568769643.db2.gz PYSHDTWZUCEROF-ZCYQVOJMSA-N 1 1 433.508 3.080 40 0 IGABMO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC000306141206 568772037 /nfs/dbraw/zinc/77/20/37/568772037.db2.gz VOHQZXKDCVKSSV-OAQYLSRUSA-N 1 1 435.568 3.089 40 0 IGABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000253616936 569209232 /nfs/dbraw/zinc/20/92/32/569209232.db2.gz UPMMZHMPCFECTR-REWPJTCUSA-N 1 1 447.587 3.474 40 0 IGABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)CC1 ZINC000006953511 569218779 /nfs/dbraw/zinc/21/87/79/569218779.db2.gz NNAAEVZKZZWYFJ-UHFFFAOYSA-N 1 1 427.570 3.334 40 0 IGABMO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@]3(O)c2cnc(OC)nc2OC)c(C)c1C ZINC000019577265 569226942 /nfs/dbraw/zinc/22/69/42/569226942.db2.gz VNBRLJQQUNOKSN-LJFZDNNRSA-N 1 1 427.545 3.239 40 0 IGABMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 ZINC000019692763 569228331 /nfs/dbraw/zinc/22/83/31/569228331.db2.gz ZWAZOCPAXINNLU-JOCHJYFZSA-N 1 1 431.540 3.190 40 0 IGABMO Cc1cccc(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 ZINC000019692763 569228333 /nfs/dbraw/zinc/22/83/33/569228333.db2.gz ZWAZOCPAXINNLU-JOCHJYFZSA-N 1 1 431.540 3.190 40 0 IGABMO COc1cccc(-c2ccc([C@@H]3CN(C(=O)c4noc(C)c4C[NH+](C)C)CCO3)nc2)c1 ZINC000019693564 569228967 /nfs/dbraw/zinc/22/89/67/569228967.db2.gz XUEGZGPMMMSSBY-QFIPXVFZSA-N 1 1 436.512 3.329 40 0 IGABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC000019702447 569232073 /nfs/dbraw/zinc/23/20/73/569232073.db2.gz YTAPQWWMGVIVOJ-MRXNPFEDSA-N 1 1 439.585 3.123 40 0 IGABMO O=C(NCc1cnn(-c2ccccc2)c1[C@@H]1CC[N@H+](C2CCOCC2)C1)c1ccccn1 ZINC000019707999 569234683 /nfs/dbraw/zinc/23/46/83/569234683.db2.gz ZBLWWYWIYTXXHU-LJQANCHMSA-N 1 1 431.540 3.166 40 0 IGABMO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000009317735 569295340 /nfs/dbraw/zinc/29/53/40/569295340.db2.gz WFDQUOKRUGEQJS-PIXQIBFHSA-N 1 1 429.520 3.149 40 0 IGABMO Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n1 ZINC000015672654 291360240 /nfs/dbraw/zinc/36/02/40/291360240.db2.gz IAAJKGASZDCMQU-NNWRFLSQSA-N 1 1 436.604 3.403 40 0 biogenic,in-vitro IGABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H](C)Cn4cc[nH+]c4C)C3)cc2n1 ZINC000012088424 523779396 /nfs/dbraw/zinc/77/93/96/523779396.db2.gz NQULMKCRVMVFDI-DZGCQCFKSA-N 1 1 434.466 3.468 40 0 IGABMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 ZINC000022799719 527026956 /nfs/dbraw/zinc/02/69/56/527026956.db2.gz CAGHTDCHZDXWKS-IBGZPJMESA-N 1 1 431.508 3.451 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000030758843 556505600 /nfs/dbraw/zinc/50/56/00/556505600.db2.gz ZCMMYLVSJYGMBQ-GOSISDBHSA-N 1 1 440.569 3.268 40 0 IGABMO COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030943054 556516658 /nfs/dbraw/zinc/51/66/58/556516658.db2.gz IBLJTPUETWTJDG-MRXNPFEDSA-N 1 1 430.476 3.480 40 0 IGABMO O[C@@H]1C[C@@H]2C[N@@H+](CCc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514289272 556625433 /nfs/dbraw/zinc/62/54/33/556625433.db2.gz KRJPWYODPKGWDH-DHIUTWEWSA-N 1 1 445.529 3.253 40 0 biogenic,in-vitro IGABMO C[N@H+]1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257285894 556715700 /nfs/dbraw/zinc/71/57/00/556715700.db2.gz PJISSXWQJMJLOH-HXUWFJFHSA-N 1 1 426.524 3.062 40 0 IGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 ZINC000019238688 556724033 /nfs/dbraw/zinc/72/40/33/556724033.db2.gz UYUBFIYIBCKXGX-IBGZPJMESA-N 1 1 435.553 3.070 40 0 IGABMO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000019343433 556741033 /nfs/dbraw/zinc/74/10/33/556741033.db2.gz IWTHTCQNIOMIFD-SFHVURJKSA-N 1 1 438.601 3.374 40 0 IGABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccc4ccccc4n3)[nH]c(=O)c2C1 ZINC000019448177 556757550 /nfs/dbraw/zinc/75/75/50/556757550.db2.gz PYLWOZKPSNORJD-JOCHJYFZSA-N 1 1 431.540 3.452 40 0 IGABMO C[C@@H](CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2)n1cccn1 ZINC000019455305 556765642 /nfs/dbraw/zinc/76/56/42/556765642.db2.gz JMGLWOXSCHZQKF-UWJYYQICSA-N 1 1 438.576 3.384 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1OC ZINC000019560929 556802387 /nfs/dbraw/zinc/80/23/87/556802387.db2.gz JVVAAWXQMRFKSL-AREMUKBSSA-N 1 1 446.551 3.471 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1OC ZINC000019567833 556808268 /nfs/dbraw/zinc/80/82/68/556808268.db2.gz MWQJJGHUYMMUBQ-GOSISDBHSA-N 1 1 436.512 3.396 40 0 IGABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000255952715 556822537 /nfs/dbraw/zinc/82/25/37/556822537.db2.gz WUXOFPHVZRIAAW-UHFFFAOYSA-N 1 1 446.345 3.154 40 0 IGABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2ccc(OC)cc2)CCO1 ZINC000019591901 556827881 /nfs/dbraw/zinc/82/78/81/556827881.db2.gz TUSHWPRIBMHGTI-SANMLTNESA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2ccc(OC)cc2)CCO1 ZINC000019591901 556827884 /nfs/dbraw/zinc/82/78/84/556827884.db2.gz TUSHWPRIBMHGTI-SANMLTNESA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cccc(OC)c2)CCO1 ZINC000019591913 556827952 /nfs/dbraw/zinc/82/79/52/556827952.db2.gz YLDWOBJQMZWVPP-SANMLTNESA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cccc(OC)c2)CCO1 ZINC000019591913 556827956 /nfs/dbraw/zinc/82/79/56/556827956.db2.gz YLDWOBJQMZWVPP-SANMLTNESA-N 1 1 431.536 3.317 40 0 IGABMO COc1c(C)cccc1C[N@@H+](C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698767 556857815 /nfs/dbraw/zinc/85/78/15/556857815.db2.gz NUFYCNJBLQHGDO-RPWUZVMVSA-N 1 1 437.584 3.286 40 0 IGABMO CNc1nc([C@H]2CCC[N@@H+]2C)nc2c1CCN(C(=O)c1cc(-c3cccc(OC)c3)on1)C2 ZINC000019707329 556866851 /nfs/dbraw/zinc/86/68/51/556866851.db2.gz FNDROHIKUIWXPO-HXUWFJFHSA-N 1 1 448.527 3.147 40 0 IGABMO CNc1nc([C@H]2CCC[N@H+]2C)nc2c1CCN(C(=O)c1cc(-c3cccc(OC)c3)on1)C2 ZINC000019707329 556866853 /nfs/dbraw/zinc/86/68/53/556866853.db2.gz FNDROHIKUIWXPO-HXUWFJFHSA-N 1 1 448.527 3.147 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1cn(C)c3cc(OC)ccc13)C2 ZINC000019707445 556867175 /nfs/dbraw/zinc/86/71/75/556867175.db2.gz VTKRGDHQKIEEQF-QFIPXVFZSA-N 1 1 448.571 3.260 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1cn(C)c3cc(OC)ccc13)C2 ZINC000019707445 556867176 /nfs/dbraw/zinc/86/71/76/556867176.db2.gz VTKRGDHQKIEEQF-QFIPXVFZSA-N 1 1 448.571 3.260 40 0 IGABMO CNc1nc([C@H]2CCCN2C(=O)c2cn(CCOC)c3ccccc23)nc2c1CC[N@H+](C)C2 ZINC000019707490 556867450 /nfs/dbraw/zinc/86/74/50/556867450.db2.gz KGAAEKCHHHYJGS-JOCHJYFZSA-N 1 1 448.571 3.085 40 0 IGABMO CNc1nc([C@H]2CCCN2C(=O)c2cn(CCOC)c3ccccc23)nc2c1CC[N@@H+](C)C2 ZINC000019707490 556867453 /nfs/dbraw/zinc/86/74/53/556867453.db2.gz KGAAEKCHHHYJGS-JOCHJYFZSA-N 1 1 448.571 3.085 40 0 IGABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2n(C)c1=O ZINC000019743491 556888280 /nfs/dbraw/zinc/88/82/80/556888280.db2.gz ITAGBMFDACTEMC-INIZCTEOSA-N 1 1 446.473 3.073 40 0 IGABMO Cc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1 ZINC000019757097 556901451 /nfs/dbraw/zinc/90/14/51/556901451.db2.gz PWVCEQPTXOHXLB-QGZVFWFLSA-N 1 1 440.592 3.030 40 0 IGABMO COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)c1 ZINC000072354100 556929061 /nfs/dbraw/zinc/92/90/61/556929061.db2.gz DVLQWFVEMHSTJU-HSZRJFAPSA-N 1 1 437.584 3.418 40 0 IGABMO Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)c(=O)n1 ZINC000072372610 556943347 /nfs/dbraw/zinc/94/33/47/556943347.db2.gz MREWFPGXPVDRFO-HXUWFJFHSA-N 1 1 436.491 3.205 40 0 IGABMO CCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CCC2 ZINC000072392638 556964023 /nfs/dbraw/zinc/96/40/23/556964023.db2.gz UUKORAICQVTPAF-NXQMDHLFSA-N 1 1 439.556 3.111 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc(OC)c1OC ZINC000072395322 556966742 /nfs/dbraw/zinc/96/67/42/556966742.db2.gz JMEXBZNPJGXFMV-CQSZACIVSA-N 1 1 433.459 3.467 40 0 IGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000072398721 556970665 /nfs/dbraw/zinc/97/06/65/556970665.db2.gz ALSBKKQFVFBFLU-REWPJTCUSA-N 1 1 434.584 3.438 40 0 IGABMO Cc1nn([C@@H](C)CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000072398786 556970842 /nfs/dbraw/zinc/97/08/42/556970842.db2.gz 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COc1cc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)ccc1OCCn1cccn1 ZINC000585271889 557216641 /nfs/dbraw/zinc/21/66/41/557216641.db2.gz PTXRWCLIPKZFSU-VWLOTQADSA-N 1 1 437.540 3.377 40 0 IGABMO COCC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283126 557222469 /nfs/dbraw/zinc/22/24/69/557222469.db2.gz PXCUVOMHFNTQRQ-RUZDIDTESA-N 1 1 432.605 3.173 40 0 IGABMO Cc1cc(C)c(C)c(OC[C@]2(O)COCCN(Cc3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000585284303 557223871 /nfs/dbraw/zinc/22/38/71/557223871.db2.gz WRVCIQOYPYJBNK-AREMUKBSSA-N 1 1 442.600 3.195 40 0 IGABMO O[C@@]1(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287313 557224262 /nfs/dbraw/zinc/22/42/62/557224262.db2.gz MKOCUEIEBORZGA-AMDXRBSFSA-N 1 1 447.522 3.496 40 0 IGABMO CCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000019823761 557508243 /nfs/dbraw/zinc/50/82/43/557508243.db2.gz ZQJDMRAGMALSEY-UHFFFAOYSA-N 1 1 430.618 3.035 40 0 IGABMO COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 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434.584 3.476 40 0 IGABMO CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000019739049 569236409 /nfs/dbraw/zinc/23/64/09/569236409.db2.gz QMBCJRSMUHJDHV-DEOSSOPVSA-N 1 1 430.593 3.058 40 0 IGABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C ZINC000019763632 569238022 /nfs/dbraw/zinc/23/80/22/569238022.db2.gz RNEVIJUNTUHFTK-LJQANCHMSA-N 1 1 432.528 3.449 40 0 IGABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C1CCC1)CC2=O)NC1CC1 ZINC000253396302 569264577 /nfs/dbraw/zinc/26/45/77/569264577.db2.gz DOOKHBQPAACUMF-RXAWACCASA-N 1 1 437.584 3.123 40 0 IGABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCC1)CC2=O)NC1CC1 ZINC000253396302 569264578 /nfs/dbraw/zinc/26/45/78/569264578.db2.gz DOOKHBQPAACUMF-RXAWACCASA-N 1 1 437.584 3.123 40 0 IGABMO CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](CC1CC1)CC2=O ZINC000253409001 569265523 /nfs/dbraw/zinc/26/55/23/569265523.db2.gz ZGGFNBPEWBSMCG-BQNLEMKZSA-N 1 1 439.600 3.227 40 0 IGABMO CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](CC1CC1)CC2=O ZINC000253409001 569265525 /nfs/dbraw/zinc/26/55/25/569265525.db2.gz ZGGFNBPEWBSMCG-BQNLEMKZSA-N 1 1 439.600 3.227 40 0 IGABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)Nc3cccc(F)c3)CC2)cs1 ZINC000225466573 291357210 /nfs/dbraw/zinc/35/72/10/291357210.db2.gz KKXLAFLYMIVNCY-GOSISDBHSA-N 1 1 448.564 3.409 40 0 biogenic,in-vitro IGABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)Nc3cccc(F)c3)CC2)cs1 ZINC000225466573 291357211 /nfs/dbraw/zinc/35/72/11/291357211.db2.gz KKXLAFLYMIVNCY-GOSISDBHSA-N 1 1 448.564 3.409 40 0 biogenic,in-vitro IGABMO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000022512085 523783893 /nfs/dbraw/zinc/78/38/93/523783893.db2.gz QPZVLOQMAGCGLO-JOCHJYFZSA-N 1 1 440.569 3.350 40 0 IGABMO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)N(c1ccccc1)S(C)(=O)=O ZINC000020451235 523785941 /nfs/dbraw/zinc/78/59/41/523785941.db2.gz CCRJOAYWDRTTOT-HXUWFJFHSA-N 1 1 426.542 3.042 40 0 IGABMO 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ZINC000257341633 556707178 /nfs/dbraw/zinc/70/71/78/556707178.db2.gz ZLFVDNMOTARTNW-JOCHJYFZSA-N 1 1 439.556 3.459 40 0 IGABMO O=C(C1CCCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343610 556741481 /nfs/dbraw/zinc/74/14/81/556741481.db2.gz PUWRFTIUZDSTDP-QGZVFWFLSA-N 1 1 426.586 3.286 40 0 IGABMO O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019343696 556741730 /nfs/dbraw/zinc/74/17/30/556741730.db2.gz KIWNZLXPAUPHTA-HXUWFJFHSA-N 1 1 435.553 3.152 40 0 IGABMO O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019343696 556741731 /nfs/dbraw/zinc/74/17/31/556741731.db2.gz KIWNZLXPAUPHTA-HXUWFJFHSA-N 