smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCC1=CCCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019334254 202004219 /nfs/dbraw/zinc/00/42/19/202004219.db2.gz ZNJHVYUEUYXHNI-UHFFFAOYSA-N 1 2 328.456 3.139 50 0 EGAALO O=C(c1ccccc1F)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019347621 202006071 /nfs/dbraw/zinc/00/60/71/202006071.db2.gz QNDMOIQOUYMSOU-UHFFFAOYSA-N 1 2 332.806 3.437 50 0 EGAALO CCCCn1c2ccccc2n(C[C@@H](O)c2ccc(OC)cc2)c1=[NH2+] ZINC000019771532 202019078 /nfs/dbraw/zinc/01/90/78/202019078.db2.gz UOBHGWDXPJAOPA-LJQANCHMSA-N 1 2 339.439 3.465 50 0 EGAALO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019832066 202022694 /nfs/dbraw/zinc/02/26/94/202022694.db2.gz GCOYQDVZLLABPZ-UHFFFAOYSA-N 1 2 335.373 3.418 50 0 EGAALO FC(F)(F)c1ccccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000019832066 202022696 /nfs/dbraw/zinc/02/26/96/202022696.db2.gz GCOYQDVZLLABPZ-UHFFFAOYSA-N 1 2 335.373 3.418 50 0 EGAALO c1cc2c(s1)CC[N@@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000020996625 202061021 /nfs/dbraw/zinc/06/10/21/202061021.db2.gz KYRUUICVFGEMKA-UHFFFAOYSA-N 1 2 341.392 3.085 50 0 EGAALO c1cc2c(s1)CC[N@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000020996625 202061025 /nfs/dbraw/zinc/06/10/25/202061025.db2.gz KYRUUICVFGEMKA-UHFFFAOYSA-N 1 2 341.392 3.085 50 0 EGAALO OCC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1F ZINC000023145637 202098734 /nfs/dbraw/zinc/09/87/34/202098734.db2.gz WOBGDQDZWHLPSC-LJQANCHMSA-N 1 2 346.421 3.034 50 0 EGAALO OCC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1F ZINC000023145637 202098737 /nfs/dbraw/zinc/09/87/37/202098737.db2.gz WOBGDQDZWHLPSC-LJQANCHMSA-N 1 2 346.421 3.034 50 0 EGAALO OCC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1ccccc1F ZINC000023145637 202098739 /nfs/dbraw/zinc/09/87/39/202098739.db2.gz WOBGDQDZWHLPSC-LJQANCHMSA-N 1 2 346.421 3.034 50 0 EGAALO OCC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1ccccc1F ZINC000023145637 202098742 /nfs/dbraw/zinc/09/87/42/202098742.db2.gz WOBGDQDZWHLPSC-LJQANCHMSA-N 1 2 346.421 3.034 50 0 EGAALO OC1CC[NH+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000023192846 202100351 /nfs/dbraw/zinc/10/03/51/202100351.db2.gz MZNPJUPTGBKTQM-UHFFFAOYSA-N 1 2 349.434 3.207 50 0 EGAALO Cc1ccc([C@@H](CNC(=O)NC2CCCCC2)[NH+]2CCOCC2)cc1 ZINC000023105747 212348811 /nfs/dbraw/zinc/34/88/11/212348811.db2.gz GFJJMPYRCLDGNV-LJQANCHMSA-N 1 2 345.487 3.000 50 0 EGAALO Cc1ccc([C@H](C)NC(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000244601987 243044815 /nfs/dbraw/zinc/04/48/15/243044815.db2.gz DVSOIODBLXEVKQ-HNNXBMFYSA-N 1 2 348.450 3.148 50 0 EGAALO O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000244691665 243056621 /nfs/dbraw/zinc/05/66/21/243056621.db2.gz JGWVQIBGCYDWCY-YZGWKJHDSA-N 1 2 347.418 3.114 50 0 EGAALO O=C(c1ccc2[nH+]ccn2c1)N1CCC(Oc2ccccc2F)CC1 ZINC000244874631 243094538 /nfs/dbraw/zinc/09/45/38/243094538.db2.gz XEQYHUAAQJEYRI-UHFFFAOYSA-N 1 2 339.370 3.157 50 0 EGAALO [O-]C1=[NH+]CCN1CCn1cc[nH+]c1-c1cccc2c3ccccc3oc21 ZINC000071759282 203109255 /nfs/dbraw/zinc/10/92/55/203109255.db2.gz BSNJJAZXVYCBDA-UHFFFAOYSA-N 1 2 346.390 3.475 50 0 EGAALO Cc1ccc(-c2ccnc(NCCc3nc(C(C)C)no3)n2)c(C)[nH+]1 ZINC000071759248 203109612 /nfs/dbraw/zinc/10/96/12/203109612.db2.gz CDNADKAQNNONIZ-UHFFFAOYSA-N 1 2 338.415 3.316 50 0 EGAALO COc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H](C)c2ccon2)c(F)c1 ZINC000072481209 203232497 /nfs/dbraw/zinc/23/24/97/203232497.db2.gz IFSCOQVHNHZUEE-LLVKDONJSA-N 1 2 330.363 3.405 50 0 EGAALO COc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H](C)c2ccon2)c(F)c1 ZINC000072481209 203232499 /nfs/dbraw/zinc/23/24/99/203232499.db2.gz IFSCOQVHNHZUEE-LLVKDONJSA-N 1 2 330.363 3.405 50 0 EGAALO COc1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000076555376 203358353 /nfs/dbraw/zinc/35/83/53/203358353.db2.gz MOAMBSZDTFWYMP-HNNXBMFYSA-N 1 2 338.407 3.362 50 0 EGAALO COCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000077374939 203383469 /nfs/dbraw/zinc/38/34/69/203383469.db2.gz QJOFIVQQMUUZNP-UHFFFAOYSA-N 1 2 344.480 3.161 50 0 EGAALO CCO[C@H]1COC[C@@H]1n1cc[nH+]c1-c1cc2c(cc1OC)CCC2 ZINC000077420051 203387719 /nfs/dbraw/zinc/38/77/19/203387719.db2.gz MESFPPAEUVOSEK-WMZOPIPTSA-N 1 2 328.412 3.024 50 0 EGAALO O=C(c1cccs1)N1CCC[C@H](n2cc[nH+]c2-c2ccncc2)C1 ZINC000077519472 203392836 /nfs/dbraw/zinc/39/28/36/203392836.db2.gz YLQFUYQOHIADDS-HNNXBMFYSA-N 1 2 338.436 3.484 50 0 EGAALO O=C(c1cc(Cl)c[nH]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097413337 296170811 /nfs/dbraw/zinc/17/08/11/296170811.db2.gz BYQQTIOBOPFGKU-QPJJXVBHSA-N 1 2 329.831 3.139 50 0 EGAALO CCn1cc[nH+]c1CN1CCC[C@H](C(=O)c2cc(F)ccc2F)C1 ZINC000011663465 211230069 /nfs/dbraw/zinc/23/00/69/211230069.db2.gz QXWIGPPPCJRXGE-ZDUSSCGKSA-N 1 2 333.382 3.276 50 0 EGAALO O=C(CSc1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013056081 207282268 /nfs/dbraw/zinc/28/22/68/207282268.db2.gz NIUKKSWSWXPHQO-UHFFFAOYSA-N 1 2 347.871 3.176 50 0 EGAALO Cc1cc(-c2cccc(C(=O)N(C)Cc3nccn3C)c2)cc(C)[nH+]1 ZINC000426737357 257956598 /nfs/dbraw/zinc/95/65/98/257956598.db2.gz HITISBWAAPTRGA-UHFFFAOYSA-N 1 2 334.423 3.371 50 0 EGAALO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000055561942 132195981 /nfs/dbraw/zinc/19/59/81/132195981.db2.gz FGNYDWCEDNOZHF-UHFFFAOYSA-N 1 2 341.430 3.203 50 0 EGAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc2ncsc2c1 ZINC000055696683 161514483 /nfs/dbraw/zinc/51/44/83/161514483.db2.gz NMPANRRAVLOXND-UHFFFAOYSA-N 1 2 334.404 3.412 50 0 EGAALO COc1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000000181001 452529615 /nfs/dbraw/zinc/52/96/15/452529615.db2.gz GCXUJTLOSQKPCE-OAHLLOKOSA-N 1 2 326.396 3.102 50 0 EGAALO C[C@@H](c1ccccc1)N1C(=O)C[C@@H](Nc2ccc([NH+](C)C)cc2)C1=O ZINC000004810452 452818405 /nfs/dbraw/zinc/81/84/05/452818405.db2.gz WSMFIEWBGZUJSD-KBXCAEBGSA-N 1 2 337.423 3.053 50 0 EGAALO CCN(CC)c1[nH+]cccc1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000012195315 453348884 /nfs/dbraw/zinc/34/88/84/453348884.db2.gz GLPTXNSWEJMOAQ-UHFFFAOYSA-N 1 2 336.439 3.268 50 0 EGAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCC[C@@H](O)C4)n3)CCCC2)cc1 ZINC000012430651 453362934 /nfs/dbraw/zinc/36/29/34/453362934.db2.gz NPEPNTAQKWRPRD-QGZVFWFLSA-N 1 2 341.455 3.195 50 0 EGAALO Cc1ccc(C2(c3noc(C[N@H+]4CCC[C@@H](O)C4)n3)CCCC2)cc1 ZINC000012430651 453362937 /nfs/dbraw/zinc/36/29/37/453362937.db2.gz NPEPNTAQKWRPRD-QGZVFWFLSA-N 1 2 341.455 3.195 50 0 EGAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000024857680 453749762 /nfs/dbraw/zinc/74/97/62/453749762.db2.gz YVZVDJFCXFHTNL-KRWDZBQOSA-N 1 2 336.370 3.384 50 0 EGAALO COc1ccc2cc(C[N@H+](C)[C@@H](C)c3nccs3)c(=O)[nH]c2c1 ZINC000067447224 453932082 /nfs/dbraw/zinc/93/20/82/453932082.db2.gz TXSDOUJATWCMMR-NSHDSACASA-N 1 2 329.425 3.186 50 0 EGAALO COc1ccc2cc(C[N@@H+](C)[C@@H](C)c3nccs3)c(=O)[nH]c2c1 ZINC000067447224 453932083 /nfs/dbraw/zinc/93/20/83/453932083.db2.gz TXSDOUJATWCMMR-NSHDSACASA-N 1 2 329.425 3.186 50 0 EGAALO Cc1nn(C)c(Cl)c1CN1CCc2[nH+]c[nH]c2[C@H]1c1ccsc1 ZINC000067689205 453957688 /nfs/dbraw/zinc/95/76/88/453957688.db2.gz HVMGEXLUDCUKQZ-OAHLLOKOSA-N 1 2 347.875 3.314 50 0 EGAALO CC[C@H](c1nc(C)no1)n1cc[nH+]c1-c1ccc(-n2cccn2)cc1 ZINC000067868516 453975013 /nfs/dbraw/zinc/97/50/13/453975013.db2.gz NJNRZNDAKDGGDL-MRXNPFEDSA-N 1 2 334.383 3.427 50 0 EGAALO CN(Cc1ccoc1)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067973620 453985538 /nfs/dbraw/zinc/98/55/38/453985538.db2.gz TWKYGZMIJVMXML-UHFFFAOYSA-N 1 2 339.395 3.172 50 0 EGAALO CN(Cc1ccoc1)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067973620 453985543 /nfs/dbraw/zinc/98/55/43/453985543.db2.gz TWKYGZMIJVMXML-UHFFFAOYSA-N 1 2 339.395 3.172 50 0 EGAALO Cc1ccncc1C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067973550 453985792 /nfs/dbraw/zinc/98/57/92/453985792.db2.gz UWJHQMTVZGFOFM-UHFFFAOYSA-N 1 2 346.434 3.351 50 0 EGAALO COc1ccc(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OC ZINC000044891076 454124416 /nfs/dbraw/zinc/12/44/16/454124416.db2.gz CONRTIGNRGESCI-UHFFFAOYSA-N 1 2 325.368 3.070 50 0 EGAALO Cc1ccc2[nH+]c(CNC(=O)c3cc4cccc(C)c4n3C)cn2c1 ZINC000095370851 454199003 /nfs/dbraw/zinc/19/90/03/454199003.db2.gz IDXJTVRLOMKCCP-UHFFFAOYSA-N 1 2 332.407 3.373 50 0 EGAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)CCn2cc(Cl)cn2)C1 ZINC000095370334 454199391 /nfs/dbraw/zinc/19/93/91/454199391.db2.gz ZBILWHXLXCXUBY-CQSZACIVSA-N 1 2 349.866 3.110 50 0 EGAALO CCn1nc(C)c(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)c1C ZINC000095387118 454199936 /nfs/dbraw/zinc/19/99/36/454199936.db2.gz OIXZCUPJTOESLA-INIZCTEOSA-N 1 2 343.475 3.317 50 0 EGAALO c1nc2ccc(-c3noc([C@@H](c4cccnc4)[NH+]4CCCC4)n3)cc2[nH]1 ZINC000095388307 454200552 /nfs/dbraw/zinc/20/05/52/454200552.db2.gz FHRAXGJRZWRSKT-QGZVFWFLSA-N 1 2 346.394 3.193 50 0 EGAALO c1nc2cc(-c3noc([C@@H](c4cccnc4)[NH+]4CCCC4)n3)ccc2[nH]1 ZINC000095388307 454200558 /nfs/dbraw/zinc/20/05/58/454200558.db2.gz FHRAXGJRZWRSKT-QGZVFWFLSA-N 1 2 346.394 3.193 50 0 EGAALO CCc1ocnc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095499934 454222128 /nfs/dbraw/zinc/22/21/28/454222128.db2.gz JXOHGYKAODCHCD-OAHLLOKOSA-N 1 2 342.443 3.253 50 0 EGAALO CCCCNC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095509011 454225200 /nfs/dbraw/zinc/22/52/00/454225200.db2.gz AJNJUGPSXORLNQ-KRWDZBQOSA-N 1 2 341.459 3.016 50 0 EGAALO O=C(NCCc1ccccc1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000072151065 454273007 /nfs/dbraw/zinc/27/30/07/454273007.db2.gz ZSMKLYBNVSTUIY-SFHVURJKSA-N 1 2 326.444 3.080 50 0 EGAALO CC[NH+](CC)Cc1nnc2sc(CCCc3ccccc3)nn12 ZINC000061722162 454353545 /nfs/dbraw/zinc/35/35/45/454353545.db2.gz VNHUEEUQBOTJFB-UHFFFAOYSA-N 1 2 329.473 3.203 50 0 EGAALO Cc1csc([C@@H](C)N(C)C(=O)Cc2c[nH+]c3c(C)cccn23)n1 ZINC000097602500 454441591 /nfs/dbraw/zinc/44/15/91/454441591.db2.gz XASMMCGYPUABFW-CYBMUJFWSA-N 1 2 328.441 3.170 50 0 EGAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000091486464 454442634 /nfs/dbraw/zinc/44/26/34/454442634.db2.gz QAEIXZDLKGVQMV-CQSZACIVSA-N 1 2 346.406 3.080 50 0 EGAALO Cc1cccn2c(CNC(=O)c3ccc([C@@H]4CCCO4)s3)c[nH+]c12 ZINC000091677544 454456534 /nfs/dbraw/zinc/45/65/34/454456534.db2.gz OPLATMYYJOANSI-AWEZNQCLSA-N 1 2 341.436 3.486 50 0 EGAALO CCN(CC)S(=O)(=O)c1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000100429668 454465554 /nfs/dbraw/zinc/46/55/54/454465554.db2.gz BZZKPBZUSMUBCB-UHFFFAOYSA-N 1 2 343.452 3.063 50 0 EGAALO CCn1nc(NC(=O)Cn2c(C)[nH+]c3ccccc32)c2ccccc21 ZINC000048501689 454494102 /nfs/dbraw/zinc/49/41/02/454494102.db2.gz RSDYWRCYVYAELG-UHFFFAOYSA-N 1 2 333.395 3.353 50 0 EGAALO CC(C)c1cccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3)CC2)[nH+]1 ZINC000065393809 454558854 /nfs/dbraw/zinc/55/88/54/454558854.db2.gz OLJBUHZMBCBDMG-UHFFFAOYSA-N 1 2 339.439 3.225 50 0 EGAALO O=C(c1ccc(F)c(F)c1F)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000244970253 455278272 /nfs/dbraw/zinc/27/82/72/455278272.db2.gz HPPRMEOQSGEKJG-UHFFFAOYSA-N 1 2 336.313 3.183 50 0 EGAALO CCCOc1ccc([C@H](CC)NC(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000584886502 548099019 /nfs/dbraw/zinc/09/90/19/548099019.db2.gz VJKJRJYLRWNSNC-INIZCTEOSA-N 1 2 330.432 3.491 50 0 EGAALO O=C1OCc2ccc(-c3ccc(C[N@@H+]4CCc5nocc5C4)o3)cc21 ZINC000670455616 548217912 /nfs/dbraw/zinc/21/79/12/548217912.db2.gz ULARIYNYMVXOMO-UHFFFAOYSA-N 1 2 336.347 3.163 50 0 EGAALO O=C1OCc2ccc(-c3ccc(C[N@H+]4CCc5nocc5C4)o3)cc21 ZINC000670455616 548217917 /nfs/dbraw/zinc/21/79/17/548217917.db2.gz ULARIYNYMVXOMO-UHFFFAOYSA-N 1 2 336.347 3.163 50 0 EGAALO CCNC(=O)[C@H]1CCN(c2cc[nH+]c3c2cccc3C(F)(F)F)C1 ZINC001704325635 1416444760 /nfs/dbraw/zinc/44/47/60/1416444760.db2.gz RAGAAEKIVZBPRG-NSHDSACASA-N 1 2 337.345 3.216 50 0 EGAALO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1cnc2ccccc2n1 ZINC001704356496 1416454656 /nfs/dbraw/zinc/45/46/56/1416454656.db2.gz YFHOYWMRNPGMCS-UHFFFAOYSA-N 1 2 331.379 3.312 50 0 EGAALO C[N@@H+](Cc1cc(-c2cccnc2)no1)Cc1cnc2ccccc2n1 ZINC001704356496 1416454658 /nfs/dbraw/zinc/45/46/58/1416454658.db2.gz YFHOYWMRNPGMCS-UHFFFAOYSA-N 1 2 331.379 3.312 50 0 EGAALO CCc1ncc(C[N@@H+]2CCO[C@H](CCCc3ccccc3)C2)cn1 ZINC000019838011 202022350 /nfs/dbraw/zinc/02/23/50/202022350.db2.gz PTZJPFUOVOGDRG-LJQANCHMSA-N 1 2 325.456 3.263 50 0 EGAALO CCc1ncc(C[N@H+]2CCO[C@H](CCCc3ccccc3)C2)cn1 ZINC000019838011 202022353 /nfs/dbraw/zinc/02/23/53/202022353.db2.gz PTZJPFUOVOGDRG-LJQANCHMSA-N 1 2 325.456 3.263 50 0 EGAALO CSc1ccc(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000022027893 202077344 /nfs/dbraw/zinc/07/73/44/202077344.db2.gz ZXGZNKWEOFXMNQ-UHFFFAOYSA-N 1 2 340.492 3.387 50 0 EGAALO CN1CC[NH+](Cc2ccc(C(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000022027901 202077971 /nfs/dbraw/zinc/07/79/71/202077971.db2.gz QCSKJBREPSXYHS-UHFFFAOYSA-N 1 2 328.843 3.318 50 0 EGAALO COc1ccc(C2=[NH+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000000439561 201358234 /nfs/dbraw/zinc/35/82/34/201358234.db2.gz ICSPURBWGBIZCI-UHFFFAOYSA-N 1 2 327.380 3.115 50 0 biogenic EGAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(-c3ccccc3)nc1C)C2 ZINC000097198714 201380664 /nfs/dbraw/zinc/38/06/64/201380664.db2.gz AAEHSNLJMGZCKC-QGZVFWFLSA-N 1 2 346.434 3.307 50 0 EGAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccnc1Oc1ccccc1)C2 ZINC000097199218 201380945 /nfs/dbraw/zinc/38/09/45/201380945.db2.gz JUBJCCZLSNTFJM-OAHLLOKOSA-N 1 2 348.406 3.124 50 0 EGAALO Cc1n[nH]c(C2CC[NH+](Cc3nn(C)c4cccc(Cl)c34)CC2)n1 ZINC000215859699 241149637 /nfs/dbraw/zinc/14/96/37/241149637.db2.gz JRPBRFLOMJXBDW-UHFFFAOYSA-N 1 2 344.850 3.033 50 0 EGAALO Cc1nc(C2CC[NH+](Cc3nn(C)c4cccc(Cl)c34)CC2)n[nH]1 ZINC000215859699 241149638 /nfs/dbraw/zinc/14/96/38/241149638.db2.gz JRPBRFLOMJXBDW-UHFFFAOYSA-N 1 2 344.850 3.033 50 0 EGAALO Cc1nnc(C2CC[NH+](Cc3nn(C)c4cccc(Cl)c34)CC2)[nH]1 ZINC000215859699 241149640 /nfs/dbraw/zinc/14/96/40/241149640.db2.gz JRPBRFLOMJXBDW-UHFFFAOYSA-N 1 2 344.850 3.033 50 0 EGAALO OCc1ccc2c(c1)CN(Cc1c[nH+]cn1C1CCCCC1)CCO2 ZINC000244584401 243041386 /nfs/dbraw/zinc/04/13/86/243041386.db2.gz CYQGAZLBASOUNY-UHFFFAOYSA-N 1 2 341.455 3.275 50 0 EGAALO CC(C)c1noc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2nccs2)n1 ZINC000244608522 243043163 /nfs/dbraw/zinc/04/31/63/243043163.db2.gz FEDNIERKDQNPMG-GFCCVEGCSA-N 1 2 349.460 3.205 50 0 EGAALO CC(C)c1noc([C@H]2CCCC[N@H+]2CCC(=O)Nc2nccs2)n1 ZINC000244608522 243043171 /nfs/dbraw/zinc/04/31/71/243043171.db2.gz 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/nfs/dbraw/zinc/78/63/04/452786304.db2.gz DLDLSOFAOYSWKN-UHFFFAOYSA-N 1 2 332.473 3.316 50 0 EGAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NCc2cccnc2)cc1 ZINC000003912265 452787978 /nfs/dbraw/zinc/78/79/78/452787978.db2.gz RKMATJYZCLSGDP-UHFFFAOYSA-N 1 2 336.786 3.476 50 0 EGAALO CCc1ocnc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012052431 453341996 /nfs/dbraw/zinc/34/19/96/453341996.db2.gz GQBIPJXGFHBSPF-HNNXBMFYSA-N 1 2 347.846 3.285 50 0 EGAALO CCc1ocnc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012052431 453342002 /nfs/dbraw/zinc/34/20/02/453342002.db2.gz GQBIPJXGFHBSPF-HNNXBMFYSA-N 1 2 347.846 3.285 50 0 EGAALO O=C(Cn1cc[nH+]c1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000012316355 453354911 /nfs/dbraw/zinc/35/49/11/453354911.db2.gz HLHJSZHMZPUOOT-CQSZACIVSA-N 1 2 333.382 3.033 50 0 EGAALO O=C(NCCCn1cc[nH+]c1)c1ccccc1CCc1ccccc1 ZINC000013688435 453481511 /nfs/dbraw/zinc/48/15/11/453481511.db2.gz ZWELKNKZGNKDIU-UHFFFAOYSA-N 1 2 333.435 3.488 50 0 EGAALO C[C@@H]1CCc2sc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1 ZINC000013744868 453486521 /nfs/dbraw/zinc/48/65/21/453486521.db2.gz DIAAMVBLAXNYRZ-CQSZACIVSA-N 1 2 341.480 3.230 50 0 EGAALO CCn1nc(C)c(C[N@H+]2CC(=O)N(c3ccccc3C)[C@@H](C)C2)c1C ZINC000015007255 453550616 /nfs/dbraw/zinc/55/06/16/453550616.db2.gz FKSXANQTOBMSTI-HNNXBMFYSA-N 1 2 340.471 3.066 50 0 EGAALO CCn1nc(C)c(C[N@@H+]2CC(=O)N(c3ccccc3C)[C@@H](C)C2)c1C ZINC000015007255 453550619 /nfs/dbraw/zinc/55/06/19/453550619.db2.gz FKSXANQTOBMSTI-HNNXBMFYSA-N 1 2 340.471 3.066 50 0 EGAALO Cc1cccc(-c2nc3c4c5c(sc4ncn3n2)C[N@H+](C)CC5)c1 ZINC000020565745 453667098 /nfs/dbraw/zinc/66/70/98/453667098.db2.gz GVRFLNOFFIETNG-UHFFFAOYSA-N 1 2 335.436 3.302 50 0 EGAALO Cc1cccc(-c2nc3c4c5c(sc4ncn3n2)C[N@@H+](C)CC5)c1 ZINC000020565745 453667101 /nfs/dbraw/zinc/66/71/01/453667101.db2.gz GVRFLNOFFIETNG-UHFFFAOYSA-N 1 2 335.436 3.302 50 0 EGAALO Cc1ccc(NC(=O)C[C@H]2[NH2+]CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000038571093 453941295 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CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccccn2)C1 ZINC000095387880 454200783 /nfs/dbraw/zinc/20/07/83/454200783.db2.gz VCQJMMKMKODPOM-QGZVFWFLSA-N 1 2 340.471 3.417 50 0 EGAALO O=C(CCc1cccnc1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095526023 454227908 /nfs/dbraw/zinc/22/79/08/454227908.db2.gz LBVAGEJOVOXGDS-GOSISDBHSA-N 1 2 338.455 3.027 50 0 EGAALO COc1cc(Cl)cc2cc(C(=O)N3CCc4[nH]c[nH+]c4C3)oc21 ZINC000096137986 454291654 /nfs/dbraw/zinc/29/16/54/454291654.db2.gz VVVHADYNQJKMHJ-UHFFFAOYSA-N 1 2 331.759 3.016 50 0 EGAALO COc1cc(Cl)cc2cc(C(=O)N3CCc4[nH+]c[nH]c4C3)oc21 ZINC000096137986 454291657 /nfs/dbraw/zinc/29/16/57/454291657.db2.gz VVVHADYNQJKMHJ-UHFFFAOYSA-N 1 2 331.759 3.016 50 0 EGAALO Cc1ccc(N(C)C)cc1NC(=O)NCc1c[nH+]cn1CC(C)C ZINC000096138684 454292144 /nfs/dbraw/zinc/29/21/44/454292144.db2.gz BPYLUFAYSDVRGT-UHFFFAOYSA-N 1 2 329.448 3.235 50 0 EGAALO O=C(c1cccc(C(F)(F)F)c1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000062017585 454365015 /nfs/dbraw/zinc/36/50/15/454365015.db2.gz 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C[C@@H](CNC(=O)N1CCC2(CCc3ccccc32)CC1)n1cc[nH+]c1 ZINC000534591405 459335322 /nfs/dbraw/zinc/33/53/22/459335322.db2.gz KQFXTHVCKMYYGC-INIZCTEOSA-N 1 2 338.455 3.134 50 0 EGAALO Cc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1Cl ZINC000206731732 564014603 /nfs/dbraw/zinc/01/46/03/564014603.db2.gz FRKXJOUPSHNULB-UHFFFAOYSA-N 1 2 348.838 3.214 50 0 EGAALO O=C(Nc1cccc(-c2c[nH]cn2)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000952973413 1334627506 /nfs/dbraw/zinc/62/75/06/1334627506.db2.gz SVRUQYMYRMIKFW-MRXNPFEDSA-N 1 2 347.422 3.327 50 0 EGAALO Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3cccnc3)C2)c1 ZINC000097655560 219044252 /nfs/dbraw/zinc/04/42/52/219044252.db2.gz AMQYRYIDTVWUIZ-SFHVURJKSA-N 1 2 338.386 3.184 50 0 EGAALO Fc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3cccnc3)C2)c1 ZINC000097655560 219044255 /nfs/dbraw/zinc/04/42/55/219044255.db2.gz AMQYRYIDTVWUIZ-SFHVURJKSA-N 1 2 338.386 3.184 50 0 EGAALO COCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1F ZINC000055042552 214266898 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Cc1cc2[nH+]cn([C@@H]3CC(=O)N(c4ccccc4F)C3=O)c2cc1C ZINC000100637709 219103776 /nfs/dbraw/zinc/10/37/76/219103776.db2.gz RPRBSDDOOAJMCE-QGZVFWFLSA-N 1 2 337.354 3.297 50 0 EGAALO Cc1ccc(-n2ncc3c2ncnc3NCCCn2cc[nH+]c2)c(C)c1 ZINC000003912193 210093271 /nfs/dbraw/zinc/09/32/71/210093271.db2.gz PWGWVVNEIJVBET-UHFFFAOYSA-N 