1 1 435.553 3.152 40 0 IGABMO O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019404897 556754436 /nfs/dbraw/zinc/75/44/36/556754436.db2.gz FIUMVBZUNZKESM-JOCHJYFZSA-N 1 1 435.572 3.471 40 0 IGABMO COc1ccc2cc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)[nH]c2c1 ZINC000019448409 556758016 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IGABMO Cc1oc(-c2cccs2)nc1C[S@](=O)CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008584057 562949949 /nfs/dbraw/zinc/94/99/49/562949949.db2.gz QGYSEQCMSZKWQJ-HDBFXVAESA-N 1 1 437.631 3.444 40 0 IGABMO C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257204542 568667199 /nfs/dbraw/zinc/66/71/99/568667199.db2.gz AVCIWDSVSBPMTM-JOCHJYFZSA-N 1 1 435.565 3.182 40 0 IGABMO C[C@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257204543 568667320 /nfs/dbraw/zinc/66/73/20/568667320.db2.gz AVCIWDSVSBPMTM-QFIPXVFZSA-N 1 1 435.565 3.182 40 0 IGABMO Cc1[nH+]ccn1CCC(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)C(C)C)o2)CC1 ZINC000257209323 568669406 /nfs/dbraw/zinc/66/94/06/568669406.db2.gz BPXFSQZGFUILNZ-LJQANCHMSA-N 1 1 442.564 3.080 40 0 IGABMO COc1ccc([C@@H]2CN(C(=O)c3ccccc3Cn3cc[nH+]c3C)CCN2C(C)=O)cc1 ZINC000257259952 568692974 /nfs/dbraw/zinc/69/29/74/568692974.db2.gz LATHNTUDVHNYHD-DEOSSOPVSA-N 1 1 432.524 3.294 40 0 IGABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000257263954 568694912 /nfs/dbraw/zinc/69/49/12/568694912.db2.gz LSEWLWYMXYZAHV-UHFFFAOYSA-N 1 1 449.595 3.081 40 0 IGABMO CNc1nc([C@@H]2CCN(C(=O)c3ccc(N4CCC(C)CC4)cc3)C2)nc2c1CC[N@H+](C)C2 ZINC000257264359 568695151 /nfs/dbraw/zinc/69/51/51/568695151.db2.gz LUAVWTOZVHIDSI-HXUWFJFHSA-N 1 1 448.615 3.372 40 0 IGABMO CNc1nc([C@@H]2CCN(C(=O)c3ccc(N4CCC(C)CC4)cc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257264359 568695154 /nfs/dbraw/zinc/69/51/54/568695154.db2.gz LUAVWTOZVHIDSI-HXUWFJFHSA-N 1 1 448.615 3.372 40 0 IGABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000257272139 568698480 /nfs/dbraw/zinc/69/84/80/568698480.db2.gz NBFQILPAFKZGBO-SANMLTNESA-N 1 1 449.599 3.180 40 0 IGABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000257272139 568698481 /nfs/dbraw/zinc/69/84/81/568698481.db2.gz NBFQILPAFKZGBO-SANMLTNESA-N 1 1 449.599 3.180 40 0 IGABMO COCCNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3cc(C)n(C)n3)C2)cc2ccccc21 ZINC000257281374 568702754 /nfs/dbraw/zinc/70/27/54/568702754.db2.gz OOWVHEDBXFRXSV-LJQANCHMSA-N 1 1 436.560 3.153 40 0 IGABMO COCCNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc(C)n(C)n3)C2)cc2ccccc21 ZINC000257281374 568702755 /nfs/dbraw/zinc/70/27/55/568702755.db2.gz OOWVHEDBXFRXSV-LJQANCHMSA-N 1 1 436.560 3.153 40 0 IGABMO C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1)Cc1ccc(F)cc1 ZINC000257302583 568712484 /nfs/dbraw/zinc/71/24/84/568712484.db2.gz SDMBFMFZETZXRQ-JOCHJYFZSA-N 1 1 435.503 3.391 40 0 IGABMO C[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1)Cc1ccc(F)cc1 ZINC000257302583 568712486 /nfs/dbraw/zinc/71/24/86/568712486.db2.gz SDMBFMFZETZXRQ-JOCHJYFZSA-N 1 1 435.503 3.391 40 0 IGABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@@H+]2Cc2ccnc(N3CCOCC3)n2)n1 ZINC000257303089 568712596 /nfs/dbraw/zinc/71/25/96/568712596.db2.gz SFSBFFPKJSXYRM-NRFANRHFSA-N 1 1 449.534 3.219 40 0 IGABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@H+]2Cc2ccnc(N3CCOCC3)n2)n1 ZINC000257303089 568712600 /nfs/dbraw/zinc/71/26/00/568712600.db2.gz SFSBFFPKJSXYRM-NRFANRHFSA-N 1 1 449.534 3.219 40 0 IGABMO Cc1ccc(F)c(NC(=O)CN2CC[C@@]3(CCC[N@H+]3CCc3ccccc3)[C@@H](O)C2)c1 ZINC000257331114 568724961 /nfs/dbraw/zinc/72/49/61/568724961.db2.gz XRKPUJMSSGEPPW-ZCYQVOJMSA-N 1 1 425.548 3.217 40 0 IGABMO C[N@H+]1CCN(C(=O)c2ccnc(-c3cncnc3)c2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257337603 568727677 /nfs/dbraw/zinc/72/76/77/568727677.db2.gz YTNCEJHEHZTAAN-IBGZPJMESA-N 1 1 438.535 3.333 40 0 IGABMO C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257342260 568729462 /nfs/dbraw/zinc/72/94/62/568729462.db2.gz ZNUXLPSRRAFRRL-HXUWFJFHSA-N 1 1 437.519 3.452 40 0 IGABMO C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257342260 568729463 /nfs/dbraw/zinc/72/94/63/568729463.db2.gz ZNUXLPSRRAFRRL-HXUWFJFHSA-N 1 1 437.519 3.452 40 0 IGABMO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)C[C@H](C(=O)N(C)Cc2ccccc2)O3)s1 ZINC000306129065 568765442 /nfs/dbraw/zinc/76/54/42/568765442.db2.gz HTKUCVKUGHCZNX-JOCHJYFZSA-N 1 1 427.614 3.380 40 0 IGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306129609 568765913 /nfs/dbraw/zinc/76/59/13/568765913.db2.gz IHZVWBORQPNPJG-WIOPSUGQSA-N 1 1 430.556 3.272 40 0 IGABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccccc1F)C[C@@H]2c1cccnc1 ZINC000306129700 568765942 /nfs/dbraw/zinc/76/59/42/568765942.db2.gz IKJLMXRKKDDTFB-RDGATRHJSA-N 1 1 432.499 3.013 40 0 IGABMO Cc1cc(C)cc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133389 568767953 /nfs/dbraw/zinc/76/79/53/568767953.db2.gz MKBKOLOQFVZTGD-BDYUSTAISA-N 1 1 442.563 3.491 40 0 IGABMO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101342568 568782138 /nfs/dbraw/zinc/78/21/38/568782138.db2.gz ATPCUYQGOXKMIT-UVLLPENVSA-N 1 1 442.302 3.425 40 0 IGABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344171 568782162 /nfs/dbraw/zinc/78/21/62/568782162.db2.gz JTUKBNQXECTJOR-NWFVXXGESA-N 1 1 439.874 3.219 40 0 IGABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344171 568782163 /nfs/dbraw/zinc/78/21/63/568782163.db2.gz JTUKBNQXECTJOR-NWFVXXGESA-N 1 1 439.874 3.219 40 0 IGABMO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000015998845 568862281 /nfs/dbraw/zinc/86/22/81/568862281.db2.gz ATPCUYQGOXKMIT-KLSTYFJDSA-N 1 1 442.302 3.425 40 0 IGABMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013565844 568905228 /nfs/dbraw/zinc/90/52/28/568905228.db2.gz ARDWTABHJXTEDX-HXUWFJFHSA-N 1 1 429.904 3.310 40 0 IGABMO Cc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000248332784 569207667 /nfs/dbraw/zinc/20/76/67/569207667.db2.gz JHHADXBOPIGYET-SNYIIPAISA-N 1 1 437.540 3.367 40 0 IGABMO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](Cc2cncn2C)C1 ZINC000019530077 569226767 /nfs/dbraw/zinc/22/67/67/569226767.db2.gz LBYJGURMPUJQAJ-NFBKMPQASA-N 1 1 428.508 3.288 40 0 IGABMO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](Cc2cncn2C)C1 ZINC000019530079 569226801 /nfs/dbraw/zinc/22/68/01/569226801.db2.gz LBYJGURMPUJQAJ-OFNKIYASSA-N 1 1 428.508 3.288 40 0 IGABMO COc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3cccc4ncccc34)Cc3cn(C)nc32)cc1 ZINC000019701531 569231509 /nfs/dbraw/zinc/23/15/09/569231509.db2.gz MITOBNPFVFFVRN-QHCPKHFHSA-N 1 1 441.535 3.393 40 0 IGABMO COc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3cccc4ncccc34)Cc3cn(C)nc32)cc1 ZINC000019701530 569231535 /nfs/dbraw/zinc/23/15/35/569231535.db2.gz MITOBNPFVFFVRN-HSZRJFAPSA-N 1 1 441.535 3.393 40 0 IGABMO COc1c(C)cccc1C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702603 569232305 /nfs/dbraw/zinc/23/23/05/569232305.db2.gz ZXAMUFYNTLWGHA-INIZCTEOSA-N 1 1 425.554 3.325 40 0 IGABMO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccc(F)cc3)[N@@H+]2Cc2ccnc(N3CCCC3)n2)N1 ZINC000019713942 569235820 /nfs/dbraw/zinc/23/58/20/569235820.db2.gz BIEKJMUQWIGZDG-XPWALMASSA-N 1 1 437.563 3.460 40 0 IGABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)c3ccc(F)cc3)CC2)cs1 ZINC000225467087 291357174 /nfs/dbraw/zinc/35/71/74/291357174.db2.gz IAXXDJOTPPCBBK-GOSISDBHSA-N 1 1 433.549 3.017 40 0 biogenic,in-vitro IGABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)c3ccc(F)cc3)CC2)cs1 ZINC000225467087 291357177 /nfs/dbraw/zinc/35/71/77/291357177.db2.gz IAXXDJOTPPCBBK-GOSISDBHSA-N 1 1 433.549 3.017 40 0 biogenic,in-vitro IGABMO CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000020503338 519708314 /nfs/dbraw/zinc/70/83/14/519708314.db2.gz ZDEOFOIOLSXTMZ-PKOBYXMFSA-N 1 1 433.508 3.178 40 0 biogenic,in-vitro IGABMO CCn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1 ZINC000012235436 523370800 /nfs/dbraw/zinc/37/08/00/523370800.db2.gz CAWWJAGKNUFFDO-DVECYGJZSA-N 1 1 426.561 3.242 40 0 IGABMO CCn1cc(C[N@H+]2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1 ZINC000012235441 523374098 /nfs/dbraw/zinc/37/40/98/523374098.db2.gz CAWWJAGKNUFFDO-CYFREDJKSA-N 1 1 426.561 3.242 40 0 IGABMO O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC[NH+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480954 527630455 /nfs/dbraw/zinc/63/04/55/527630455.db2.gz SVJXCJROFMLTFM-NEWJYFPISA-N 1 1 449.595 3.271 40 0 biogenic,in-vitro IGABMO O=C([O-])C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480954 527630460 /nfs/dbraw/zinc/63/04/60/527630460.db2.gz SVJXCJROFMLTFM-NEWJYFPISA-N 1 1 449.595 3.271 40 0 biogenic,in-vitro IGABMO O=C([O-])C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480954 527630466 /nfs/dbraw/zinc/63/04/66/527630466.db2.gz SVJXCJROFMLTFM-NEWJYFPISA-N 1 1 449.595 3.271 40 0 biogenic,in-vitro IGABMO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(COc2cc(C)c(Cl)c(C)c2)C1 ZINC000257326383 556705162 /nfs/dbraw/zinc/70/51/62/556705162.db2.gz WXAFSKKHLQCKPS-XMMPIXPASA-N 1 1 446.975 3.488 40 0 IGABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@](O)(COc2cc(C)c(Cl)c(C)c2)C1 ZINC000257326383 556705164 /nfs/dbraw/zinc/70/51/64/556705164.db2.gz WXAFSKKHLQCKPS-XMMPIXPASA-N 1 1 446.975 3.488 40 0 IGABMO CC(=O)N[C@]12C[N@@H+](CCOc3ccc(F)cc3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000257340735 556707225 /nfs/dbraw/zinc/70/72/25/556707225.db2.gz ZHIKJMXDNUTCIP-UBFVSLLYSA-N 1 1 439.531 3.005 40 0 IGABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000257310494 556718506 /nfs/dbraw/zinc/71/85/06/556718506.db2.gz UFHDHMQUROSJRQ-RUZDIDTESA-N 1 1 430.508 3.332 40 0 IGABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000257310494 556718508 /nfs/dbraw/zinc/71/85/08/556718508.db2.gz UFHDHMQUROSJRQ-RUZDIDTESA-N 1 1 430.508 3.332 40 0 IGABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)n1 ZINC000019236231 556720777 /nfs/dbraw/zinc/72/07/77/556720777.db2.gz MLSMDERCUONELO-QGZVFWFLSA-N 1 1 449.580 3.113 40 0 IGABMO Cc1cccnc1C[N@H+]1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019237796 556722789 /nfs/dbraw/zinc/72/27/89/556722789.db2.gz PXQMFZACBFQDAA-KRWDZBQOSA-N 1 1 449.580 3.113 40 0 IGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 ZINC000019238691 556724159 /nfs/dbraw/zinc/72/41/59/556724159.db2.gz ZVHPIGVNPCHYON-LJQANCHMSA-N 1 1 435.553 3.070 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc(OC)c1OC ZINC000019239096 556724452 /nfs/dbraw/zinc/72/44/52/556724452.db2.gz UJXJDPBKEFPMGN-MRXNPFEDSA-N 1 1 425.489 3.240 40 0 IGABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019287669 556728542 /nfs/dbraw/zinc/72/85/42/556728542.db2.gz YJHZEOSODVYMOS-OAHLLOKOSA-N 1 1 425.558 3.121 40 0 IGABMO NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019348353 556743838 /nfs/dbraw/zinc/74/38/38/556743838.db2.gz NAJIVXFAESGXLP-SANMLTNESA-N 1 1 444.535 3.225 40 0 IGABMO O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019404894 556754548 /nfs/dbraw/zinc/75/45/48/556754548.db2.gz FIUMVBZUNZKESM-QFIPXVFZSA-N 1 1 435.572 3.471 40 0 IGABMO O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019406438 556755070 /nfs/dbraw/zinc/75/50/70/556755070.db2.gz BLKHOGLHSQQNKI-HXUWFJFHSA-N 1 1 426.586 3.428 40 0 IGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019449988 556760667 /nfs/dbraw/zinc/76/06/67/556760667.db2.gz MOVIYLQWTRPCFZ-WOJBJXKFSA-N 1 1 427.980 3.470 40 0 IGABMO CCc1noc(C)c1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019521276 556778028 /nfs/dbraw/zinc/77/80/28/556778028.db2.gz LLTCXNALBPMBFS-UHFFFAOYSA-N 1 1 425.508 3.479 40 0 IGABMO CCc1c(C)nc([C@H]2CCC[N@@H+](Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[nH]c1=O