1 2 347.426 3.131 50 0 EGAALO O=C(Nc1c[nH+]c2n1CCCC2)c1cccc(OCC(F)(F)F)c1 ZINC000067654328 215175175 /nfs/dbraw/zinc/17/51/75/215175175.db2.gz AJSRPILIQFVVEL-UHFFFAOYSA-N 1 2 339.317 3.413 50 0 EGAALO Cc1cncc(NC(=O)c2cccc(C[N@H+](C)Cc3ccno3)c2)c1 ZINC000067694947 215187667 /nfs/dbraw/zinc/18/76/67/215187667.db2.gz WUAJRGFBAQLOKT-UHFFFAOYSA-N 1 2 336.395 3.262 50 0 EGAALO Cc1cncc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccno3)c2)c1 ZINC000067694947 215187669 /nfs/dbraw/zinc/18/76/69/215187669.db2.gz WUAJRGFBAQLOKT-UHFFFAOYSA-N 1 2 336.395 3.262 50 0 EGAALO c1coc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cccn2-c2ccccn2)c1 ZINC000067872119 215235628 /nfs/dbraw/zinc/23/56/28/215235628.db2.gz 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/nfs/dbraw/zinc/25/97/52/216259752.db2.gz KWPLNKPIYJDMMT-UHFFFAOYSA-N 1 2 334.427 3.494 50 0 EGAALO Cc1nn2c(nc(C)cc2NCCc2[nH]c3cc(C)ccc3[nH+]2)c1C ZINC000072479919 216259755 /nfs/dbraw/zinc/25/97/55/216259755.db2.gz KWPLNKPIYJDMMT-UHFFFAOYSA-N 1 2 334.427 3.494 50 0 EGAALO COCCn1cc[nH+]c1CN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000215007858 241100712 /nfs/dbraw/zinc/10/07/12/241100712.db2.gz HNZCGQJUFOZJHW-QGZVFWFLSA-N 1 2 339.443 3.133 50 0 EGAALO COc1ccc(-c2ncc(C[N@H+](C)Cc3ncccc3C)cn2)cc1 ZINC000215893669 241152928 /nfs/dbraw/zinc/15/29/28/241152928.db2.gz IXPUUUICKKNPCL-UHFFFAOYSA-N 1 2 334.423 3.488 50 0 EGAALO COc1ccc(-c2ncc(C[N@@H+](C)Cc3ncccc3C)cn2)cc1 ZINC000215893669 241152938 /nfs/dbraw/zinc/15/29/38/241152938.db2.gz IXPUUUICKKNPCL-UHFFFAOYSA-N 1 2 334.423 3.488 50 0 EGAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NC[C@@H]1CCCO1 ZINC000020661989 212159783 /nfs/dbraw/zinc/15/97/83/212159783.db2.gz WWCKHYKJTYDXLK-ZDUSSCGKSA-N 1 2 343.818 3.368 50 0 EGAALO Clc1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000020534268 212144494 /nfs/dbraw/zinc/14/44/94/212144494.db2.gz SPJWWKPYDZMMRC-UHFFFAOYSA-N 1 2 340.858 3.306 50 0 EGAALO Cc1cccc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000020408230 212126486 /nfs/dbraw/zinc/12/64/86/212126486.db2.gz PGGBXYXHLCOLCP-UXBLZVDNSA-N 1 2 349.478 3.265 50 0 EGAALO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1C ZINC000020394525 212124776 /nfs/dbraw/zinc/12/47/76/212124776.db2.gz MRDWUXHVIAKBRC-UHFFFAOYSA-N 1 2 326.415 3.401 50 0 EGAALO COc1ccc(Cl)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020146116 212105844 /nfs/dbraw/zinc/10/58/44/212105844.db2.gz NWPCVHQSGVDQST-UHFFFAOYSA-N 1 2 344.842 3.307 50 0 EGAALO CCCn1cc[nH+]c1[C@H]1CC(=O)Nc2c1c(C)nn2CCC(C)C ZINC000065382086 284132474 /nfs/dbraw/zinc/13/24/74/284132474.db2.gz JTKJHLBMIMIHNK-AWEZNQCLSA-N 1 2 329.448 3.318 50 0 EGAALO O=C(COc1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019841846 212075540 /nfs/dbraw/zinc/07/55/40/212075540.db2.gz LYLGPLGYCLFXJO-UHFFFAOYSA-N 1 2 344.842 3.063 50 0 EGAALO CCOC(=O)Cn1c2ccccc2n(Cc2ccccc2Cl)c1=[NH2+] ZINC000019790757 212067942 /nfs/dbraw/zinc/06/79/42/212067942.db2.gz CWYQLPOUDGEVNV-UHFFFAOYSA-N 1 2 343.814 3.187 50 0 EGAALO c1[nH]nc(-c2ccccc2)c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019722223 212058587 /nfs/dbraw/zinc/05/85/87/212058587.db2.gz JQVHUCOVOKFURZ-UHFFFAOYSA-N 1 2 332.451 3.395 50 0 EGAALO FC(F)(F)c1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000019361207 212021229 /nfs/dbraw/zinc/02/12/29/212021229.db2.gz NSPUNWYKBWOAIC-UHFFFAOYSA-N 1 2 335.373 3.418 50 0 EGAALO O=C(Nc1cccc(Cl)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019293458 212013511 /nfs/dbraw/zinc/01/35/11/212013511.db2.gz PRMKAVPZLZLYLW-UHFFFAOYSA-N 1 2 330.815 3.425 50 0 EGAALO CC(C)Oc1cccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000012382790 211362743 /nfs/dbraw/zinc/36/27/43/211362743.db2.gz ZKBVDGPBXOOYDJ-UHFFFAOYSA-N 1 2 328.412 3.025 50 0 EGAALO COCC[N@H+](C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000011878146 211263679 /nfs/dbraw/zinc/26/36/79/211263679.db2.gz LMTNIZRFJFBEKE-UHFFFAOYSA-N 1 2 337.423 3.328 50 0 EGAALO COCC[N@@H+](C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000011878146 211263683 /nfs/dbraw/zinc/26/36/83/211263683.db2.gz LMTNIZRFJFBEKE-UHFFFAOYSA-N 1 2 337.423 3.328 50 0 EGAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCc1cnn(CC)c1 ZINC000095365393 218298200 /nfs/dbraw/zinc/29/82/00/218298200.db2.gz IDUZZWQCKXIDDX-INIZCTEOSA-N 1 2 339.443 3.083 50 0 EGAALO C[NH+]1CCN(C(=O)c2ccnc(-c3ccccc3C(F)(F)F)c2)CC1 ZINC000097346869 219013688 /nfs/dbraw/zinc/01/36/88/219013688.db2.gz APIOKWQEEOWJJB-UHFFFAOYSA-N 1 2 349.356 3.155 50 0 EGAALO C[C@H](c1ccccc1)N1C(=O)C[C@@H](Nc2ccc([NH+](C)C)cc2)C1=O ZINC000004810455 210283563 /nfs/dbraw/zinc/28/35/63/210283563.db2.gz WSMFIEWBGZUJSD-RDTXWAMCSA-N 1 2 337.423 3.053 50 0 EGAALO CN(Cc1ccc2nsnc2c1)C(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000097522629 219032710 /nfs/dbraw/zinc/03/27/10/219032710.db2.gz GLXUSQPPSWDVJF-UHFFFAOYSA-N 1 2 349.419 3.354 50 0 EGAALO O=c1[nH]c(=S)n(-c2ccccc2)c2c1C[N@@H+](C1CCCCC1)CN2 ZINC000020567631 285195268 /nfs/dbraw/zinc/19/52/68/285195268.db2.gz QUSXTULHCHFFJI-UHFFFAOYSA-N 1 2 342.468 3.413 50 0 EGAALO O=c1[nH]c(=S)n(-c2ccccc2)c2c1C[N@H+](C1CCCCC1)CN2 ZINC000020567631 285195270 /nfs/dbraw/zinc/19/52/70/285195270.db2.gz QUSXTULHCHFFJI-UHFFFAOYSA-N 1 2 342.468 3.413 50 0 EGAALO C[C@@H]1c2cc(F)ccc2CCN1C(=O)CC1=CSC2=[NH+]CCCN12 ZINC000299786576 258093438 /nfs/dbraw/zinc/09/34/38/258093438.db2.gz VPFODLYWWUUFMH-GFCCVEGCSA-N 1 2 345.443 3.311 50 0 EGAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccccn2)cc1 ZINC000000535876 452616373 /nfs/dbraw/zinc/61/63/73/452616373.db2.gz LJFRHFCBNFUAJN-UHFFFAOYSA-N 1 2 336.786 3.476 50 0 EGAALO CCOC(=O)CSc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000016623605 453616160 /nfs/dbraw/zinc/61/61/60/453616160.db2.gz BQHSOMJMAOSWLQ-UHFFFAOYSA-N 1 2 345.424 3.345 50 0 EGAALO O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000018220038 453648914 /nfs/dbraw/zinc/64/89/14/453648914.db2.gz LLKNJUWGIBHQFW-UHFFFAOYSA-N 1 2 336.222 3.351 50 0 EGAALO CCC12CN3CC(C)(C[N@H+](C1)C3c1c(C)n(C)c3ccccc31)C2=O ZINC000019322844 453656686 /nfs/dbraw/zinc/65/66/86/453656686.db2.gz UIPZHQOSLCLPTG-UHFFFAOYSA-N 1 2 337.467 3.102 50 0 biogenic EGAALO CCC12CN3CC(C)(C[N@@H+](C1)C3c1c(C)n(C)c3ccccc31)C2=O ZINC000019322844 453656690 /nfs/dbraw/zinc/65/66/90/453656690.db2.gz UIPZHQOSLCLPTG-UHFFFAOYSA-N 1 2 337.467 3.102 50 0 biogenic EGAALO C[NH+](C)CCNc1[nH]c2cc(=O)ccc-2c2c1C(=O)c1ccccc1-2 ZINC000031494923 453847896 /nfs/dbraw/zinc/84/78/96/453847896.db2.gz ROWSTIYZUWEOMM-UHFFFAOYSA-N 1 2 333.391 3.125 50 0 in-vivo EGAALO Cc1ccc(NC(=O)c2nc(-n3cc[nH+]c3)ncc2Cl)cc1C ZINC000041157752 453958649 /nfs/dbraw/zinc/95/86/49/453958649.db2.gz HRZOFJIHIQDBCI-UHFFFAOYSA-N 1 2 327.775 3.185 50 0 EGAALO Cc1nc(CCn2cc[nH+]c2-c2c(C)cc(C)cc2-n2cccn2)no1 ZINC000077301119 454087881 /nfs/dbraw/zinc/08/78/81/454087881.db2.gz SFQHCXYSEVXDKC-UHFFFAOYSA-N 1 2 348.410 3.287 50 0 EGAALO CNC(=O)CCc1ccccc1-n1cc[nH+]c1[C@H]1CCOC(C)(C)C1 ZINC000077505069 454115480 /nfs/dbraw/zinc/11/54/80/454115480.db2.gz VAZFOLYLTYULKZ-INIZCTEOSA-N 1 2 341.455 3.224 50 0 EGAALO CCc1nc(Cn2cc[nH+]c2-c2cccc(C(=O)OC)c2)cs1 ZINC000071747030 454211288 /nfs/dbraw/zinc/21/12/88/454211288.db2.gz XARFGMJAOUVOFW-UHFFFAOYSA-N 1 2 327.409 3.404 50 0 EGAALO CCc1nc2cc(NC(=O)NCCCn3cc[nH+]c3)ccc2n1CC ZINC000096151113 454294173 /nfs/dbraw/zinc/29/41/73/454294173.db2.gz FMRLEOBZQOJJMQ-UHFFFAOYSA-N 1 2 340.431 3.027 50 0 EGAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000096166104 454296695 /nfs/dbraw/zinc/29/66/95/454296695.db2.gz LZAMUZMXXDFCJD-ZDUSSCGKSA-N 1 2 328.416 3.188 50 0 EGAALO C[NH+](C)[C@H](C(=O)N(Cc1ccccn1)C1CC1)c1ccccc1F ZINC000065372004 454554601 /nfs/dbraw/zinc/55/46/01/454554601.db2.gz WGJYVJWUHHERJR-SFHVURJKSA-N 1 2 327.403 3.015 50 0 EGAALO CC(C)c1cc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)no1 ZINC000065405070 454561900 /nfs/dbraw/zinc/56/19/00/454561900.db2.gz TWIZWRNOIBVNHE-UHFFFAOYSA-N 1 2 338.411 3.315 50 0 EGAALO Cc1nc(C2(Cn3cc[nH+]c3)CC2)n(-c2cccc(Cl)c2F)n1 ZINC000065431732 454567336 /nfs/dbraw/zinc/56/73/36/454567336.db2.gz VSXMQSIUHVQXGY-UHFFFAOYSA-N 1 2 331.782 3.297 50 0 EGAALO C[C@H]([NH2+]Cc1csc(-c2cccs2)n1)C(=O)NC1CCCC1 ZINC000065531802 454586899 /nfs/dbraw/zinc/58/68/99/454586899.db2.gz AYEDXYMPOIPUQI-NSHDSACASA-N 1 2 335.498 3.409 50 0 EGAALO O[C@@H](C[N@@H+]1CCO[C@@H](c2nccs2)C1)c1ccc2ccccc2c1 ZINC000222213075 456046407 /nfs/dbraw/zinc/04/64/07/456046407.db2.gz HHYYHHBQQKTNBD-ZWKOTPCHSA-N 1 2 340.448 3.403 50 0 EGAALO O[C@@H](C[N@H+]1CCO[C@@H](c2nccs2)C1)c1ccc2ccccc2c1 ZINC000222213075 456046408 /nfs/dbraw/zinc/04/64/08/456046408.db2.gz HHYYHHBQQKTNBD-ZWKOTPCHSA-N 1 2 340.448 3.403 50 0 EGAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCCC[C@@H]1c1nccs1 ZINC000222457456 456047248 /nfs/dbraw/zinc/04/72/48/456047248.db2.gz KGOLGBPQCBCXJH-CYBMUJFWSA-N 1 2 348.497 3.237 50 0 EGAALO O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000223703381 456059936 /nfs/dbraw/zinc/05/99/36/456059936.db2.gz GFFLQAJUHSJWEP-MRXNPFEDSA-N 1 2 336.439 3.236 50 0 EGAALO Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3[nH+]ccn3C)cc2)c1 ZINC000426628684 457865517 /nfs/dbraw/zinc/86/55/17/457865517.db2.gz CFCQRUAULDNQNL-MRXNPFEDSA-N 1 2 348.450 3.494 50 0 EGAALO Cc1[nH+]c2ccccc2n1CCC(=O)N(Cc1ccccn1)C1CC1 ZINC000548116435 458839614 /nfs/dbraw/zinc/83/96/14/458839614.db2.gz CFYPUQLNORTOGE-UHFFFAOYSA-N 1 2 334.423 3.321 50 0 EGAALO CN(Cc1cccc2cnccc21)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000534582495 459335221 /nfs/dbraw/zinc/33/52/21/459335221.db2.gz XEDSDWOHMVANTH-GOSISDBHSA-N 1 2 349.438 3.261 50 0 EGAALO CCCc1ccc(C[NH+]2CCN(Cc3ccccc3CO)CC2)o1 ZINC000215637014 535416657 /nfs/dbraw/zinc/41/66/57/535416657.db2.gz VONMKXFJSGJLAI-UHFFFAOYSA-N 1 2 328.456 3.042 50 0 EGAALO Cc1[nH+]cc(CNCc2cccnc2N(C)C2CCCCC2)n1C ZINC000015063926 1291146245 /nfs/dbraw/zinc/14/62/45/1291146245.db2.gz ZZUREDNOHHLPEI-UHFFFAOYSA-N 1 2 327.476 3.182 50 0 EGAALO CCSc1ccccc1NC(=O)CC[C@@H](C)N1CC[NH+](C)CC1 ZINC000952978558 1334628890 /nfs/dbraw/zinc/62/88/90/1334628890.db2.gz QXUOGDSPSGVASW-OAHLLOKOSA-N 1 2 335.517 3.153 50 0 EGAALO C[C@H]1C(=O)N2CCC[C@H]2CN1c1cc[nH+]c2c1cccc2C(F)(F)F ZINC001772711139 1441417271 /nfs/dbraw/zinc/41/72/71/1441417271.db2.gz WXIGYXMRZQAYIF-RYUDHWBXSA-N 1 2 349.356 3.453 50 0 EGAALO CSc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000097717398 219050536 /nfs/dbraw/zinc/05/05/36/219050536.db2.gz YFZIJWAGTSOGFH-UHFFFAOYSA-N 1 2 348.512 3.170 50 0 EGAALO CCc1noc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000055252619 214295751 /nfs/dbraw/zinc/29/57/51/214295751.db2.gz QTONACGXWLCTCA-UHFFFAOYSA-N 1 2 329.379 3.183 50 0 EGAALO CCc1noc(C[N@H+](CC)Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000055252619 214295754 /nfs/dbraw/zinc/29/57/54/214295754.db2.gz QTONACGXWLCTCA-UHFFFAOYSA-N 1 2 329.379 3.183 50 0 EGAALO CCn1cc(C[N@H+](CC)Cc2nccn2-c2ccc(OC)cc2)cn1 ZINC000055282819 214302138 /nfs/dbraw/zinc/30/21/38/214302138.db2.gz UJDUWIPGSKWBHT-UHFFFAOYSA-N 1 2 339.443 3.119 50 0 EGAALO CCn1cc(C[N@@H+](CC)Cc2nccn2-c2ccc(OC)cc2)cn1 ZINC000055282819 214302141 /nfs/dbraw/zinc/30/21/41/214302141.db2.gz UJDUWIPGSKWBHT-UHFFFAOYSA-N 1 2 339.443 3.119 50 0 EGAALO COC(=O)c1cccc(C[N@@H+](Cc2ccsc2)C[C@H]2CCCO2)n1 ZINC000055371151 214314244 /nfs/dbraw/zinc/31/42/44/214314244.db2.gz VPPXNJCKBDDUDC-MRXNPFEDSA-N 1 2 346.452 3.111 50 0 EGAALO COC(=O)c1cccc(C[N@H+](Cc2ccsc2)C[C@H]2CCCO2)n1 ZINC000055371151 214314247 /nfs/dbraw/zinc/31/42/47/214314247.db2.gz VPPXNJCKBDDUDC-MRXNPFEDSA-N 1 2 346.452 3.111 50 0 EGAALO COc1cccc(N2C(=O)C[C@@H](n3c[nH+]c4cc(C)c(C)cc43)C2=O)c1 ZINC000100147287 219092391 /nfs/dbraw/zinc/09/23/91/219092391.db2.gz LOVVFCGXYZLOAD-GOSISDBHSA-N 1 2 349.390 3.166 50 0 EGAALO COc1ccc2cc(C[N@@H+](C)[C@H](C)c3nccs3)c(=O)[nH]c2c1 ZINC000067447225 215147044 /nfs/dbraw/zinc/14/70/44/215147044.db2.gz TXSDOUJATWCMMR-LLVKDONJSA-N 1 2 329.425 3.186 50 0 EGAALO CCCCc1[nH]c([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)c[nH+]1 ZINC000067855938 215232533 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CCc1cc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)n2nccc2n1 ZINC000072126638 216017816 /nfs/dbraw/zinc/01/78/16/216017816.db2.gz ISHZSKDSMXCIKA-KRWDZBQOSA-N 1 2 332.411 3.342 50 0 EGAALO Cc1cccc(O[C@H](C(=O)N2CCCn3c[nH+]cc3C2)C(C)C)c1 ZINC000072172640 216063722 /nfs/dbraw/zinc/06/37/22/216063722.db2.gz GOMZJAIMPAZWBJ-SFHVURJKSA-N 1 2 327.428 3.027 50 0 EGAALO O=C1CC[C@]2(CCCN(c3cccc[nH+]3)C2)CN1Cc1ccccc1 ZINC000072454443 216240795 /nfs/dbraw/zinc/24/07/95/216240795.db2.gz XEZGKUVEJNMPNV-NRFANRHFSA-N 1 2 335.451 3.491 50 0 EGAALO CCn1c2ccccc2[nH+]c1CCNc1cc(C)nc2cc(C)nn21 ZINC000072463910 216246450 /nfs/dbraw/zinc/24/64/50/216246450.db2.gz NLUCPHVLRFVBKC-UHFFFAOYSA-N 1 2 334.427 3.370 50 0 EGAALO Cc1cc(C)c(CNC(=O)c2ccc(CCC(C)(C)O)cc2)c[nH+]1 ZINC000072481137 216261637 /nfs/dbraw/zinc/26/16/37/216261637.db2.gz SCQHHHSDOSRXNI-UHFFFAOYSA-N 1 2 326.440 3.332 50 0 EGAALO C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182585 212358278 /nfs/dbraw/zinc/35/82/78/212358278.db2.gz 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/nfs/dbraw/zinc/25/57/40/453255740.db2.gz IGDXOSAWLJFKMB-CHWSQXEVSA-N 1 2 325.391 3.437 50 0 EGAALO OCC[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccccc1 ZINC000012597645 453381719 /nfs/dbraw/zinc/38/17/19/453381719.db2.gz IQIRSCAPMZFNKR-UHFFFAOYSA-N 1 2 343.814 3.385 50 0 EGAALO OCC[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccccc1 ZINC000012597645 453381727 /nfs/dbraw/zinc/38/17/27/453381727.db2.gz IQIRSCAPMZFNKR-UHFFFAOYSA-N 1 2 343.814 3.385 50 0 EGAALO c1ccc(CO[C@@H]2CCC[N@H+](Cc3nc(CC4CC4)no3)C2)cc1 ZINC000012705062 453392951 /nfs/dbraw/zinc/39/29/51/453392951.db2.gz SPLWHVHODZNLKW-QGZVFWFLSA-N 1 2 327.428 3.203 50 0 EGAALO c1ccc(CO[C@@H]2CCC[N@@H+](Cc3nc(CC4CC4)no3)C2)cc1 ZINC000012705062 453392960 /nfs/dbraw/zinc/39/29/60/453392960.db2.gz SPLWHVHODZNLKW-QGZVFWFLSA-N 1 2 327.428 3.203 50 0 EGAALO Cc1ccc(C2N3CC4(C(C)C)C[NH+]2CC(C(C)C)(C3)C4=O)cc1 ZINC000019323257 453656320 /nfs/dbraw/zinc/65/63/20/453656320.db2.gz UFMVBIKDVZHNIU-UHFFFAOYSA-N 1 2 326.484 3.492 50 0 biogenic EGAALO Cc1ccc(-c2cc(C(=O)NCCc3cn4ccccc4[nH+]3)[nH]n2)cc1 ZINC000025529870 453776063 /nfs/dbraw/zinc/77/60/63/453776063.db2.gz SQUVEAYBJMTUKL-UHFFFAOYSA-N 1 2 345.406 3.005 50 0 EGAALO C[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2)CC1 ZINC000030830564 453839121 /nfs/dbraw/zinc/83/91/21/453839121.db2.gz DBYSOQVKVCROIH-UHFFFAOYSA-N 1 2 329.831 3.344 50 0 EGAALO CCCn1cc[nH+]c1CNC(=O)c1csc(-c2cccs2)n1 ZINC000082098827 453923750 /nfs/dbraw/zinc/92/37/50/453923750.db2.gz RRRZFMZTFLDIKC-UHFFFAOYSA-N 1 2 332.454 3.408 50 0 EGAALO CC(C)n1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000082125398 453925627 /nfs/dbraw/zinc/92/56/27/453925627.db2.gz ZUKAMILBAIVJMK-UHFFFAOYSA-N 1 2 346.862 3.075 50 0 EGAALO CS[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000042854481 454029215 /nfs/dbraw/zinc/02/92/15/454029215.db2.gz TYQRHSQZIQVFKL-LBPRGKRZSA-N 1 2 346.418 3.101 50 0 EGAALO CC(C)CC(=O)Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000077130888 454066051 /nfs/dbraw/zinc/06/60/51/454066051.db2.gz HHLITTAHNIXPOA-UHFFFAOYSA-N 1 2 336.399 3.391 50 0 EGAALO Cc1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc(C(C)C)[nH+]1 ZINC000077406215 454102517 /nfs/dbraw/zinc/10/25/17/454102517.db2.gz MCIKIDVRPJKFSD-FQEVSTJZSA-N 1 2 342.487 3.280 50 0 EGAALO Cc1noc([C@H](C)n2cc[nH+]c2-c2cc(F)ccc2-n2cccn2)n1 ZINC000077421696 454104629 /nfs/dbraw/zinc/10/46/29/454104629.db2.gz PCFNMCWTOCDCHF-NSHDSACASA-N 1 2 338.346 3.176 50 0 EGAALO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](c3ccn[nH]3)C1)CO2 ZINC000077456066 454107356 /nfs/dbraw/zinc/10/73/56/454107356.db2.gz DFNZOTQVXIJDQD-HNNXBMFYSA-N 1 2 325.412 3.074 50 0 EGAALO Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000069565699 454119227 /nfs/dbraw/zinc/11/92/27/454119227.db2.gz QSEZZPGLOHSJMR-QGZVFWFLSA-N 1 2 332.407 3.205 50 0 EGAALO CC[C@@H]1C[N@H+](Cc2nccs2)CCC(=O)N1Cc1ccccc1 ZINC000071552302 454209479 /nfs/dbraw/zinc/20/94/79/454209479.db2.gz AFIIHTUGXPLUNQ-MRXNPFEDSA-N 1 2 329.469 3.156 50 0 EGAALO CC[C@@H]1C[N@@H+](Cc2nccs2)CCC(=O)N1Cc1ccccc1 ZINC000071552302 454209484 /nfs/dbraw/zinc/20/94/84/454209484.db2.gz AFIIHTUGXPLUNQ-MRXNPFEDSA-N 1 2 329.469 3.156 50 0 EGAALO Cn1cnnc1SCCn1cc[nH+]c1-c1ccnc2ccccc21 ZINC000071760325 454215243 /nfs/dbraw/zinc/21/52/43/454215243.db2.gz NNRSNEIRAFRGEH-UHFFFAOYSA-N 1 2 336.424 3.019 50 0 EGAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(O)c2)C1 ZINC000095518303 454226399 /nfs/dbraw/zinc/22/63/99/454226399.db2.gz ROACHZNBCSDXAX-MRXNPFEDSA-N 1 2 327.428 3.409 50 0 EGAALO O=C(COc1ccc2ccccc2c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095519229 454226468 /nfs/dbraw/zinc/22/64/68/454226468.db2.gz BMEHICGJJVDOPE-QGZVFWFLSA-N 1 2 335.407 3.348 50 0 EGAALO CCn1c[nH+]cc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000065395763 454558509 /nfs/dbraw/zinc/55/85/09/454558509.db2.gz IPSCPZQAYPXLCG-HNNXBMFYSA-N 1 2 335.411 3.180 50 0 EGAALO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(Cc1ccccc1)c1ccccn1)C2 ZINC000225517456 456088551 /nfs/dbraw/zinc/08/85/51/456088551.db2.gz JYCNTCSQQZQPBX-KRWDZBQOSA-N 1 2 346.434 3.451 50 0 EGAALO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(Cc1ccccc1)c1ccccn1)CC2 ZINC000225517456 456088555 /nfs/dbraw/zinc/08/85/55/456088555.db2.gz JYCNTCSQQZQPBX-KRWDZBQOSA-N 1 2 346.434 3.451 50 0 EGAALO Cc1nc(NCc2cc3cc(Cl)ccc3[nH]2)cc([C@H]2CCOC2)[nH+]1 ZINC000426369168 457812539 /nfs/dbraw/zinc/81/25/39/457812539.db2.gz JPWPAUXWVSIAOP-LBPRGKRZSA-N 1 2 342.830 3.458 50 0 EGAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cccc(-c2ncccc2N)c1 ZINC000426387791 457819669 /nfs/dbraw/zinc/81/96/69/457819669.db2.gz CCXZQZRTFJCJNE-UHFFFAOYSA-N 1 2 349.438 3.117 50 0 EGAALO CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426444832 457831882 /nfs/dbraw/zinc/83/18/82/457831882.db2.gz ATMSXSGNLMIYJI-KRWDZBQOSA-N 1 2 327.428 3.118 50 0 EGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCCC3)csc2C1 ZINC000426606781 457861581 /nfs/dbraw/zinc/86/15/81/457861581.db2.gz RIHUKTYNEQAGMA-UHFFFAOYSA-N 1 2 345.468 3.147 50 0 EGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCCC3)csc2C1 ZINC000426606781 457861587 /nfs/dbraw/zinc/86/15/87/457861587.db2.gz RIHUKTYNEQAGMA-UHFFFAOYSA-N 1 2 345.468 3.147 50 0 EGAALO Cc1[nH]c(-c2cccc(C(=O)NCc3nc(C)cc(C)n3)c2)c(C)[nH+]1 ZINC000584892445 459819973 /nfs/dbraw/zinc/81/99/73/459819973.db2.gz OZMQSQLKKYGPRY-UHFFFAOYSA-N 1 2 335.411 3.030 50 0 EGAALO COc1ccc2c(c1)CCN(C[N@@H+]1CCc3cc(OC)ccc3C1)C2 ZINC000114837356 1293178966 /nfs/dbraw/zinc/17/89/66/1293178966.db2.gz OEENWGJJSQGRID-UHFFFAOYSA-N 1 2 338.451 3.078 50 0 EGAALO COc1ccc2c(c1)CCN(C[N@H+]1CCc3cc(OC)ccc3C1)C2 ZINC000114837356 1293178970 /nfs/dbraw/zinc/17/89/70/1293178970.db2.gz OEENWGJJSQGRID-UHFFFAOYSA-N 1 2 338.451 3.078 50 0 EGAALO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H]1COc2ccccc2O1 ZINC000055254511 214296059 /nfs/dbraw/zinc/29/60/59/214296059.db2.gz BABNXDUSAYNBAM-LBPRGKRZSA-N 1 2 343.408 3.070 50 0 EGAALO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H]1COc2ccccc2O1 ZINC000055254511 214296062 /nfs/dbraw/zinc/29/60/62/214296062.db2.gz BABNXDUSAYNBAM-LBPRGKRZSA-N 1 2 343.408 3.070 50 0 EGAALO CC[NH+](CC)Cc1nnc2sc(-c3ccc4ccccc4n3)nn12 ZINC000067239824 215126688 /nfs/dbraw/zinc/12/66/88/215126688.db2.gz ZIVLAYITRQKAOB-UHFFFAOYSA-N 1 2 338.440 3.243 50 0 EGAALO Cc1ccc2[nH]c(C[NH+]3CCC(Oc4ncccn4)CC3)nc2c1C ZINC000067757697 215205967 /nfs/dbraw/zinc/20/59/67/215205967.db2.gz RIIFBHVKIPOBDF-UHFFFAOYSA-N 1 2 337.427 3.013 50 0 EGAALO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067785569 215212089 /nfs/dbraw/zinc/21/20/89/215212089.db2.gz WLOKUXJXRBVYQQ-OAHLLOKOSA-N 1 2 346.434 3.462 50 0 EGAALO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067785569 215212093 /nfs/dbraw/zinc/21/20/93/215212093.db2.gz WLOKUXJXRBVYQQ-OAHLLOKOSA-N 1 2 346.434 3.462 50 0 EGAALO C[C@H]1CCCN(C(=O)CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000067852456 215231954 /nfs/dbraw/zinc/23/19/54/215231954.db2.gz XQCYWXVGVSFPGU-HNNXBMFYSA-N 1 2 325.456 3.175 50 0 EGAALO C[C@H]1CCCN(C(=O)CC[N@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000067852456 215231955 /nfs/dbraw/zinc/23/19/55/215231955.db2.gz XQCYWXVGVSFPGU-HNNXBMFYSA-N 1 2 325.456 3.175 50 0 EGAALO CN1CC[NH+](Cc2ccccc2Oc2cccc(-n3cccn3)c2)CC1 ZINC000067955982 215259156 /nfs/dbraw/zinc/25/91/56/215259156.db2.gz WUXKXYIIHQFUJF-UHFFFAOYSA-N 1 2 348.450 3.412 50 0 EGAALO CC(C)c1nc2c(cnn2C)c(N[C@H](c2[nH+]ccn2C)C(C)C)n1 ZINC000072119526 216013637 /nfs/dbraw/zinc/01/36/37/216013637.db2.gz HPQVKYYPAYWRHG-ZDUSSCGKSA-N 1 2 327.436 3.029 50 0 EGAALO CSCc1noc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)n1 ZINC000072135599 216024568 /nfs/dbraw/zinc/02/45/68/216024568.db2.gz XLXBQYLFCHXURC-UHFFFAOYSA-N 1 2 345.468 3.055 50 0 EGAALO c1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000072173825 216063844 /nfs/dbraw/zinc/06/38/44/216063844.db2.gz JIFYDTBKLYFJJJ-IPMKNSEASA-N 1 2 325.481 3.205 50 0 EGAALO c1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000072173825 216063847 /nfs/dbraw/zinc/06/38/47/216063847.db2.gz JIFYDTBKLYFJJJ-IPMKNSEASA-N 1 2 325.481 3.205 50 0 EGAALO O=C(NCCn1cc[nH+]c1-c1cc(F)cc(Cl)c1)c1ccncc1 ZINC000072428488 216219241 /nfs/dbraw/zinc/21/92/41/216219241.db2.gz RRTAYQQIDUACEX-UHFFFAOYSA-N 1 2 344.777 3.168 50 0 EGAALO CCN1C[C@@H](n2cc[nH+]c2-c2ccc3c(c2)CC(C)(C)O3)CC1=O ZINC000072428475 216219411 /nfs/dbraw/zinc/21/94/11/216219411.db2.gz FKVBLFOQNZHHQK-HNNXBMFYSA-N 1 2 325.412 3.057 50 0 EGAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C1CC1 ZINC000072433539 216228757 /nfs/dbraw/zinc/22/87/57/216228757.db2.gz YXCXGJZOLHEFBH-QGZVFWFLSA-N 1 2 341.455 3.005 50 0 EGAALO O=C(c1cccc2cnccc21)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072475469 216253102 /nfs/dbraw/zinc/25/31/02/216253102.db2.gz IZJQSWLMVIWLDQ-UHFFFAOYSA-N 1 2 349.409 3.332 50 0 EGAALO CC(C)n1cnnc1C[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072480964 216259884 /nfs/dbraw/zinc/25/98/84/216259884.db2.gz XUXLSIQFHBDWOQ-UHFFFAOYSA-N 1 2 330.476 3.195 50 0 EGAALO CC(C)n1cnnc1C[N@@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072480964 216259887 /nfs/dbraw/zinc/25/98/87/216259887.db2.gz XUXLSIQFHBDWOQ-UHFFFAOYSA-N 1 2 330.476 3.195 50 0 EGAALO 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CC(C)CNC(=O)c1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000534576033 459334433 /nfs/dbraw/zinc/33/44/33/459334433.db2.gz JTAMUOPRHLIGTE-UHFFFAOYSA-N 1 2 334.423 3.379 50 0 EGAALO CS[C@@H](C)Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596613469 459698281 /nfs/dbraw/zinc/69/82/81/459698281.db2.gz GAUNICYNCBOUQZ-DZKIICNBSA-N 1 2 347.484 3.326 50 0 EGAALO CS[C@@H](C)Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000596613469 459698286 /nfs/dbraw/zinc/69/82/86/459698286.db2.gz GAUNICYNCBOUQZ-DZKIICNBSA-N 1 2 347.484 3.326 50 0 EGAALO CCCc1cc(C[N@H+](C)CCC(=O)Nc2ccc(F)cc2F)n[nH]1 ZINC000244647027 535396071 /nfs/dbraw/zinc/39/60/71/535396071.db2.gz GTPIGELDURIDAI-UHFFFAOYSA-N 1 2 336.386 3.101 50 0 EGAALO CCCc1cc(C[N@@H+](C)CCC(=O)Nc2ccc(F)cc2F)n[nH]1 ZINC000244647027 535396076 /nfs/dbraw/zinc/39/60/76/535396076.db2.gz GTPIGELDURIDAI-UHFFFAOYSA-N 1 2 336.386 3.101 50 0 EGAALO CCSc1ccccc1NC(=O)CC[C@H](C)N1CC[NH+](C)CC1 ZINC000952978550 1334629144 /nfs/dbraw/zinc/62/91/44/1334629144.db2.gz QXUOGDSPSGVASW-HNNXBMFYSA-N 1 2 335.517 3.153 50 0 EGAALO c1ccc2nc(-c3cccc(OCC[NH+]4CCOCC4)c3)cnc2c1 ZINC001772817355 1441417701 /nfs/dbraw/zinc/41/77/01/1441417701.db2.gz CMDPBNXLSIGREU-UHFFFAOYSA-N 1 2 335.407 3.008 50 0 EGAALO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000004341676 210175617 /nfs/dbraw/zinc/17/56/17/210175617.db2.gz OXXLXDVONJMZNY-SECBINFHSA-N 1 2 348.815 3.123 50 0 EGAALO CN(Cc1ccc(Cl)nc1)C(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000067694644 215188169 /nfs/dbraw/zinc/18/81/69/215188169.db2.gz LSBIFDZWZKVDAM-UHFFFAOYSA-N 1 2 326.787 3.397 50 0 EGAALO C[C@H](C(N)=O)[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067743388 215200326 /nfs/dbraw/zinc/20/03/26/215200326.db2.gz MLPIBVXARBAQFJ-CQSZACIVSA-N 1 2 347.418 3.241 50 0 EGAALO C[C@H](C(N)=O)[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067743388 215200329 /nfs/dbraw/zinc/20/03/29/215200329.db2.gz MLPIBVXARBAQFJ-CQSZACIVSA-N 1 2 347.418 3.241 50 0 EGAALO COc1ccc(-n2ncc3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000000551156 209660107 /nfs/dbraw/zinc/66/01/07/209660107.db2.gz MSJZNEMYEMFTJT-UHFFFAOYSA-N 1 2 345.406 3.479 50 0 EGAALO c1cn(Cc2nc(CCc3ccccc3)no2)c(-c2cccnc2)[nH+]1 ZINC000072127156 216017511 /nfs/dbraw/zinc/01/75/11/216017511.db2.gz FLYRNJKGOIAVML-UHFFFAOYSA-N 1 2 331.379 3.162 50 0 EGAALO Cc1nn(C)c2nc[nH+]c(NCCOc3c(C)cccc3Cl)c12 ZINC000072434543 216229464 /nfs/dbraw/zinc/22/94/64/216229464.db2.gz PTVOMMMJPZADDM-UHFFFAOYSA-N 1 2 331.807 3.124 50 0 EGAALO C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182575 212358765 /nfs/dbraw/zinc/35/87/65/212358765.db2.gz MBGSMOUVBQVGNH-RHSMWYFYSA-N 1 2 345.468 3.332 50 0 EGAALO c1ccc(C[C@H]2C[N@H+](Cc3nc4c(s3)CCCC4)CCO2)cc1 ZINC000023129192 212352309 /nfs/dbraw/zinc/35/23/09/212352309.db2.gz ZSMLPYCRLXGLAQ-INIZCTEOSA-N 1 2 328.481 3.465 50 0 EGAALO c1ccc(C[C@H]2C[N@@H+](Cc3nc4c(s3)CCCC4)CCO2)cc1 ZINC000023129192 212352312 /nfs/dbraw/zinc/35/23/12/212352312.db2.gz ZSMLPYCRLXGLAQ-INIZCTEOSA-N 1 2 328.481 3.465 50 0 EGAALO Cc1cccn2cc(-c3ccccc3NC(=O)c3cnccn3)[nH+]c12 ZINC000206901654 241057162 /nfs/dbraw/zinc/05/71/62/241057162.db2.gz OHMJRTAVNXJVAN-UHFFFAOYSA-N 1 2 329.363 3.352 50 0 EGAALO Clc1cncc(Cl)c1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000215687459 241140595 /nfs/dbraw/zinc/14/05/95/241140595.db2.gz YWICWKJWXBRLOM-UHFFFAOYSA-N 1 2 337.254 3.101 50 0 EGAALO Cc1ccc(Sc2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)NC4=O)o2)cc1 ZINC000215775004 241145063 /nfs/dbraw/zinc/14/50/63/241145063.db2.gz XQZVZBZUQCSWLQ-CABCVRRESA-N 1 2 342.464 3.450 50 0 EGAALO Cc1ccc(Sc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)NC4=O)o2)cc1 ZINC000215775004 241145069 /nfs/dbraw/zinc/14/50/69/241145069.db2.gz XQZVZBZUQCSWLQ-CABCVRRESA-N 1 2 342.464 3.450 50 0 EGAALO O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)NC1CC1 ZINC000244873372 243091716 /nfs/dbraw/zinc/09/17/16/243091716.db2.gz WPBALERVGXWKOD-OAHLLOKOSA-N 1 2 332.835 3.022 50 0 EGAALO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)NC1CC1 ZINC000244873372 243091719 /nfs/dbraw/zinc/09/17/19/243091719.db2.gz WPBALERVGXWKOD-OAHLLOKOSA-N 1 2 332.835 3.022 50 0 EGAALO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020726169 212164650 /nfs/dbraw/zinc/16/46/50/212164650.db2.gz BRAKKALVFJNQHA-MRXNPFEDSA-N 1 2 336.435 3.110 50 0 EGAALO O=C1C[C@@H]([NH2+]Cc2ccco2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000019782404 212066916 /nfs/dbraw/zinc/06/69/16/212066916.db2.gz GBTUSLVQTBCVKV-CYBMUJFWSA-N 1 2 339.178 3.008 50 0 EGAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000019790142 212066637 /nfs/dbraw/zinc/06/66/37/212066637.db2.gz CIBATMYVIWWHTD-UHFFFAOYSA-N 1 2 344.842 3.307 50 0 EGAALO O=C(N[C@@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl)c1ccco1 ZINC000019720452 212057194 /nfs/dbraw/zinc/05/71/94/212057194.db2.gz FOXZVEZRVKMQKO-LLVKDONJSA-N 1 2 334.590 3.213 50 0 EGAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000019701726 212055928 /nfs/dbraw/zinc/05/59/28/212055928.db2.gz XBOWMTVNNBQTAS-HNNXBMFYSA-N 1 2 339.391 3.226 50 0 biogenic EGAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000019701726 212055931 /nfs/dbraw/zinc/05/59/31/212055931.db2.gz XBOWMTVNNBQTAS-HNNXBMFYSA-N 1 2 339.391 3.226 50 0 biogenic EGAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)CCC(C)C)[nH]n1 ZINC000011819358 211253041 /nfs/dbraw/zinc/25/30/41/211253041.db2.gz LFHJOQUFYDZILE-UHFFFAOYSA-N 1 2 339.443 3.234 50 0 EGAALO CC(C)Cc1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)n[nH]1 ZINC000011664446 211231198 /nfs/dbraw/zinc/23/11/98/211231198.db2.gz MEUJDJYNDMEGHY-UHFFFAOYSA-N 1 2 341.499 3.425 50 0 EGAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2cccnc2)cc1C ZINC000010253598 211157246 /nfs/dbraw/zinc/15/72/46/211157246.db2.gz XAYZRROKAIVIKI-UHFFFAOYSA-N 1 2 330.395 3.439 50 0 EGAALO C[N@H+](CC(=O)NC1(c2ccc(Cl)cc2)CCC1)Cc1cccnc1 ZINC000299800657 258103464 /nfs/dbraw/zinc/10/34/64/258103464.db2.gz VJWWKRFDAPSNLM-UHFFFAOYSA-N 1 2 343.858 3.362 50 0 EGAALO C[N@@H+](CC(=O)NC1(c2ccc(Cl)cc2)CCC1)Cc1cccnc1 ZINC000299800657 258103465 /nfs/dbraw/zinc/10/34/65/258103465.db2.gz VJWWKRFDAPSNLM-UHFFFAOYSA-N 1 2 343.858 3.362 50 0 EGAALO Cc1cc(C)c(NC(=O)NC[C@@H](CO)Cc2cccs2)c(C)[nH+]1 ZINC000299756083 258074413 /nfs/dbraw/zinc/07/44/13/258074413.db2.gz BJOGPOLBIJISOJ-AWEZNQCLSA-N 1 2 333.457 3.041 50 0 EGAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3ccccc3C)C[C@@H]2C)cc1 ZINC000055060310 132193347 /nfs/dbraw/zinc/19/33/47/132193347.db2.gz HGYUBZAWRLVFLM-SFHVURJKSA-N 1 2 337.467 3.453 50 0 EGAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3ccccc3C)C[C@@H]2C)cc1 ZINC000055060310 132193349 /nfs/dbraw/zinc/19/33/49/132193349.db2.gz HGYUBZAWRLVFLM-SFHVURJKSA-N 1 2 337.467 3.453 50 0 EGAALO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000095358429 281026613 /nfs/dbraw/zinc/02/66/13/281026613.db2.gz JZCSJGXNCPTDAO-AWEZNQCLSA-N 1 2 334.423 3.204 50 0 EGAALO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000095358429 281026614 /nfs/dbraw/zinc/02/66/14/281026614.db2.gz JZCSJGXNCPTDAO-AWEZNQCLSA-N 1 2 334.423 3.204 50 0 EGAALO Cc1ccc([C@@H](C2Sc3ncnn3C2=O)[NH+]2CCCCC2)cc1 ZINC000022609227 301723622 /nfs/dbraw/zinc/72/36/22/301723622.db2.gz LSWDYGGBRDKXDR-AWEZNQCLSA-N 1 2 328.441 3.380 50 0 EGAALO c1ncn(C2CCCCC2)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000240971674 455265170 /nfs/dbraw/zinc/26/51/70/455265170.db2.gz UAWJHBUOFSTICQ-UHFFFAOYSA-N 1 2 325.460 3.106 50 0 EGAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccccc1Br ZINC000002960842 452736597 /nfs/dbraw/zinc/73/65/97/452736597.db2.gz KCBSXAQGTAHFBS-UHFFFAOYSA-N 1 2 344.212 3.069 50 0 EGAALO CCCc1[nH+]c2ccccc2n1Cc1nc2ccccc2n1CCO ZINC000008715644 453226084 /nfs/dbraw/zinc/22/60/84/453226084.db2.gz DSXMXPWFTNJFQX-UHFFFAOYSA-N 1 2 334.423 3.379 50 0 EGAALO COc1ccccc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013324819 453457236 /nfs/dbraw/zinc/45/72/36/453457236.db2.gz OAGHAJZIGFQJOQ-UHFFFAOYSA-N 1 2 341.411 3.171 50 0 EGAALO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccco3)CC2)c1C ZINC000016605865 453616105 /nfs/dbraw/zinc/61/61/05/453616105.db2.gz BVHCDKURCFNDBA-QGZVFWFLSA-N 1 2 342.439 3.008 50 0 EGAALO CN(C[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cn1 ZINC000082139655 453926005 /nfs/dbraw/zinc/92/60/05/453926005.db2.gz YFXGJTMVICUSIP-IBGZPJMESA-N 1 2 347.466 3.289 50 0 EGAALO Cc1ccccc1-c1c[nH]nc1C1CCN(c2cc(N)nc[nH+]2)CC1 ZINC000067851296 453972748 /nfs/dbraw/zinc/97/27/48/453972748.db2.gz YSUHFSOLMOEUND-UHFFFAOYSA-N 1 2 334.427 3.141 50 0 EGAALO COc1ccccc1OC[C@H](O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000076555374 454014478 /nfs/dbraw/zinc/01/44/78/454014478.db2.gz MOAMBSZDTFWYMP-OAHLLOKOSA-N 1 2 338.407 3.362 50 0 EGAALO O=C(/C=C/c1cccs1)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043975545 454084559 /nfs/dbraw/zinc/08/45/59/454084559.db2.gz CVGJPGRZGVCKJR-VOTSOKGWSA-N 1 2 327.453 3.189 50 0 EGAALO CC(=O)c1cccc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)c1 ZINC000077302374 454087857 /nfs/dbraw/zinc/08/78/57/454087857.db2.gz IHYPUKZAJIXIBT-UHFFFAOYSA-N 1 2 342.464 3.299 50 0 EGAALO CC(=O)c1cccc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)c1 ZINC000077302374 454087860 /nfs/dbraw/zinc/08/78/60/454087860.db2.gz IHYPUKZAJIXIBT-UHFFFAOYSA-N 1 2 342.464 3.299 50 0 EGAALO CCCc1c[nH+]c(C)nc1N1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071747558 454212214 /nfs/dbraw/zinc/21/22/14/454212214.db2.gz DTIMIJUUFDTMOZ-GOSISDBHSA-N 1 2 344.503 3.211 50 0 EGAALO CC[C@@H]1CN(c2nc(C)[nH+]cc2C)CCC(=O)N1Cc1ccccc1 ZINC000071754168 454214468 /nfs/dbraw/zinc/21/44/68/454214468.db2.gz KCOMJFBDFVRBIG-GOSISDBHSA-N 1 2 338.455 3.111 50 0 EGAALO CCN1C[C@@H](Cn2cc[nH+]c2-c2ccc(OC)c(C)c2C)CC1=O ZINC000071760444 454215020 /nfs/dbraw/zinc/21/50/20/454215020.db2.gz WNGADHQNGSIFTI-HNNXBMFYSA-N 1 2 327.428 3.044 50 0 EGAALO COc1ccc(OC)c(-c2nc(C[NH+]3CCSCC3)c(C)o2)c1 ZINC000071762229 454215505 /nfs/dbraw/zinc/21/55/05/454215505.db2.gz UHUJOMONBHUWMS-UHFFFAOYSA-N 1 2 334.441 3.216 50 0 EGAALO c1cnn(-c2ccc([C@H]3c4[nH]cnc4CC[N@H+]3Cc3ccoc3)cc2)c1 ZINC000071759604 454215717 /nfs/dbraw/zinc/21/57/17/454215717.db2.gz CEDGKAAVRPKBAF-FQEVSTJZSA-N 1 2 345.406 3.336 50 0 EGAALO c1cnn(-c2ccc([C@H]3c4[nH]cnc4CC[N@@H+]3Cc3ccoc3)cc2)c1 ZINC000071759604 454215720 /nfs/dbraw/zinc/21/57/20/454215720.db2.gz CEDGKAAVRPKBAF-FQEVSTJZSA-N 1 2 345.406 3.336 50 0 EGAALO O=C(Cc1ccccn1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095498325 454222071 /nfs/dbraw/zinc/22/20/71/454222071.db2.gz RTULSVILOGDVBI-KRWDZBQOSA-N 1 2 338.455 3.027 50 0 EGAALO Cc1[nH]c2ccc(CNC(=O)[C@H]3CCOc4ccccc4C3)cc2[nH+]1 ZINC000095519055 454226536 /nfs/dbraw/zinc/22/65/36/454226536.db2.gz WIIGLPAVQCDBAQ-INIZCTEOSA-N 1 2 335.407 3.129 50 0 EGAALO Cc1[nH]c2cc(CNC(=O)[C@H]3CCOc4ccccc4C3)ccc2[nH+]1 ZINC000095519055 454226540 /nfs/dbraw/zinc/22/65/40/454226540.db2.gz WIIGLPAVQCDBAQ-INIZCTEOSA-N 1 2 335.407 3.129 50 0 EGAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000072418931 454296080 /nfs/dbraw/zinc/29/60/80/454296080.db2.gz XMVFPRCDRMAQQX-GOSISDBHSA-N 1 2 334.423 3.494 50 0 EGAALO Cc1ccc(NC(=O)N2CC(OCc3ccccc3C)C2)c(C)[nH+]1 ZINC000096166061 454296774 /nfs/dbraw/zinc/29/67/74/454296774.db2.gz WWKSDVGBNHRPMO-UHFFFAOYSA-N 1 2 325.412 3.440 50 0 EGAALO Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC000065410758 454562613 /nfs/dbraw/zinc/56/26/13/454562613.db2.gz IOKKWMSNHSJHOR-IBGZPJMESA-N 1 2 338.455 3.004 50 0 EGAALO Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC000065410758 454562618 /nfs/dbraw/zinc/56/26/18/454562618.db2.gz IOKKWMSNHSJHOR-IBGZPJMESA-N 1 2 338.455 3.004 50 0 EGAALO COc1ccc(F)c(F)c1C(=O)NCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000221386841 456043473 /nfs/dbraw/zinc/04/34/73/456043473.db2.gz RPCAKNISJAWPIT-UHFFFAOYSA-N 1 2 331.322 3.088 50 0 EGAALO COc1ccc(F)c(F)c1C(=O)NCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000221386841 456043477 /nfs/dbraw/zinc/04/34/77/456043477.db2.gz RPCAKNISJAWPIT-UHFFFAOYSA-N 1 2 331.322 3.088 50 0 EGAALO c1ccc(CO[C@@H]2COCC[C@H]2Nc2ccc3ccccc3[nH+]2)nc1 ZINC000222680369 456049462 /nfs/dbraw/zinc/04/94/62/456049462.db2.gz VXSLPGGSIWTHMQ-RTBURBONSA-N 1 2 335.407 3.416 50 0 EGAALO Cc1nc(NCCc2csc(C(C)C)n2)cc(C2CC(O)C2)[nH+]1 ZINC000223666679 456058611 /nfs/dbraw/zinc/05/86/11/456058611.db2.gz 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452793060 /nfs/dbraw/zinc/79/30/60/452793060.db2.gz GOTRUJXLSUACBV-CQSZACIVSA-N 1 2 340.423 3.262 50 0 biogenic EGAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1)CC2 ZINC000004090593 452793067 /nfs/dbraw/zinc/79/30/67/452793067.db2.gz GOTRUJXLSUACBV-CQSZACIVSA-N 1 2 340.423 3.262 50 0 biogenic EGAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3-c2ccccc2Cl)C[C@@H](C)O1 ZINC000009627330 453256962 /nfs/dbraw/zinc/25/69/62/453256962.db2.gz NMSWDQCESUFIPK-VXGBXAGGSA-N 1 2 343.818 3.083 50 0 EGAALO Cc1ccc(CNC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)o1 ZINC000012763709 453401052 /nfs/dbraw/zinc/40/10/52/453401052.db2.gz MGYCVNPRWDVDNT-UHFFFAOYSA-N 1 2 339.395 3.138 50 0 EGAALO Cc1ccc(CNC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)o1 ZINC000012763709 453401057 /nfs/dbraw/zinc/40/10/57/453401057.db2.gz MGYCVNPRWDVDNT-UHFFFAOYSA-N 1 2 339.395 3.138 50 0 EGAALO O=C(Nc1ccc(F)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013324832 453457519 /nfs/dbraw/zinc/45/75/19/453457519.db2.gz PQHOJPRUNGNYPG-UHFFFAOYSA-N 1 2 329.375 3.302 50 0 EGAALO Cc1ccc(C[NH+]2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1 ZINC000016603607 453614628 /nfs/dbraw/zinc/61/46/28/453614628.db2.gz ZADFHYIDHIACSE-SFHVURJKSA-N 1 2 338.451 3.107 50 0 EGAALO Cc1ccccc1C[C@@]1(CO)CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000067725613 453960829 /nfs/dbraw/zinc/96/08/29/453960829.db2.gz JTLOGRPEBOFROM-FQEVSTJZSA-N 1 2 325.456 3.223 50 0 EGAALO CCOc1ccc(C(=O)NCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000043975658 454084578 /nfs/dbraw/zinc/08/45/78/454084578.db2.gz LEYVXXONFODQMA-UHFFFAOYSA-N 1 2 339.439 3.127 50 0 EGAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000043975594 454084742 /nfs/dbraw/zinc/08/47/42/454084742.db2.gz JCFJBRYPOSAZAW-UHFFFAOYSA-N 1 2 331.366 3.006 50 0 EGAALO C[N@H+](CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1)Cc1ccccn1 ZINC000077419400 454104885 /nfs/dbraw/zinc/10/48/85/454104885.db2.gz OERVDUDCVZBNRK-LJQANCHMSA-N 1 2 341.430 3.406 50 0 EGAALO C[N@@H+](CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1)Cc1ccccn1 ZINC000077419400 454104886 /nfs/dbraw/zinc/10/48/86/454104886.db2.gz OERVDUDCVZBNRK-LJQANCHMSA-N 1 2 341.430 3.406 50 0 EGAALO CCOc1cc(-c2[nH+]ccn2CCc2nc(C)cc(C)n2)ccc1O ZINC000071615226 454209295 /nfs/dbraw/zinc/20/92/95/454209295.db2.gz NSCUDDTXBIBJRF-UHFFFAOYSA-N 1 2 338.411 3.304 50 0 EGAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ncc(F)cc2F)C1 ZINC000095498307 454222173 /nfs/dbraw/zinc/22/21/73/454222173.db2.gz QXLQTFAMSWRFQC-ZDUSSCGKSA-N 1 2 348.397 3.376 50 0 EGAALO Cc1cc2[nH+]cn([C@H]3CC(=O)N(Cc4ccccc4)C3=O)c2cc1C ZINC000096059009 454277252 /nfs/dbraw/zinc/27/72/52/454277252.db2.gz AKCWSPBGPWUTAS-SFHVURJKSA-N 1 2 333.391 3.153 50 0 EGAALO CN(C)C(=O)c1ccc(-c2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000096133419 454291138 /nfs/dbraw/zinc/29/11/38/454291138.db2.gz GANYSWZAHBDYNO-UHFFFAOYSA-N 1 2 335.407 3.331 50 0 EGAALO CCCCn1nc([C@@H]2CCOC2)nc1-c1ccc2[nH]c(C)[nH+]c2c1 ZINC000096139150 454291762 /nfs/dbraw/zinc/29/17/62/454291762.db2.gz OLCLTFNMYJVTNJ-CQSZACIVSA-N 1 2 325.416 3.434 50 0 EGAALO CCCCn1nc([C@@H]2CCOC2)nc1-c1ccc2[nH+]c(C)[nH]c2c1 ZINC000096139150 454291765 /nfs/dbraw/zinc/29/17/65/454291765.db2.gz OLCLTFNMYJVTNJ-CQSZACIVSA-N 1 2 325.416 3.434 50 0 EGAALO