ZINC000019521553 556778322 /nfs/dbraw/zinc/77/83/22/556778322.db2.gz LUVSXYQDGXNUMJ-FQEVSTJZSA-N 1 1 438.572 3.022 40 0 IGABMO CCn1nc2c(c1C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[nH]1)CC[N@H+](C(C)C)C3)CCCC2 ZINC000019524090 556781254 /nfs/dbraw/zinc/78/12/54/556781254.db2.gz KMPIYINPSJWKPV-HXUWFJFHSA-N 1 1 438.576 3.021 40 0 IGABMO CCN1CC[N@H+](Cc2c(C)nn(C)c2OC)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527445 556785749 /nfs/dbraw/zinc/78/57/49/556785749.db2.gz JSQOBWIEOHJLDK-QHCPKHFHSA-N 1 1 447.583 3.322 40 0 IGABMO CCN1CC[N@@H+](Cc2c(C)nn(C)c2OC)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527445 556785751 /nfs/dbraw/zinc/78/57/51/556785751.db2.gz JSQOBWIEOHJLDK-QHCPKHFHSA-N 1 1 447.583 3.322 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccncc4)[nH]c(=O)c3C2)cc1 ZINC000019555532 556798182 /nfs/dbraw/zinc/79/81/82/556798182.db2.gz YGTPUNJXFOOHSL-QFIPXVFZSA-N 1 1 445.523 3.121 40 0 IGABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nn(CCO)cc2-c2ccnc(N3CCCC3)n2)cc1 ZINC000019555245 556798377 /nfs/dbraw/zinc/79/83/77/556798377.db2.gz NBTWPRJLAOEYLY-QHCPKHFHSA-N 1 1 448.571 3.278 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nn(CCO)cc2-c2ccnc(N3CCCC3)n2)cc1 ZINC000019555245 556798379 /nfs/dbraw/zinc/79/83/79/556798379.db2.gz NBTWPRJLAOEYLY-QHCPKHFHSA-N 1 1 448.571 3.278 40 0 IGABMO Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556783 556799318 /nfs/dbraw/zinc/79/93/18/556799318.db2.gz XGUFEUCPETYMAY-YCRPNKLZSA-N 1 1 440.592 3.070 40 0 IGABMO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)[C@@H](c1ccccc1)N1CCCCC1)C2 ZINC000019710695 556874298 /nfs/dbraw/zinc/87/42/98/556874298.db2.gz MWFGULXDPDKBOU-HSZRJFAPSA-N 1 1 448.615 3.097 40 0 IGABMO NC(=O)c1cc([C@H]2CCN(C(=O)C3C[NH+](Cc4ccc(Cl)cc4)C3)C2)nc2ccccc21 ZINC000019756866 556900862 /nfs/dbraw/zinc/90/08/62/556900862.db2.gz ZBZHMAABCCNWCG-KRWDZBQOSA-N 1 1 448.954 3.435 40 0 IGABMO C[C@H](Cc1ccccc1F)[N@H+]1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334503 556907181 /nfs/dbraw/zinc/90/71/81/556907181.db2.gz KDOCXHMOBZQGDQ-FQHLQPMKSA-N 1 1 437.559 3.328 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2CCCCCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340252 556912185 /nfs/dbraw/zinc/91/21/85/556912185.db2.gz JDQAEQVOLODJNK-NMMYMHLASA-N 1 1 430.520 3.084 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2CCCCCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340252 556912189 /nfs/dbraw/zinc/91/21/89/556912189.db2.gz JDQAEQVOLODJNK-NMMYMHLASA-N 1 1 430.520 3.084 40 0 IGABMO O=C(C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000072352339 556923835 /nfs/dbraw/zinc/92/38/35/556923835.db2.gz MTKZFJOOXOEWEH-SFHVURJKSA-N 1 1 441.597 3.176 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000072352339 556923838 /nfs/dbraw/zinc/92/38/38/556923838.db2.gz MTKZFJOOXOEWEH-SFHVURJKSA-N 1 1 441.597 3.176 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(Nc3ccccn3)cn2)ccc1OCC(N)=O ZINC000072353181 556925689 /nfs/dbraw/zinc/92/56/89/556925689.db2.gz LQGUASJFCWMEIE-FQEVSTJZSA-N 1 1 433.512 3.430 40 0 IGABMO C[N@@H+](CCC(=O)N1CCC[C@H]1Cc1c2ccccc2sc1C(N)=O)Cc1ccccn1 ZINC000072370264 556934301 /nfs/dbraw/zinc/93/43/01/556934301.db2.gz OPKLNAVTKLHIEM-SFHVURJKSA-N 1 1 436.581 3.451 40 0 IGABMO Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)c(=O)n1 ZINC000072372611 556943389 /nfs/dbraw/zinc/94/33/89/556943389.db2.gz MREWFPGXPVDRFO-FQEVSTJZSA-N 1 1 436.491 3.205 40 0 IGABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375862 556953277 /nfs/dbraw/zinc/95/32/77/556953277.db2.gz GFNBXQJBPJEPMC-NRFANRHFSA-N 1 1 432.528 3.419 40 0 IGABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375862 556953282 /nfs/dbraw/zinc/95/32/82/556953282.db2.gz GFNBXQJBPJEPMC-NRFANRHFSA-N 1 1 432.528 3.419 40 0 IGABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375861 556953328 /nfs/dbraw/zinc/95/33/28/556953328.db2.gz GFNBXQJBPJEPMC-OAQYLSRUSA-N 1 1 432.528 3.419 40 0 IGABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375861 556953332 /nfs/dbraw/zinc/95/33/32/556953332.db2.gz GFNBXQJBPJEPMC-OAQYLSRUSA-N 1 1 432.528 3.419 40 0 IGABMO CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCC3)C4)C2)CC1 ZINC000257300607 557000694 /nfs/dbraw/zinc/00/06/94/557000694.db2.gz RVARIKQFKGPQMK-ZHALLVOQSA-N 1 1 428.577 3.004 40 0 IGABMO C[N@@H+]1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000585183496 557138841 /nfs/dbraw/zinc/13/88/41/557138841.db2.gz HIOMKSXJYWRNMY-FQEVSTJZSA-N 1 1 445.489 3.229 40 0 IGABMO C[N@H+]1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000585183496 557138844 /nfs/dbraw/zinc/13/88/44/557138844.db2.gz HIOMKSXJYWRNMY-FQEVSTJZSA-N 1 1 445.489 3.229 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000216313478 557142685 /nfs/dbraw/zinc/14/26/85/557142685.db2.gz NDGVGWLWDCQZHN-GOSISDBHSA-N 1 1 440.569 3.268 40 0 IGABMO Cc1cccc(C(=O)N2CCC3(C[C@@H](CC(=O)N4CC[NH+](C)CC4)c4ccccc43)CC2)n1 ZINC000096052958 557166499 /nfs/dbraw/zinc/16/64/99/557166499.db2.gz UGSYDLQOXGVWRH-OAQYLSRUSA-N 1 1 446.595 3.215 40 0 IGABMO O=C(NCCc1cccs1)c1ccc2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2c1 ZINC000096156187 557180940 /nfs/dbraw/zinc/18/09/40/557180940.db2.gz BBFQEKKYAHDENR-SFHVURJKSA-N 1 1 432.553 3.148 40 0 IGABMO CCOCC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096263948 557191575 /nfs/dbraw/zinc/19/15/75/557191575.db2.gz LQXSBZCQORMCTH-SFTDATJTSA-N 1 1 430.570 3.139 40 0 IGABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000033656545 557341734 /nfs/dbraw/zinc/34/17/34/557341734.db2.gz DFAXQDXNKHEZMB-BZDHPDOMSA-N 1 1 443.837 3.049 40 0 IGABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000033656545 557341740 /nfs/dbraw/zinc/34/17/40/557341740.db2.gz DFAXQDXNKHEZMB-BZDHPDOMSA-N 1 1 443.837 3.049 40 0 IGABMO COc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C(C)C ZINC000224588168 557627853 /nfs/dbraw/zinc/62/78/53/557627853.db2.gz BPBUBGZRJMCLEU-UHFFFAOYSA-N 1 1 432.586 3.438 40 0 IGABMO CCn1c2ccc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3C)cc2sc1=O ZINC000225693274 557764835 /nfs/dbraw/zinc/76/48/35/557764835.db2.gz UPYVZAZFEKMRIS-UHFFFAOYSA-N 1 1 428.539 3.056 40 0 IGABMO CCS(=O)(=O)Nc1cccc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000225969375 557797929 /nfs/dbraw/zinc/79/79/29/557797929.db2.gz RQLPFHOQPCZAKB-UHFFFAOYSA-N 1 1 432.933 3.492 40 0 IGABMO CC(=O)N1CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257225018 568676406 /nfs/dbraw/zinc/67/64/06/568676406.db2.gz FEMMGPUMUMPRDX-OAQYLSRUSA-N 1 1 444.583 3.148 40 0 IGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CC2CCN(c3ncccn3)CC2)n1 ZINC000257234272 568681072 /nfs/dbraw/zinc/68/10/72/568681072.db2.gz GSVMOJOMCISCNS-OAQYLSRUSA-N 1 1 431.544 3.336 40 0 IGABMO Cc1nc2cc(NC(=O)C[C@@H]3CCCN(C(=O)C[N@@H+]4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000257248616 568687856 /nfs/dbraw/zinc/68/78/56/568687856.db2.gz JELYHZINEAAEOQ-IBGZPJMESA-N 1 1 445.567 3.497 40 0 IGABMO Cc1nc2cc(NC(=O)C[C@@H]3CCCN(C(=O)C[N@H+]4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000257248616 568687857 /nfs/dbraw/zinc/68/78/57/568687857.db2.gz JELYHZINEAAEOQ-IBGZPJMESA-N 1 1 445.567 3.497 40 0 IGABMO COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2Cn2cc[nH+]c2C)CCN1C(C)=O ZINC000257253225 568689773 /nfs/dbraw/zinc/68/97/73/568689773.db2.gz JYAGXGOCXWEHGS-QHCPKHFHSA-N 1 1 432.524 3.294 40 0 IGABMO CNc1nc([C@@H]2CC[N@@H+](Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CCN(C(C)=O)C2 ZINC000257275461 568699901 /nfs/dbraw/zinc/69/99/01/568699901.db2.gz NPMRVVJTLYFTAV-LJQANCHMSA-N 1 1 437.588 3.346 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257281904 568703025 /nfs/dbraw/zinc/70/30/25/568703025.db2.gz ORKIGTIONTZKQY-ZCYQVOJMSA-N 1 1 437.540 3.424 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257281904 568703028 /nfs/dbraw/zinc/70/30/28/568703028.db2.gz ORKIGTIONTZKQY-ZCYQVOJMSA-N 1 1 437.540 3.424 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCOC[C@H](Cc3ccc4ccncc4c3)C2)cc1 ZINC000257298161 568710253 /nfs/dbraw/zinc/71/02/53/568710253.db2.gz RKKUJGOEXHFYCY-HXUWFJFHSA-N 1 1 432.524 3.323 40 0 IGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCOC[C@H](Cc3ccc4ccncc4c3)C2)cc1 ZINC000257298161 568710257 /nfs/dbraw/zinc/71/02/57/568710257.db2.gz RKKUJGOEXHFYCY-HXUWFJFHSA-N 1 1 432.524 3.323 40 0 IGABMO CC1(C)CCC2(CC[NH+](CC(=O)Nc3cccc4c3CCCC4)CC2)CN1S(C)(=O)=O ZINC000257310273 568715706 /nfs/dbraw/zinc/71/57/06/568715706.db2.gz UELMBUUITNJVOK-UHFFFAOYSA-N 1 1 447.645 3.420 40 0 IGABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000257325220 568722517 /nfs/dbraw/zinc/72/25/17/568722517.db2.gz WRZMXOMJXQSTCD-IBGZPJMESA-N 1 1 437.588 3.346 40 0 IGABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000257325220 568722519 /nfs/dbraw/zinc/72/25/19/568722519.db2.gz WRZMXOMJXQSTCD-IBGZPJMESA-N 1 1 437.588 3.346 40 0 IGABMO Cc1ccsc1C[N@H+]1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126490 568764170 /nfs/dbraw/zinc/76/41/70/568764170.db2.gz DXLMVBOELGXHOX-ZJSXRUAMSA-N 1 1 434.565 3.244 40 0 IGABMO COc1cccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128611 568765405 /nfs/dbraw/zinc/76/54/05/568765405.db2.gz HGDYZSZXUDCTPX-BDYUSTAISA-N 1 1 443.547 3.487 40 0 IGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccn3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306136778 568769740 /nfs/dbraw/zinc/76/97/40/568769740.db2.gz QCWKVVJTHYKBJW-RDGATRHJSA-N 1 1 430.556 3.272 40 0 IGABMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101342795 568782168 /nfs/dbraw/zinc/78/21/68/568782168.db2.gz OITGREQAXLVEJB-FZONSQQESA-N 1 1 439.874 3.219 40 0 IGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3CCCO3)[nH]c(=O)c2C1 ZINC000253599788 569209054 /nfs/dbraw/zinc/20/90/54/569209054.db2.gz UNNMZLDFUWJFHS-VQIMIIECSA-N 1 1 442.585 3.343 40 0 IGABMO O[C@@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCN(c2ccccc2)CC1 ZINC000001462688 569211097 /nfs/dbraw/zinc/21/10/97/569211097.db2.gz WMMSITUOYUKVBG-MRXNPFEDSA-N 1 1 427.289 3.289 40 0 IGABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000006960863 569218677 /nfs/dbraw/zinc/21/86/77/569218677.db2.gz PMGKULUNVZCRTD-UHFFFAOYSA-N 1 1 427.570 3.334 40 0 IGABMO O=C([C@@H]1CC=CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343605 569226363 /nfs/dbraw/zinc/22/63/63/569226363.db2.gz DQOYQWZNYMWPOF-QZTJIDSGSA-N 1 1 438.597 3.452 40 0 IGABMO COc1cc(C)ccc1C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702555 569232199 /nfs/dbraw/zinc/23/21/99/569232199.db2.gz LUEDFQLKKCYFEQ-KRWDZBQOSA-N 1 1 425.554 3.325 40 0 IGABMO CCn1nc(C)c(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)NCCOC)C2)c1C ZINC000019702622 569232212 /nfs/dbraw/zinc/23/22/12/569232212.db2.gz FEIHPTKDYIEEPE-KRWDZBQOSA-N 1 1 441.601 3.495 40 0 IGABMO COc1cc(C)ccc1C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702553 569232269 /nfs/dbraw/zinc/23/22/69/569232269.db2.gz LUEDFQLKKCYFEQ-QGZVFWFLSA-N 1 1 425.554 3.325 40 0 IGABMO O=C(NCc1cnn(-c2ccccc2)c1[C@@H]1CC[N@H+](C2CCOCC2)C1)c1cccnc1 ZINC000019708001 569234525 /nfs/dbraw/zinc/23/45/25/569234525.db2.gz LIIHQPXPZSDHIT-HXUWFJFHSA-N 1 1 431.540 3.166 40 0 IGABMO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@H+]2Cc2ccnc(N3CCCC3)n2)cc1 ZINC000019713944 569235764 /nfs/dbraw/zinc/23/57/64/569235764.db2.gz GMOTWWFCQSYTFF-YFNKSVMNSA-N 1 1 449.599 3.330 40 0 IGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C ZINC000019763634 569238096 /nfs/dbraw/zinc/23/80/96/569238096.db2.gz RNEVIJUNTUHFTK-IBGZPJMESA-N 1 1 432.528 3.449 40 0 IGABMO O=C(c1cc([C@H]2C[N@H+](CCc3ccccc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019762347 569328841 /nfs/dbraw/zinc/32/88/41/569328841.db2.gz