COC(=O)C[C@H](c1ccc(OC)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232477 454310879 /nfs/dbraw/zinc/31/08/79/454310879.db2.gz PDLRJTHYPOBYKW-GFCCVEGCSA-N 1 2 344.392 3.101 50 0 EGAALO COc1ccccc1-n1nc(CC(C)C)nc1[C@@H](C)n1cc[nH+]c1 ZINC000065375582 454556740 /nfs/dbraw/zinc/55/67/40/454556740.db2.gz JZYGMHKVDMSMBV-CQSZACIVSA-N 1 2 325.416 3.280 50 0 EGAALO CCCn1cnnc1Cn1cnc(-c2ccccc2)c1-c1c[nH]c(C)[nH+]1 ZINC000065433336 454566579 /nfs/dbraw/zinc/56/65/79/454566579.db2.gz CEJARJKXECNEAO-UHFFFAOYSA-N 1 2 347.426 3.298 50 0 EGAALO O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCCc1c[nH+]c[nH]1 ZINC000253396526 455839132 /nfs/dbraw/zinc/83/91/32/455839132.db2.gz BDBRPAKARZFLNT-QGZVFWFLSA-N 1 2 342.830 3.203 50 0 EGAALO O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCCc1c[nH]c[nH+]1 ZINC000253396526 455839135 /nfs/dbraw/zinc/83/91/35/455839135.db2.gz BDBRPAKARZFLNT-QGZVFWFLSA-N 1 2 342.830 3.203 50 0 EGAALO CC(C)n1cc[nH+]c1CNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000222982421 456052812 /nfs/dbraw/zinc/05/28/12/456052812.db2.gz RVWUZPBPXAMGCJ-UHFFFAOYSA-N 1 2 325.334 3.342 50 0 EGAALO CCC[C@@H](NC(=O)c1ccc(-c2ncccc2N)cc1)c1[nH+]ccn1C ZINC000426518765 457847678 /nfs/dbraw/zinc/84/76/78/457847678.db2.gz KHXIRDRIJFJTJH-QGZVFWFLSA-N 1 2 349.438 3.336 50 0 EGAALO Cc1nnc(CN(C)C(=O)c2ccc(-c3cc(C)[nH+]c(C)c3)cc2)o1 ZINC000426642903 457868734 /nfs/dbraw/zinc/86/87/34/457868734.db2.gz NRWSVMIYFYYSLG-UHFFFAOYSA-N 1 2 336.395 3.329 50 0 EGAALO CC(C)Cn1c[nH+]cc1CNC(=O)c1ccc(-c2ncccc2N)cc1 ZINC000426697597 457879422 /nfs/dbraw/zinc/87/94/22/457879422.db2.gz VGTGIESGPSAMRI-UHFFFAOYSA-N 1 2 349.438 3.113 50 0 EGAALO Cn1cc(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc21 ZINC000670452371 548218368 /nfs/dbraw/zinc/21/83/68/548218368.db2.gz HILFTTDYCHWIPT-GOSISDBHSA-N 1 2 338.455 3.148 50 0 EGAALO CN(Cc1nccs1)C(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000826583290 1320389742 /nfs/dbraw/zinc/38/97/42/1320389742.db2.gz BORXUVNHCHHHNZ-QGZVFWFLSA-N 1 2 347.459 3.468 50 0 EGAALO CC(C)C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccn1 ZINC000055042363 214266925 /nfs/dbraw/zinc/26/69/25/214266925.db2.gz MYNGZHJRFCDMKN-UHFFFAOYSA-N 1 2 332.469 3.143 50 0 EGAALO CC(C)C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccn1 ZINC000055042363 214266928 /nfs/dbraw/zinc/26/69/28/214266928.db2.gz MYNGZHJRFCDMKN-UHFFFAOYSA-N 1 2 332.469 3.143 50 0 EGAALO COCC[N@H+](Cc1sccc1C)Cc1c(C)nn(C)c1Cl ZINC000055088877 214271063 /nfs/dbraw/zinc/27/10/63/214271063.db2.gz CGNGEDIAWPKHJV-UHFFFAOYSA-N 1 2 327.881 3.400 50 0 EGAALO COCC[N@@H+](Cc1sccc1C)Cc1c(C)nn(C)c1Cl ZINC000055088877 214271066 /nfs/dbraw/zinc/27/10/66/214271066.db2.gz CGNGEDIAWPKHJV-UHFFFAOYSA-N 1 2 327.881 3.400 50 0 EGAALO COc1cccc([C@H]2CCN2C(=O)CCc2cn3ccccc3[nH+]2)c1 ZINC000097797439 219057693 /nfs/dbraw/zinc/05/76/93/219057693.db2.gz ANYFFFFTLOCAJL-GOSISDBHSA-N 1 2 335.407 3.249 50 0 EGAALO O=C([O-])[C@@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000097831090 219059068 /nfs/dbraw/zinc/05/90/68/219059068.db2.gz LSPBGQNQAVYXKE-XKKXFUJGSA-N 1 2 346.446 3.100 50 0 EGAALO O=C([O-])[C@@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000097831090 219059070 /nfs/dbraw/zinc/05/90/70/219059070.db2.gz LSPBGQNQAVYXKE-XKKXFUJGSA-N 1 2 346.446 3.100 50 0 EGAALO CCc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccccc4)nn32)cc1 ZINC000169754459 529657923 /nfs/dbraw/zinc/65/79/23/529657923.db2.gz HHCPHFOHXAJIIK-HXUWFJFHSA-N 1 2 346.434 3.144 50 0 EGAALO N=c1c2c(ncn1CCCn1cc[nH+]c1)sc1c2CCCCC1 ZINC000100610973 219102725 /nfs/dbraw/zinc/10/27/25/219102725.db2.gz UMGIFIYUCDKWDB-UHFFFAOYSA-N 1 2 327.457 3.133 50 0 EGAALO Cc1ncccc1C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067755947 215205369 /nfs/dbraw/zinc/20/53/69/215205369.db2.gz JUDLUSXLFVGARH-UHFFFAOYSA-N 1 2 346.434 3.351 50 0 EGAALO c1cnn(-c2ccc(Oc3ccccc3C[NH+]3CCOCC3)cc2)c1 ZINC000067920678 215249406 /nfs/dbraw/zinc/24/94/06/215249406.db2.gz MOXOIHRDQHATRN-UHFFFAOYSA-N 1 2 335.407 3.497 50 0 EGAALO c1[nH+]c(-c2ccccc2)c([C@@H]2CCOC2)n1Cc1n[nH]c2c1CCC2 ZINC000067921769 215251837 /nfs/dbraw/zinc/25/18/37/215251837.db2.gz SRYSJNZBGDKRNC-OAHLLOKOSA-N 1 2 334.423 3.314 50 0 EGAALO Cc1cc(C)n(-c2ccc(C(=O)Nc3c[nH+]c4n3CCCC4)cc2)n1 ZINC000067934639 215252282 /nfs/dbraw/zinc/25/22/82/215252282.db2.gz LRWCWCJLBRWHRX-UHFFFAOYSA-N 1 2 335.411 3.274 50 0 EGAALO CCn1nc(C)c([C@H](C)NC(=O)c2ccccc2-c2[nH]cc[nH+]2)c1C ZINC000067966470 215261960 /nfs/dbraw/zinc/26/19/60/215261960.db2.gz RCRZHMXUMYRGCR-LBPRGKRZSA-N 1 2 337.427 3.401 50 0 EGAALO Cc1nc([C@@H](C)[N@H+](C)Cc2cnc(N3CCCC3)nc2)c(C)s1 ZINC000072156529 216045816 /nfs/dbraw/zinc/04/58/16/216045816.db2.gz KTTYGOMEUOTSMV-GFCCVEGCSA-N 1 2 331.489 3.343 50 0 EGAALO Cc1nc([C@@H](C)[N@@H+](C)Cc2cnc(N3CCCC3)nc2)c(C)s1 ZINC000072156529 216045817 /nfs/dbraw/zinc/04/58/17/216045817.db2.gz KTTYGOMEUOTSMV-GFCCVEGCSA-N 1 2 331.489 3.343 50 0 EGAALO OCCc1ccccc1-n1cc[nH+]c1-c1cccc(-n2cccn2)c1 ZINC000072172686 216063677 /nfs/dbraw/zinc/06/36/77/216063677.db2.gz UBYJICONZRFHSZ-UHFFFAOYSA-N 1 2 330.391 3.260 50 0 EGAALO Cc1cc2nc(C)cc(N[C@@H](c3[nH+]ccn3C)c3ccccc3)n2n1 ZINC000072421907 216210701 /nfs/dbraw/zinc/21/07/01/216210701.db2.gz DITSVLPQIFFINQ-GOSISDBHSA-N 1 2 332.411 3.281 50 0 EGAALO CC(C)(O)CCc1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000072431230 216224282 /nfs/dbraw/zinc/22/42/82/216224282.db2.gz PBRAMOIECBZVIT-OAHLLOKOSA-N 1 2 331.378 3.153 50 0 EGAALO CC(C)(O)CCc1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000072431230 216224285 /nfs/dbraw/zinc/22/42/85/216224285.db2.gz PBRAMOIECBZVIT-OAHLLOKOSA-N 1 2 331.378 3.153 50 0 EGAALO CC(C)n1cc[nH+]c1CNC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072469030 216249191 /nfs/dbraw/zinc/24/91/91/216249191.db2.gz WBAKMUVUWMOHBI-UHFFFAOYSA-N 1 2 329.444 3.098 50 0 EGAALO CCCc1nc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000072478204 216257682 /nfs/dbraw/zinc/25/76/82/216257682.db2.gz MLCPUMMUAXZOFQ-UHFFFAOYSA-N 1 2 347.459 3.193 50 0 EGAALO COCC[C@H]1C[N@H+](Cc2cnn(-c3ccc(C(C)C)cc3)c2)CCO1 ZINC000215507393 241129931 /nfs/dbraw/zinc/12/99/31/241129931.db2.gz YYHSYMHOIOKTHJ-FQEVSTJZSA-N 1 2 343.471 3.233 50 0 EGAALO COCC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(C(C)C)cc3)c2)CCO1 ZINC000215507393 241129934 /nfs/dbraw/zinc/12/99/34/241129934.db2.gz YYHSYMHOIOKTHJ-FQEVSTJZSA-N 1 2 343.471 3.233 50 0 EGAALO CCCc1ccc2oc(C(=O)N3CC[NH+](CCOC)CC3)c(C)c2c1 ZINC000020541372 212145890 /nfs/dbraw/zinc/14/58/90/212145890.db2.gz XTKFYGLQYKPKEC-UHFFFAOYSA-N 1 2 344.455 3.098 50 0 EGAALO COc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(OC)c1 ZINC000020537459 212144785 /nfs/dbraw/zinc/14/47/85/212144785.db2.gz KWGNJAIIRPGFQN-LJQANCHMSA-N 1 2 327.424 3.147 50 0 EGAALO COc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c(OC)c1 ZINC000020537459 212144786 /nfs/dbraw/zinc/14/47/86/212144786.db2.gz KWGNJAIIRPGFQN-LJQANCHMSA-N 1 2 327.424 3.147 50 0 EGAALO O=C(CN1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccccc1 ZINC000020523251 212143681 /nfs/dbraw/zinc/14/36/81/212143681.db2.gz 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/nfs/dbraw/zinc/91/86/84/216918684.db2.gz DHWSSASVYBGPAS-UHFFFAOYSA-N 1 2 348.493 3.360 50 0 EGAALO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019787493 212066267 /nfs/dbraw/zinc/06/62/67/212066267.db2.gz WNLDZKBSWBTHLC-UHFFFAOYSA-N 1 2 332.806 3.437 50 0 EGAALO CCn1c(C)c(C2N3CC4(C)C[NH+]2CC(C)(C3)C4=O)c2ccccc21 ZINC000019322794 212015835 /nfs/dbraw/zinc/01/58/35/212015835.db2.gz KDJJXXIPQWYZTB-UHFFFAOYSA-N 1 2 337.467 3.195 50 0 biogenic EGAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCCOc2ccccc2)C1 ZINC000091503555 218013953 /nfs/dbraw/zinc/01/39/53/218013953.db2.gz SVXISFMPWNKMIL-KRWDZBQOSA-N 1 2 341.455 3.468 50 0 EGAALO CC(C)c1nc(CCNC(=O)[C@@H](c2ccccc2F)[NH+](C)C)cs1 ZINC000091636231 218036537 /nfs/dbraw/zinc/03/65/37/218036537.db2.gz JYXBGDOULISFLM-MRXNPFEDSA-N 1 2 349.475 3.367 50 0 EGAALO CCn1cc[nH+]c1CN(C)C(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000091664651 218043082 /nfs/dbraw/zinc/04/30/82/218043082.db2.gz LBJPIQBZQKPCLH-OAHLLOKOSA-N 1 2 337.423 3.482 50 0 EGAALO 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CC(C)(C)NC(=O)C[N@H+](C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000252496746 455814517 /nfs/dbraw/zinc/81/45/17/455814517.db2.gz PQTWZWZXALKMOI-JGZYNSJSSA-N 1 2 330.472 3.096 50 0 EGAALO CC(C)(C)NC(=O)C[N@@H+](C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000252496746 455814521 /nfs/dbraw/zinc/81/45/21/455814521.db2.gz PQTWZWZXALKMOI-JGZYNSJSSA-N 1 2 330.472 3.096 50 0 EGAALO O=C(CCCC(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1)c1ccccc1 ZINC000223846624 456061331 /nfs/dbraw/zinc/06/13/31/456061331.db2.gz RHPSBUNSUDOOED-QGZVFWFLSA-N 1 2 339.439 3.175 50 0 EGAALO Cc1cccn2cc(-c3cccc(NC(=O)c4cc(=O)[nH]cn4)c3)[nH+]c12 ZINC000225526133 456091112 /nfs/dbraw/zinc/09/11/12/456091112.db2.gz RPSXGNBOZJVDQQ-UHFFFAOYSA-N 1 2 345.362 3.058 50 0 EGAALO CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Cn1c3ccccc3[nH+]c1C(C)C)C2 ZINC000426563173 457855503 /nfs/dbraw/zinc/85/55/03/457855503.db2.gz LVRNAUQSKAWQDY-QWHZDKJVSA-N 1 2 341.455 3.043 50 0 EGAALO Cn1c(C(=O)NCc2c[nH+]cn2C2CC2)cc2ccc(Cl)cc21 ZINC000426597418 457860735 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ZINC000670455840 548217731 /nfs/dbraw/zinc/21/77/31/548217731.db2.gz KMANRQQQSAOIMZ-MRXNPFEDSA-N 1 2 347.484 3.215 50 0 EGAALO Cc1ccc(F)c(Cn2ccnc2C(C)(C)C[NH+]2CCOCC2)c1F ZINC000071752093 1292267539 /nfs/dbraw/zinc/26/75/39/1292267539.db2.gz DAYLLJHTRASDOB-UHFFFAOYSA-N 1 2 349.425 3.128 50 0 EGAALO Cc1ccc(F)c(Cn2cc[nH+]c2C(C)(C)CN2CCOCC2)c1F ZINC000071752093 1292267546 /nfs/dbraw/zinc/26/75/46/1292267546.db2.gz DAYLLJHTRASDOB-UHFFFAOYSA-N 1 2 349.425 3.128 50 0 EGAALO Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(-c2ccccc2O)n1 ZINC001704278189 1416417992 /nfs/dbraw/zinc/41/79/92/1416417992.db2.gz CHTRIFUINKMAOX-HNNXBMFYSA-N 1 2 338.411 3.465 50 0 EGAALO Cc1nc2sc3c(c2c2nc(-c4ccccc4)nn21)CC[N@@H+](C)C3 ZINC000020566727 282138949 /nfs/dbraw/zinc/13/89/49/282138949.db2.gz YLYQYEKYVVZZJM-UHFFFAOYSA-N 1 2 335.436 3.302 50 0 EGAALO Cc1nc2sc3c(c2c2nc(-c4ccccc4)nn21)CC[N@H+](C)C3 ZINC000020566727 282138950 /nfs/dbraw/zinc/13/89/50/282138950.db2.gz YLYQYEKYVVZZJM-UHFFFAOYSA-N 1 2 335.436 3.302 50 0 EGAALO 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Cn1cnnc1Sc1ccc(C[N@@H+]2CCc3sccc3C2)o1 ZINC000219848524 456036861 /nfs/dbraw/zinc/03/68/61/456036861.db2.gz YRDTWTZMSYYGMG-UHFFFAOYSA-N 1 2 332.454 3.179 50 0 EGAALO Cn1cnnc1Sc1ccc(C[N@H+]2CCc3sccc3C2)o1 ZINC000219848524 456036867 /nfs/dbraw/zinc/03/68/67/456036867.db2.gz YRDTWTZMSYYGMG-UHFFFAOYSA-N 1 2 332.454 3.179 50 0 EGAALO O=C(CCc1ccccc1Cl)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000220681653 456040156 /nfs/dbraw/zinc/04/01/56/456040156.db2.gz SSFUXCDVQIKVIH-HNNXBMFYSA-N 1 2 331.847 3.408 50 0 EGAALO CCn1cc[nH+]c1CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000222612391 456048248 /nfs/dbraw/zinc/04/82/48/456048248.db2.gz BGXDHPSPPRLFJE-ZDUSSCGKSA-N 1 2 335.835 3.291 50 0 EGAALO Cc1ccc(SC2CCN(C(=O)NCc3[nH+]ccn3C)CC2)cc1 ZINC000426387152 457819687 /nfs/dbraw/zinc/81/96/87/457819687.db2.gz VUPXUULTUUWZRH-UHFFFAOYSA-N 1 2 344.484 3.195 50 0 EGAALO C[C@H](CNC(=O)N1CCC2(CCc3ccccc32)CC1)n1cc[nH+]c1 ZINC000534591406 459335608 /nfs/dbraw/zinc/33/56/08/459335608.db2.gz KQFXTHVCKMYYGC-MRXNPFEDSA-N 1 2 338.455 3.134 50 0 EGAALO O=C(NCCCc1ccco1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000534591621 459335786 /nfs/dbraw/zinc/33/57/86/459335786.db2.gz JTONRBKMEOLETL-INIZCTEOSA-N 1 2 330.432 3.063 50 0 EGAALO CC[NH+]1CCC([NH2+][C@@H](CCn2cc[nH+]c2C)c2ccccc2)CC1 ZINC000670471489 548221341 /nfs/dbraw/zinc/22/13/41/548221341.db2.gz CHOKNSYTCIGECG-FQEVSTJZSA-N 1 2 326.488 3.397 50 0 EGAALO CCCCc1ncc(C[N@H+]2CCC[C@]3(CCc4cnc(C)nc43)C2)[nH]1 ZINC001704337169 1416448380 /nfs/dbraw/zinc/44/83/80/1416448380.db2.gz OAIZMQFHOGIBKM-FQEVSTJZSA-N 1 2 339.487 3.331 50 0 EGAALO CCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2)c1=[NH2+] ZINC000019732870 202017395 /nfs/dbraw/zinc/01/73/95/202017395.db2.gz KQSAGMZSPCTLJX-AWEZNQCLSA-N 1 2 345.830 3.035 50 0 EGAALO CCCn1c2ccccc2n(CCOc2ccc(OC)cc2)c1=[NH2+] ZINC000019907309 202025012 /nfs/dbraw/zinc/02/50/12/202025012.db2.gz PTWKKKSNTGCGKY-UHFFFAOYSA-N 1 2 325.412 3.420 50 0 EGAALO Clc1ccccc1C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000020495073 202046863 /nfs/dbraw/zinc/04/68/63/202046863.db2.gz IINHRQPYZKLEBC-UHFFFAOYSA-N 1 2 340.858 3.306 50 0 EGAALO CCn1cc[nH+]c1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000020637579 202051311 /nfs/dbraw/zinc/05/13/11/202051311.db2.gz BBZHHBCRULQZNQ-UHFFFAOYSA-N 1 2 330.395 3.272 50 0 EGAALO c1cncc(C[N@@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)c1 ZINC000023339645 202102672 /nfs/dbraw/zinc/10/26/72/202102672.db2.gz OTOSNLCTVRMVBZ-UHFFFAOYSA-N 1 2 335.363 3.024 50 0 EGAALO c1cncc(C[N@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)c1 ZINC000023339645 202102677 /nfs/dbraw/zinc/10/26/77/202102677.db2.gz OTOSNLCTVRMVBZ-UHFFFAOYSA-N 1 2 335.363 3.024 50 0 EGAALO Cc1ccc(NC(=O)C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000038571094 202138670 /nfs/dbraw/zinc/13/86/70/202138670.db2.gz JXOQKMZOOIJUFA-SFHVURJKSA-N 1 2 347.418 3.202 50 0 biogenic EGAALO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3ccc(Cl)cc23)CC1 ZINC000006661495 201363692 /nfs/dbraw/zinc/36/36/92/201363692.db2.gz YTJIYIKPZLTXKP-UHFFFAOYSA-N 1 2 349.814 3.222 50 0 EGAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cnc(-c3ccccc3)s1)C2 ZINC000097198905 201380970 /nfs/dbraw/zinc/38/09/70/201380970.db2.gz YXJFPVJBSWBEIR-AWEZNQCLSA-N 1 2 338.436 3.060 50 0 EGAALO Cc1cccn2c(=O)cc(C[N@@H+]3CCO[C@@H](CCCC(C)C)C3)nc12 ZINC000071422346 203094982 /nfs/dbraw/zinc/09/49/82/203094982.db2.gz WIKLUWIHHRZCSN-SFHVURJKSA-N 1 2 343.471 3.030 50 0 EGAALO Cc1cccn2c(=O)cc(C[N@H+]3CCO[C@@H](CCCC(C)C)C3)nc12 ZINC000071422346 203094986 /nfs/dbraw/zinc/09/49/86/203094986.db2.gz WIKLUWIHHRZCSN-SFHVURJKSA-N 1 2 343.471 3.030 50 0 EGAALO CCC1=NO[C@@H](C[N@@H+]2CCc3n[nH]c(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000071315739 203091607 /nfs/dbraw/zinc/09/16/07/203091607.db2.gz UMQAXOPKGQXFAG-CYBMUJFWSA-N 1 2 346.381 3.268 50 0 EGAALO CCC1=NO[C@@H](C[N@H+]2CCc3n[nH]c(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000071315739 203091610 /nfs/dbraw/zinc/09/16/10/203091610.db2.gz UMQAXOPKGQXFAG-CYBMUJFWSA-N 1 2 346.381 3.268 50 0 EGAALO CC[C@H]1C[N@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)CCO1 ZINC000071747467 203106658 /nfs/dbraw/zinc/10/66/58/203106658.db2.gz OJMGWMLQHRJEGF-ZDUSSCGKSA-N 1 2 334.391 3.409 50 0 EGAALO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)CCO1 ZINC000071747467 203106661 /nfs/dbraw/zinc/10/66/61/203106661.db2.gz OJMGWMLQHRJEGF-ZDUSSCGKSA-N 1 2 334.391 3.409 50 0 EGAALO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)CCO1 ZINC000071747466 203107237 /nfs/dbraw/zinc/10/72/37/203107237.db2.gz OJMGWMLQHRJEGF-CYBMUJFWSA-N 1 2 334.391 3.409 50 0 EGAALO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)CCO1 ZINC000071747466 203107240 /nfs/dbraw/zinc/10/72/40/203107240.db2.gz OJMGWMLQHRJEGF-CYBMUJFWSA-N 1 2 334.391 3.409 50 0 EGAALO COc1ccc(-c2nc(C[N@@H+]3CCOC(C)(C)C3)c(C)o2)c(F)c1 ZINC000071751421 203108433 /nfs/dbraw/zinc/10/84/33/203108433.db2.gz JROFIGMIIRFTDJ-UHFFFAOYSA-N 1 2 334.391 3.409 50 0 EGAALO COc1ccc(-c2nc(C[N@H+]3CCOC(C)(C)C3)c(C)o2)c(F)c1 ZINC000071751421 203108440 /nfs/dbraw/zinc/10/84/40/203108440.db2.gz JROFIGMIIRFTDJ-UHFFFAOYSA-N 1 2 334.391 3.409 50 0 EGAALO O=C(NCc1cn2ccccc2[nH+]1)c1cc(N2CCCCCC2)ccn1 ZINC000072130891 203166126 /nfs/dbraw/zinc/16/61/26/203166126.db2.gz LIVNLZOZRFSPAA-UHFFFAOYSA-N 1 2 349.438 3.040 50 0 EGAALO Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)NCc1cccc(F)c1 ZINC000072143213 203168389 /nfs/dbraw/zinc/16/83/89/203168389.db2.gz QATGQIGMDJBIIV-KRWDZBQOSA-N 1 2 344.434 3.256 50 0 EGAALO Cc1ccc(OC2(C(=O)[O-])CC[NH+](C[C@@H]3CC=CCC3)CC2)c(C)[nH+]1 ZINC000072475379 203231187 /nfs/dbraw/zinc/23/11/87/203231187.db2.gz VUEBHFGOCNCOOB-QGZVFWFLSA-N 1 2 344.455 3.353 50 0 EGAALO COc1ccc(CN2CC[N@H+](Cc3ccc4[nH]ccc4c3)CC2=O)cc1 ZINC000072410287 203216992 /nfs/dbraw/zinc/21/69/92/203216992.db2.gz PZJXRSLEYVHWPP-UHFFFAOYSA-N 1 2 349.434 3.021 50 0 EGAALO COc1ccc(CN2CC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2=O)cc1 ZINC000072410287 203216996 /nfs/dbraw/zinc/21/69/96/203216996.db2.gz PZJXRSLEYVHWPP-UHFFFAOYSA-N 1 2 349.434 3.021 50 0 EGAALO Cc1nn2c(nc(-c3ccccc3)cc2N(C)Cc2[nH+]ccn2C)c1C ZINC000072423055 203220070 /nfs/dbraw/zinc/22/00/70/203220070.db2.gz 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132191688 /nfs/dbraw/zinc/19/16/88/132191688.db2.gz CPOKZNMWEWFGGX-UHFFFAOYSA-N 1 2 341.430 3.203 50 0 EGAALO COc1ccc([C@@H]2CC(=O)NCc3[nH+]c4ccc(C)cn4c32)cc1C ZINC000065429076 277927003 /nfs/dbraw/zinc/92/70/03/277927003.db2.gz LEQUNQAAHYEPIU-HNNXBMFYSA-N 1 2 335.407 3.112 50 0 EGAALO O=C(NCCCn1cc[nH+]c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000002465513 452700097 /nfs/dbraw/zinc/70/00/97/452700097.db2.gz KMPHWAGSDPATHS-UHFFFAOYSA-N 1 2 330.775 3.012 50 0 EGAALO FC(F)(F)c1cccc(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000002817056 452728245 /nfs/dbraw/zinc/72/82/45/452728245.db2.gz LCXYTKRGLGDCJM-UHFFFAOYSA-N 1 2 328.363 3.279 50 0 EGAALO CCn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1ccccn1 ZINC000013322833 453458333 /nfs/dbraw/zinc/45/83/33/453458333.db2.gz UNCOURHEFBELGS-UHFFFAOYSA-N 1 2 336.424 3.300 50 0 EGAALO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[NH+](C)CC1 ZINC000013692597 453481749 /nfs/dbraw/zinc/48/17/49/453481749.db2.gz ZDUWEPFJGPLEON-UHFFFAOYSA-N 1 2 335.860 3.160 50 0 EGAALO CCOc1cccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000016603567 453614436 /nfs/dbraw/zinc/61/44/36/453614436.db2.gz DKPORVUKEZNHHV-UHFFFAOYSA-N 1 2 342.414 3.182 50 0 EGAALO Cc1nc2sc([C@H](c3ccco3)[NH+]3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 ZINC000023158086 453705791 /nfs/dbraw/zinc/70/57/91/453705791.db2.gz KNNOMGOJHQKQJB-GYSYKLTISA-N 1 2 346.456 3.465 50 0 EGAALO Cc1cn2cc(C(=O)NCCCc3nc(C)c(C)s3)ccc2[nH+]1 ZINC000082106683 453923860 /nfs/dbraw/zinc/92/38/60/453923860.db2.gz BPLXGWQKSNPHNR-UHFFFAOYSA-N 1 2 328.441 3.079 50 0 EGAALO OC[C@H](Cc1cccs1)Cn1cc[nH+]c1-c1ccc2c(c1)OCO2 ZINC000082097818 453924095 /nfs/dbraw/zinc/92/40/95/453924095.db2.gz VICJNIROVPIPJQ-CYBMUJFWSA-N 1 2 342.420 3.192 50 0 EGAALO O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082139196 453926456 /nfs/dbraw/zinc/92/64/56/453926456.db2.gz AMGBESVIKHWEGA-KRWDZBQOSA-N 1 2 341.430 3.381 50 0 EGAALO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082139197 453926500 /nfs/dbraw/zinc/92/65/00/453926500.db2.gz 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CSc1cccc(C[N@@H+]2CCN(CC=C(C)C)[C@H](CCO)C2)c1 ZINC000104442630 454586676 /nfs/dbraw/zinc/58/66/76/454586676.db2.gz ARPDMQUXPBPPIH-GOSISDBHSA-N 1 2 334.529 3.243 50 0 EGAALO CSc1cccc(C[N@H+]2CCN(CC=C(C)C)[C@H](CCO)C2)c1 ZINC000104442630 454586683 /nfs/dbraw/zinc/58/66/83/454586683.db2.gz ARPDMQUXPBPPIH-GOSISDBHSA-N 1 2 334.529 3.243 50 0 EGAALO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc2cc(F)ccc2s1 ZINC000178961805 454993342 /nfs/dbraw/zinc/99/33/42/454993342.db2.gz PDEHVEIDXMPDKI-AWEZNQCLSA-N 1 2 341.411 3.444 50 0 EGAALO Nc1ccc(-c2ccc(C(=O)NCCCOC3CCCC3)cc2)c[nH+]1 ZINC000426436537 457830266 /nfs/dbraw/zinc/83/02/66/457830266.db2.gz ISCHYNGKAZRAIX-UHFFFAOYSA-N 1 2 339.439 3.240 50 0 EGAALO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ncc(Cl)n2C)c1 ZINC000585135095 459827679 /nfs/dbraw/zinc/82/76/79/459827679.db2.gz XJCYGTOFYLJLNU-LBPRGKRZSA-N 1 2 334.851 3.064 50 0 EGAALO O=C(Nc1c(F)cccc1F)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575613227 459983784 /nfs/dbraw/zinc/98/37/84/459983784.db2.gz 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CCc1[nH+]c(C)ccc1OCC(=O)Nc1ccnn1[C@@H](C)C(C)C ZINC000055254641 453972972 /nfs/dbraw/zinc/97/29/72/453972972.db2.gz XGUXYQMDDXGEFE-AWEZNQCLSA-N 1 2 330.432 3.383 50 0 EGAALO CC[C@@H](CO)[N@H+](Cc1c(C)nn(C)c1Cl)Cc1ccc(F)cc1 ZINC000055281757 453974070 /nfs/dbraw/zinc/97/40/70/453974070.db2.gz OORYUJCLQDXGJI-HNNXBMFYSA-N 1 2 339.842 3.294 50 0 EGAALO CC[C@@H](CO)[N@@H+](Cc1c(C)nn(C)c1Cl)Cc1ccc(F)cc1 ZINC000055281757 453974074 /nfs/dbraw/zinc/97/40/74/453974074.db2.gz OORYUJCLQDXGJI-HNNXBMFYSA-N 1 2 339.842 3.294 50 0 EGAALO Cc1cc2[nH]c(-c3ccc(OCC(N)=O)c(Cl)c3)[nH+]c2cc1C ZINC000055325988 453976580 /nfs/dbraw/zinc/97/65/80/453976580.db2.gz VECSPRILTCHOOP-UHFFFAOYSA-N 1 2 329.787 3.364 50 0 EGAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(Cl)cc2-c2ccccc2)C[NH2+]1 ZINC000042783145 454024798 /nfs/dbraw/zinc/02/47/98/454024798.db2.gz LIDRQOIEUNZWHK-HOCLYGCPSA-N 1 2 331.799 3.289 50 0 EGAALO CC(=O)c1ccc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)s1 ZINC000077322548 454091439 /nfs/dbraw/zinc/09/14/39/454091439.db2.gz VKXGITMRFDWTRP-INIZCTEOSA-N 1 2 342.464 3.079 50 0 EGAALO CC(=O)c1ccc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)s1 ZINC000077322548 454091440 /nfs/dbraw/zinc/09/14/40/454091440.db2.gz VKXGITMRFDWTRP-INIZCTEOSA-N 1 2 342.464 3.079 50 0 EGAALO COc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044933278 454127142 /nfs/dbraw/zinc/12/71/42/454127142.db2.gz IYRJTEVAMCLGMG-HNNXBMFYSA-N 1 2 335.407 3.431 50 0 EGAALO COC(=O)C[C@@H](c1ccc(OC)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232478 454310882 /nfs/dbraw/zinc/31/08/82/454310882.db2.gz PDLRJTHYPOBYKW-LBPRGKRZSA-N 1 2 344.392 3.101 50 0 EGAALO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)no1 ZINC000097076484 454399459 /nfs/dbraw/zinc/39/94/59/454399459.db2.gz QXVUXFYGWUCKNY-INIZCTEOSA-N 1 2 348.472 3.003 50 0 EGAALO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cnc(N3CCOCC3)s2)no1 ZINC000097076484 454399462 /nfs/dbraw/zinc/39/94/62/454399462.db2.gz QXVUXFYGWUCKNY-INIZCTEOSA-N 1 2 348.472 3.003 50 0 EGAALO CCc1ccc2c(CC(=O)N[C@H]3CCc4[nH+]c(C)cn4C3)coc2c1 ZINC000097199164 454422258 /nfs/dbraw/zinc/42/22/58/454422258.db2.gz SJQJTVXWOQWFTC-INIZCTEOSA-N 1 2 337.423 3.174 50 0 EGAALO Cc1ccc2[nH]c(CCCN3C[C@]4(CCOC4)CCC3=O)[nH+]c2c1C ZINC000091487011 454442088 /nfs/dbraw/zinc/44/20/88/454442088.db2.gz PSGIWWVMEKUTTG-HXUWFJFHSA-N 1 2 341.455 3.141 50 0 EGAALO CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097610020 454442118 /nfs/dbraw/zinc/44/21/18/454442118.db2.gz JULSZQUXXCKCEO-UHFFFAOYSA-N 1 2 349.419 3.149 50 0 EGAALO Cn1cc[nH+]c1C1CCN(C(=O)c2ccc(Cn3cccc3)cc2)CC1 ZINC000091621331 454450661 /nfs/dbraw/zinc/45/06/61/454450661.db2.gz LRNLZLRQJCKESC-UHFFFAOYSA-N 1 2 348.450 3.290 50 0 EGAALO Brc1cccnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000048759788 454513898 /nfs/dbraw/zinc/51/38/98/454513898.db2.gz URPAKAVQEQIQGI-UHFFFAOYSA-N 1 2 332.245 3.166 50 0 EGAALO CC(C)Cc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)n[nH]1 ZINC000065455471 454570274 /nfs/dbraw/zinc/57/02/74/454570274.db2.gz LTBHAQPWUPAOTG-RBUKOAKNSA-N 1 2 331.435 3.098 50 0 EGAALO CC(C)Cc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)n[nH]1 ZINC000065455471 454570279 /nfs/dbraw/zinc/57/02/79/454570279.db2.gz LTBHAQPWUPAOTG-RBUKOAKNSA-N 1 2 331.435 3.098 50 0 EGAALO Cc1cc2cc(C(=O)NCCSCc3[nH]c[nH+]c3C)ccc2o1 ZINC000065525908 454584140 /nfs/dbraw/zinc/58/41/40/454584140.db2.gz ZEALOIAOPSSDNS-UHFFFAOYSA-N 1 2 329.425 3.436 50 0 EGAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2cc(F)ccc2s1 ZINC000178961813 454993693 /nfs/dbraw/zinc/99/36/93/454993693.db2.gz PDEHVEIDXMPDKI-CQSZACIVSA-N 1 2 341.411 3.444 50 0 EGAALO Fc1ccc(OC2CN(Cc3c[nH+]cn3Cc3ccccc3)C2)cc1 ZINC000252479568 455807531 /nfs/dbraw/zinc/80/75/31/455807531.db2.gz BHQDOWIRGMWJQV-UHFFFAOYSA-N 1 2 337.398 3.334 50 0 EGAALO CCSc1ccccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000253407496 455840224 /nfs/dbraw/zinc/84/02/24/455840224.db2.gz WMUIAOOEDOGXFF-HNNXBMFYSA-N 1 2 328.437 3.487 50 0 EGAALO O=C(CCc1ccccc1Cl)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000220681716 456040675 /nfs/dbraw/zinc/04/06/75/456040675.db2.gz SSFUXCDVQIKVIH-OAHLLOKOSA-N 1 2 331.847 3.408 50 0 EGAALO COc1ccc(Cl)cc1CN(C)c1cc(C2CC(O)C2)[nH+]c(C)n1 ZINC000222326487 456046268 /nfs/dbraw/zinc/04/62/68/456046268.db2.gz LGUVISDODHMJMN-UHFFFAOYSA-N 1 2 347.846 3.322 50 0 EGAALO Cc1ncsc1CCN(C)C(=O)c1cccc(-c2[nH+]ccn2C)c1 ZINC000426622926 457864585 /nfs/dbraw/zinc/86/45/85/457864585.db2.gz KUHLZXVSFIMHGS-UHFFFAOYSA-N 1 2 340.452 3.167 50 0 EGAALO CO[C@]12CC[N@H+](Cc3c(Cl)ccc(O)c3Cl)[C@H]1C[C@@H](O)CC2 ZINC000426737517 457890356 /nfs/dbraw/zinc/89/03/56/457890356.db2.gz NPYOUDGTTAMNIN-JMPLFQLZSA-N 1 2 346.254 3.203 50 0 EGAALO CO[C@]12CC[N@@H+](Cc3c(Cl)ccc(O)c3Cl)[C@H]1C[C@@H](O)CC2 ZINC000426737517 457890359 /nfs/dbraw/zinc/89/03/59/457890359.db2.gz NPYOUDGTTAMNIN-JMPLFQLZSA-N 1 2 346.254 3.203 50 0 EGAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000585149211 459830579 /nfs/dbraw/zinc/83/05/79/459830579.db2.gz FZFGWRVSLMYTSJ-ZDUSSCGKSA-N 1 2 347.465 3.042 50 0 EGAALO O=C(Cc1cccnc1)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000585150472 459831671 /nfs/dbraw/zinc/83/16/71/459831671.db2.gz MXPZSZYGTKIRIE-UHFFFAOYSA-N 1 2 332.407 3.463 50 0 EGAALO Cc1ccn2cc(-c3ccc(NC(=O)c4coc(C[NH3+])n4)cc3)nc2c1 ZINC000952987205 1334631301 /nfs/dbraw/zinc/63/13/01/1334631301.db2.gz KMWGHNLWLAIEBP-UHFFFAOYSA-N 1 2 347.378 3.009 50 0 EGAALO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000012380434 201842789 /nfs/dbraw/zinc/84/27/89/201842789.db2.gz JUTZKMFFPHIZLW-CQSZACIVSA-N 1 2 348.830 3.045 50 0 EGAALO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2cccnc2)CC1 ZINC000019790066 202021515 /nfs/dbraw/zinc/02/15/15/202021515.db2.gz HMMKOAZDDOWHDF-UHFFFAOYSA-N 1 2 331.419 3.193 50 0 EGAALO CC(=O)c1cccc(C[N@@H+]2CCO[C@@H](Cc3cccc(F)c3)C2)c1 ZINC000020454766 202043130 /nfs/dbraw/zinc/04/31/30/202043130.db2.gz XGUSZEVBFWMTHC-FQEVSTJZSA-N 1 2 327.399 3.472 50 0 EGAALO CC(=O)c1cccc(C[N@H+]2CCO[C@@H](Cc3cccc(F)c3)C2)c1 ZINC000020454766 202043132 /nfs/dbraw/zinc/04/31/32/202043132.db2.gz XGUSZEVBFWMTHC-FQEVSTJZSA-N 1 2 327.399 3.472 50 0 EGAALO Cc1c[nH+]c(Cn2cnc3sc4c(c3c2=O)CCCCCC4)[nH]1 ZINC000032541244 202226485 /nfs/dbraw/zinc/22/64/85/202226485.db2.gz WJUZQKWORJPHPM-UHFFFAOYSA-N 1 2 328.441 3.197 50 0 EGAALO C[C@@H]1C[NH+](Cc2cc(=O)oc3cc4c(cc23)CCCC4)C[C@@H](C)O1 ZINC000020437009 201371144 /nfs/dbraw/zinc/37/11/44/201371144.db2.gz AMGBGHBXOUJYSW-ZIAGYGMSSA-N 1 2 327.424 3.281 50 0 EGAALO O=C(/C=C/c1ccccc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153101463 201392731 /nfs/dbraw/zinc/39/27/31/201392731.db2.gz PINXNZFOQBORGH-HVHJFMEUSA-N 1 2 327.815 3.143 50 0 EGAALO C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182582 212358555 /nfs/dbraw/zinc/35/85/55/212358555.db2.gz MBGSMOUVBQVGNH-PBHICJAKSA-N 1 2 345.468 3.332 50 0 EGAALO O=C(N[C@H]1COC2(C1)CCCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000244828599 243089573 /nfs/dbraw/zinc/08/95/73/243089573.db2.gz TZDJNOIRYWMPEY-MRXNPFEDSA-N 1 2 325.412 3.094 50 0 EGAALO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072153091 203173774 /nfs/dbraw/zinc/17/37/74/203173774.db2.gz YXQYYCRDIKEZJO-INIZCTEOSA-N 1 2 332.423 3.097 50 0 EGAALO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072153091 203173778 /nfs/dbraw/zinc/17/37/78/203173778.db2.gz YXQYYCRDIKEZJO-INIZCTEOSA-N 1 2 332.423 3.097 50 0 EGAALO CC(=O)C1(c2ccccc2)CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000072163858 203177478 /nfs/dbraw/zinc/17/74/78/203177478.db2.gz RLCUHOYKLLRWPN-UHFFFAOYSA-N 1 2 325.412 3.070 50 0 EGAALO COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000072441744 203225192 /nfs/dbraw/zinc/22/51/92/203225192.db2.gz DRQGZUNOYYNPFF-OAHLLOKOSA-N 1 2 335.407 3.431 50 0 EGAALO Cc1ccc(NC(=O)C[C@H]2COCC[N@@H+]2Cc2ccoc2)cc1Cl ZINC000072454819 203228028 /nfs/dbraw/zinc/22/80/28/203228028.db2.gz KEXFMSOILQHRHE-INIZCTEOSA-N 1 2 348.830 3.471 50 0 EGAALO Cc1ccc(NC(=O)C[C@H]2COCC[N@H+]2Cc2ccoc2)cc1Cl ZINC000072454819 203228031 /nfs/dbraw/zinc/22/80/31/203228031.db2.gz KEXFMSOILQHRHE-INIZCTEOSA-N 1 2 348.830 3.471 50 0 EGAALO Cc1ccc(C)c(-n2cc(C[NH+]3CC(O)C3)c(-c3ccccc3)n2)c1 ZINC000072407244 203216635 /nfs/dbraw/zinc/21/66/35/203216635.db2.gz MDRVJUSDUVGDHY-UHFFFAOYSA-N 1 2 333.435 3.333 50 0 EGAALO NC(=O)COc1cccc(-c2[nH+]ccn2[C@@H]2CCc3ccccc3C2)c1 ZINC000072431767 203223624 /nfs/dbraw/zinc/22/36/24/203223624.db2.gz GUARPILSCNIMNR-GOSISDBHSA-N 1 2 347.418 3.144 50 0 EGAALO Cc1ccccc1[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccncc2)C1 ZINC000077375740 203383010 /nfs/dbraw/zinc/38/30/10/203383010.db2.gz NSZYKNZNCOFBLE-LJQANCHMSA-N 1 2 337.467 3.228 50 0 EGAALO Cc1ccccc1[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccncc2)C1 ZINC000077375740 203383014 /nfs/dbraw/zinc/38/30/14/203383014.db2.gz NSZYKNZNCOFBLE-LJQANCHMSA-N 1 2 337.467 3.228 50 0 EGAALO Fc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000077455286 203389706 /nfs/dbraw/zinc/38/97/06/203389706.db2.gz HUCIYZHZHQEYJW-CQSZACIVSA-N 1 2 325.391 3.114 50 0 EGAALO Fc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000077455286 203389707 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Cc1c[nH]c([C@@H](C)NC(=O)N2CCC(Oc3ccc(C)cc3)CC2)[nH+]1 ZINC000534651822 459343083 /nfs/dbraw/zinc/34/30/83/459343083.db2.gz CVEUTUMLGYNKBL-OAHLLOKOSA-N 1 2 342.443 3.341 50 0 EGAALO CC[NH+]1CCC([NH2+][C@H](CCn2cc[nH+]c2C)c2ccccc2)CC1 ZINC000670471490 548221618 /nfs/dbraw/zinc/22/16/18/548221618.db2.gz CHOKNSYTCIGECG-HXUWFJFHSA-N 1 2 326.488 3.397 50 0 EGAALO Cc1[nH]c(CN(CCO)C(=O)CCCc2ccc(C(C)C)cc2)c[nH+]1 ZINC001704330902 1416446143 /nfs/dbraw/zinc/44/61/43/1416446143.db2.gz LTVACGCKYJSFDU-UHFFFAOYSA-N 1 2 343.471 3.185 50 0 EGAALO Cc1[nH]cc(CN(CCO)C(=O)CCCc2ccc(C(C)C)cc2)[nH+]1 ZINC001704330902 1416446144 /nfs/dbraw/zinc/44/61/44/1416446144.db2.gz LTVACGCKYJSFDU-UHFFFAOYSA-N 1 2 343.471 3.185 50 0 EGAALO CC(C)CCOc1ccccc1CCNc1nnc(C[NH+](C)C)o1 ZINC001772708321 1441417070 /nfs/dbraw/zinc/41/70/70/1441417070.db2.gz BOZKWKFCVWIIDB-UHFFFAOYSA-N 1 2 332.448 3.211 50 0 EGAALO CCCC12CN3CC(C)(C[N@H+](C1)C3c1c(C)[nH]c3ccccc31)C2=O ZINC000019323310 202004425 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Cc1ccccc1-n1nnnc1[C@@H]1c2ccccc2CC(C)(C)[N@@H+]1C ZINC000020463210 202044288 /nfs/dbraw/zinc/04/42/88/202044288.db2.gz IZNSHDYAYCYUFQ-SFHVURJKSA-N 1 2 333.439 3.327 50 0 EGAALO Cc1ccccc1-n1nnnc1[C@@H]1c2ccccc2CC(C)(C)[N@H+]1C ZINC000020463210 202044291 /nfs/dbraw/zinc/04/42/91/202044291.db2.gz IZNSHDYAYCYUFQ-SFHVURJKSA-N 1 2 333.439 3.327 50 0 EGAALO [NH2+]=c1n(Cc2ccc(Cl)cc2Cl)nnn1C1CCCCC1 ZINC000025757106 202135391 /nfs/dbraw/zinc/13/53/91/202135391.db2.gz MAEZAZYCNWBREL-UHFFFAOYSA-N 1 2 326.231 3.419 50 0 EGAALO Cc1ccccc1C(=O)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253398904 201186678 /nfs/dbraw/zinc/18/66/78/201186678.db2.gz HVMQZJYHTKJQQC-KRWDZBQOSA-N 1 2 330.453 3.108 50 0 EGAALO Cc1cccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023105695 212347564 /nfs/dbraw/zinc/34/75/64/212347564.db2.gz OUOLKYNKKVFNPU-INIZCTEOSA-N 1 2 345.468 3.252 50 0 EGAALO COc1cc(C)ccc1C[N@@H+]1CCN(Cc2ccccc2)C(=O)[C@@H]1C ZINC000216481778 241195258 /nfs/dbraw/zinc/19/52/58/241195258.db2.gz 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203168907 /nfs/dbraw/zinc/16/89/07/203168907.db2.gz HMGPOIOYUSTUSL-UHFFFAOYSA-N 1 2 326.415 3.287 50 0 EGAALO CNc1cc(C)[nH+]c(-c2cc(NCc3ccccn3)nc3[nH]ccc32)n1 ZINC000072159441 203176702 /nfs/dbraw/zinc/17/67/02/203176702.db2.gz WIHXKBVGGJAWAB-UHFFFAOYSA-N 1 2 345.410 3.377 50 0 EGAALO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c(F)c(F)c(C)c(F)c1F ZINC000072166925 203179432 /nfs/dbraw/zinc/17/94/32/203179432.db2.gz DWERIONRLKMEMU-GFCCVEGCSA-N 1 2 346.368 3.432 50 0 EGAALO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1c(F)c(F)c(C)c(F)c1F ZINC000072166925 203179435 /nfs/dbraw/zinc/17/94/35/203179435.db2.gz DWERIONRLKMEMU-GFCCVEGCSA-N 1 2 346.368 3.432 50 0 EGAALO CCCc1nc2c(cnn2C)c(NCCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000072408001 203215441 /nfs/dbraw/zinc/21/54/41/203215441.db2.gz VLZJQLOTEZCDJD-UHFFFAOYSA-N 1 2 349.442 3.237 50 0 EGAALO Cc1ccc(N2CCN(c3ccc(Cn4cc[nH+]c4)cn3)[C@H](C)C2)cc1 ZINC000077287556 203378490 /nfs/dbraw/zinc/37/84/90/203378490.db2.gz QSRACJBFBSDGCZ-GOSISDBHSA-N 1 2 347.466 3.350 50 0 EGAALO Cc1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)nc(C(C)C)[nH+]1 ZINC000077406216 203385744 /nfs/dbraw/zinc/38/57/44/203385744.db2.gz MCIKIDVRPJKFSD-HXUWFJFHSA-N 1 2 342.487 3.280 50 0 EGAALO Cc1noc2ncnc(N3CCC[C@@H](Cc4[nH]c5ccccc5[nH+]4)C3)c12 ZINC000077426117 203388843 /nfs/dbraw/zinc/38/88/43/203388843.db2.gz CDJSSCSZSNLBDL-ZDUSSCGKSA-N 1 2 348.410 3.262 50 0 EGAALO Cc1nc(Cc2nc(C3CCCC3)nn2CCc2c[nH]c[nH+]2)cs1 ZINC000092065530 203665376 /nfs/dbraw/zinc/66/53/76/203665376.db2.gz MZGGZEUHWCMYRR-UHFFFAOYSA-N 1 2 342.472 3.257 50 0 EGAALO Cc1nc(Cc2nc(C3CCCC3)nn2CCc2c[nH+]c[nH]2)cs1 ZINC000092065530 203665378 /nfs/dbraw/zinc/66/53/78/203665378.db2.gz MZGGZEUHWCMYRR-UHFFFAOYSA-N 1 2 342.472 3.257 50 0 EGAALO Cc1nc(NCc2cccs2)c(I)c(C)[nH+]1 ZINC000001403866 206286547 /nfs/dbraw/zinc/28/65/47/206286547.db2.gz WKXJQAVUUFFASA-UHFFFAOYSA-N 1 2 345.209 3.372 50 0 EGAALO Cc1cc(C)nc(CNC(=O)c2cccc(-c3[nH+]ccn3C(C)C)c2)n1 ZINC000299775779 258085781 /nfs/dbraw/zinc/08/57/81/258085781.db2.gz KJQYHOYZDMHSJO-UHFFFAOYSA-N 1 2 349.438 3.468 50 0 EGAALO C[N@H+](Cc1nc2ccccc2c(N2CCCCCC2)n1)[C@H]1CCOC1 ZINC000299792980 258098225 /nfs/dbraw/zinc/09/82/25/258098225.db2.gz HGUNOTGPAKDQBC-INIZCTEOSA-N 1 2 340.471 3.231 50 0 EGAALO C[N@@H+](Cc1nc2ccccc2c(N2CCCCCC2)n1)[C@H]1CCOC1 ZINC000299792980 258098226 /nfs/dbraw/zinc/09/82/26/258098226.db2.gz HGUNOTGPAKDQBC-INIZCTEOSA-N 1 2 340.471 3.231 50 0 EGAALO C[N@H+](CC(=O)NC1(c2ccc(Cl)cc2)CCC1)Cc1ccccn1 ZINC000299801406 258104295 /nfs/dbraw/zinc/10/42/95/258104295.db2.gz YGNBASUEYHHRIQ-UHFFFAOYSA-N 1 2 343.858 3.362 50 0 EGAALO C[N@@H+](CC(=O)NC1(c2ccc(Cl)cc2)CCC1)Cc1ccccn1 ZINC000299801406 258104297 /nfs/dbraw/zinc/10/42/97/258104297.db2.gz YGNBASUEYHHRIQ-UHFFFAOYSA-N 1 2 343.858 3.362 50 0 EGAALO Cc1nnc(C[N@@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)s1 ZINC000299762813 258079054 /nfs/dbraw/zinc/07/90/54/258079054.db2.gz YPQQMKIHMIZSIA-CYBMUJFWSA-N 1 2 327.457 3.411 50 0 EGAALO Cc1nnc(C[N@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)s1 ZINC000299762813 258079055 /nfs/dbraw/zinc/07/90/55/258079055.db2.gz YPQQMKIHMIZSIA-CYBMUJFWSA-N 1 2 327.457 3.411 50 0 EGAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000052537708 132184311 /nfs/dbraw/zinc/18/43/11/132184311.db2.gz CKJNTEIBJODNRQ-UHFFFAOYSA-N 1 2 341.430 3.203 50 0 EGAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000055062902 132193273 /nfs/dbraw/zinc/19/32/73/132193273.db2.gz FKSBGZPZJBAXNT-UHFFFAOYSA-N 1 2 341.430 3.203 50 0 EGAALO O=S1(=O)N=C(Nc2ccc([NH+]3CCCCC3)cc2)c2ccccc21 ZINC000009295455 135686632 /nfs/dbraw/zinc/68/66/32/135686632.db2.gz VSIORKDTCOBOJX-UHFFFAOYSA-N 1 2 341.436 3.238 50 0 EGAALO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000012316354 453354846 /nfs/dbraw/zinc/35/48/46/453354846.db2.gz HLHJSZHMZPUOOT-AWEZNQCLSA-N 1 2 333.382 3.033 50 0 EGAALO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000012380437 453359586 /nfs/dbraw/zinc/35/95/86/453359586.db2.gz DDBUSBJVYDNKKR-AWEZNQCLSA-N 1 2 348.830 3.045 50 0 EGAALO Cc1ccccc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013324997 453457870 /nfs/dbraw/zinc/45/78/70/453457870.db2.gz MYMFNBPSKNFURZ-UHFFFAOYSA-N 1 2 325.412 3.471 50 0 EGAALO COc1ccc(CC(=O)NCCc2c[nH]c(-c3ccc(C)cc3)[nH+]2)cc1 ZINC000013608187 453474877 /nfs/dbraw/zinc/47/48/77/453474877.db2.gz TZJHPHZVCLPCHJ-UHFFFAOYSA-N 1 2 349.434 3.295 50 0 EGAALO COc1ccc(CC(=O)NCCc2c[nH+]c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000013608187 453474887 /nfs/dbraw/zinc/47/48/87/453474887.db2.gz TZJHPHZVCLPCHJ-UHFFFAOYSA-N 1 2 349.434 3.295 50 0 EGAALO Cc1ccccc1N1C(=O)C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C ZINC000014988775 453550945 /nfs/dbraw/zinc/55/09/45/453550945.db2.gz IDBRXGGWLGIFGG-MRXNPFEDSA-N 1 2 336.435 3.167 50 0 EGAALO Cc1ccccc1N1C(=O)C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C ZINC000014988775 453550951 /nfs/dbraw/zinc/55/09/51/453550951.db2.gz IDBRXGGWLGIFGG-MRXNPFEDSA-N 1 2 336.435 3.167 50 0 EGAALO COc1cccc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000016577547 453611623 /nfs/dbraw/zinc/61/16/23/453611623.db2.gz 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O[C@H](COc1ccc2cc(Br)ccc2c1)Cn1cc[nH+]c1 ZINC000001421219 452662390 /nfs/dbraw/zinc/66/23/90/452662390.db2.gz JTJFAAGBOQEMPU-HNNXBMFYSA-N 1 2 347.212 3.239 50 0 EGAALO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)Nc1ccccc1)CC2 ZINC000004090595 452793379 /nfs/dbraw/zinc/79/33/79/452793379.db2.gz GOTRUJXLSUACBV-AWEZNQCLSA-N 1 2 340.423 3.262 50 0 biogenic EGAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)Nc1ccccc1)CC2 ZINC000004090595 452793386 /nfs/dbraw/zinc/79/33/86/452793386.db2.gz GOTRUJXLSUACBV-AWEZNQCLSA-N 1 2 340.423 3.262 50 0 biogenic EGAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000006628289 452961309 /nfs/dbraw/zinc/96/13/09/452961309.db2.gz UWKRXJHAQYMAQZ-UHFFFAOYSA-N 1 2 330.815 3.345 50 0 EGAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000006628289 452961314 /nfs/dbraw/zinc/96/13/14/452961314.db2.gz UWKRXJHAQYMAQZ-UHFFFAOYSA-N 1 2 330.815 3.345 50 0 EGAALO COc1ccc(-c2[nH]cc(CCNC(=O)c3cccc(F)c3)[nH+]2)cc1 ZINC000013626935 453477137 /nfs/dbraw/zinc/47/71/37/453477137.db2.gz QHDXLDSLEYPYPJ-UHFFFAOYSA-N 1 2 339.370 3.197 50 0 EGAALO COc1ccc(-c2[nH]c(CCNC(=O)c3cccc(F)c3)c[nH+]2)cc1 ZINC000013626935 453477143 /nfs/dbraw/zinc/47/71/43/453477143.db2.gz QHDXLDSLEYPYPJ-UHFFFAOYSA-N 1 2 339.370 3.197 50 0 EGAALO Cc1nc(-c2ccccc2F)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000013736491 453485733 /nfs/dbraw/zinc/48/57/33/453485733.db2.gz HXWXVJFGZROGNH-UHFFFAOYSA-N 1 2 344.415 3.274 50 0 EGAALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000016602314 453615202 /nfs/dbraw/zinc/61/52/02/453615202.db2.gz UEHZGISZHIYMTJ-UHFFFAOYSA-N 1 2 326.415 3.401 50 0 EGAALO Brc1c[nH]c2nc[nH+]c(Nc3ccc4c(c3)OCCO4)c12 ZINC000032919168 453897002 /nfs/dbraw/zinc/89/70/02/453897002.db2.gz