CZQVEPLOAOSUAM-RUZDIDTESA-N 1 1 431.536 3.323 40 0 IGABMO O=C(c1cc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019762347 569328842 /nfs/dbraw/zinc/32/88/42/569328842.db2.gz CZQVEPLOAOSUAM-RUZDIDTESA-N 1 1 431.536 3.323 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000020490222 527386933 /nfs/dbraw/zinc/38/69/33/527386933.db2.gz KDIXUJXRRVEYHO-UHFFFAOYSA-N 1 1 438.553 3.204 40 0 IGABMO Cc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](CC2CCCCC2)CC3)on1 ZINC000019119910 556700812 /nfs/dbraw/zinc/70/08/12/556700812.db2.gz TVEUTDQWWDQFIG-FQEVSTJZSA-N 1 1 439.560 3.372 40 0 IGABMO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccsc4)C3)[nH]c(=O)c2C1 ZINC000019342787 556740755 /nfs/dbraw/zinc/74/07/55/556740755.db2.gz ZIXMTVYFDBEUMQ-MRXNPFEDSA-N 1 1 440.594 3.471 40 0 IGABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](C[C@H]4CC=CCC4)C3)nc2C1 ZINC000019347687 556743486 /nfs/dbraw/zinc/74/34/86/556743486.db2.gz DSJRLLXGMSUEIF-ZWKOTPCHSA-N 1 1 436.531 3.253 40 0 IGABMO O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019370226 556747883 /nfs/dbraw/zinc/74/78/83/556747883.db2.gz DQFVURBGRKPZNV-QHCPKHFHSA-N 1 1 443.551 3.432 40 0 IGABMO O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019370226 556747885 /nfs/dbraw/zinc/74/78/85/556747885.db2.gz DQFVURBGRKPZNV-QHCPKHFHSA-N 1 1 443.551 3.432 40 0 IGABMO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000019404132 556754307 /nfs/dbraw/zinc/75/43/07/556754307.db2.gz HCZTWEIENMXBHP-SFTDATJTSA-N 1 1 436.604 3.468 40 0 IGABMO O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405360 556754747 /nfs/dbraw/zinc/75/47/47/556754747.db2.gz ZLDYISNWCDQNAE-JOCHJYFZSA-N 1 1 435.572 3.357 40 0 IGABMO O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405360 556754751 /nfs/dbraw/zinc/75/47/51/556754751.db2.gz ZLDYISNWCDQNAE-JOCHJYFZSA-N 1 1 435.572 3.357 40 0 IGABMO COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C(C)C)C2 ZINC000019448339 556757446 /nfs/dbraw/zinc/75/74/46/556757446.db2.gz LHTDQQIMKLETMQ-NRFANRHFSA-N 1 1 438.572 3.231 40 0 IGABMO CCN1CC[N@H+](Cc2c(C)nn(C)c2OC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527752 556787519 /nfs/dbraw/zinc/78/75/19/556787519.db2.gz WRJCSPYWSGWIQZ-JOCHJYFZSA-N 1 1 447.583 3.322 40 0 IGABMO CCN1CC[N@@H+](Cc2c(C)nn(C)c2OC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527752 556787521 /nfs/dbraw/zinc/78/75/21/556787521.db2.gz WRJCSPYWSGWIQZ-JOCHJYFZSA-N 1 1 447.583 3.322 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)cc1 ZINC000019555526 556798383 /nfs/dbraw/zinc/79/83/83/556798383.db2.gz OVDWYUKOZLZBOF-QFIPXVFZSA-N 1 1 445.523 3.121 40 0 IGABMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nn(CCO)cc2-c2ccnc(N3CCCC3)n2)cc1 ZINC000019555242 556798392 /nfs/dbraw/zinc/79/83/92/556798392.db2.gz NBTWPRJLAOEYLY-HSZRJFAPSA-N 1 1 448.571 3.278 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2nn(CCO)cc2-c2ccnc(N3CCCC3)n2)cc1 ZINC000019555242 556798393 /nfs/dbraw/zinc/79/83/93/556798393.db2.gz NBTWPRJLAOEYLY-HSZRJFAPSA-N 1 1 448.571 3.278 40 0 IGABMO COc1ccc(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)cc1Cn1ccnc1 ZINC000019559496 556801216 /nfs/dbraw/zinc/80/12/16/556801216.db2.gz PUGFKSDGRRFQCW-BKMJKUGQSA-N 1 1 445.567 3.363 40 0 IGABMO Cc1cc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cc(C)c1O ZINC000019570043 556810061 /nfs/dbraw/zinc/81/00/61/556810061.db2.gz HCJLLXREFKHVGI-SFTDATJTSA-N 1 1 437.588 3.139 40 0 IGABMO COc1ccccc1C[N@H+]1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019570366 556810440 /nfs/dbraw/zinc/81/04/40/556810440.db2.gz CMUNYIFQEUOXCX-JOCHJYFZSA-N 1 1 448.571 3.278 40 0 IGABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006409765 556835210 /nfs/dbraw/zinc/83/52/10/556835210.db2.gz FYCYQBDTYNSODQ-NRFANRHFSA-N 1 1 436.560 3.337 40 0 IGABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006409765 556835213 /nfs/dbraw/zinc/83/52/13/556835213.db2.gz FYCYQBDTYNSODQ-NRFANRHFSA-N 1 1 436.560 3.337 40 0 IGABMO CNc1nc([C@H]2CCCN2C(=O)C(C)(C)Oc2ccc(OC)cc2)nc2c1CC[N@H+](C)C2 ZINC000019707432 556867168 /nfs/dbraw/zinc/86/71/68/556867168.db2.gz SVYVBQFSTLDTAA-HXUWFJFHSA-N 1 1 439.560 3.036 40 0 IGABMO CNc1nc([C@H]2CCCN2C(=O)C(C)(C)Oc2ccc(OC)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019707432 556867169 /nfs/dbraw/zinc/86/71/69/556867169.db2.gz SVYVBQFSTLDTAA-HXUWFJFHSA-N 1 1 439.560 3.036 40 0 IGABMO Cc1nc([C@@H]2CCCN2C(=O)Cn2cc[nH+]c2C(C)C)ncc1C(=O)NCc1ccccc1 ZINC000019755124 556898346 /nfs/dbraw/zinc/89/83/46/556898346.db2.gz LEMUUXGCVKJZME-NRFANRHFSA-N 1 1 446.555 3.399 40 0 IGABMO C=C1[NH+]=C(SCC(=O)OC)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408990503 556911199 /nfs/dbraw/zinc/91/11/99/556911199.db2.gz NKLABUKWYPNKGB-HNNXBMFYSA-N 1 1 427.320 3.193 40 0 IGABMO COc1ccc2c(c1)N[C@@]1(CCC[N@@H+](CCN3C(=O)c4ccccc4C3=O)C1)c1cccn1-2 ZINC000072341787 556914154 /nfs/dbraw/zinc/91/41/54/556914154.db2.gz KOBHRCCBGCFVIB-AREMUKBSSA-N 1 1 442.519 3.499 40 0 IGABMO CC(=O)N1CCC([N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)CC1 ZINC000072352223 556923349 /nfs/dbraw/zinc/92/33/49/556923349.db2.gz BWXYTKUOZDCZKW-GOSISDBHSA-N 1 1 441.597 3.174 40 0 IGABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)CC1 ZINC000072352222 556923386 /nfs/dbraw/zinc/92/33/86/556923386.db2.gz BWXYTKUOZDCZKW-SFHVURJKSA-N 1 1 441.597 3.174 40 0 IGABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCOCC1 ZINC000072358541 556931822 /nfs/dbraw/zinc/93/18/22/556931822.db2.gz UFVMCFAIGXQQJZ-QGZVFWFLSA-N 1 1 434.462 3.201 40 0 IGABMO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCOCC1 ZINC000072358542 556931842 /nfs/dbraw/zinc/93/18/42/556931842.db2.gz UFVMCFAIGXQQJZ-KRWDZBQOSA-N 1 1 434.462 3.201 40 0 IGABMO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1)N1CCCC1 ZINC000072371237 556937541 /nfs/dbraw/zinc/93/75/41/556937541.db2.gz GMKMCJAIOGZAOU-MRXNPFEDSA-N 1 1 436.478 3.462 40 0 IGABMO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCCC1 ZINC000072371237 556937544 /nfs/dbraw/zinc/93/75/44/556937544.db2.gz GMKMCJAIOGZAOU-MRXNPFEDSA-N 1 1 436.478 3.462 40 0 IGABMO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCCC1 ZINC000072371237 556937547 /nfs/dbraw/zinc/93/75/47/556937547.db2.gz GMKMCJAIOGZAOU-MRXNPFEDSA-N 1 1 436.478 3.462 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373054 556945405 /nfs/dbraw/zinc/94/54/05/556945405.db2.gz BHBSLIMPKSRXNY-VXKWHMMOSA-N 1 1 434.584 3.165 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)nc2c1CC[N@H+](C)C2 ZINC000072376532 556955051 /nfs/dbraw/zinc/95/50/51/556955051.db2.gz WMANTKVSUYZTQW-GOSISDBHSA-N 1 1 425.552 3.374 40 0 IGABMO CNc1nc([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000072376532 556955054 /nfs/dbraw/zinc/95/50/54/556955054.db2.gz WMANTKVSUYZTQW-GOSISDBHSA-N 1 1 425.552 3.374 40 0 IGABMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000257262778 556989596 /nfs/dbraw/zinc/98/95/96/556989596.db2.gz LMWGXQPXGYDXCI-RBBKRZOGSA-N 1 1 426.605 3.330 40 0 IGABMO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)CC1 ZINC000257295924 557000010 /nfs/dbraw/zinc/00/00/10/557000010.db2.gz RALVANCGTIJBAH-BJLQDIEVSA-N 1 1 442.604 3.394 40 0 IGABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)c2ncn(-c4cccc(F)c4)n2)C3)s1 ZINC000585102111 557035598 /nfs/dbraw/zinc/03/55/98/557035598.db2.gz SAXDURIAIYFQQJ-NRFANRHFSA-N 1 1 426.521 3.052 40 0 IGABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)c2ncn(-c4cccc(F)c4)n2)C3)s1 ZINC000585102111 557035603 /nfs/dbraw/zinc/03/56/03/557035603.db2.gz SAXDURIAIYFQQJ-NRFANRHFSA-N 1 1 426.521 3.052 40 0 IGABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000585106098 557039572 /nfs/dbraw/zinc/03/95/72/557039572.db2.gz LNYLJMUHPZURLY-RTWAWAEBSA-N 1 1 444.019 3.457 40 0 IGABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409267457 557039708 /nfs/dbraw/zinc/03/97/08/557039708.db2.gz VSFQHGRPFFAWBO-UHFFFAOYSA-N 1 1 443.613 3.478 40 0 IGABMO COc1ccc(N2C[C@H](C(=O)N3CCCC4=C[C@@H]5C[C@@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)CC2=O)cc1 ZINC000409413544 557109369 /nfs/dbraw/zinc/10/93/69/557109369.db2.gz CCDXVWLCRJJTAC-NAJCILGRSA-N 1 1 449.595 3.470 40 0 IGABMO Cc1cc(C)cc(C(=O)N2CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCN(C)C4=O)CC2)c1 ZINC000096144283 557172093 /nfs/dbraw/zinc/17/20/93/557172093.db2.gz MAYROLICKPHTLN-HHHXNRCGSA-N 1 1 446.595 3.285 40 0 IGABMO COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000008831730 557175435 /nfs/dbraw/zinc/17/54/35/557175435.db2.gz VBQIVFMCFJQWBW-UHFFFAOYSA-N 1 1 448.976 3.236 40 0 IGABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)NCc2cccc(F)c2)CC3)C1=O ZINC000096262784 557190303 /nfs/dbraw/zinc/19/03/03/557190303.db2.gz YBHOGHBPNRPBTJ-VWLOTQADSA-N 1 1 444.595 3.328 40 0 IGABMO 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Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000020044899 556972940 /nfs/dbraw/zinc/97/29/40/556972940.db2.gz WOABEEKQDNYRNQ-OAHLLOKOSA-N 1 1 446.960 3.305 40 0 IGABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@H]1Cc1ccccc1 ZINC000257207824 556980528 /nfs/dbraw/zinc/98/05/28/556980528.db2.gz BJLGZTLZMLYDDH-PKTZIBPZSA-N 1 1 448.611 3.383 40 0 IGABMO COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1cc(OC)cc(OC)c1)CC2)C(C)C ZINC000585103028 557037159 /nfs/dbraw/zinc/03/71/59/557037159.db2.gz BKTCTOZVRXKVJG-JOCHJYFZSA-N 1 1 434.577 3.072 40 0 IGABMO O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106277 557039560 /nfs/dbraw/zinc/03/95/60/557039560.db2.gz LYCLKXZBJDFHTC-MSOLQXFVSA-N 1 1 433.955 3.322 40 0 IGABMO O=C(Cc1ccccc1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@H+]21 ZINC000585110070 557042616 /nfs/dbraw/zinc/04/26/16/557042616.db2.gz DYUWSEUNCOJLGU-BJKOFHAPSA-N 1 1 440.547 3.434 40 0 IGABMO Cc1cccc(C(=O)N2CCC3(C[C@H](CC(=O)N4CC[NH+](C)CC4)c4ccccc43)CC2)n1 ZINC000096052957 557166398 /nfs/dbraw/zinc/16/63/98/557166398.db2.gz UGSYDLQOXGVWRH-NRFANRHFSA-N 1 1 446.595 3.215 40 0 IGABMO O=C([C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)O1)N1CCCC1 ZINC000096243699 557187632 /nfs/dbraw/zinc/18/76/32/557187632.db2.gz LWRHDFVRNSQBCT-LJQANCHMSA-N 1 1 432.927 3.188 40 0 IGABMO CCCc1ccc(O[C@H]2C[N@@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc1 ZINC000585267902 557207260 /nfs/dbraw/zinc/20/72/60/557207260.db2.gz SOSNYZIMXZMZOE-DQEYMECFSA-N 1 1 438.568 3.264 40 0 IGABMO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)c(C)n1C[C@H]1CCCO1 ZINC000057731365 557259798 /nfs/dbraw/zinc/25/97/98/557259798.db2.gz UPPWSZJSZAHBDR-LAUBAEHRSA-N 1 1 439.604 3.162 40 0 IGABMO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)c(C)n1C[C@H]1CCCO1 ZINC000057731365 557259802 /nfs/dbraw/zinc/25/98/02/557259802.db2.gz UPPWSZJSZAHBDR-LAUBAEHRSA-N 1 1 439.604 3.162 40 0 IGABMO Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022921176 557273214 /nfs/dbraw/zinc/27/32/14/557273214.db2.gz PMLQNPSTGIIPSS-ZEQRLZLVSA-N 1 1 432.572 3.068 40 0 IGABMO COc1cccc(CCN2C[C@H]3CC[N@H+](Cc4cccc(OC)c4)CC[C@H]3S2(=O)=O)c1 ZINC000107183812 557335990 /nfs/dbraw/zinc/33/59/90/557335990.db2.gz PQNYXCMRYKKXNC-ZJSXRUAMSA-N 1 1 444.597 3.173 40 0 IGABMO CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccc(F)cc2)n2ncnc2N1 ZINC000017097974 557480435 /nfs/dbraw/zinc/48/04/35/557480435.db2.gz VPMAFWKXAJWIPU-JOCHJYFZSA-N 1 1 432.503 3.051 40 0 IGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288113 568619377 /nfs/dbraw/zinc/61/93/77/568619377.db2.gz WLFNVRBVZIZUII-IMRHEYAYSA-N 1 1 427.532 3.374 40 0 IGABMO C[NH+](C)CCOc1cccc(C(=O)N2CCC[C@H]2c2nnc(Cc3ccc(F)cc3)[nH]2)c1 ZINC000257229700 568678776 /nfs/dbraw/zinc/67/87/76/568678776.db2.gz FZEOHEUPAYQXJQ-NRFANRHFSA-N 1 1 437.519 3.452 40 0 IGABMO C[NH+](C)CCOc1cccc(C(=O)N2CCC[C@H]2c2n[nH]c(Cc3ccc(F)cc3)n2)c1 