LPVFPFCHVQDGBF-UHFFFAOYSA-N 1 2 347.172 3.235 50 0 EGAALO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc1O ZINC000082097007 453922964 /nfs/dbraw/zinc/92/29/64/453922964.db2.gz AUGNPNKFAJHSRI-QGZVFWFLSA-N 1 2 339.439 3.327 50 0 EGAALO COc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)cc1Cl ZINC000082108374 453924429 /nfs/dbraw/zinc/92/44/29/453924429.db2.gz PLZCNASPFMDZIG-CYBMUJFWSA-N 1 2 333.819 3.098 50 0 EGAALO COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc2[nH+]c(C)cn2c1 ZINC000082115314 453924652 /nfs/dbraw/zinc/92/46/52/453924652.db2.gz GHBJVVOEFVNTDD-GOSISDBHSA-N 1 2 335.407 3.459 50 0 EGAALO O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc1 ZINC000082134939 453926443 /nfs/dbraw/zinc/92/64/43/453926443.db2.gz IZAATLZPUOHMEZ-SFHVURJKSA-N 1 2 339.439 3.371 50 0 EGAALO O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc1 ZINC000082134939 453926444 /nfs/dbraw/zinc/92/64/44/453926444.db2.gz IZAATLZPUOHMEZ-SFHVURJKSA-N 1 2 339.439 3.371 50 0 EGAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000082170824 453927015 /nfs/dbraw/zinc/92/70/15/453927015.db2.gz FCJHMXRUWCIJOL-QGZVFWFLSA-N 1 2 348.450 3.445 50 0 EGAALO CCOCCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082162266 453927170 /nfs/dbraw/zinc/92/71/70/453927170.db2.gz RJRPSDOURTVRSF-GOSISDBHSA-N 1 2 341.455 3.064 50 0 EGAALO Cc1cc(C)n([C@@H]2CCN(c3nccc(-c4ccc(C)[nH+]c4C)n3)C2)n1 ZINC000077340026 454094263 /nfs/dbraw/zinc/09/42/63/454094263.db2.gz YWWZJABPVSBGEQ-QGZVFWFLSA-N 1 2 348.454 3.420 50 0 EGAALO C[N@H+](CC(=O)N1CCCC[C@H]1c1ccc(F)cc1)Cc1ccccn1 ZINC000077419403 454104801 /nfs/dbraw/zinc/10/48/01/454104801.db2.gz OERVDUDCVZBNRK-IBGZPJMESA-N 1 2 341.430 3.406 50 0 EGAALO C[N@@H+](CC(=O)N1CCCC[C@H]1c1ccc(F)cc1)Cc1ccccn1 ZINC000077419403 454104805 /nfs/dbraw/zinc/10/48/05/454104805.db2.gz OERVDUDCVZBNRK-IBGZPJMESA-N 1 2 341.430 3.406 50 0 EGAALO Cc1nc(N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cc[nH+]1 ZINC000077455938 454107781 /nfs/dbraw/zinc/10/77/81/454107781.db2.gz RUWMFTKSOODPBP-LJQANCHMSA-N 1 2 330.476 3.040 50 0 EGAALO CCn1cc[nH+]c1Cn1ccnc1-c1nccn1-c1ccc(OC)cc1 ZINC000071750967 454212903 /nfs/dbraw/zinc/21/29/03/454212903.db2.gz GRTZVUFDFZPACO-UHFFFAOYSA-N 1 2 348.410 3.009 50 0 EGAALO Cc1ccc2[nH]cc(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000095471205 454218910 /nfs/dbraw/zinc/21/89/10/454218910.db2.gz JJIBNMVSIVELDJ-UHFFFAOYSA-N 1 2 347.462 3.477 50 0 EGAALO CCCCOC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095505230 454223797 /nfs/dbraw/zinc/22/37/97/454223797.db2.gz NIJLIWBQQFXCJH-QGZVFWFLSA-N 1 2 342.443 3.443 50 0 EGAALO CCCCn1cc[nH+]c1C1CCN(C(=O)CCc2cccnc2)CC1 ZINC000095507209 454224209 /nfs/dbraw/zinc/22/42/09/454224209.db2.gz MBHZNPHZINDSGY-UHFFFAOYSA-N 1 2 340.471 3.417 50 0 EGAALO Cc1nn(C)c2nc(N[C@@H](Cn3cc[nH+]c3)c3ccccc3)sc12 ZINC000095519883 454226448 /nfs/dbraw/zinc/22/64/48/454226448.db2.gz IVXNRSSNWYAYDQ-AWEZNQCLSA-N 1 2 338.440 3.388 50 0 EGAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC000095526545 454227531 /nfs/dbraw/zinc/22/75/31/454227531.db2.gz WZBVWWYXANCURL-AWEZNQCLSA-N 1 2 330.407 3.237 50 0 EGAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1(c3cccc(Cl)c3)CCC1)C2 ZINC000097199232 454421731 /nfs/dbraw/zinc/42/17/31/454421731.db2.gz QSOQOPHFBLABPX-MRXNPFEDSA-N 1 2 343.858 3.398 50 0 EGAALO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000091305944 454424107 /nfs/dbraw/zinc/42/41/07/454424107.db2.gz XWMKXPNHODFABG-UONOGXRCSA-N 1 2 344.352 3.287 50 0 EGAALO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000091305944 454424114 /nfs/dbraw/zinc/42/41/14/454424114.db2.gz XWMKXPNHODFABG-UONOGXRCSA-N 1 2 344.352 3.287 50 0 EGAALO O=C(C1CCCC1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091350853 454429664 /nfs/dbraw/zinc/42/96/64/454429664.db2.gz IULUYJDLUZNJKH-UHFFFAOYSA-N 1 2 338.455 3.223 50 0 EGAALO CC(C)c1nc([C@H](c2cccnc2)[NH+]2CCCC2)n(-c2ccccn2)n1 ZINC000065397031 454559417 /nfs/dbraw/zinc/55/94/17/454559417.db2.gz VTQXGFNASDWWLS-SFHVURJKSA-N 1 2 348.454 3.366 50 0 EGAALO CCc1c[nH+]c(C)nc1N1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000065436013 454566810 /nfs/dbraw/zinc/56/68/10/454566810.db2.gz WZTDHNAZRBPHQC-UHFFFAOYSA-N 1 2 327.432 3.067 50 0 EGAALO CC[C@H](C)N(Cc1ccsc1)C(=O)C[N@H+](C)Cc1ccncc1 ZINC000065496695 454578015 /nfs/dbraw/zinc/57/80/15/454578015.db2.gz FXDLUMPXPZQUPM-HNNXBMFYSA-N 1 2 331.485 3.402 50 0 EGAALO CC[C@H](C)N(Cc1ccsc1)C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000065496695 454578018 /nfs/dbraw/zinc/57/80/18/454578018.db2.gz FXDLUMPXPZQUPM-HNNXBMFYSA-N 1 2 331.485 3.402 50 0 EGAALO Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c[nH+]c2c(C)cccn12 ZINC000065504737 454579674 /nfs/dbraw/zinc/57/96/74/454579674.db2.gz OFJQHHHFMKTTAS-MRXNPFEDSA-N 1 2 338.411 3.154 50 0 EGAALO CC(C)c1nnsc1C[N@H+](C)Cc1cc(-c2ccccn2)no1 ZINC000252482307 455808789 /nfs/dbraw/zinc/80/87/89/455808789.db2.gz DCTFYLPGEFLGNP-UHFFFAOYSA-N 1 2 329.429 3.344 50 0 EGAALO CC(C)c1nnsc1C[N@@H+](C)Cc1cc(-c2ccccn2)no1 ZINC000252482307 455808792 /nfs/dbraw/zinc/80/87/92/455808792.db2.gz DCTFYLPGEFLGNP-UHFFFAOYSA-N 1 2 329.429 3.344 50 0 EGAALO O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NCCn1cc[nH+]c1 ZINC000253395548 455838986 /nfs/dbraw/zinc/83/89/86/455838986.db2.gz AMBVBYCVSAXZRT-KRWDZBQOSA-N 1 2 342.830 3.134 50 0 EGAALO Cc1ccc(-c2cccc(C(=O)NCCCn3cc[nH+]c3)c2)c(C)n1 ZINC000426628788 457866255 /nfs/dbraw/zinc/86/62/55/457866255.db2.gz PZBXKOVUKTYNPB-UHFFFAOYSA-N 1 2 334.423 3.382 50 0 EGAALO CCn1c[nH+]cc1CNC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000534577280 459334586 /nfs/dbraw/zinc/33/45/86/459334586.db2.gz NBYSIMLLLWZJEN-KRWDZBQOSA-N 1 2 330.407 3.479 50 0 EGAALO COc1ccc(/C=C/C(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575613033 459983012 /nfs/dbraw/zinc/98/30/12/459983012.db2.gz NWVCLAZOVUIJRJ-MBNRZODZSA-N 1 2 338.407 3.173 50 0 EGAALO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055060298 535948267 /nfs/dbraw/zinc/94/82/67/535948267.db2.gz FKVTWQDXJLCUBC-UHFFFAOYSA-N 1 2 341.430 3.149 50 0 EGAALO CC[C@@H](NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)c1[nH]cc(C)[nH+]1 ZINC000584887311 548099157 /nfs/dbraw/zinc/09/91/57/548099157.db2.gz OWYMOIOSJMBGST-CYBMUJFWSA-N 1 2 332.452 3.031 50 0 EGAALO C[N@H+](Cc1cnccc1Cl)CC1(N2CCOCC2)CCCCC1 ZINC000670461046 548218981 /nfs/dbraw/zinc/21/89/81/548218981.db2.gz BCADLSTZOGLOAT-UHFFFAOYSA-N 1 2 337.895 3.202 50 0 EGAALO C[N@@H+](Cc1cnccc1Cl)CC1(N2CCOCC2)CCCCC1 ZINC000670461046 548218985 /nfs/dbraw/zinc/21/89/85/548218985.db2.gz BCADLSTZOGLOAT-UHFFFAOYSA-N 1 2 337.895 3.202 50 0 EGAALO CC(C)C(=O)N1CCC[C@H]([NH2+]Cc2c(Cl)ccc(O)c2Cl)C1 ZINC000952978627 1334629203 /nfs/dbraw/zinc/62/92/03/1334629203.db2.gz RFIHWXZTJYKXDA-NSHDSACASA-N 1 2 345.270 3.436 50 0 EGAALO Cc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000097641898 219043084 /nfs/dbraw/zinc/04/30/84/219043084.db2.gz VWPBAHSMAVDDFB-MRXNPFEDSA-N 1 2 349.438 3.138 50 0 EGAALO COC(=O)c1c(/C=C/[NH+](C)C)nc(C(F)(F)F)cc1C(F)(F)F ZINC000052530191 214132564 /nfs/dbraw/zinc/13/25/64/214132564.db2.gz SHTYAWAKKHGPJM-SNAWJCMRSA-N 1 2 342.239 3.438 50 0 EGAALO CCC(CC)n1ncc(C)c1NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000055245149 214295702 /nfs/dbraw/zinc/29/57/02/214295702.db2.gz BKJHVAILDGEXTA-UHFFFAOYSA-N 1 2 329.448 3.018 50 0 EGAALO CCC(CC)n1ncc(C)c1NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000055245149 214295705 /nfs/dbraw/zinc/29/57/05/214295705.db2.gz BKJHVAILDGEXTA-UHFFFAOYSA-N 1 2 329.448 3.018 50 0 EGAALO C[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1cccnc1 ZINC000132698982 529833431 /nfs/dbraw/zinc/83/34/31/529833431.db2.gz YIBSLCSBEFBGDJ-UHFFFAOYSA-N 1 2 337.467 3.142 50 0 EGAALO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1cccnc1 ZINC000132698982 529833432 /nfs/dbraw/zinc/83/34/32/529833432.db2.gz YIBSLCSBEFBGDJ-UHFFFAOYSA-N 1 2 337.467 3.142 50 0 EGAALO CN(Cc1ccccc1)c1[nH+]cccc1CNc1[nH+]cccc1C(=O)[O-] ZINC000067773054 215209111 /nfs/dbraw/zinc/20/91/11/215209111.db2.gz QWMJNJLIKYURER-UHFFFAOYSA-N 1 2 348.406 3.423 50 0 EGAALO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067872339 215237026 /nfs/dbraw/zinc/23/70/26/215237026.db2.gz SHMAIKOYHFCKRY-OAHLLOKOSA-N 1 2 348.450 3.205 50 0 EGAALO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067872339 215237029 /nfs/dbraw/zinc/23/70/29/215237029.db2.gz SHMAIKOYHFCKRY-OAHLLOKOSA-N 1 2 348.450 3.205 50 0 EGAALO CSc1ccc2cc(C[N@H+](C)[C@@H](C)c3ccon3)c(=O)[nH]c2c1 ZINC000067881549 215240410 /nfs/dbraw/zinc/24/04/10/215240410.db2.gz PMHOWGNNWCRUPL-NSHDSACASA-N 1 2 329.425 3.431 50 0 EGAALO CSc1ccc2cc(C[N@@H+](C)[C@@H](C)c3ccon3)c(=O)[nH]c2c1 ZINC000067881549 215240411 /nfs/dbraw/zinc/24/04/11/215240411.db2.gz PMHOWGNNWCRUPL-NSHDSACASA-N 1 2 329.425 3.431 50 0 EGAALO Cc1nc([C@H](Cc2c[nH]c[nH+]2)n2cccc2)n(-c2cccc(C)c2)n1 ZINC000067909792 215247884 /nfs/dbraw/zinc/24/78/84/215247884.db2.gz XVJFRBDWVPRONC-SFHVURJKSA-N 1 2 332.411 3.241 50 0 EGAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc(-c2ccccc2)[nH]1 ZINC000067965402 215261904 /nfs/dbraw/zinc/26/19/04/215261904.db2.gz UFVKOLVXQGFNCW-UHFFFAOYSA-N 1 2 343.390 3.192 50 0 EGAALO CN1c2ccccc2[C@@]2([NH2+]CCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020503085 283266772 /nfs/dbraw/zinc/26/67/72/283266772.db2.gz KIBTXMPRJMGIHU-IBGZPJMESA-N 1 2 337.810 3.187 50 0 biogenic EGAALO CC(=O)c1c(C)cc(C)c(-c2[nH+]ccn2[C@H](C)c2nncn2C)c1C ZINC000072129070 216019229 /nfs/dbraw/zinc/01/92/29/216019229.db2.gz LTBPKFIDJCRDBY-CQSZACIVSA-N 1 2 337.427 3.416 50 0 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CCn1ccc(C[N@@H+](Cc2ccc(OC)cc2)C[C@H]2CCCO2)n1 ZINC000252507778 455816977 /nfs/dbraw/zinc/81/69/77/455816977.db2.gz WTSGJKKIISMJCS-LJQANCHMSA-N 1 2 329.444 3.093 50 0 EGAALO CCn1ccc(C[N@H+](Cc2ccc(OC)cc2)C[C@H]2CCCO2)n1 ZINC000252507778 455816980 /nfs/dbraw/zinc/81/69/80/455816980.db2.gz WTSGJKKIISMJCS-LJQANCHMSA-N 1 2 329.444 3.093 50 0 EGAALO O=C(/C=C/c1cccs1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253405642 455839989 /nfs/dbraw/zinc/83/99/89/455839989.db2.gz SUETXSMENCFQTL-NFAHFFEMSA-N 1 2 348.493 3.261 50 0 EGAALO CCc1[nH+]c2ccccc2n1CCC(=O)NCc1cnc2c(c1)CCC2 ZINC000426740476 457890339 /nfs/dbraw/zinc/89/03/39/457890339.db2.gz KWBRLJPONZJTQB-UHFFFAOYSA-N 1 2 348.450 3.189 50 0 EGAALO COc1ccc2[nH]c(CCNC(=O)c3cccc(Cl)c3F)[nH+]c2c1 ZINC000215600966 537050194 /nfs/dbraw/zinc/05/01/94/537050194.db2.gz VVDMVJUZDJFNCK-UHFFFAOYSA-N 1 2 347.777 3.337 50 0 EGAALO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cnn3c2nc(C)cc3C)no1 ZINC000097619169 219041682 /nfs/dbraw/zinc/04/16/82/219041682.db2.gz 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/nfs/dbraw/zinc/12/64/88/215126488.db2.gz JMGKFPJVOOPJMD-GFCCVEGCSA-N 1 2 331.445 3.168 50 0 EGAALO Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1[nH+]ccn1C)CCO2 ZINC000067559639 215162353 /nfs/dbraw/zinc/16/23/53/215162353.db2.gz PHEYDAAJJLSMIG-UHFFFAOYSA-N 1 2 349.434 3.496 50 0 EGAALO Cc1nc(CN(Cc2c(C)[nH+]c3ccc(Cl)cn32)C(C)C)no1 ZINC000067773742 215208974 /nfs/dbraw/zinc/20/89/74/215208974.db2.gz GFVIDTHSWNCPBN-UHFFFAOYSA-N 1 2 333.823 3.398 50 0 EGAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C ZINC000067803884 215216816 /nfs/dbraw/zinc/21/68/16/215216816.db2.gz LPLMETXJPPWURH-MRXNPFEDSA-N 1 2 338.455 3.427 50 0 EGAALO CCc1ccc2occ(CC(=O)NCc3ccc[nH+]c3N(C)C)c2c1 ZINC000067840239 215225865 /nfs/dbraw/zinc/22/58/65/215225865.db2.gz DVRNXJAMALKDBS-UHFFFAOYSA-N 1 2 337.423 3.315 50 0 EGAALO Cc1ccc(-c2[nH+]ccn2CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000067910300 215248792 /nfs/dbraw/zinc/24/87/92/215248792.db2.gz UULIXSFPKIIVNY-UHFFFAOYSA-N 1 2 344.411 3.472 50 0 EGAALO FC(F)(F)c1cccc(Cc2noc(C[NH2+]Cc3ccncc3)n2)c1 ZINC000072122581 216015553 /nfs/dbraw/zinc/01/55/53/216015553.db2.gz WHPGKJLSZYFXND-UHFFFAOYSA-N 1 2 348.328 3.364 50 0 EGAALO Cc1cccnc1C[NH+]1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000072433274 216227919 /nfs/dbraw/zinc/22/79/19/216227919.db2.gz QALXBPDKAXITMS-LJQANCHMSA-N 1 2 349.478 3.154 50 0 EGAALO CC[C@@H](C)Oc1ccccc1CNc1[nH+]cnc2c1c(C)nn2C ZINC000072435282 216229892 /nfs/dbraw/zinc/22/98/92/216229892.db2.gz SBHVZGLXVITMEY-GFCCVEGCSA-N 1 2 325.416 3.461 50 0 EGAALO CC(C)c1ncc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cn1 ZINC000216474766 241194174 /nfs/dbraw/zinc/19/41/74/241194174.db2.gz VHQCNGWBWGTTFL-UHFFFAOYSA-N 1 2 337.427 3.063 50 0 EGAALO CC[C@@H](C)Sc1ncc(C[NH+]2CCC(c3ccn[nH]3)CC2)cn1 ZINC000215536491 241131105 /nfs/dbraw/zinc/13/11/05/241131105.db2.gz QOELHPMQNWTCRK-CYBMUJFWSA-N 1 2 331.489 3.470 50 0 EGAALO COc1cccc(C[N@@H+]2CCO[C@H](Cc3cccc(F)c3)C2)c1OC ZINC000020869207 212180847 /nfs/dbraw/zinc/18/08/47/212180847.db2.gz 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/nfs/dbraw/zinc/12/98/09/212129809.db2.gz MFIXFADSKLHFET-UHFFFAOYSA-N 1 2 338.436 3.105 50 0 EGAALO CCCn1c2ccccc2n(C[C@H](O)COc2ccccc2C)c1=[NH2+] ZINC000020290256 212117033 /nfs/dbraw/zinc/11/70/33/212117033.db2.gz GWNHITYWNKJRPR-INIZCTEOSA-N 1 2 339.439 3.081 50 0 EGAALO COc1ccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019933390 212086381 /nfs/dbraw/zinc/08/63/81/212086381.db2.gz QHOBJNOOABWHPB-UHFFFAOYSA-N 1 2 341.411 3.171 50 0 EGAALO CN1c2ccccc2[N@@H+](CC(=O)c2cccc(Br)c2)C1=N ZINC000019799704 212070409 /nfs/dbraw/zinc/07/04/09/212070409.db2.gz NXCJNGIDSPVDLS-UHFFFAOYSA-N 1 2 344.212 3.105 50 0 EGAALO CN1c2ccccc2[N@H+](CC(=O)c2cccc(Br)c2)C1=N ZINC000019799704 212070410 /nfs/dbraw/zinc/07/04/10/212070410.db2.gz NXCJNGIDSPVDLS-UHFFFAOYSA-N 1 2 344.212 3.105 50 0 EGAALO CCCn1c2ccccc2n(C[C@@H](O)COc2ccc(C)cc2)c1=[NH2+] ZINC000019798349 212069562 /nfs/dbraw/zinc/06/95/62/212069562.db2.gz CCNBXUVOQRNDLW-MRXNPFEDSA-N 1 2 339.439 3.081 50 0 EGAALO 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C[NH+]1CCN(c2c(Cl)cccc2NC(=O)Cc2ccccc2)CC1 ZINC000030825730 453839025 /nfs/dbraw/zinc/83/90/25/453839025.db2.gz GEMOASVEWCBPSP-UHFFFAOYSA-N 1 2 343.858 3.273 50 0 EGAALO Cc1ccc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000082096967 453922818 /nfs/dbraw/zinc/92/28/18/453922818.db2.gz XAPIGJWYGJLHHA-GOSISDBHSA-N 1 2 325.456 3.376 50 0 EGAALO Cc1ccc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000082096966 453922881 /nfs/dbraw/zinc/92/28/81/453922881.db2.gz XAPIGJWYGJLHHA-SFHVURJKSA-N 1 2 325.456 3.376 50 0 EGAALO CSCc1ccc(N2CCC(C(=O)N3CCCCC3)CC2)[nH+]c1 ZINC000082121050 453925292 /nfs/dbraw/zinc/92/52/92/453925292.db2.gz FMHAYFHUHFDBBO-UHFFFAOYSA-N 1 2 333.501 3.174 50 0 EGAALO Cc1[nH+]ccn1-c1ncc(NC(=O)c2ccc(F)cc2Cl)cn1 ZINC000085470432 454030151 /nfs/dbraw/zinc/03/01/51/454030151.db2.gz AAXRTCSTBBBWPA-UHFFFAOYSA-N 1 2 331.738 3.016 50 0 EGAALO C[NH+]1CCN(Cc2c3ccccc3oc2C(=O)c2ccccc2)CC1 ZINC000043191032 454048021 /nfs/dbraw/zinc/04/80/21/454048021.db2.gz YRMUPGVZENGDQV-UHFFFAOYSA-N 1 2 334.419 3.411 50 0 EGAALO CN1CC[NH+](Cc2c3ccccc3oc2C(=O)c2ccccc2)CC1 ZINC000043191032 454048025 /nfs/dbraw/zinc/04/80/25/454048025.db2.gz YRMUPGVZENGDQV-UHFFFAOYSA-N 1 2 334.419 3.411 50 0 EGAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000043975564 454084779 /nfs/dbraw/zinc/08/47/79/454084779.db2.gz WPOYQOBDPIOXCS-UHFFFAOYSA-N 1 2 329.831 3.381 50 0 EGAALO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)cc2)n1 ZINC000077354861 454096084 /nfs/dbraw/zinc/09/60/84/454096084.db2.gz WQKBXGUZUFABPA-GOSISDBHSA-N 1 2 349.438 3.104 50 0 EGAALO CC(C)Cc1nnc2sc([C@@H]3CCCN(c4cccc[nH+]4)C3)nn12 ZINC000071747005 454211941 /nfs/dbraw/zinc/21/19/41/454211941.db2.gz PPOBDNKCFBJKTR-CYBMUJFWSA-N 1 2 342.472 3.163 50 0 EGAALO O=C(c1nc2ccccn2c1C[NH+]1Cc2ccccc2C1)N1CCCC1 ZINC000071747464 454212197 /nfs/dbraw/zinc/21/21/97/454212197.db2.gz DYFTUIWBBHYZJT-UHFFFAOYSA-N 1 2 346.434 3.086 50 0 EGAALO COc1ccc(OC)c(-c2nc(CN(C)Cc3[nH]cc[nH+]3)c(C)o2)c1 ZINC000071721270 454212271 /nfs/dbraw/zinc/21/22/71/454212271.db2.gz UDSFIEDIANVTJY-UHFFFAOYSA-N 1 2 342.399 3.022 50 0 EGAALO CN(C)c1ccc(-c2[nH+]ccn2C[C@H]2OCCc3ccccc32)cn1 ZINC000071763002 454214978 /nfs/dbraw/zinc/21/49/78/454214978.db2.gz COGHKSQSQBBMJW-GOSISDBHSA-N 1 2 334.423 3.325 50 0 EGAALO Cc1ccc(-c2ccnc(NCC3(Cn4cccn4)CC3)n2)c(C)[nH+]1 ZINC000071764712 454217135 /nfs/dbraw/zinc/21/71/35/454217135.db2.gz ROIJEPPMMNCJMS-UHFFFAOYSA-N 1 2 334.427 3.244 50 0 EGAALO C[C@H](O)c1cccc(N2CCN(c3nc4ccccc4s3)CC2)[nH+]1 ZINC000095499616 454222591 /nfs/dbraw/zinc/22/25/91/454222591.db2.gz SJCDTBLXGIZUER-ZDUSSCGKSA-N 1 2 340.452 3.071 50 0 EGAALO COc1ccccc1OC1CCN(c2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000095504256 454223261 /nfs/dbraw/zinc/22/32/61/454223261.db2.gz NITQSETUCFZOCX-CQSZACIVSA-N 1 2 328.412 3.191 50 0 EGAALO Cn1cc[nH+]c1CN(C(=O)c1csc(-c2cccs2)n1)C1CC1 ZINC000047237820 454343864 /nfs/dbraw/zinc/34/38/64/454343864.db2.gz CIEUGERRDXPSBU-UHFFFAOYSA-N 1 2 344.465 3.410 50 0 EGAALO O=C(Cc1cccc2ccccc21)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152357111 455106913 /nfs/dbraw/zinc/10/69/13/455106913.db2.gz XMDACMGHELMVQI-GOSISDBHSA-N 1 2 331.419 3.172 50 0 EGAALO O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NCCc1c[nH+]c[nH]1 ZINC000253396519 455839216 /nfs/dbraw/zinc/83/92/16/455839216.db2.gz BDBRPAKARZFLNT-KRWDZBQOSA-N 1 2 342.830 3.203 50 0 EGAALO O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NCCc1c[nH]c[nH+]1 ZINC000253396519 455839219 /nfs/dbraw/zinc/83/92/19/455839219.db2.gz BDBRPAKARZFLNT-KRWDZBQOSA-N 1 2 342.830 3.203 50 0 EGAALO CC(C)[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1[nH+]ccn1C ZINC000222388654 456046164 /nfs/dbraw/zinc/04/61/64/456046164.db2.gz ZXMJZNVBKCWIFZ-OAHLLOKOSA-N 1 2 339.361 3.495 50 0 EGAALO CC(C)c1nc(CNC(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)cs1 ZINC000426613655 457862272 /nfs/dbraw/zinc/86/22/72/457862272.db2.gz RDAXEXWEJGMSFS-AWEZNQCLSA-N 1 2 347.488 3.085 50 0 EGAALO O=C(NCc1c[nH+]cn1C1CC1)N1CCC(c2cccc(O)c2)CC1 ZINC000584900073 459820866 /nfs/dbraw/zinc/82/08/66/459820866.db2.gz 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O=C(CCSCc1ccccc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000219885047 456036131 /nfs/dbraw/zinc/03/61/31/456036131.db2.gz WEFHYCXEDMTTHA-GOSISDBHSA-N 1 2 343.496 3.445 50 0 EGAALO Cc1nc(N(C)CCn2ccc3ccccc32)cc(C2CC(O)C2)[nH+]1 ZINC000222512705 456047212 /nfs/dbraw/zinc/04/72/12/456047212.db2.gz NAQDDRJPQUJNRA-UHFFFAOYSA-N 1 2 336.439 3.114 50 0 EGAALO COc1ccc(C2(CNC(=O)[C@@H](C)n3cc[nH+]c3)CCCC2)cc1 ZINC000426442742 457831886 /nfs/dbraw/zinc/83/18/86/457831886.db2.gz VRPIWIIFMMVDSV-OAHLLOKOSA-N 1 2 327.428 3.081 50 0 EGAALO CC(=O)c1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)n(C)c1 ZINC000215357613 534818705 /nfs/dbraw/zinc/81/87/05/534818705.db2.gz IJEIYVBHBMTRKF-HXUWFJFHSA-N 1 2 326.440 3.409 50 0 EGAALO CC(=O)c1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)n(C)c1 ZINC000215357613 534818710 /nfs/dbraw/zinc/81/87/10/534818710.db2.gz IJEIYVBHBMTRKF-HXUWFJFHSA-N 1 2 326.440 3.409 50 0 EGAALO C[N@H+](Cc1noc(C2CC2)n1)C1CCN(c2ccccc2F)CC1 ZINC000670455673 548218032 /nfs/dbraw/zinc/21/80/32/548218032.db2.gz 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/nfs/dbraw/zinc/12/70/47/215127047.db2.gz FXNWLLVIWWZQNY-UHFFFAOYSA-N 1 2 326.429 3.176 50 0 EGAALO Cc1cc(C)n(-c2cccc(-c3[nH+]ccn3[C@@H](C)c3ncnn3C)c2)n1 ZINC000067771040 215207959 /nfs/dbraw/zinc/20/79/59/215207959.db2.gz GWKFDYQSZYLKJV-HNNXBMFYSA-N 1 2 347.426 3.090 50 0 EGAALO CC[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1cnc(NCc2ccccc2)nc1 ZINC000067851038 215232193 /nfs/dbraw/zinc/23/21/93/215232193.db2.gz ZUFYHJWNJQNLBD-GOSISDBHSA-N 1 2 348.454 3.321 50 0 EGAALO CC[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1cnc(NCc2ccccc2)nc1 ZINC000067851038 215232195 /nfs/dbraw/zinc/23/21/95/215232195.db2.gz ZUFYHJWNJQNLBD-GOSISDBHSA-N 1 2 348.454 3.321 50 0 EGAALO Cc1onc(-c2ccccc2)c1C(=O)N(Cc1[nH+]ccn1C)C1CC1 ZINC000067880958 215239140 /nfs/dbraw/zinc/23/91/40/215239140.db2.gz FSGARCCPKCHEDZ-UHFFFAOYSA-N 1 2 336.395 3.188 50 0 EGAALO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(OC)c1 ZINC000038834673 213227598 /nfs/dbraw/zinc/22/75/98/213227598.db2.gz BWQPTINFLWBFRI-UHFFFAOYSA-N 1 2 337.379 3.201 50 0 EGAALO O=C(NCc1cc(-c2ccco2)on1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038754429 213223292 /nfs/dbraw/zinc/22/32/92/213223292.db2.gz USUJCAAPFKQBMR-UHFFFAOYSA-N 1 2 348.362 3.109 50 0 EGAALO O=C(C[N@@H+]1CCCC[C@H]1c1ccccn1)NCc1ccccc1F ZINC000072135519 216025091 /nfs/dbraw/zinc/02/50/91/216025091.db2.gz UZZQMMARHXTKDQ-SFHVURJKSA-N 1 2 327.403 3.064 50 0 EGAALO O=C(C[N@H+]1CCCC[C@H]1c1ccccn1)NCc1ccccc1F ZINC000072135519 216025094 /nfs/dbraw/zinc/02/50/94/216025094.db2.gz UZZQMMARHXTKDQ-SFHVURJKSA-N 1 2 327.403 3.064 50 0 EGAALO Cc1ccc(C[N@@H+]2CCO[C@H](C(=O)Nc3cc(F)cc(F)c3)C2)cc1 ZINC000072463545 216245369 /nfs/dbraw/zinc/24/53/69/216245369.db2.gz QSTQIWXDUQNMJI-SFHVURJKSA-N 1 2 346.377 3.113 50 0 EGAALO Cc1ccc(C[N@H+]2CCO[C@H](C(=O)Nc3cc(F)cc(F)c3)C2)cc1 ZINC000072463545 216245373 /nfs/dbraw/zinc/24/53/73/216245373.db2.gz QSTQIWXDUQNMJI-SFHVURJKSA-N 1 2 346.377 3.113 50 0 EGAALO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cn1 ZINC000215119637 241108045 /nfs/dbraw/zinc/10/80/45/241108045.db2.gz LALFCZFGZRVVLN-SFHVURJKSA-N 1 2 335.455 3.371 50 0 EGAALO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cn1 ZINC000215119637 241108051 /nfs/dbraw/zinc/10/80/51/241108051.db2.gz LALFCZFGZRVVLN-SFHVURJKSA-N 1 2 335.455 3.371 50 0 EGAALO c1ccc(CNc2ncc(C[N@@H+]3CCOC4(CCCC4)C3)cn2)cc1 ZINC000215818074 241146077 /nfs/dbraw/zinc/14/60/77/241146077.db2.gz HLQMHWXOGPDFKN-UHFFFAOYSA-N 1 2 338.455 3.234 50 0 EGAALO c1ccc(CNc2ncc(C[N@H+]3CCOC4(CCCC4)C3)cn2)cc1 ZINC000215818074 241146084 /nfs/dbraw/zinc/14/60/84/241146084.db2.gz HLQMHWXOGPDFKN-UHFFFAOYSA-N 1 2 338.455 3.234 50 0 EGAALO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000215907244 241154565 /nfs/dbraw/zinc/15/45/65/241154565.db2.gz YSGQSVOQRCFKHR-SFHVURJKSA-N 1 2 345.464 3.436 50 0 EGAALO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000215907244 241154571 /nfs/dbraw/zinc/15/45/71/241154571.db2.gz YSGQSVOQRCFKHR-SFHVURJKSA-N 1 2 345.464 3.436 50 0 EGAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cnoc1-c1ccccc1 ZINC000216126882 241167133 /nfs/dbraw/zinc/16/71/33/241167133.db2.gz DNLNMLBJVSDLAL-INIZCTEOSA-N 1 2 338.411 3.383 50 0 EGAALO Cn1cc(C[N@H+](Cc2nn(C)c3cccc(Cl)c23)C2CC2)cn1 ZINC000215436996 241126032 /nfs/dbraw/zinc/12/60/32/241126032.db2.gz TVGXRKTUMXUTQG-UHFFFAOYSA-N 1 2 329.835 3.125 50 0 EGAALO Cn1cc(C[N@@H+](Cc2nn(C)c3cccc(Cl)c23)C2CC2)cn1 ZINC000215436996 241126037 /nfs/dbraw/zinc/12/60/37/241126037.db2.gz TVGXRKTUMXUTQG-UHFFFAOYSA-N 1 2 329.835 3.125 50 0 EGAALO O=C(NC[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc2cc[nH]c2c1 ZINC000219168738 241366668 /nfs/dbraw/zinc/36/66/68/241366668.db2.gz NYHCLDLMAVECDJ-OAHLLOKOSA-N 1 2 334.423 3.209 50 0 EGAALO COc1ccc(F)c(-c2nc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(C)o2)c1 ZINC000020999423 212197193 /nfs/dbraw/zinc/19/71/93/212197193.db2.gz QSVQYJJZUKYBEP-TXEJJXNPSA-N 1 2 334.391 3.407 50 0 EGAALO COc1ccc(F)c(-c2nc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(C)o2)c1 ZINC000020999423 212197196 /nfs/dbraw/zinc/19/71/96/212197196.db2.gz QSVQYJJZUKYBEP-TXEJJXNPSA-N 1 2 334.391 3.407 50 0 EGAALO Cc1csc([C@@H](C)[N@H+](C)CCN2CCN(c3ccccc3)CC2)n1 ZINC000244873297 243091872 /nfs/dbraw/zinc/09/18/72/243091872.db2.gz WNNKIIDKQIUHQH-QGZVFWFLSA-N 1 2 344.528 3.267 50 0 EGAALO Cc1csc([C@@H](C)[N@@H+](C)CCN2CCN(c3ccccc3)CC2)n1 ZINC000244873297 243091875 /nfs/dbraw/zinc/09/18/75/243091875.db2.gz WNNKIIDKQIUHQH-QGZVFWFLSA-N 1 2 344.528 3.267 50 0 EGAALO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC000244718721 243067943 /nfs/dbraw/zinc/06/79/43/243067943.db2.gz LPUJCKPVSBSHGL-ZDUSSCGKSA-N 1 2 331.441 3.195 50 0 EGAALO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC000244718721 243067948 /nfs/dbraw/zinc/06/79/48/243067948.db2.gz LPUJCKPVSBSHGL-ZDUSSCGKSA-N 1 2 331.441 3.195 50 0 EGAALO COC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2Cc2ccccc2)C[NH2+]1 ZINC000019735856 212058564 /nfs/dbraw/zinc/05/85/64/212058564.db2.gz DOGGXGUWDNLSDC-SJORKVTESA-N 1 2 345.826 3.213 50 0 EGAALO Cc1cc(C)c2[nH]c(=O)c(C3N4CC5(C)C[NH+]3CC(C)(C4)C5)cc2c1 ZINC000079189840 217200676 /nfs/dbraw/zinc/20/06/76/217200676.db2.gz RGJDENDEGUPRSJ-UHFFFAOYSA-N 1 2 337.467 3.191 50 0 biogenic EGAALO CC(C)CCc1noc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)n1 ZINC000012432189 211379108 /nfs/dbraw/zinc/37/91/08/211379108.db2.gz IALLVLOZVXVTDK-OAHLLOKOSA-N 1 2 342.443 3.148 50 0 EGAALO CC(C)CCc1noc(C[N@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)n1 ZINC000012432189 211379113 /nfs/dbraw/zinc/37/91/13/211379113.db2.gz IALLVLOZVXVTDK-OAHLLOKOSA-N 1 2 342.443 3.148 50 0 EGAALO c1nc([C@H](c2cccnc2)[NH+]2CCCC2)n(C2Cc3ccccc3C2)n1 ZINC000091848785 218077274 /nfs/dbraw/zinc/07/72/74/218077274.db2.gz FZMJJSRVEQJLIR-FQEVSTJZSA-N 1 2 345.450 3.198 50 0 EGAALO CCCC(=O)Nc1cccc(NC(=O)NC[C@H](C)n2cc[nH+]c2)c1 ZINC000095522522 218426771 /nfs/dbraw/zinc/42/67/71/218426771.db2.gz OTDLXNDKKAIRQN-ZDUSSCGKSA-N 1 2 329.404 3.004 50 0 EGAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CCCCCC1 ZINC000055062907 132193304 /nfs/dbraw/zinc/19/33/04/132193304.db2.gz BACPIPUCRMNDCD-UHFFFAOYSA-N 1 2 349.906 3.301 50 0 EGAALO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000055562757 132195930 /nfs/dbraw/zinc/19/59/30/132195930.db2.gz HUJHFKJLLTWMDJ-UHFFFAOYSA-N 1 2 343.858 3.409 50 0 EGAALO Cc1cccc(CN2CCC[C@@]3(CCN(c4cccc[nH+]4)C3)C2=O)c1 ZINC000011999688 281216162 /nfs/dbraw/zinc/21/61/62/281216162.db2.gz YJGDFKGCBXFPQB-NRFANRHFSA-N 1 2 335.451 3.409 50 0 EGAALO COc1cccc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000550146 452621063 /nfs/dbraw/zinc/62/10/63/452621063.db2.gz CNMMLKBWOCQKCD-HNNXBMFYSA-N 1 2 326.396 3.102 50 0 EGAALO CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000006202753 452924357 /nfs/dbraw/zinc/92/43/57/452924357.db2.gz BTIYWUAEYMFGAV-UHFFFAOYSA-N 1 2 329.213 3.259 50 0 EGAALO COc1cccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000013324875 453457408 /nfs/dbraw/zinc/45/74/08/453457408.db2.gz VEXHOGAXOAQUIJ-UHFFFAOYSA-N 1 2 341.411 3.171 50 0 EGAALO COc1ccc(/C=C/C(=O)N2CC[NH+]=C2c2ccccc2)cc1OC ZINC000013892782 453490556 /nfs/dbraw/zinc/49/05/56/453490556.db2.gz RVZJAEQSEPMQNI-PKNBQFBNSA-N 1 2 336.391 3.006 50 0 biogenic EGAALO CCn1nc(C)c(C[N@H+]2CC(=O)N(c3ccccc3C)[C@H](C)C2)c1C ZINC000015007253 453550425 /nfs/dbraw/zinc/55/04/25/453550425.db2.gz FKSXANQTOBMSTI-OAHLLOKOSA-N 1 2 340.471 3.066 50 0 EGAALO CCn1nc(C)c(C[N@@H+]2CC(=O)N(c3ccccc3C)[C@H](C)C2)c1C ZINC000015007253 453550431 /nfs/dbraw/zinc/55/04/31/453550431.db2.gz FKSXANQTOBMSTI-OAHLLOKOSA-N 1 2 340.471 3.066 50 0 EGAALO CC[C@H](Oc1ccccc1C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000016602896 453614521 /nfs/dbraw/zinc/61/45/21/453614521.db2.gz HKVFTEFXYNHPIE-SFHVURJKSA-N 1 2 342.439 3.090 50 0 EGAALO Cc1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000018142490 453644900 /nfs/dbraw/zinc/64/49/00/453644900.db2.gz YGKCKCPMYRDCTH-UHFFFAOYSA-N 1 2 326.469 3.217 50 0 EGAALO OC[C@@H](Cc1cccs1)Cn1cc[nH+]c1-c1ccc2c(c1)OCO2 ZINC000082097817 453923932 /nfs/dbraw/zinc/92/39/32/453923932.db2.gz VICJNIROVPIPJQ-ZDUSSCGKSA-N 1 2 342.420 3.192 50 0 EGAALO Nc1nc(N2CCN(c3ccccc3Cl)CC2)[nH+]c2ccccc12 ZINC000041146419 453958094 /nfs/dbraw/zinc/95/80/94/453958094.db2.gz FJBCSMUOHRVYGD-UHFFFAOYSA-N 1 2 339.830 3.192 50 0 EGAALO CCc1c[nH+]c(C)nc1N1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000067788084 453966192 /nfs/dbraw/zinc/96/61/92/453966192.db2.gz GELVYGUOKSMFJM-HXUWFJFHSA-N 1 2 343.446 3.308 50 0 EGAALO Cc1cccc(OC[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)c1 ZINC000077319852 454090186 /nfs/dbraw/zinc/09/01/86/454090186.db2.gz OIJHBIDNXVFFJA-GOSISDBHSA-N 1 2 341.455 3.289 50 0 EGAALO Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077341492 454094256 /nfs/dbraw/zinc/09/42/56/454094256.db2.gz AYBXJDAGDLKJRT-LBPRGKRZSA-N 1 2 343.818 3.039 50 0 EGAALO Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077377973 454099305 /nfs/dbraw/zinc/09/93/05/454099305.db2.gz GONNASMRFIJJDU-ZDUSSCGKSA-N 1 2 333.819 3.157 50 0 EGAALO CCOc1ccccc1-c1nn2c(C[NH+]3CCCCC3)nnc2s1 ZINC000057524478 454134687 /nfs/dbraw/zinc/13/46/87/454134687.db2.gz PHKIPYULJXBXII-UHFFFAOYSA-N 1 2 343.456 3.237 50 0 EGAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N1CCC2(CCO2)CC1 ZINC000095354761 454197343 /nfs/dbraw/zinc/19/73/43/454197343.db2.gz NFZOFOCSVUGSEN-MRXNPFEDSA-N 1 2 341.455 3.331 50 0 EGAALO O=C(/C=C/c1ccccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121071744 454386845 /nfs/dbraw/zinc/38/68/45/454386845.db2.gz CNZIJRRNDRGNQF-SQRWCISFSA-N 1 2 328.799 3.428 50 0 EGAALO O=C(NCC1=CCC[N@@H+](Cc2ccc(Cl)nc2)C1)c1cccs1 ZINC000065461253 454570736 /nfs/dbraw/zinc/57/07/36/454570736.db2.gz MEUCSAQRYGEREW-UHFFFAOYSA-N 1 2 347.871 3.359 50 0 EGAALO O=C(NCC1=CCC[N@H+](Cc2ccc(Cl)nc2)C1)c1cccs1 ZINC000065461253 454570739 /nfs/dbraw/zinc/57/07/39/454570739.db2.gz MEUCSAQRYGEREW-UHFFFAOYSA-N 1 2 347.871 3.359 50 0 EGAALO CCn1cc[nH+]c1CN(C)C(=O)c1cccc(-c2nc(C)cc(C)n2)c1 ZINC000299764313 456780576 /nfs/dbraw/zinc/78/05/76/456780576.db2.gz ZKRVJCGVCXTAFV-UHFFFAOYSA-N 1 2 349.438 3.249 50 0 EGAALO O=C(c1c[nH]c2ccccc12)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390829220 457443399 /nfs/dbraw/zinc/44/33/99/457443399.db2.gz XMKUXVWROHQEQT-UHFFFAOYSA-N 1 2 337.448 3.112 50 0 EGAALO O=C(c1c[nH]c2ccccc12)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390829220 457443412 /nfs/dbraw/zinc/44/34/12/457443412.db2.gz XMKUXVWROHQEQT-UHFFFAOYSA-N 1 2 337.448 3.112 50 0 EGAALO Cc1[nH]c2ccc(CC(=O)N[C@H]3COC4(C3)CCCCC4)cc2[nH+]1 ZINC000426545365 457852462 /nfs/dbraw/zinc/85/24/62/457852462.db2.gz QKZPNCLBQVVKGR-OAHLLOKOSA-N 1 2 327.428 3.022 50 0 EGAALO Cc1[nH]c2cc(CC(=O)N[C@H]3COC4(C3)CCCCC4)ccc2[nH+]1 ZINC000426545365 457852469 /nfs/dbraw/zinc/85/24/69/457852469.db2.gz QKZPNCLBQVVKGR-OAHLLOKOSA-N 1 2 327.428 3.022 50 0 EGAALO O=C(CCC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000575612735 459982366 /nfs/dbraw/zinc/98/23/66/459982366.db2.gz MDMARXVVOPOSGS-GOSISDBHSA-N 1 2 338.407 3.115 50 0 EGAALO COc1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)o1 ZINC000091637046 523626648 /nfs/dbraw/zinc/62/66/48/523626648.db2.gz CVFKCIYYNNWDDA-UHFFFAOYSA-N 1 2 343.427 3.305 50 0 EGAALO CCCCc1nc(Cl)c(C[NH+]2CCC(O)(c3cccnc3)CC2)[nH]1 ZINC000216453051 535109119 /nfs/dbraw/zinc/10/91/19/535109119.db2.gz UUSFNUZVYKLABE-UHFFFAOYSA-N 1 2 348.878 3.284 50 0 EGAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccc(C)cn1 ZINC000244773939 536555515 /nfs/dbraw/zinc/55/55/15/536555515.db2.gz PJCRJWBUNYLZQQ-UHFFFAOYSA-N 1 2 333.819 3.123 50 0 EGAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccc(C)cn1 ZINC000244773939 536555524 /nfs/dbraw/zinc/55/55/24/536555524.db2.gz PJCRJWBUNYLZQQ-UHFFFAOYSA-N 1 2 333.819 3.123 50 0 EGAALO CCn1c[nH+]cc1CNC(=O)c1cccc(-c2ncc(C(C)C)cn2)c1 ZINC000584886620 548098912 /nfs/dbraw/zinc/09/89/12/548098912.db2.gz LCJPPNAYWMGURR-UHFFFAOYSA-N 1 2 349.438 3.413 50 0 EGAALO CC[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1c[nH+]cn1C1CC1 ZINC000952969728 1334626762 /nfs/dbraw/zinc/62/67/62/1334626762.db2.gz OYUKFCPERHWTMT-CYBMUJFWSA-N 1 2 340.427 3.133 50 0 EGAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(Cl)cc1Cl ZINC000952989406 1334631260 /nfs/dbraw/zinc/63/12/60/1334631260.db2.gz UEWYWGUTJRRWKQ-CYBMUJFWSA-N 1 2 341.242 3.468 50 0 EGAALO O=C(CC1=CSC2=[NH+]CCCN12)Nc1cccc(-c2c[nH]cn2)c1 ZINC000952990738 1334632045 /nfs/dbraw/zinc/63/20/45/1334632045.db2.gz WRLBODFDIVUHAK-UHFFFAOYSA-N 1 2 339.424 3.055 50 0 EGAALO CO[C@@H]1CCC[C@]12CCCN(c1ccc(Cn3cc[nH+]c3)cn1)C2 ZINC001704316240 1416440132 /nfs/dbraw/zinc/44/01/32/1416440132.db2.gz KYLXBQHXUOKLEL-IEBWSBKVSA-N 1 2 326.444 3.112 50 0 EGAALO Cn1nc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2c1cccc2Cl ZINC001704354156 1416453711 /nfs/dbraw/zinc/45/37/11/1416453711.db2.gz USVUMODMKFUSAU-GFCCVEGCSA-N 1 2 329.835 3.329 50 0 EGAALO CCn1nc(C)c(C[N@H+](CCOC)Cc2cc(C(C)(C)C)n[nH]2)c1C ZINC000055120288 214276572 /nfs/dbraw/zinc/27/65/72/214276572.db2.gz CEXSLSNBNBJEOK-UHFFFAOYSA-N 1 2 347.507 3.189 50 0 EGAALO CCn1nc(C)c(C[N@@H+](CCOC)Cc2cc(C(C)(C)C)n[nH]2)c1C ZINC000055120288 214276576 /nfs/dbraw/zinc/27/65/76/214276576.db2.gz CEXSLSNBNBJEOK-UHFFFAOYSA-N 1 2 347.507 3.189 50 0 EGAALO Cc1ccc(Cl)cc1-n1nnnc1[C@@H](c1ccccc1)[NH+](C)C ZINC000055554713 214330013 /nfs/dbraw/zinc/33/00/13/214330013.db2.gz IBKUWWBSFXOKNF-MRXNPFEDSA-N 1 2 327.819 3.275 50 0 EGAALO CCOC(=O)CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000004341711 210176117 /nfs/dbraw/zinc/17/61/17/210176117.db2.gz FCVNAAMNFRDOGQ-UHFFFAOYSA-N 1 2 348.815 3.124 50 0 EGAALO O=C(C[NH+]1CCCCC1)Nc1scc2c1c(=O)oc1ccccc21 ZINC000004335559 210174856 /nfs/dbraw/zinc/17/48/56/210174856.db2.gz PYGCCTOKPOIZGS-UHFFFAOYSA-N 1 2 342.420 3.432 50 0 EGAALO CCc1ccc(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC000004331179 210173490 /nfs/dbraw/zinc/17/34/90/210173490.db2.gz JHZCJLFCAVITRN-UHFFFAOYSA-N 1 2 338.459 3.378 50 0 EGAALO COc1ccc(Cl)cc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000004248463 210150619 /nfs/dbraw/zinc/15/06/19/210150619.db2.gz FQKGHGLASOADHL-UHFFFAOYSA-N 1 2 343.814 3.277 50 0 EGAALO COc1ccc(Cc2ncc3c(n2)CN(c2cc[nH+]cc2F)C3)cc1 ZINC000067818488 215219943 /nfs/dbraw/zinc/21/99/43/215219943.db2.gz KJMTVCKORCERPW-UHFFFAOYSA-N 1 2 336.370 3.130 50 0 EGAALO Cc1nc([C@@H](Cc2c[nH]c[nH+]2)n2cccc2)n(-c2cccc(C)c2)n1 ZINC000067909790 215248566 /nfs/dbraw/zinc/24/85/66/215248566.db2.gz XVJFRBDWVPRONC-GOSISDBHSA-N 1 2 332.411 3.241 50 0 EGAALO CC(C)c1ncc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000072143420 216029207 /nfs/dbraw/zinc/02/92/07/216029207.db2.gz MYSQVVJCPNLASK-UHFFFAOYSA-N 1 2 328.435 3.057 50 0 EGAALO COc1ccc(N2CC[N@H+](Cc3cccc(F)c3C)[C@H](C)C2=O)cc1 ZINC000072145792 216032197 /nfs/dbraw/zinc/03/21/97/216032197.db2.gz SWFAFSFRZCLFOQ-OAHLLOKOSA-N 1 2 342.414 3.380 50 0 EGAALO COc1ccc(N2CC[N@@H+](Cc3cccc(F)c3C)[C@H](C)C2=O)cc1 ZINC000072145792 216032200 /nfs/dbraw/zinc/03/22/00/216032200.db2.gz SWFAFSFRZCLFOQ-OAHLLOKOSA-N 1 2 342.414 3.380 50 0 EGAALO COC(=O)c1noc(C)c1C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000072153801 216042108 /nfs/dbraw/zinc/04/21/08/216042108.db2.gz XSWFSNKBEAFNKW-INIZCTEOSA-N 1 2 330.384 3.115 50 0 EGAALO COC(=O)c1noc(C)c1C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000072153801 216042109 /nfs/dbraw/zinc/04/21/09/216042109.db2.gz XSWFSNKBEAFNKW-INIZCTEOSA-N 1 2 330.384 3.115 50 0 EGAALO COc1ccccc1OC1C[NH+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072167313 216057533 /nfs/dbraw/zinc/05/75/33/216057533.db2.gz KSCDSIFXZUTBMR-UHFFFAOYSA-N 1 2 349.434 3.203 50 0 EGAALO Cc1cccc(O[C@@H](C(=O)N2CCCn3c[nH+]cc3C2)C(C)C)c1 ZINC000072172641 216063301 /nfs/dbraw/zinc/06/33/01/216063301.db2.gz GOMZJAIMPAZWBJ-GOSISDBHSA-N 1 2 327.428 3.027 50 0 EGAALO FC(F)(F)c1cccc(OC2CC[NH+](Cc3c[nH]cn3)CC2)c1 ZINC000072411378 216204058 /nfs/dbraw/zinc/20/40/58/216204058.db2.gz GNKQUBBXYNDFQH-UHFFFAOYSA-N 1 2 325.334 3.472 50 0 EGAALO FC(F)(F)c1cccc(OC2CC[NH+](Cc3cnc[nH]3)CC2)c1 ZINC000072411378 216204061 /nfs/dbraw/zinc/20/40/61/216204061.db2.gz GNKQUBBXYNDFQH-UHFFFAOYSA-N 1 2 325.334 3.472 50 0 EGAALO CCc1cc(N2CCC[C@H](Cn3cc[nH+]c3)C2)n2nc(C)c(C)c2n1 ZINC000072419438 216207986 /nfs/dbraw/zinc/20/79/86/216207986.db2.gz OUXFSMZDBBRBKS-MRXNPFEDSA-N 1 2 338.459 3.022 50 0 EGAALO Cc1cc2nc(C)cc(N[C@H](c3[nH+]ccn3C)c3ccccc3)n2n1 ZINC000072421906 216210752 /nfs/dbraw/zinc/21/07/52/216210752.db2.gz DITSVLPQIFFINQ-SFHVURJKSA-N 1 2 332.411 3.281 50 0 EGAALO COc1cc(C)ccc1C[N@@H+]1CCN(Cc2ccccc2)C(=O)[C@H]1C ZINC000216481823 241195518 /nfs/dbraw/zinc/19/55/18/241195518.db2.gz YJPKRDADGAOHEM-QGZVFWFLSA-N 1 2 338.451 3.237 50 0 EGAALO COc1cc(C)ccc1C[N@H+]1CCN(Cc2ccccc2)C(=O)[C@H]1C ZINC000216481823 241195527 /nfs/dbraw/zinc/19/55/27/241195527.db2.gz YJPKRDADGAOHEM-QGZVFWFLSA-N 1 2 338.451 3.237 50 0 EGAALO Nc1[nH+]cccc1CNC(=O)CCc1ccc(-c2cccs2)o1 ZINC000219382580 241385232 /nfs/dbraw/zinc/38/52/32/241385232.db2.gz YNBKFEFHMPEFSU-UHFFFAOYSA-N 1 2 327.409 3.234 50 0 EGAALO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1[nH]nc2c1CCCCC2 ZINC000244701290 243061271 /nfs/dbraw/zinc/06/12/71/243061271.db2.gz KDMJZPCQHPBUTA-UHFFFAOYSA-N 1 2 337.427 3.361 50 0 EGAALO C[N@@H+](Cc1cc(-c2cccnc2)no1)Cc1[nH]nc2c1CCCCC2 ZINC000244701290 243061278 /nfs/dbraw/zinc/06/12/78/243061278.db2.gz KDMJZPCQHPBUTA-UHFFFAOYSA-N 1 2 337.427 3.361 50 0 EGAALO COc1cccc(C[C@H]2C[N@H+](Cc3ccc(F)cc3OC)CCO2)c1 ZINC000020600357 212151444 /nfs/dbraw/zinc/15/14/44/212151444.db2.gz LYWMRTBAJXFBHZ-IBGZPJMESA-N 1 2 345.414 3.286 50 0 EGAALO COc1cccc(C[C@H]2C[N@@H+](Cc3ccc(F)cc3OC)CCO2)c1 ZINC000020600357 212151447 /nfs/dbraw/zinc/15/14/47/212151447.db2.gz LYWMRTBAJXFBHZ-IBGZPJMESA-N 1 2 345.414 3.286 50 0 EGAALO O=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000020437501 212129018 /nfs/dbraw/zinc/12/90/18/212129018.db2.gz RPVWYTPHGCMHBW-UHFFFAOYSA-N 1 2 330.819 3.085 50 0 EGAALO COc1ccc(C[C@H]2C[N@H+](Cc3cccc(C(C)=O)c3)CCO2)cc1 ZINC000019836066 212074361 /nfs/dbraw/zinc/07/43/61/212074361.db2.gz NHVLPFKHPXNJFC-NRFANRHFSA-N 1 2 339.435 3.341 50 0 EGAALO COc1ccc(C[C@H]2C[N@@H+](Cc3cccc(C(C)=O)c3)CCO2)cc1 ZINC000019836066 212074363 /nfs/dbraw/zinc/07/43/63/212074363.db2.gz NHVLPFKHPXNJFC-NRFANRHFSA-N 1 2 339.435 3.341 50 0 EGAALO CCc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)on1 ZINC000012387333 211365122 /nfs/dbraw/zinc/36/51/22/211365122.db2.gz ONCUSHQNKMJJRQ-MRXNPFEDSA-N 1 2 347.846 3.285 50 0 EGAALO CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)on1 ZINC000012387333 211365124 /nfs/dbraw/zinc/36/51/24/211365124.db2.gz ONCUSHQNKMJJRQ-MRXNPFEDSA-N 1 2 347.846 3.285 50 0 EGAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cnccc2C)CC1 ZINC000091390895 218000214 /nfs/dbraw/zinc/00/02/14/218000214.db2.gz SNQOUEOIRZJPEB-UHFFFAOYSA-N 1 2 326.444 3.406 50 0 EGAALO COc1cccc(N2CC[N@H+](Cc3ccc4ccn(C)c4c3)CC2=O)c1 ZINC000091664167 218043589 /nfs/dbraw/zinc/04/35/89/218043589.db2.gz VKPWTOJDRUUONT-UHFFFAOYSA-N 1 2 349.434 3.036 50 0 EGAALO COc1cccc(N2CC[N@@H+](Cc3ccc4ccn(C)c4c3)CC2=O)c1 ZINC000091664167 218043591 /nfs/dbraw/zinc/04/35/91/218043591.db2.gz