ZINC000257229700 568678777 /nfs/dbraw/zinc/67/87/77/568678777.db2.gz FZEOHEUPAYQXJQ-NRFANRHFSA-N 1 1 437.519 3.452 40 0 IGABMO COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2ccccc2Cn2cc[nH+]c2C)cc1 ZINC000257280537 568702397 /nfs/dbraw/zinc/70/23/97/568702397.db2.gz OLGSEZILLDNDRF-XMMPIXPASA-N 1 1 432.524 3.294 40 0 IGABMO COc1cc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc(OC)c1 ZINC000257291412 568707234 /nfs/dbraw/zinc/70/72/34/568707234.db2.gz QGWBGPHPRIWCPE-LJQANCHMSA-N 1 1 426.561 3.167 40 0 IGABMO C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257342259 568729477 /nfs/dbraw/zinc/72/94/77/568729477.db2.gz ZNUXLPSRRAFRRL-FQEVSTJZSA-N 1 1 437.519 3.452 40 0 IGABMO C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257342259 568729478 /nfs/dbraw/zinc/72/94/78/568729478.db2.gz ZNUXLPSRRAFRRL-FQEVSTJZSA-N 1 1 437.519 3.452 40 0 IGABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccc(Cl)c4)C[C@H]2C3)cc1 ZINC000306123529 568762856 /nfs/dbraw/zinc/76/28/56/568762856.db2.gz APMOHXDHJZWFFQ-IAGOWNOFSA-N 1 1 437.931 3.497 40 0 IGABMO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@H+](Cc4[nH]nc5ccccc54)C3)O2)cc1 ZINC000306127960 568764871 /nfs/dbraw/zinc/76/48/71/568764871.db2.gz GMAMXOOJQXISQA-NLFFAJNJSA-N 1 1 434.540 3.051 40 0 IGABMO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@@H+](Cc4[nH]nc5ccccc54)C3)O2)cc1 ZINC000306127960 568764872 /nfs/dbraw/zinc/76/48/72/568764872.db2.gz GMAMXOOJQXISQA-NLFFAJNJSA-N 1 1 434.540 3.051 40 0 IGABMO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@H+](Cc4n[nH]c5ccccc54)C3)O2)cc1 ZINC000306127960 568764873 /nfs/dbraw/zinc/76/48/73/568764873.db2.gz GMAMXOOJQXISQA-NLFFAJNJSA-N 1 1 434.540 3.051 40 0 IGABMO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@@H+](Cc4n[nH]c5ccccc54)C3)O2)cc1 ZINC000306127960 568764874 /nfs/dbraw/zinc/76/48/74/568764874.db2.gz GMAMXOOJQXISQA-NLFFAJNJSA-N 1 1 434.540 3.051 40 0 IGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306130909 568766480 /nfs/dbraw/zinc/76/64/80/568766480.db2.gz JSIILKSMTNUHQN-CPJSRVTESA-N 1 1 436.556 3.421 40 0 IGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccnc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136477 568769423 /nfs/dbraw/zinc/76/94/23/568769423.db2.gz PUMPFGZQHNVIHH-RDGATRHJSA-N 1 1 430.556 3.272 40 0 IGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136475 568769475 /nfs/dbraw/zinc/76/94/75/568769475.db2.gz PUMPFGZQHNVIHH-DHLKQENFSA-N 1 1 430.556 3.272 40 0 IGABMO Cc1cccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139780 568771359 /nfs/dbraw/zinc/77/13/59/568771359.db2.gz UAIIENFLMILDFB-RSXGOPAZSA-N 1 1 428.536 3.182 40 0 IGABMO CCn1cc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143792 568773363 /nfs/dbraw/zinc/77/33/63/568773363.db2.gz YMMXJJSZLNRZDI-DHLKQENFSA-N 1 1 447.587 3.094 40 0 IGABMO CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000306143670 568773374 /nfs/dbraw/zinc/77/33/74/568773374.db2.gz YIMZZRNANAEWEB-HSZRJFAPSA-N 1 1 425.548 3.150 40 0 IGABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000306144050 568773619 /nfs/dbraw/zinc/77/36/19/568773619.db2.gz YUKYIOTXOXWBNS-QHCPKHFHSA-N 1 1 446.599 3.179 40 0 IGABMO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)[C@@H](N)c2ccccc2)CC1 ZINC000248165685 569207526 /nfs/dbraw/zinc/20/75/26/569207526.db2.gz ZPSVQAXTCNRZIN-OIBXWCBGSA-N 1 1 438.547 3.023 40 0 IGABMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)[C@@H](N)c2ccccc2)CC1 ZINC000248165685 569207527 /nfs/dbraw/zinc/20/75/27/569207527.db2.gz ZPSVQAXTCNRZIN-OIBXWCBGSA-N 1 1 438.547 3.023 40 0 IGABMO O=C(C[N@H+]1CCC[C@H](Cc2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370573 569226558 /nfs/dbraw/zinc/22/65/58/569226558.db2.gz DANDSPJTPYRIPI-DHIUTWEWSA-N 1 1 448.611 3.240 40 0 IGABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)C[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000019697654 569230073 /nfs/dbraw/zinc/23/00/73/569230073.db2.gz KESGINULPABOKW-FQEVSTJZSA-N 1 1 449.576 3.219 40 0 IGABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)C[N@H+]2CCc3ccccc3C2)CCO1 ZINC000019697654 569230074 /nfs/dbraw/zinc/23/00/74/569230074.db2.gz KESGINULPABOKW-FQEVSTJZSA-N 1 1 449.576 3.219 40 0 IGABMO CC(C)c1ncc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cn1 ZINC000019702585 569232186 /nfs/dbraw/zinc/23/21/86/569232186.db2.gz FXTKRZMZAOQDNH-QGZVFWFLSA-N 1 1 439.585 3.264 40 0 IGABMO COc1cccc(CC(=O)N2CC[C@H](c3ccnc4c(Cn5cc[nH+]c5C)c(C)nn43)C2)c1 ZINC000019707613 569234427 /nfs/dbraw/zinc/23/44/27/569234427.db2.gz KAXHITHILFLNJX-FQEVSTJZSA-N 1 1 444.539 3.158 40 0 IGABMO O=C(NCc1cnn(-c2ccccc2)c1[C@H]1CC[N@H+](C2CCOCC2)C1)c1ccccn1 ZINC000019708000 569234527 /nfs/dbraw/zinc/23/45/27/569234527.db2.gz ZBLWWYWIYTXXHU-IBGZPJMESA-N 1 1 431.540 3.166 40 0 IGABMO COc1ccc(-c2nccnc2[C@H]2CN(C(=O)C[N@@H+]3CCc4ccccc4C3)CCO2)cc1 ZINC000019693137 569326490 /nfs/dbraw/zinc/32/64/90/569326490.db2.gz NTUQVQLHXABGIF-HSZRJFAPSA-N 1 1 444.535 3.110 40 0 IGABMO COc1ccc(-c2nccnc2[C@H]2CN(C(=O)C[N@H+]3CCc4ccccc4C3)CCO2)cc1 ZINC000019693137 569326491 /nfs/dbraw/zinc/32/64/91/569326491.db2.gz NTUQVQLHXABGIF-HSZRJFAPSA-N 1 1 444.535 3.110 40 0 IGABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)cs1 ZINC000225467036 291357195 /nfs/dbraw/zinc/35/71/95/291357195.db2.gz RMWCYDZREWTNIZ-GOSISDBHSA-N 1 1 433.549 3.017 40 0 biogenic,in-vitro IGABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)cs1 ZINC000225467036 291357197 /nfs/dbraw/zinc/35/71/97/291357197.db2.gz RMWCYDZREWTNIZ-GOSISDBHSA-N 1 1 433.549 3.017 40 0 biogenic,in-vitro IGABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(NC(C)=O)cc2)n1 ZINC000035424930 523966467 /nfs/dbraw/zinc/96/64/67/523966467.db2.gz DZKFXMGAPMDCIE-FQEVSTJZSA-N 1 1 436.516 3.485 40 0 biogenic,in-vitro IGABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(NC(C)=O)cc2)n1 ZINC000035424930 523966471 /nfs/dbraw/zinc/96/64/71/523966471.db2.gz DZKFXMGAPMDCIE-FQEVSTJZSA-N 1 1 436.516 3.485 40 0 biogenic,in-vitro IGABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)C1 ZINC000022524855 524093904 /nfs/dbraw/zinc/09/39/04/524093904.db2.gz RDRNQQHPLYPSPL-FQEVSTJZSA-N 1 1 441.597 3.065 40 0 IGABMO COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](C(C)C)CC1 ZINC000012187103 524723767 /nfs/dbraw/zinc/72/37/67/524723767.db2.gz UKWZPXMRCGIEPN-QGZVFWFLSA-N 1 1 434.540 3.163 40 0 IGABMO O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408706950 556114180 /nfs/dbraw/zinc/11/41/80/556114180.db2.gz FOLWBYQLKMELDN-GOSISDBHSA-N 1 1 442.357 3.146 40 0 IGABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019014348 556691548 /nfs/dbraw/zinc/69/15/48/556691548.db2.gz UARGIEJCSISEQX-TVADFSRQSA-N 1 1 432.568 3.348 40 0 IGABMO CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000019086151 556699651 /nfs/dbraw/zinc/69/96/51/556699651.db2.gz RVNGJTCQNWXKQS-TZIWHRDSSA-N 1 1 443.617 3.100 40 0 IGABMO O=C1CCCN1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000257335485 556706279 /nfs/dbraw/zinc/70/62/79/556706279.db2.gz YKIGMBHHWCRKLC-AREMUKBSSA-N 1 1 438.568 3.484 40 0 IGABMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCN3CCCC3=O)cc2)c(C)c1 ZINC000257245745 556710986 /nfs/dbraw/zinc/71/09/86/556710986.db2.gz IQYBCKVZBUNQSD-JOCHJYFZSA-N 1 1 426.557 3.176 40 0 IGABMO COCCOCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@H+]2Cc1ccccc1 ZINC000257255719 556712064 /nfs/dbraw/zinc/71/20/64/556712064.db2.gz KIPGDOFGRGDHCT-UBFVSLLYSA-N 1 1 438.568 3.175 40 0 IGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3C)[nH]c(=O)c2C1 ZINC000019238693 556724011 /nfs/dbraw/zinc/72/40/11/556724011.db2.gz NNGQQHWTLLTSQJ-HXUWFJFHSA-N 1 1 449.580 3.379 40 0 IGABMO Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CC3CCCCC3)[nH]c(=O)c2C1 ZINC000019239486 556725035 /nfs/dbraw/zinc/72/50/35/556725035.db2.gz SEGNFWYNDGBOGC-QFIPXVFZSA-N 1 1 435.572 3.389 40 0 IGABMO Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCC(C)CC3)[nH]c(=O)c2C1 ZINC000019239481 556725043 /nfs/dbraw/zinc/72/50/43/556725043.db2.gz JWKSJSCJWBHAFU-CWZMJNCASA-N 1 1 435.572 3.387 40 0 IGABMO O=C(C[N@H+]1CCC2(C1)CCCCC2)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019291990 556731790 /nfs/dbraw/zinc/73/17/90/556731790.db2.gz RKYOSHYDTYIATG-FQEVSTJZSA-N 1 1 426.605 3.332 40 0 IGABMO CCn1cc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2CCCCC2)C3)cn1 ZINC000019524868 556782320 /nfs/dbraw/zinc/78/23/20/556782320.db2.gz UBJJFRLIDXRAEC-NRFANRHFSA-N 1 1 438.576 3.314 40 0 IGABMO Cc1cc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)c(C)s1 ZINC000019567953 556808116 /nfs/dbraw/zinc/80/81/16/556808116.db2.gz ZFOAKVVCMKYEEV-QGZVFWFLSA-N 1 1 426.586 3.123 40 0 IGABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 ZINC000019694193 556849652 /nfs/dbraw/zinc/84/96/52/556849652.db2.gz LOWLSBBGCQFZQG-LJQANCHMSA-N 1 1 448.571 3.383 40 0 IGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCCCc3ccc(F)cc3)c2C1 ZINC000019711302 556875477 /nfs/dbraw/zinc/87/54/77/556875477.db2.gz XUHXVUROCHWORY-LJQANCHMSA-N 1 1 425.552 3.374 40 0 IGABMO CCn1ccnc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(OC)cc2)CC1 ZINC000019756247 556899987 /nfs/dbraw/zinc/89/99/87/556899987.db2.gz SOKGRCVVTABMSI-UHFFFAOYSA-N 1 1 436.560 3.352 40 0 IGABMO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)n1 ZINC000072334712 556907498 /nfs/dbraw/zinc/90/74/98/556907498.db2.gz ONGSVWQNRCVDTI-HXUWFJFHSA-N 1 1 445.523 3.072 40 0 IGABMO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)n1 ZINC000072334712 556907501 /nfs/dbraw/zinc/90/75/01/556907501.db2.gz ONGSVWQNRCVDTI-HXUWFJFHSA-N 1 1 445.523 3.072 40 0 IGABMO 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CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@@H+]3CC3=CCCOC3)nn2c1C ZINC000257209209 568669286 /nfs/dbraw/zinc/66/92/86/568669286.db2.gz BPJXSLXJFIEHQB-JOCHJYFZSA-N 1 1 425.577 3.289 40 0 IGABMO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@H+]3CC3=CCCOC3)nn2c1C ZINC000257209209 568669290 /nfs/dbraw/zinc/66/92/90/568669290.db2.gz BPJXSLXJFIEHQB-JOCHJYFZSA-N 1 1 425.577 3.289 40 0 IGABMO O=C(C[N@@H+]1CCc2ccccc2C1)N1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257218918 568673737 /nfs/dbraw/zinc/67/37/37/568673737.db2.gz DEVORGWAVSSABA-JYFHCDHNSA-N 1 1 435.543 3.239 40 0 IGABMO O=C(C[N@H+]1CCc2ccccc2C1)N1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257218918 568673738 /nfs/dbraw/zinc/67/37/38/568673738.db2.gz DEVORGWAVSSABA-JYFHCDHNSA-N 1 1 435.543 3.239 40 0 IGABMO C[N@H+]1CCN(C(=O)c2cccc(-c3cncnc3)n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257228914 568678411 /nfs/dbraw/zinc/67/84/11/568678411.db2.gz FVVKEOZIOMZYGK-IBGZPJMESA-N 1 1 438.535 3.333 40 0 IGABMO 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CC1CC[NH+](CC(=O)N2CCC(c3[nH]ncc3C(=O)N3CCc4ccccc4C3)CC2)CC1 ZINC000257291517 568707310 /nfs/dbraw/zinc/70/73/10/568707310.db2.gz QHIMNQUYUNMQMH-UHFFFAOYSA-N 1 1 449.599 3.046 40 0 IGABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@H](Cc3cccn4nccc34)C2)c1 ZINC000257304023 568712961 /nfs/dbraw/zinc/71/29/61/568712961.db2.gz SJTNFACAPYHUMQ-OAQYLSRUSA-N 1 1 429.524 3.219 40 0 IGABMO CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)CC[NH+]4CCOCC4)CC3)C[C@@H]21 ZINC000257307567 568714621 /nfs/dbraw/zinc/71/46/21/568714621.db2.gz SZGPQVLHWYEEJB-NZQKXSOJSA-N 1 1 428.573 3.266 40 0 IGABMO Cn1c(=O)c2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)nc2n(Cc2ccccc2)c1=O ZINC000257319609 568719617 /nfs/dbraw/zinc/71/96/17/568719617.db2.gz VTGQZDQBJWEEIF-QHCPKHFHSA-N 1 1 441.535 3.266 40 0 IGABMO Cn1c(=O)c2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)nc2n(Cc2ccccc2)c1=O ZINC000257319609 568719619 /nfs/dbraw/zinc/71/96/19/568719619.db2.gz VTGQZDQBJWEEIF-QHCPKHFHSA-N 1 1 441.535 3.266 40 0 IGABMO Cc1cc(C)cc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133390 568767959 /nfs/dbraw/zinc/76/79/59/568767959.db2.gz MKBKOLOQFVZTGD-VPUSJEBWSA-N 1 1 442.563 3.491 40 0 IGABMO CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CC[NH+](C)CC3)n2)on1 ZINC000203005669 568788740 /nfs/dbraw/zinc/78/87/40/568788740.db2.gz ALKJNCZNEOTEMP-UHFFFAOYSA-N 1 1 437.552 3.296 40 0 in-man IGABMO Cc1nn2cnnc2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198519 568921567 /nfs/dbraw/zinc/92/15/67/568921567.db2.gz BFAURSZAVUNUMG-LNGMVNIQSA-N 1 1 434.588 3.095 40 0 IGABMO CCCc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1 ZINC000247938921 569206471 /nfs/dbraw/zinc/20/64/71/569206471.db2.gz MGBAIOHIBLFTJH-HYBUGGRVSA-N 1 1 438.572 3.459 40 0 IGABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253499222 569208689 /nfs/dbraw/zinc/20/86/89/569208689.db2.gz RDVJMIQJPVMQAV-UGKGYDQZSA-N 1 1 433.560 3.220 40 0 IGABMO O=C([C@@H]1CC=CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343607 569226454 /nfs/dbraw/zinc/22/64/54/569226454.db2.gz DQOYQWZNYMWPOF-MSOLQXFVSA-N 1 1 438.597 3.452 40 0 IGABMO C[C@H](CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000019455888 569226570 /nfs/dbraw/zinc/22/65/70/569226570.db2.gz AXWIDKGJOYRIDG-IFMALSPDSA-N 1 1 436.600 3.411 40 0 IGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019590210 569227321 /nfs/dbraw/zinc/22/73/21/569227321.db2.gz ALSBKKQFVFBFLU-NZQKXSOJSA-N 1 1 434.584 3.438 40 0 IGABMO COCCOc1cccc(C[N@H+]2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019695054 569229558 /nfs/dbraw/zinc/22/95/58/569229558.db2.gz ITNNJEJRTQXVEW-LJQANCHMSA-N 1 1 434.544 3.014 40 0 IGABMO CC[N@@H+](CC(=O)N1CCC1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712703 569235541 /nfs/dbraw/zinc/23/55/41/569235541.db2.gz MUWPRAYFMPBASD-MOPGFXCFSA-N 1 1 428.558 3.170 40 0 IGABMO 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1 1 430.467 3.331 40 0 IGABMO COc1cc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc(OC)c1 ZINC000257291411 568707286 /nfs/dbraw/zinc/70/72/86/568707286.db2.gz QGWBGPHPRIWCPE-IBGZPJMESA-N 1 1 426.561 3.167 40 0 IGABMO COc1c(C)cccc1C[N@H+]1Cc2cn(C)nc2[C@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000257293219 568708125 /nfs/dbraw/zinc/70/81/25/568708125.db2.gz QOPMTLJFYWCOHR-JOCHJYFZSA-N 1 1 436.531 3.335 40 0 IGABMO COc1c(C)cccc1C[N@@H+]1Cc2cn(C)nc2[C@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000257293219 568708128 /nfs/dbraw/zinc/70/81/28/568708128.db2.gz QOPMTLJFYWCOHR-JOCHJYFZSA-N 1 1 436.531 3.335 40 0 IGABMO Cn1c(=O)oc2cc(NC(=O)C[N@@H+]3CCOC[C@H](Cc4cccc5occc54)C3)ccc21 ZINC000257307808 568714523 /nfs/dbraw/zinc/71/45/23/568714523.db2.gz TUEXNORVQBKBRF-MRXNPFEDSA-N 1 1 435.480 3.007 40 0 IGABMO Cn1c(=O)oc2cc(NC(=O)C[N@H+]3CCOC[C@H](Cc4cccc5occc54)C3)ccc21 ZINC000257307808 568714526 /nfs/dbraw/zinc/71/45/26/568714526.db2.gz TUEXNORVQBKBRF-MRXNPFEDSA-N 1 1 435.480 3.007 40 0 IGABMO COc1ccc(-c2cncc([C@@H]3CN(C(=O)C[N@@H+]4CCc5ccccc5C4)CCO3)n2)cc1 ZINC000257312122 568716250 /nfs/dbraw/zinc/71/62/50/568716250.db2.gz UMPAMFIEVQCLPG-VWLOTQADSA-N 1 1 444.535 3.110 40 0 IGABMO COc1ccc(-c2cncc([C@@H]3CN(C(=O)C[N@H+]4CCc5ccccc5C4)CCO3)n2)cc1 ZINC000257312122 568716252 /nfs/dbraw/zinc/71/62/52/568716252.db2.gz UMPAMFIEVQCLPG-VWLOTQADSA-N 1 1 444.535 3.110 40 0 IGABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)[C@H]1CCCC(=O)N2 ZINC000257312368 568716488 /nfs/dbraw/zinc/71/64/88/568716488.db2.gz UNOZJEHRUYTKNU-SEIBCYHCSA-N 1 1 449.551 3.141 40 0 IGABMO C[N@H+]1CCN(C(=O)c2ccnc(-c3cncnc3)c2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257337604 568727645 /nfs/dbraw/zinc/72/76/45/568727645.db2.gz YTNCEJHEHZTAAN-LJQANCHMSA-N 1 1 438.535 3.333 40 0 IGABMO COc1ccc(CN2C[C@@]3(CC[N@H+](C4CCC4)C3)Oc3ccccc3S2(=O)=O)cc1 ZINC000306135822 568769116 /nfs/dbraw/zinc/76/91/16/568769116.db2.gz PCBLVFHLYHELBI-QHCPKHFHSA-N 1 1 428.554 3.276 40 0 IGABMO Cc1ncsc1C[N@H+]1CC[C@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@H]12 ZINC000306141006 568772030 /nfs/dbraw/zinc/77/20/30/568772030.db2.gz VIQMDTKLBFKSNL-RDPSFJRHSA-N 1 1 448.596 3.094 40 0 IGABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103507478 568897083 /nfs/dbraw/zinc/89/70/83/568897083.db2.gz CAJNLWNSIOWMER-JKPKGCNWSA-N 1 1 449.938 3.494 40 0 IGABMO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)[nH]n1 ZINC000257198969 568921660 /nfs/dbraw/zinc/92/16/60/568921660.db2.gz NNOIQBMRUQNVGM-WGWURMLHSA-N 1 1 434.588 3.462 40 0 IGABMO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)n[nH]1 ZINC000257198969 568921662 /nfs/dbraw/zinc/92/16/62/568921662.db2.gz NNOIQBMRUQNVGM-WGWURMLHSA-N 1 1 434.588 3.462 40 0 IGABMO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)n[nH]1 ZINC000257198969 568921664 /nfs/dbraw/zinc/92/16/64/568921664.db2.gz NNOIQBMRUQNVGM-WGWURMLHSA-N 1 1 434.588 3.462 40 0 IGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cc(C)ccc4OC)C[C@H]32)c(OCC)n1 ZINC000247937826 569206557 /nfs/dbraw/zinc/20/65/57/569206557.db2.gz SXPYBZZQDYHDFU-WPSZSDGUSA-N 1 1 427.545 3.321 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000247918219 569206586 /nfs/dbraw/zinc/20/65/86/569206586.db2.gz WUTHUAUABDRREL-WOJBJXKFSA-N 1 1 448.567 3.421 40 0 IGABMO O=C(C[C@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019014640 569226078 /nfs/dbraw/zinc/22/60/78/569226078.db2.gz BDBTVIJBCFUENB-NQIIRXRSSA-N 1 1 428.577 3.496 40 0 IGABMO CC[N@H+]1CC[C@@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@@H](C)C1 ZINC000019527035 569226845 /nfs/dbraw/zinc/22/68/45/569226845.db2.gz KSIYVZAIKRPLAT-AZUAARDMSA-N 1 1 435.634 3.207 40 0 IGABMO CCn1nc(C)c(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)NCCOC)C2)c1C ZINC000019702621 569232247 /nfs/dbraw/zinc/23/22/47/569232247.db2.gz FEIHPTKDYIEEPE-QGZVFWFLSA-N 1 1 441.601 3.495 40 0 IGABMO CN(CCO)C(=O)c1cc([C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc21 ZINC000019754317 569328578 /nfs/dbraw/zinc/32/85/78/569328578.db2.gz CLIDPWYAGRZINS-VWLOTQADSA-N 1 1 444.535 3.354 40 0 IGABMO CN(CCO)C(=O)c1cc([C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc21 ZINC000019754317 569328579 /nfs/dbraw/zinc/32/85/79/569328579.db2.gz CLIDPWYAGRZINS-VWLOTQADSA-N 1 1 444.535 3.354 40 0 IGABMO COC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000242495362 569396313 /nfs/dbraw/zinc/39/63/13/569396313.db2.gz GDAWVYQNHOEKME-ZACQAIPSSA-N 1 1 430.751 3.386 40 0 IGABMO CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@H+]2CCc3ccccc3C2)cc1 ZINC000008636220 291355801 /nfs/dbraw/zinc/35/58/01/291355801.db2.gz GNBYPYURLYHSMX-LLZJGCNPSA-N 1 1 432.612 3.251 40 0 biogenic,in-vitro IGABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)n2)cn1 ZINC000035425236 523963233 /nfs/dbraw/zinc/96/32/33/523963233.db2.gz STOJHYWGBBOOKS-FQEVSTJZSA-N 1 1 436.516 3.485 40 0 biogenic,in-vitro IGABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(NC(C)=O)cc3)n2)cn1 ZINC000035425236 523963237 /nfs/dbraw/zinc/96/32/37/523963237.db2.gz STOJHYWGBBOOKS-FQEVSTJZSA-N 1 1 436.516 3.485 40 0 biogenic,in-vitro IGABMO COc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035310844 524802550 /nfs/dbraw/zinc/80/25/50/524802550.db2.gz GPOIFBSKJCWJAD-XMMPIXPASA-N 1 1 444.539 3.230 40 0 IGABMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 ZINC000072345579 527044523 /nfs/dbraw/zinc/04/45/23/527044523.db2.gz CPKRQHZKRVCWAT-OAQYLSRUSA-N 1 1 438.572 3.424 40 0 IGABMO COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030943057 556516522 /nfs/dbraw/zinc/51/65/22/556516522.db2.gz IBLJTPUETWTJDG-INIZCTEOSA-N 1 1 430.476 3.480 40 0 IGABMO O[C@@H]1C[C@H]2C[N@@H+](CCc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514289277 556625479 /nfs/dbraw/zinc/62/54/79/556625479.db2.gz KRJPWYODPKGWDH-XZOQPEGZSA-N 1 1 445.529 3.253 40 0 biogenic,in-vitro IGABMO O[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290442 556626571 /nfs/dbraw/zinc/62/65/71/556626571.db2.gz ZWPLBWPOSFFEPT-FGZHOGPDSA-N 1 1 431.502 3.211 40 0 biogenic,in-vitro IGABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)[N@@H+]2C1 ZINC000514290442 556626573 /nfs/dbraw/zinc/62/65/73/556626573.db2.gz ZWPLBWPOSFFEPT-FGZHOGPDSA-N 1 1 431.502 3.211 40 0 biogenic,in-vitro IGABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)[N@H+]2C1 ZINC000514290442 556626575 /nfs/dbraw/zinc/62/65/75/556626575.db2.gz ZWPLBWPOSFFEPT-FGZHOGPDSA-N 1 1 431.502 3.211 40 0 biogenic,in-vitro IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000044850299 556670512 /nfs/dbraw/zinc/67/05/12/556670512.db2.gz LIKOCJRXIJXAIY-UHFFFAOYSA-N 1 1 446.960 3.225 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000044902758 556678455 /nfs/dbraw/zinc/67/84/55/556678455.db2.gz QFIUZVFPZKYXKH-QHCPKHFHSA-N 1 1 449.661 3.308 40 0 IGABMO Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CC[NH+](CC(=O)NCC4CC4)CC3)c12 ZINC000045188557 556685529 /nfs/dbraw/zinc/68/55/29/556685529.db2.gz HDTOSKAGTJSXCH-UHFFFAOYSA-N 1 1 447.583 3.466 40 0 IGABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@H+](CC(=O)N3CCC(C)CC3)C2)on1 ZINC000019124121 556702573 /nfs/dbraw/zinc/70/25/73/556702573.db2.gz HNLLVVNCPKSPCI-LJQANCHMSA-N 1 1 436.560 3.439 40 0 IGABMO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)cc1 ZINC000019135358 556705758 /nfs/dbraw/zinc/70/57/58/556705758.db2.gz WWLTWCAYIMUXAJ-QFIPXVFZSA-N 1 1 429.524 3.009 40 0 IGABMO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000019135358 556705759 /nfs/dbraw/zinc/70/57/59/556705759.db2.gz WWLTWCAYIMUXAJ-QFIPXVFZSA-N 1 1 429.524 3.009 40 0 IGABMO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCC[NH+]3CCOCC3)CCCO2)c1 ZINC000257334641 556706311 /nfs/dbraw/zinc/70/63/11/556706311.db2.gz YGTTTWFHKDVINI-SANMLTNESA-N 1 1 438.568 3.292 40 0 IGABMO COc1ccc(C[N@@H+](C)[C@@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]2O)cc1 ZINC000257223490 556708138 /nfs/dbraw/zinc/70/81/38/556708138.db2.gz DXOGSCYFTGMRQI-CLJLJLNGSA-N 1 1 433.552 3.346 40 0 IGABMO COc1ccc(CN(C)[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]2O)cc1 ZINC000257223490 556708142 /nfs/dbraw/zinc/70/81/42/556708142.db2.gz DXOGSCYFTGMRQI-CLJLJLNGSA-N 1 1 433.552 3.346 40 0 IGABMO COc1ccc(CN(C)[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]2O)cc1 ZINC000257223490 556708145 /nfs/dbraw/zinc/70/81/45/556708145.db2.gz DXOGSCYFTGMRQI-CLJLJLNGSA-N 1 1 433.552 3.346 40 0 IGABMO Cc1ccc(-c2n[nH]c(C3CC[NH+](CC(=O)Nc4ccc5c(c4)OCCO5)CC3)n2)cc1 ZINC000019212994 556710816 /nfs/dbraw/zinc/71/08/16/556710816.db2.gz YUMQKAVJNWVBOS-UHFFFAOYSA-N 1 1 433.512 3.369 40 0 IGABMO Cc1c(C)n(C[C@@H](O)C[N@H+](C)Cc2ccc(OCCOCCO)cc2)c2ccccc12 ZINC000257270884 556713848 /nfs/dbraw/zinc/71/38/48/556713848.db2.gz MWAGNCMBUHBTEX-QFIPXVFZSA-N 1 1 426.557 3.139 40 0 IGABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ccccc1OC(F)F ZINC000257296380 556716791 /nfs/dbraw/zinc/71/67/91/556716791.db2.gz RCONOPGJKCNMAQ-URXFXBBRSA-N 1 1 445.510 3.328 40 0 IGABMO COc1cc(C[N@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cc(OC)c1OC ZINC000019236377 556721206 /nfs/dbraw/zinc/72/12/06/556721206.db2.gz DALMHTHBOKLRTK-UQBPGWFLSA-N 1 1 439.556 3.444 40 0 IGABMO c1csc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2ccc3c(c2)OCO3)n1 ZINC000019346379 556742891 /nfs/dbraw/zinc/74/28/91/556742891.db2.gz GWHOMPAEKUDGEW-UHFFFAOYSA-N 1 1 425.514 3.130 40 0 IGABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000096402883 556760397 /nfs/dbraw/zinc/76/03/97/556760397.db2.gz QJSXYMDBXXURBE-BILGYAHESA-N 1 1 429.520 3.149 40 0 IGABMO CCN1CC[N@H+](Cc2c(C)nn(C)c2OC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527753 556787500 /nfs/dbraw/zinc/78/75/00/556787500.db2.gz WRJCSPYWSGWIQZ-QFIPXVFZSA-N 1 1 447.583 3.322 40 0 IGABMO CCN1CC[N@@H+](Cc2c(C)nn(C)c2OC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527753 556787502 /nfs/dbraw/zinc/78/75/02/556787502.db2.gz WRJCSPYWSGWIQZ-QFIPXVFZSA-N 1 1 447.583 3.322 40 0 IGABMO Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)cnn1C ZINC000019553342 556797172 /nfs/dbraw/zinc/79/71/72/556797172.db2.gz CFLVDXMIPGADPX-OAQYLSRUSA-N 1 1 438.576 3.282 40 0 IGABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)Cc3cccc(F)c3)CC2)n(C)n1 ZINC000019562473 556803809 /nfs/dbraw/zinc/80/38/09/556803809.db2.gz GZKWJMBZBTUABA-UHFFFAOYSA-N 1 1 427.549 3.314 40 0 IGABMO COc1cccc(C[N@H+]2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)c1 ZINC000019565180 556805880 /nfs/dbraw/zinc/80/58/80/556805880.db2.gz MWTBWQHPYRDJKI-HSZRJFAPSA-N 1 1 448.571 3.278 40 0 IGABMO Cc1c(C(=O)NC2CCCC2)sc2nc3n(c(=O)c12)CC[N@H+](Cc1ccccc1)CC3 ZINC000019565178 556805919 /nfs/dbraw/zinc/80/59/19/556805919.db2.gz NIWXMZSRFOEUAT-UHFFFAOYSA-N 1 1 436.581 3.497 40 0 IGABMO Cc1c(C(=O)NC2CCCC2)sc2nc3n(c(=O)c12)CC[N@@H+](Cc1ccccc1)CC3 ZINC000019565178 556805920 /nfs/dbraw/zinc/80/59/20/556805920.db2.gz NIWXMZSRFOEUAT-UHFFFAOYSA-N 1 1 436.581 3.497 40 0 IGABMO C[NH+]1CCN(Cc2ccc(C(=O)NC3CCC4(CC3)CC(=O)c3ccccc3O4)o2)CC1 ZINC000019590069 556824810 /nfs/dbraw/zinc/82/48/10/556824810.db2.gz XOAQXXNLFTWUBQ-UHFFFAOYSA-N 1 1 437.540 3.104 40 0 IGABMO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccc(F)cc3)nc2)cn1 ZINC000019691803 556847337 /nfs/dbraw/zinc/84/73/37/556847337.db2.gz CYOZPFUEASEYGV-JOCHJYFZSA-N 1 1 433.487 3.418 40 0 IGABMO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[N@H+]3CC(=O)Nc3ccc(F)cc3)nc2)cn1 ZINC000019691803 556847342 /nfs/dbraw/zinc/84/73/42/556847342.db2.gz CYOZPFUEASEYGV-JOCHJYFZSA-N 1 1 433.487 3.418 40 0 IGABMO CNc1nc([C@@H]2CCC[N@@H+]2C)nc2c1CCN(C(=O)c1cc(-c3ccc(F)cc3)no1)C2 ZINC000019707498 556867439 /nfs/dbraw/zinc/86/74/39/556867439.db2.gz BTPXNZBSIGLERK-IBGZPJMESA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@@H]2CCC[N@H+]2C)nc2c1CCN(C(=O)c1cc(-c3ccc(F)cc3)no1)C2 ZINC000019707498 556867443 /nfs/dbraw/zinc/86/74/43/556867443.db2.gz BTPXNZBSIGLERK-IBGZPJMESA-N 1 1 436.491 3.278 40 0 IGABMO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1ccccc1N1CCCC1)C2 ZINC000019708511 556869209 /nfs/dbraw/zinc/86/92/09/556869209.db2.gz PPHZAHCMLQTHDB-NRFANRHFSA-N 1 1 448.615 3.403 40 0 IGABMO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1ccccc1N1CCCC1)C2 ZINC000019708511 556869213 /nfs/dbraw/zinc/86/92/13/556869213.db2.gz PPHZAHCMLQTHDB-NRFANRHFSA-N 1 1 448.615 3.403 40 0 IGABMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764090 556908779 /nfs/dbraw/zinc/90/87/79/556908779.db2.gz DGPGYNDYOKIYJI-QGZVFWFLSA-N 1 1 432.927 3.430 40 0 IGABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764090 556908781 /nfs/dbraw/zinc/90/87/81/556908781.db2.gz DGPGYNDYOKIYJI-QGZVFWFLSA-N 1 1 432.927 3.430 40 0 IGABMO Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3nc4c(c(N5CCOCC5)n3)CCCC4)CC2)cc1 ZINC000072339511 556911735 /nfs/dbraw/zinc/91/17/35/556911735.db2.gz IARWLSTXCFSPNO-XMMPIXPASA-N 1 1 434.584 3.323 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340265 556912147 /nfs/dbraw/zinc/91/21/47/556912147.db2.gz UHLYUMFZFNWZRR-MUNBIWSKSA-N 1 1 426.557 3.046 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000072373102 556945295 /nfs/dbraw/zinc/94/52/95/556945295.db2.gz WBWDNJZROYXUKM-PKTZIBPZSA-N 1 1 448.611 3.240 40 0 IGABMO COc1cc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)ccc1OCC(N)=O ZINC000072376409 556954711 /nfs/dbraw/zinc/95/47/11/556954711.db2.gz BJSUATMUUUXYFM-IBGZPJMESA-N 1 1 448.527 3.133 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)ccc1OCC(N)=O ZINC000072376409 556954715 /nfs/dbraw/zinc/95/47/15/556954715.db2.gz BJSUATMUUUXYFM-IBGZPJMESA-N 1 1 448.527 3.133 40 0 IGABMO Cc1cc(C[N@H+]2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)c(C)n1C[C@H]1CCCO1 ZINC000072389583 556959657 /nfs/dbraw/zinc/95/96/57/556959657.db2.gz HVBOCUMJMIUQOW-LAUBAEHRSA-N 1 1 439.604 3.162 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc(OC)c1OC ZINC000072395321 556966697 /nfs/dbraw/zinc/96/66/97/556966697.db2.gz JMEXBZNPJGXFMV-AWEZNQCLSA-N 1 1 433.459 3.467 40 0 IGABMO Cc1cc(C[N@H+]2CCc3nc(C4CCN(C(=O)c5ccncc5)CC4)[nH]c(=O)c3C2)cs1 ZINC000072398968 556971264 /nfs/dbraw/zinc/97/12/64/556971264.db2.gz CZCBNSLHWAWBTC-UHFFFAOYSA-N 1 1 449.580 3.113 40 0 IGABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409221113 557016454 /nfs/dbraw/zinc/01/64/54/557016454.db2.gz LAQOANQRTQTGOW-UHFFFAOYSA-N 1 1 433.961 3.289 40 0 IGABMO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000216249347 557140921 /nfs/dbraw/zinc/14/09/21/557140921.db2.gz BGTATPUVDXEKNH-OYRHEFFESA-N 1 1 449.661 3.021 40 0 IGABMO COCCn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c1c1ccccc1n2C(C)C ZINC000096037330 557164455 /nfs/dbraw/zinc/16/44/55/557164455.db2.gz OVAKAHZCWDRCCG-UHFFFAOYSA-N 1 1 426.561 3.275 40 0 IGABMO O=C(NCCC[NH+]1CCOCC1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096038081 557165776 /nfs/dbraw/zinc/16/57/76/557165776.db2.gz GKZCAOCLSKQRPB-UHFFFAOYSA-N 1 1 429.524 3.244 40 0 IGABMO Cc1cc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](CC5CC5)CCN4C(C)C)n3c2)ccn1 ZINC000096088398 557168889 /nfs/dbraw/zinc/16/88/89/557168889.db2.gz TUOGCNXUGQEOSA-NRFANRHFSA-N 1 1 433.560 3.162 40 0 IGABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Nc3cccc(OC)c3)CC[C@@H]12 ZINC000096145320 557174679 /nfs/dbraw/zinc/17/46/79/557174679.db2.gz HAHYMBSSWBZQTJ-ZJSXRUAMSA-N 1 1 437.544 3.437 40 0 IGABMO Cc1nc(Cn2cc(-c3nc(C(=O)N4CCC[N@H+](C)CC4)c4ccccn43)nc2C)cs1 ZINC000096155123 557179408 /nfs/dbraw/zinc/17/94/08/557179408.db2.gz HTGXQRJDBCCQKW-UHFFFAOYSA-N 1 1 449.584 3.097 40 0 IGABMO Cc1ccc(C(=O)N2CCC3(C[C@H](CC(=O)N4CC[NH+](C)CC4)c4ccccc43)CC2)o1 ZINC000096242245 557186241 /nfs/dbraw/zinc/18/62/41/557186241.db2.gz ZVMGQBUXMWJUBL-FQEVSTJZSA-N 1 1 435.568 3.413 40 0 IGABMO Cc1cc(C)c(C)c(OC[C@@]2(O)COCCN(Cc3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000585284309 557224108 /nfs/dbraw/zinc/22/41/08/557224108.db2.gz WRVCIQOYPYJBNK-SANMLTNESA-N 1 1 442.600 3.195 40 0 IGABMO Cc1cc2cc(C[N@@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498940 557328229 /nfs/dbraw/zinc/32/82/29/557328229.db2.gz CCKQLIQVBJUSSS-OAQYLSRUSA-N 1 1 440.592 3.468 40 0 IGABMO Cc1cc2cc(C[N@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498940 557328232 /nfs/dbraw/zinc/32/82/32/557328232.db2.gz CCKQLIQVBJUSSS-OAQYLSRUSA-N 1 1 440.592 3.468 40 0 IGABMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]2CCCO2)c1OC ZINC000013993255 557400990 /nfs/dbraw/zinc/40/09/90/557400990.db2.gz ANSJBBMDDBAHPC-IBGZPJMESA-N 1 1 425.529 3.075 40 0 IGABMO COc1cccc(C[N@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]2CCCO2)c1OC ZINC000013993255 557400993 /nfs/dbraw/zinc/40/09/93/557400993.db2.gz ANSJBBMDDBAHPC-IBGZPJMESA-N 1 1 425.529 3.075 40 0 IGABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 ZINC000224185908 557572512 /nfs/dbraw/zinc/57/25/12/557572512.db2.gz AOPVIVAUOCLZEP-QGZVFWFLSA-N 1 1 435.615 3.425 40 0 IGABMO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1Br ZINC000224732453 557645270 /nfs/dbraw/zinc/64/52/70/557645270.db2.gz QFKKGHBXSGBWDU-UHFFFAOYSA-N 1 1 433.346 3.285 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000260837139 557860279 /nfs/dbraw/zinc/86/02/79/557860279.db2.gz DNCRMYORRMWTKF-SFHVURJKSA-N 1 1 427.586 3.143 40 0 IGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288114 568619482 /nfs/dbraw/zinc/61/94/82/568619482.db2.gz WLFNVRBVZIZUII-MQNAVGNWSA-N 1 1 427.532 3.374 40 0 IGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000260910234 568629279 /nfs/dbraw/zinc/62/92/79/568629279.db2.gz XJNRDXLYTJZKJF-SFTDATJTSA-N 1 1 435.634 3.167 40 0 IGABMO COc1ccc(C[N@H+](C)CC(=O)N2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1 ZINC000257208230 568668865 /nfs/dbraw/zinc/66/88/65/568668865.db2.gz BLGSBNNWYSTODS-UHFFFAOYSA-N 1 1 446.555 3.462 40 0 IGABMO COc1ccc(C[N@@H+](C)CC(=O)N2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1 ZINC000257208230 568668866 /nfs/dbraw/zinc/66/88/66/568668866.db2.gz BLGSBNNWYSTODS-UHFFFAOYSA-N 1 1 446.555 3.462 40 0 IGABMO CCn1c2ccc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5ccc(C)cn5)CC[C@@H]4C3)cc2oc1=O ZINC000257224980 568676358 /nfs/dbraw/zinc/67/63/58/568676358.db2.gz FEGDRYPVNCEJEN-DBXWQHBBSA-N 1 1 434.540 3.457 40 0 IGABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2Cc1ccnc(N2CCOCC2)n1 ZINC000257249166 568688089 /nfs/dbraw/zinc/68/80/89/568688089.db2.gz JHCLSHGQHRJVHP-AMVJKZIMSA-N 1 1 447.627 3.372 40 0 IGABMO CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2Cc1ccnc(N2CCOCC2)n1 ZINC000257249166 568688090 /nfs/dbraw/zinc/68/80/90/568688090.db2.gz JHCLSHGQHRJVHP-AMVJKZIMSA-N 1 1 447.627 3.372 40 0 IGABMO CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2Cc1ccnc(N2CCOCC2)n1 ZINC000257249166 568688091 /nfs/dbraw/zinc/68/80/91/568688091.db2.gz JHCLSHGQHRJVHP-AMVJKZIMSA-N 1 1 447.627 3.372 40 0 IGABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306123279 568762602 /nfs/dbraw/zinc/76/26/02/568762602.db2.gz AIZCZRLDBGEELL-ZCYQVOJMSA-N 1 1 432.499 3.013 40 0 IGABMO COc1cccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128612 568765362 /nfs/dbraw/zinc/76/53/62/568765362.db2.gz HGDYZSZXUDCTPX-VPUSJEBWSA-N 1 1 443.547 3.487 40 0 IGABMO Cc1cc(C)cc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129389 568765766 /nfs/dbraw/zinc/76/57/66/568765766.db2.gz IBSSISUPRXXHKY-VPUSJEBWSA-N 1 1 442.563 3.491 40 0 IGABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC000306134252 568768261 /nfs/dbraw/zinc/76/82/61/568768261.db2.gz NHBCXDJTYQXQIX-OAQYLSRUSA-N 1 1 435.568 3.089 40 0 IGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccnc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306134812 568768758 /nfs/dbraw/zinc/76/87/58/568768758.db2.gz NYQIWMYXNWKSNZ-RDGATRHJSA-N 1 1 430.556 3.272 40 0 IGABMO Cn1cc(CN2CCC3(CC2)Oc2ccccc2-c2c3cnn2CC[NH+]2CCCC2)cn1 ZINC000306135067 568769002 /nfs/dbraw/zinc/76/90/02/568769002.db2.gz OGQBTGMTLAAPIU-UHFFFAOYSA-N 1 1 432.572 3.263 40 0 IGABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1 ZINC000306136503 568769464 /nfs/dbraw/zinc/76/94/64/568769464.db2.gz PVHPXWIFZNHELW-YADHBBJMSA-N 1 1 431.492 3.307 40 0 IGABMO O=C(NC1CCC1)c1nnc2n1C[C@H]1[N@H+](Cc3ccoc3)CC[C@@]1(c1ccccc1)CC2 ZINC000306141269 568771894 /nfs/dbraw/zinc/77/18/94/568771894.db2.gz VQIJEBGMADOFOU-PXDATVDWSA-N 1 1 431.540 3.312 40 0 IGABMO CCn1cc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143795 568773470 /nfs/dbraw/zinc/77/34/70/568773470.db2.gz YMMXJJSZLNRZDI-WIOPSUGQSA-N 1 1 447.587 3.094 40 0 IGABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000101342876 568782106 /nfs/dbraw/zinc/78/21/06/568782106.db2.gz QXYIDKKHZBJMFP-PEOGOYOCSA-N 1 1 442.302 3.425 40 0 IGABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101342876 568782108 /nfs/dbraw/zinc/78/21/08/568782108.db2.gz QXYIDKKHZBJMFP-PEOGOYOCSA-N 1 1 442.302 3.425 40 0 IGABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343191 568782155 /nfs/dbraw/zinc/78/21/55/568782155.db2.gz XRGXUDGPDOIAIG-FDGPYGQJSA-N 1 1 435.911 3.388 40 0 IGABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCN(C(=O)C[C@@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000247879849 569206326 /nfs/dbraw/zinc/20/63/26/569206326.db2.gz IKQQUMCOJXYOEM-QUCCMNQESA-N 1 1 448.567 3.421 40 0 IGABMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369981 569226625 /nfs/dbraw/zinc/22/66/25/569226625.db2.gz BHBSLIMPKSRXNY-FCHUYYIVSA-N 1 1 434.584 3.165 40 0 IGABMO CC(=O)NCc1ccc([C@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698783 569230162 /nfs/dbraw/zinc/23/01/62/569230162.db2.gz PDDYHLNKSUKLAF-RPWUZVMVSA-N 1 1 430.552 3.175 40 0 IGABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019702026 569231596 /nfs/dbraw/zinc/23/15/96/569231596.db2.gz RLSUQYISAMUFDK-MRXNPFEDSA-N 1 1 436.585 3.378 40 0 IGABMO CCn1c(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)nc2ccccc21 ZINC000019702222 569231777 /nfs/dbraw/zinc/23/17/77/569231777.db2.gz YFXHAMYOKKDSTI-MRXNPFEDSA-N 1 1 449.580 3.378 40 0 IGABMO CCn1c(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)nc2ccccc21 ZINC000019702222 569231779 /nfs/dbraw/zinc/23/17/79/569231779.db2.gz YFXHAMYOKKDSTI-MRXNPFEDSA-N 1 1 449.580 3.378 40 0 IGABMO Cn1cc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019702569 569232252 /nfs/dbraw/zinc/23/22/52/569232252.db2.gz QXCIUWVERZFSIF-MRXNPFEDSA-N 1 1 434.565 3.500 40 0 IGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cn1nc(C)cc1C ZINC000019763725 569238234 /nfs/dbraw/zinc/23/82/34/569238234.db2.gz CVXJILYJSPBYPH-HXUWFJFHSA-N 1 1 448.571 3.134 40 0 IGABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)n2)c1 ZINC000035425121 521749435 /nfs/dbraw/zinc/74/94/35/521749435.db2.gz DNHQKLPRYDTZRC-NRFANRHFSA-N 1 1 437.500 3.452 40 0 biogenic,in-vitro IGABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(NC(C)=O)cc3)n2)c1 ZINC000035425121 521749437 /nfs/dbraw/zinc/74/94/37/521749437.db2.gz DNHQKLPRYDTZRC-NRFANRHFSA-N 1 1 437.500 3.452 40 0 biogenic,in-vitro IGABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000100203966 555701867 /nfs/dbraw/zinc/70/18/67/555701867.db2.gz KMVDGLCFSARJAA-QSNWEANLSA-N 1 1 442.302 3.425 40 0 IGABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000100203966 555701871 /nfs/dbraw/zinc/70/18/71/555701871.db2.gz KMVDGLCFSARJAA-QSNWEANLSA-N 1 1 442.302 3.425 40 0 IGABMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000008955515 556236522 /nfs/dbraw/zinc/23/65/22/556236522.db2.gz VGEBQTXHXAHOKY-CTNGQTDRSA-N 1 1 447.560 3.491 40 0 IGABMO COc1cc(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc(OC)c1OC ZINC000012085367 556399078 /nfs/dbraw/zinc/39/90/78/556399078.db2.gz KIGKGCMFWIBDLT-HNNXBMFYSA-N 1 1 429.546 3.340 40 0 IGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000030873087 556514040 /nfs/dbraw/zinc/51/40/40/556514040.db2.gz ZZNJYOGQNBGOMC-UHFFFAOYSA-N 1 1 446.960 3.225 40 0 IGABMO CCOC(=O)C(C(=O)OCC)[C@H](c1ccc(OC)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000031659653 556525123 /nfs/dbraw/zinc/52/51/23/556525123.db2.gz QRFTWSHQQZLCBV-QHCPKHFHSA-N 1 1 440.540 3.301 40 0 IGABMO CC[NH+]1CCN(C(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1 ZINC000013682239 556557300 /nfs/dbraw/zinc/55/73/00/556557300.db2.gz QHAATJBKFGBPGW-UHFFFAOYSA-N 1 1 435.977 3.084 40 0 IGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000038754229 556616958 /nfs/dbraw/zinc/61/69/58/556616958.db2.gz LNNUQCKOHAQGDK-UHFFFAOYSA-N 1 1 446.960 3.225 40 0 IGABMO Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](CC2CCCCC2)CC3)on1 ZINC000019119907 556700853 /nfs/dbraw/zinc/70/08/53/556700853.db2.gz TVEUTDQWWDQFIG-HXUWFJFHSA-N 1 1 439.560 3.372 40 0 IGABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCc2cccc3c2OCO3)CC1 ZINC000257315610 556703934 /nfs/dbraw/zinc/70/39/34/556703934.db2.gz VCDIEMSLTUYMIH-XMMPIXPASA-N 1 1 444.503 3.121 40 0 IGABMO Cc1cc(OCC2(O)CC[NH+](CC(=O)NCCOc3ccccc3)CC2)cc(C)c1Cl ZINC000257337355 556706806 /nfs/dbraw/zinc/70/68/06/556706806.db2.gz YSLSRJLSUXIBFG-UHFFFAOYSA-N 1 1 446.975 3.358 40 0 IGABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1C ZINC000019214316 556711378 /nfs/dbraw/zinc/71/13/78/556711378.db2.gz WRMFSOHPFLHOTQ-OAQYLSRUSA-N 1 1 444.601 3.069 40 0 IGABMO C[N@H+]1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257285893 556715558 /nfs/dbraw/zinc/71/55/58/556715558.db2.gz PJISSXWQJMJLOH-FQEVSTJZSA-N 1 1 426.524 3.062 40 0 IGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 ZINC000019238689 556724066 /nfs/dbraw/zinc/72/40/66/556724066.db2.gz UYUBFIYIBCKXGX-LJQANCHMSA-N 1 1 435.553 3.070 40 0 IGABMO Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCC(C)CC3)[nH]c(=O)c2C1 ZINC000019239483 556725083 /nfs/dbraw/zinc/72/50/83/556725083.db2.gz JWKSJSCJWBHAFU-QRFVXNFXSA-N 1 1 435.572 3.387 40 0 IGABMO Cc1ncc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(-c4cccs4)ccc2=O)C3)cn1 ZINC000019287177 556728259 /nfs/dbraw/zinc/72/82/59/556728259.db2.gz GAYPYLZHWLSNEH-LIMIJEPZSA-N 1 1 437.569 3.018 40 0 IGABMO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccsc4)C3)[nH]c(=O)c2C1 ZINC000019342789 556740668 /nfs/dbraw/zinc/74/06/68/556740668.db2.gz ZIXMTVYFDBEUMQ-INIZCTEOSA-N 1 1 440.594 3.471 40 0 IGABMO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019343449 556741007 /nfs/dbraw/zinc/74/10/07/556741007.db2.gz BYBAZTMNGCTDQH-OAHLLOKOSA-N 1 1 440.594 3.471 40 0 IGABMO O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019401216 556753527 /nfs/dbraw/zinc/75/35/27/556753527.db2.gz VAYHYYXWHDCFJF-JOCHJYFZSA-N 1 1 435.572 3.010 40 0 IGABMO O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405379 556755240 /nfs/dbraw/zinc/75/52/40/556755240.db2.gz ZBJIDUCMINVMNG-OAQYLSRUSA-N 1 1 449.580 3.081 40 0 IGABMO O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405379 556755242 /nfs/dbraw/zinc/75/52/42/556755242.db2.gz ZBJIDUCMINVMNG-OAQYLSRUSA-N 1 1 449.580 3.081 40 0 IGABMO CC(C)c1nccn1CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000019454445 556764593 /nfs/dbraw/zinc/76/45/93/556764593.db2.gz ULCIVJVRXKFBIK-OAQYLSRUSA-N 1 1 428.552 3.164 40 0 IGABMO CC(C)c1nccn1CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000019454445 556764596 /nfs/dbraw/zinc/76/45/96/556764596.db2.gz ULCIVJVRXKFBIK-OAQYLSRUSA-N 1 1 428.552 3.164 40 0 IGABMO Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)cnn1C ZINC000019553345 556797334 /nfs/dbraw/zinc/79/73/34/556797334.db2.gz CFLVDXMIPGADPX-NRFANRHFSA-N 1 1 438.576 3.282 40 0 IGABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)Cc3ccccc3F)CC2)n(C)n1 ZINC000019562482 556803840 /nfs/dbraw/zinc/80/38/40/556803840.db2.gz NHEGYNROXOYPKT-UHFFFAOYSA-N 1 1 427.549 3.314 40 0 IGABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)[nH]c(=O)c2C1 ZINC000019570599 556810682 /nfs/dbraw/zinc/81/06/82/556810682.db2.gz HUGXMROWVOQRKB-ICSRJNTNSA-N 1 1 448.567 3.421 40 0 IGABMO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@H+](Cc2cccc(OC)c2)CCO1 ZINC000019591911 556827906 /nfs/dbraw/zinc/82/79/06/556827906.db2.gz DCMVYAQACQJJDH-SANMLTNESA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@@H+](Cc2cccc(OC)c2)CCO1 ZINC000019591911 556827909 /nfs/dbraw/zinc/82/79/09/556827909.db2.gz DCMVYAQACQJJDH-SANMLTNESA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)C[N@H+](Cc2ccc(OC)cc2)CCO1 ZINC000019591899 556827976 /nfs/dbraw/zinc/82/79/76/556827976.db2.gz YXULUNDWPXMTLJ-SANMLTNESA-N 1 1 431.536 3.317 40 0 IGABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)C[N@@H+](Cc2ccc(OC)cc2)CCO1 ZINC000019591899 556827979 /nfs/dbraw/zinc/82/79/79/556827979.db2.gz YXULUNDWPXMTLJ-SANMLTNESA-N 1 1 431.536 3.317 40 0 IGABMO Cc1cc(N2CCO[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)nc(C)[nH+]1 ZINC000019697644 556855279 /nfs/dbraw/zinc/85/52/79/556855279.db2.gz SGTMJAFMOBGRPH-GOSISDBHSA-N 1 1 438.553 3.358 40 0 IGABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(Cc3ccncc3)c3ccccc13)C(=O)CC2 ZINC000019703727 556862176 /nfs/dbraw/zinc/86/21/76/556862176.db2.gz MDSRJRZWAPNHOM-UHFFFAOYSA-N 1 1 440.551 3.424 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1ccccc1N1CCCC1)C2 ZINC000019707452 556867190 /nfs/dbraw/zinc/86/71/90/556867190.db2.gz OFPRRCONHLELLH-QHCPKHFHSA-N 1 1 434.588 3.360 40 0 IGABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1ccccc1N1CCCC1)C2 ZINC000019707452 556867194 /nfs/dbraw/zinc/86/71/94/556867194.db2.gz OFPRRCONHLELLH-QHCPKHFHSA-N 1 1 434.588 3.360 40 0 IGABMO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CC[N@H+](C)C2 ZINC000019708676 556869849 /nfs/dbraw/zinc/86/98/49/556869849.db2.gz RNDMWRULIRBXNN-FQEVSTJZSA-N 1 1 429.590 3.039 40 0 IGABMO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CC[N@@H+](C)C2 ZINC000019708676 556869853 /nfs/dbraw/zinc/86/98/53/556869853.db2.gz RNDMWRULIRBXNN-FQEVSTJZSA-N 1 1 429.590 3.039 40 0 IGABMO O=C(NCCO)c1cc([C@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)nc2ccccc21 ZINC000019761887 556905614 /nfs/dbraw/zinc/90/56/14/556905614.db2.gz TZMQUIACHNHAFS-IBGZPJMESA-N 1 1 426.520 3.495 40 0 IGABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2C)c1 ZINC000019763424 556908158 /nfs/dbraw/zinc/90/81/58/556908158.db2.gz RJEHJEBZAUCDKG-FQEVSTJZSA-N 1 1 431.540 3.498 40 0 IGABMO CCC(CC)C(=O)N1CCC[C@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2cccnc2)C1 ZINC000072338424 556911200 /nfs/dbraw/zinc/91/12/00/556911200.db2.gz ANSMAWICZQQAOW-NRFANRHFSA-N 1 1 436.604 3.433 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2[C@H](C)CCC[C@@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340246 556912098 /nfs/dbraw/zinc/91/20/98/556912098.db2.gz WMYGGAYMZUSKMD-XWUNIIEQSA-N 1 1 444.547 3.471 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2[C@H](C)CCC[C@@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340246 556912101 /nfs/dbraw/zinc/91/21/01/556912101.db2.gz WMYGGAYMZUSKMD-XWUNIIEQSA-N 1 1 444.547 3.471 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2[C@H](C)CCC[C@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340248 556912245 /nfs/dbraw/zinc/91/22/45/556912245.db2.gz WMYGGAYMZUSKMD-NHJOOWPOSA-N 1 1 444.547 3.471 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2[C@H](C)CCC[C@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340248 556912246 /nfs/dbraw/zinc/91/22/46/556912246.db2.gz WMYGGAYMZUSKMD-NHJOOWPOSA-N 1 1 444.547 3.471 40 0 IGABMO COC(=O)[C@]1(CC(=O)N2[C@H](C)CCC[C@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340245 556912292 /nfs/dbraw/zinc/91/22/92/556912292.db2.gz JDOCYYZOHHZWOL-OVTMVEJHSA-N 1 1 426.557 3.331 40 0 IGABMO COC(=O)[C@]1(CC(=O)N(C(C)C)C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340262 556912321 /nfs/dbraw/zinc/91/23/21/556912321.db2.gz SFSVXVVMGHUZDA-NMMYMHLASA-N 1 1 432.536 3.326 40 0 IGABMO COC(=O)[C@]1(CC(=O)N(C(C)C)C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340262 556912323 /nfs/dbraw/zinc/91/23/23/556912323.db2.gz SFSVXVVMGHUZDA-NMMYMHLASA-N 1 1 432.536 3.326 40 0 IGABMO CN1CCN(c2cc(C3CC[NH+](Cc4ccccc4F)CC3)nc(-c3cnccn3)n2)CC1 ZINC000072352939 556925444 /nfs/dbraw/zinc/92/54/44/556925444.db2.gz VWRZNJLCZBKPED-UHFFFAOYSA-N 1 1 447.562 3.204 40 0 IGABMO Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370557 556935425 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CAAGSLCAKCSMJP-AZUAARDMSA-N 1 1 434.544 3.315 40 0 IGABMO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020048295 556974125 /nfs/dbraw/zinc/97/41/25/556974125.db2.gz QBMHJFYZIKMESA-NRFANRHFSA-N 1 1 444.532 3.181 40 0 IGABMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000257262777 556989604 /nfs/dbraw/zinc/98/96/04/556989604.db2.gz LMWGXQPXGYDXCI-IFMALSPDSA-N 1 1 426.605 3.330 40 0 IGABMO CN(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3CC(=O)N3CCCC3)C2)c2ccccc21 ZINC000585101726 557034838 /nfs/dbraw/zinc/03/48/38/557034838.db2.gz BRKUQDRRFCGIIP-AREMUKBSSA-N 1 1 434.584 3.209 40 0 IGABMO CN(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3CC(=O)N3CCCC3)C2)c2ccccc21 ZINC000585101726 557034841 /nfs/dbraw/zinc/03/48/41/557034841.db2.gz BRKUQDRRFCGIIP-AREMUKBSSA-N 1 1 434.584 3.209 40 0 IGABMO COc1cccc2cc(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@@H+](CCC(C)C)C[C@@H]34)oc21 ZINC000585106000 557039250 /nfs/dbraw/zinc/03/92/50/557039250.db2.gz CADGDRSSOWJTQI-MOPGFXCFSA-N 1 1 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