VKPWTOJDRUUONT-UHFFFAOYSA-N 1 2 349.434 3.036 50 0 EGAALO O=C(c1ccc(F)cc1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095362247 218295987 /nfs/dbraw/zinc/29/59/87/218295987.db2.gz BQILKAWIAFTSJA-UHFFFAOYSA-N 1 2 327.403 3.452 50 0 EGAALO Cc1cccc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)c1 ZINC000095374139 218306026 /nfs/dbraw/zinc/30/60/26/218306026.db2.gz GPFIPGIHFLIFDO-INIZCTEOSA-N 1 2 347.484 3.341 50 0 EGAALO Cc1ccc(OCc2occc2C(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000095392899 218325362 /nfs/dbraw/zinc/32/53/62/218325362.db2.gz BGPRWGSHTPKUNL-UHFFFAOYSA-N 1 2 337.379 3.089 50 0 EGAALO Cc1ccc(OCc2occc2C(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000095392899 218325364 /nfs/dbraw/zinc/32/53/64/218325364.db2.gz BGPRWGSHTPKUNL-UHFFFAOYSA-N 1 2 337.379 3.089 50 0 EGAALO CSc1cccc(C[NH+]2CCN(Cc3ccccc3CO)CC2)c1 ZINC000097295313 219009900 /nfs/dbraw/zinc/00/99/00/219009900.db2.gz XRBUZEHWGLVCMP-UHFFFAOYSA-N 1 2 342.508 3.219 50 0 EGAALO O=C(NCCSc1ccccc1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000097272350 219007846 /nfs/dbraw/zinc/00/78/46/219007846.db2.gz ZPRJFXDURKSBKI-GOSISDBHSA-N 1 2 341.480 3.127 50 0 EGAALO Cc1csc([C@H](C)N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000097547462 219034445 /nfs/dbraw/zinc/03/44/45/219034445.db2.gz DUSMZISQYWTUQV-ZDUSSCGKSA-N 1 2 326.425 3.470 50 0 EGAALO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H]3c3nnc(C)[nH]3)c2)n1 ZINC000097570866 219035194 /nfs/dbraw/zinc/03/51/94/219035194.db2.gz UXZKXYNGCXNYOY-GOSISDBHSA-N 1 2 336.443 3.253 50 0 EGAALO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H]3c3nnc(C)[nH]3)c2)n1 ZINC000097570866 219035197 /nfs/dbraw/zinc/03/51/97/219035197.db2.gz UXZKXYNGCXNYOY-GOSISDBHSA-N 1 2 336.443 3.253 50 0 EGAALO Cc1nc([C@@H](C)NC(=O)Cc2c[nH+]c3c(C)cccn23)c(C)s1 ZINC000299772039 258084308 /nfs/dbraw/zinc/08/43/08/258084308.db2.gz YDCJSYJERNOGBZ-LLVKDONJSA-N 1 2 328.441 3.136 50 0 EGAALO CCCN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000012653243 258055107 /nfs/dbraw/zinc/05/51/07/258055107.db2.gz ZMBUDBHBKOBXHV-OAQYLSRUSA-N 1 2 331.419 3.314 50 0 biogenic EGAALO Cc1cc(C)c(NC(=O)NC[C@H](CO)Cc2cccs2)c(C)[nH+]1 ZINC000299756085 258074500 /nfs/dbraw/zinc/07/45/00/258074500.db2.gz BJOGPOLBIJISOJ-CQSZACIVSA-N 1 2 333.457 3.041 50 0 EGAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000055062819 132193536 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COc1cccc(C(=O)Cn2cc(-c3ccc(C)cc3)n(C)c2=[NH2+])c1 ZINC000334157505 258005069 /nfs/dbraw/zinc/00/50/69/258005069.db2.gz CZRDIUZSEQBAQS-UHFFFAOYSA-N 1 2 335.407 3.173 50 0 EGAALO CCCN(CCOC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000299795115 258099989 /nfs/dbraw/zinc/09/99/89/258099989.db2.gz JTKUFHRVRKGALZ-UHFFFAOYSA-N 1 2 336.823 3.416 50 0 EGAALO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2csc(C(C)=O)c2)c1C ZINC000299765510 258080582 /nfs/dbraw/zinc/08/05/82/258080582.db2.gz ABXPWGDTPUZPGA-UHFFFAOYSA-N 1 2 346.452 3.172 50 0 EGAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000052537492 132184415 /nfs/dbraw/zinc/18/44/15/132184415.db2.gz NWQONDJVBAUOMR-UHFFFAOYSA-N 1 2 347.821 3.240 50 0 EGAALO Cc1ccccc1NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055562754 132195994 /nfs/dbraw/zinc/19/59/94/132195994.db2.gz BCQJAINSGRAIAK-UHFFFAOYSA-N 1 2 343.858 3.409 50 0 EGAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000019701728 286188692 /nfs/dbraw/zinc/18/86/92/286188692.db2.gz XBOWMTVNNBQTAS-OAHLLOKOSA-N 1 2 339.391 3.226 50 0 biogenic EGAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000019701728 286188693 /nfs/dbraw/zinc/18/86/93/286188693.db2.gz XBOWMTVNNBQTAS-OAHLLOKOSA-N 1 2 339.391 3.226 50 0 biogenic EGAALO Cc1c(Cl)cccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013324347 453457584 /nfs/dbraw/zinc/45/75/84/453457584.db2.gz LVUDTMDYKALMIW-UHFFFAOYSA-N 1 2 344.846 3.393 50 0 EGAALO Fc1cccc([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cnccn3)no2)c1 ZINC000014976795 453549524 /nfs/dbraw/zinc/54/95/24/453549524.db2.gz BJSMGIGFSYNRAW-INIZCTEOSA-N 1 2 339.374 3.393 50 0 EGAALO Fc1cccc([C@@H]2CCCC[N@H+]2Cc2nc(-c3cnccn3)no2)c1 ZINC000014976795 453549526 /nfs/dbraw/zinc/54/95/26/453549526.db2.gz BJSMGIGFSYNRAW-INIZCTEOSA-N 1 2 339.374 3.393 50 0 EGAALO CN(c1[nH+]cccc1CNC(=O)c1cscn1)C1CCCCC1 ZINC000015079801 453555296 /nfs/dbraw/zinc/55/52/96/453555296.db2.gz YHNDNVNEMOXBPL-UHFFFAOYSA-N 1 2 330.457 3.237 50 0 EGAALO Cc1nc2sc([C@H](c3ccco3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c(O)n2n1 ZINC000017144237 453630205 /nfs/dbraw/zinc/63/02/05/453630205.db2.gz KNNOMGOJHQKQJB-WDMOLILDSA-N 1 2 346.456 3.465 50 0 EGAALO Cc1nc2sc([C@H](c3ccco3)[N@H+]3C[C@H](C)C[C@H](C)C3)c(O)n2n1 ZINC000017144237 453630208 /nfs/dbraw/zinc/63/02/08/453630208.db2.gz KNNOMGOJHQKQJB-WDMOLILDSA-N 1 2 346.456 3.465 50 0 EGAALO Fc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccccn2)cc1 ZINC000041529452 453970672 /nfs/dbraw/zinc/97/06/72/453970672.db2.gz RLYHOXFFYNMHIF-UHFFFAOYSA-N 1 2 334.358 3.004 50 0 EGAALO Fc1ccccc1CCNc1[nH+]cnc2c1cnn2-c1ccccn1 ZINC000041529446 453970898 /nfs/dbraw/zinc/97/08/98/453970898.db2.gz DCYXPQGWYQHKHC-UHFFFAOYSA-N 1 2 334.358 3.004 50 0 EGAALO CCOC(=O)CCCCCC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000043210878 454047920 /nfs/dbraw/zinc/04/79/20/454047920.db2.gz HVOPWQLICYDJSQ-UHFFFAOYSA-N 1 2 347.455 3.215 50 0 EGAALO COc1ncc(C[N@@H+]2CCO[C@@H](Cc3cccc4ccccc43)C2)cn1 ZINC000071416323 454206434 /nfs/dbraw/zinc/20/64/34/454206434.db2.gz SUUCQZHZJLJUDE-IBGZPJMESA-N 1 2 349.434 3.082 50 0 EGAALO COc1ncc(C[N@H+]2CCO[C@@H](Cc3cccc4ccccc43)C2)cn1 ZINC000071416323 454206438 /nfs/dbraw/zinc/20/64/38/454206438.db2.gz SUUCQZHZJLJUDE-IBGZPJMESA-N 1 2 349.434 3.082 50 0 EGAALO CCCn1ncc(C[N@@H+]2CCO[C@H](Cc3cccc(OC)c3)C2)c1C ZINC000071748208 454213432 /nfs/dbraw/zinc/21/34/32/454213432.db2.gz MSFHEZWGXWWLEN-HXUWFJFHSA-N 1 2 343.471 3.054 50 0 EGAALO CCCn1ncc(C[N@H+]2CCO[C@H](Cc3cccc(OC)c3)C2)c1C ZINC000071748208 454213436 /nfs/dbraw/zinc/21/34/36/454213436.db2.gz MSFHEZWGXWWLEN-HXUWFJFHSA-N 1 2 343.471 3.054 50 0 EGAALO Cn1nc(CN2CCc3[nH+]c[nH]c3[C@@H]2C2CC2)c2c1cccc2Cl ZINC000071760909 454215697 /nfs/dbraw/zinc/21/56/97/454215697.db2.gz OWRJAEWGWVUSDP-SFHVURJKSA-N 1 2 341.846 3.459 50 0 EGAALO CN(C)c1nc(N(C)C)c(NC(=O)c2cccc3ccccc32)c[nH+]1 ZINC000096121398 454288854 /nfs/dbraw/zinc/28/88/54/454288854.db2.gz MTWPVQRCIGOEGC-UHFFFAOYSA-N 1 2 335.411 3.014 50 0 EGAALO O=C(NC1CC1)c1ccc(-c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000096130883 454290542 /nfs/dbraw/zinc/29/05/42/454290542.db2.gz DKABLPXSTFGKQN-UHFFFAOYSA-N 1 2 342.464 3.140 50 0 EGAALO O=C(CCc1ccncc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000060790209 454314347 /nfs/dbraw/zinc/31/43/47/454314347.db2.gz VEQYNIPGQNUBHZ-UHFFFAOYSA-N 1 2 343.858 3.012 50 0 EGAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1(c3ccc(F)cc3)CCCC1)C2 ZINC000097198528 454422250 /nfs/dbraw/zinc/42/22/50/454422250.db2.gz FEQVCMHNJMSIFH-QGZVFWFLSA-N 1 2 341.430 3.274 50 0 EGAALO O=C1C[C@@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000100119142 454464073 /nfs/dbraw/zinc/46/40/73/454464073.db2.gz CRDRZWAQHBMCIZ-QGZVFWFLSA-N 1 2 340.810 3.030 50 0 EGAALO O=C1C[C@@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000100119142 454464078 /nfs/dbraw/zinc/46/40/78/454464078.db2.gz CRDRZWAQHBMCIZ-QGZVFWFLSA-N 1 2 340.810 3.030 50 0 EGAALO CCCc1c[nH+]c(C)nc1N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000065420104 454564040 /nfs/dbraw/zinc/56/40/40/454564040.db2.gz RSUPOVQLHVKKDP-MRXNPFEDSA-N 1 2 336.443 3.164 50 0 EGAALO Cc1cnn([C@H](C)C2CC2)c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000065462159 454571634 /nfs/dbraw/zinc/57/16/34/454571634.db2.gz FIXRKNBIUUCXMI-OAHLLOKOSA-N 1 2 338.455 3.159 50 0 EGAALO Cc1cnn([C@H](C)C2CC2)c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000065462159 454571641 /nfs/dbraw/zinc/57/16/41/454571641.db2.gz FIXRKNBIUUCXMI-OAHLLOKOSA-N 1 2 338.455 3.159 50 0 EGAALO CCCn1cc[nH+]c1[C@@H]1CC(=O)Nc2c1cnn2Cc1cccs1 ZINC000065490485 454576890 /nfs/dbraw/zinc/57/68/90/454576890.db2.gz FSXGRKYFZQLXHE-CYBMUJFWSA-N 1 2 341.440 3.074 50 0 EGAALO Cc1nc(N(C)Cc2ccc3ccccc3n2)cc(C2CC(O)C2)[nH+]1 ZINC000222582000 456048120 /nfs/dbraw/zinc/04/81/20/456048120.db2.gz YGTWHBOGDWVQMA-UHFFFAOYSA-N 1 2 334.423 3.208 50 0 EGAALO Cc1nc(NCc2cc(-c3ccccc3)n[nH]2)cc(C2CC(O)C2)[nH+]1 ZINC000222882294 456051706 /nfs/dbraw/zinc/05/17/06/456051706.db2.gz IFCQWYAGWWVPFP-UHFFFAOYSA-N 1 2 335.411 3.026 50 0 EGAALO CCCn1cc[nH+]c1CNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223424929 456057775 /nfs/dbraw/zinc/05/77/75/456057775.db2.gz GZIBOUXQINKALO-UHFFFAOYSA-N 1 2 326.227 3.459 50 0 EGAALO Cc1cccn2c(CC(=O)NCc3nc(C(C)(C)C)cs3)c[nH+]c12 ZINC000299774735 456780259 /nfs/dbraw/zinc/78/02/59/456780259.db2.gz IALIJTNMNLSSPM-UHFFFAOYSA-N 1 2 342.468 3.256 50 0 EGAALO CC(C)[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000299783874 456780321 /nfs/dbraw/zinc/78/03/21/456780321.db2.gz GZEFMEQOKHRQQR-HNNXBMFYSA-N 1 2 339.361 3.495 50 0 EGAALO O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)NCCn1cc[nH+]c1 ZINC000426477838 457838824 /nfs/dbraw/zinc/83/88/24/457838824.db2.gz DATJEHLQOQMLJA-UHFFFAOYSA-N 1 2 342.830 3.281 50 0 EGAALO Cc1cccn2c(CNC(=O)N(C)[C@H](c3ccccn3)C3CC3)c[nH+]c12 ZINC000534593166 459336660 /nfs/dbraw/zinc/33/66/60/459336660.db2.gz UHFBOBMXBXJIEH-SFHVURJKSA-N 1 2 349.438 3.330 50 0 EGAALO CC(C)(C)c1ccc2oc(CNC(=O)CCn3cc[nH+]c3)nc2c1 ZINC000534642863 459342013 /nfs/dbraw/zinc/34/20/13/459342013.db2.gz JTOINYZXBIXBIQ-UHFFFAOYSA-N 1 2 326.400 3.028 50 0 EGAALO CC(C)c1nc(CN(C)C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cs1 ZINC000534656835 459343344 /nfs/dbraw/zinc/34/33/44/459343344.db2.gz JPQWGDXRGYKICM-AWEZNQCLSA-N 1 2 347.488 3.293 50 0 EGAALO CC[C@H](NC(=O)N(CCOC)Cc1ccccc1F)c1[nH]cc(C)[nH+]1 ZINC000584904208 459821349 /nfs/dbraw/zinc/82/13/49/459821349.db2.gz XCBHUSQPHVZHFX-INIZCTEOSA-N 1 2 348.422 3.167 50 0 EGAALO COc1ccc(/C=C/C(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575613017 459982498 /nfs/dbraw/zinc/98/24/98/459982498.db2.gz NWVCLAZOVUIJRJ-AIADIJKESA-N 1 2 338.407 3.173 50 0 EGAALO CC(=O)c1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cccnc2)cs1 ZINC000215406606 534818583 /nfs/dbraw/zinc/81/85/83/534818583.db2.gz ZXOWEDUPSLBWJR-GOSISDBHSA-N 1 2 338.436 3.217 50 0 EGAALO CCN(Cc1cccc(OC)c1)C(=O)NCc1c[nH+]c(C)c(C)c1 ZINC000584885881 548098799 /nfs/dbraw/zinc/09/87/99/548098799.db2.gz WFKIHMBSHMUKFE-UHFFFAOYSA-N 1 2 327.428 3.439 50 0 EGAALO Cc1noc(C)c1CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000952985223 1334630542 /nfs/dbraw/zinc/63/05/42/1334630542.db2.gz ACMCOFGEJBSEST-SFHVURJKSA-N 1 2 345.418 3.274 50 0 EGAALO Cc1[nH]c(CN(CCO)C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c[nH+]1 ZINC001704314170 1416439704 /nfs/dbraw/zinc/43/97/04/1416439704.db2.gz QYEDWUNXNMZHKQ-QGZVFWFLSA-N 1 2 349.862 3.132 50 0 EGAALO Cc1[nH]cc(CN(CCO)C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH+]1 ZINC001704314170 1416439706 /nfs/dbraw/zinc/43/97/06/1416439706.db2.gz QYEDWUNXNMZHKQ-QGZVFWFLSA-N 1 2 349.862 3.132 50 0 EGAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)CSCc1ccccc1Cl ZINC000055182789 214284165 /nfs/dbraw/zinc/28/41/65/214284165.db2.gz OETQFQJCPHOBGA-AWEZNQCLSA-N 1 2 337.876 3.365 50 0 EGAALO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCc1snnc1C ZINC000055254692 214296075 /nfs/dbraw/zinc/29/60/75/214296075.db2.gz JNCOGZNFOASEEO-LBPRGKRZSA-N 1 2 343.456 3.026 50 0 EGAALO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccon2)cc1COC(C)=O ZINC000055243033 214293386 /nfs/dbraw/zinc/29/33/86/214293386.db2.gz OFDBCSHQPMDJNY-ZDUSSCGKSA-N 1 2 332.400 3.329 50 0 EGAALO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccon2)cc1COC(C)=O ZINC000055243033 214293389 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337.467 3.034 50 0 EGAALO CCc1cc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)n2nccc2n1 ZINC000072406774 216196857 /nfs/dbraw/zinc/19/68/57/216196857.db2.gz URGYQHOCKYXRHB-GOSISDBHSA-N 1 2 332.411 3.227 50 0 EGAALO C[C@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000072437260 216231846 /nfs/dbraw/zinc/23/18/46/216231846.db2.gz UYEMKMPLZZDWAH-QGZVFWFLSA-N 1 2 338.451 3.052 50 0 EGAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2NC[C@H]1CCCO1 ZINC000023153699 212357128 /nfs/dbraw/zinc/35/71/28/212357128.db2.gz HGRCOUSKEOEZIW-CYBMUJFWSA-N 1 2 343.818 3.368 50 0 EGAALO Cc1nc(C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)no1 ZINC000215713008 241139440 /nfs/dbraw/zinc/13/94/40/241139440.db2.gz UGKLFGQBOLRGHE-UHFFFAOYSA-N 1 2 327.215 3.459 50 0 EGAALO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000215907289 241154924 /nfs/dbraw/zinc/15/49/24/241154924.db2.gz YSGQSVOQRCFKHR-GOSISDBHSA-N 1 2 345.464 3.436 50 0 EGAALO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000215907289 241154928 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O=C(c1cc(-c2ccccc2)on1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020481235 212136483 /nfs/dbraw/zinc/13/64/83/212136483.db2.gz VSXVWCZKYZXQED-UHFFFAOYSA-N 1 2 347.418 3.300 50 0 EGAALO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000020189978 212109685 /nfs/dbraw/zinc/10/96/85/212109685.db2.gz CHSMCROJAFFMGY-UHFFFAOYSA-N 1 2 338.451 3.352 50 0 EGAALO O=C(c1ccccc1)c1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000020118693 212103462 /nfs/dbraw/zinc/10/34/62/212103462.db2.gz BZWZHKHHWCCZKN-UHFFFAOYSA-N 1 2 325.408 3.019 50 0 EGAALO O=C(CC1c2ccccc2CCc2ccccc21)NCc1[nH]cc[nH+]1 ZINC000019794948 212069224 /nfs/dbraw/zinc/06/92/24/212069224.db2.gz QEACXLGUMYIWJH-UHFFFAOYSA-N 1 2 331.419 3.347 50 0 EGAALO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000019793632 212068700 /nfs/dbraw/zinc/06/87/00/212068700.db2.gz IXWPOKDRKFZZOB-UHFFFAOYSA-N 1 2 343.471 3.031 50 0 EGAALO Brc1ccccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000019781654 212065114 /nfs/dbraw/zinc/06/51/14/212065114.db2.gz GASCHXVJSXORLE-UHFFFAOYSA-N 1 2 335.245 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CCCCc1[nH]c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c[nH+]1 ZINC000092062284 218112227 /nfs/dbraw/zinc/11/22/27/218112227.db2.gz CYINQYCEMWMOOQ-DLBZAZTESA-N 1 2 327.428 3.053 50 0 EGAALO Clc1ccccc1Cn1ncc2c1nc[nH+]c2NC[C@H]1CCCO1 ZINC000010490904 211177891 /nfs/dbraw/zinc/17/78/91/211177891.db2.gz KLKNJSNAYCCDCU-CYBMUJFWSA-N 1 2 343.818 3.119 50 0 EGAALO O=C(Cc1cccnc1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095378798 218311185 /nfs/dbraw/zinc/31/11/85/218311185.db2.gz LQIUJNPZSOSKCF-GOSISDBHSA-N 1 2 338.455 3.027 50 0 EGAALO Cc1ccc2[nH]c(CCC(=O)NCCC[C@@H]3CCOC3)[nH+]c2c1C ZINC000299775583 258086167 /nfs/dbraw/zinc/08/61/67/258086167.db2.gz FAUBXGIUXNCOPS-OAHLLOKOSA-N 1 2 329.444 3.045 50 0 EGAALO Cc1ccc2[nH]c(CCNC(=O)c3cc(C(C)C)no3)[nH+]c2c1C ZINC000299776747 258087173 /nfs/dbraw/zinc/08/71/73/258087173.db2.gz GWJLZVCIFLPDOP-UHFFFAOYSA-N 1 2 326.400 3.264 50 0 EGAALO COc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000426455 452589667 /nfs/dbraw/zinc/58/96/67/452589667.db2.gz 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CCc1[nH+]c(C)ccc1OCC(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000077535874 454118949 /nfs/dbraw/zinc/11/89/49/454118949.db2.gz TUMPNWFFWOUIAV-GOSISDBHSA-N 1 2 339.439 3.480 50 0 EGAALO CC(=O)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046469722 454254164 /nfs/dbraw/zinc/25/41/64/454254164.db2.gz DORBKNGEWDGKMM-MRXNPFEDSA-N 1 2 328.416 3.322 50 0 EGAALO CCN(Cc1c[nH+]c2ccccn12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000096025071 454264539 /nfs/dbraw/zinc/26/45/39/454264539.db2.gz AVLYBACFQTWRHG-UHFFFAOYSA-N 1 2 338.367 3.117 50 0 EGAALO CCc1[nH+]c(C)ccc1OCc1nc([C@H]2CCOC2)nn1C(C)(C)C ZINC000096136750 454292272 /nfs/dbraw/zinc/29/22/72/454292272.db2.gz DYUISGVJYZNKEK-AWEZNQCLSA-N 1 2 344.459 3.382 50 0 EGAALO O=C(c1cc2ccccc2o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049027092 454528486 /nfs/dbraw/zinc/52/84/86/454528486.db2.gz HEWRPEPZFXGYAJ-UHFFFAOYSA-N 1 2 326.421 3.452 50 0 EGAALO CCc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(OC)c2)on1 ZINC000065421927 454564391 /nfs/dbraw/zinc/56/43/91/454564391.db2.gz ZECLHMSCBZEEPZ-SNVBAGLBSA-N 1 2 337.807 3.188 50 0 EGAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCc1ccc(-c3ccccc3)[nH]1)C2 ZINC000065474246 454572735 /nfs/dbraw/zinc/57/27/35/454572735.db2.gz LBWJQHLWWJPYMX-GOSISDBHSA-N 1 2 348.450 3.250 50 0 EGAALO CC[C@@H](C)N(Cc1ccsc1)C(=O)C[N@H+](C)Cc1ccncc1 ZINC000065496687 454578749 /nfs/dbraw/zinc/57/87/49/454578749.db2.gz FXDLUMPXPZQUPM-OAHLLOKOSA-N 1 2 331.485 3.402 50 0 EGAALO CC[C@@H](C)N(Cc1ccsc1)C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000065496687 454578751 /nfs/dbraw/zinc/57/87/51/454578751.db2.gz FXDLUMPXPZQUPM-OAHLLOKOSA-N 1 2 331.485 3.402 50 0 EGAALO CC[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000252487742 455811081 /nfs/dbraw/zinc/81/10/81/455811081.db2.gz IBCAYGLBXCKIJL-OAHLLOKOSA-N 1 2 349.504 3.386 50 0 EGAALO CC[C@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000252487742 455811085 /nfs/dbraw/zinc/81/10/85/455811085.db2.gz IBCAYGLBXCKIJL-OAHLLOKOSA-N 1 2 349.504 3.386 50 0 EGAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(O)c(F)c1 ZINC000221222488 456042786 /nfs/dbraw/zinc/04/27/86/456042786.db2.gz JIKCGEOJNRZNNC-UHFFFAOYSA-N 1 2 339.370 3.048 50 0 EGAALO O=C(CCc1cccc(Cl)c1)NC[C@@H]1CCCN1c1cccc[nH+]1 ZINC000225629893 456100637 /nfs/dbraw/zinc/10/06/37/456100637.db2.gz CLVVZGWTJNRVOB-KRWDZBQOSA-N 1 2 343.858 3.453 50 0 EGAALO CCNC(=O)c1csc2c1CC[N@H+](Cc1ccc(CC)cn1)C2 ZINC000426372073 457814001 /nfs/dbraw/zinc/81/40/01/457814001.db2.gz NSMFTVOZDOISER-UHFFFAOYSA-N 1 2 329.469 3.014 50 0 EGAALO CCNC(=O)c1csc2c1CC[N@@H+](Cc1ccc(CC)cn1)C2 ZINC000426372073 457814009 /nfs/dbraw/zinc/81/40/09/457814009.db2.gz NSMFTVOZDOISER-UHFFFAOYSA-N 1 2 329.469 3.014 50 0 EGAALO Cc1[nH]c2ccc(F)cc2c1CC(=O)NCc1c[nH+]cn1C1CC1 ZINC000426477760 457837765 /nfs/dbraw/zinc/83/77/65/457837765.db2.gz PLEWZWCNJDEMGE-UHFFFAOYSA-N 1 2 326.375 3.006 50 0 EGAALO Cc1cnc(CNC(=O)c2ccc(-c3[nH+]ccn3C(C)C)cc2)cn1 ZINC000534578917 459333673 /nfs/dbraw/zinc/33/36/73/459333673.db2.gz NCRJTOULTFDXMN-UHFFFAOYSA-N 1 2 335.411 3.159 50 0 EGAALO CCOC(=O)N1CC[NH+](Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000218973173 535777823 /nfs/dbraw/zinc/77/78/23/535777823.db2.gz JEIOZGRFTWOPGD-HNNXBMFYSA-N 1 2 338.473 3.264 50 0 EGAALO CCc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057280535 535863961 /nfs/dbraw/zinc/86/39/61/535863961.db2.gz IRGLSDALKWIIEQ-UHFFFAOYSA-N 1 2 337.467 3.318 50 0 EGAALO Fc1ccc(Cn2ncnc2[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000670450253 548216767 /nfs/dbraw/zinc/21/67/67/548216767.db2.gz SIUJMIFHEOUKES-MRXNPFEDSA-N 1 2 337.402 3.245 50 0 EGAALO COc1cc2c3c(c1OC)-c1cc4c(cc1CC3[N@H+](C)CC2)OCO4 ZINC000000338136 560177907 /nfs/dbraw/zinc/17/79/07/560177907.db2.gz WSVWKHTVFGTTKJ-AWEZNQCLSA-N 1 2 339.391 3.185 50 0 biogenic,in-vitro EGAALO COc1cc2c3c(c1OC)-c1cc4c(cc1CC3[N@@H+](C)CC2)OCO4 ZINC000000338136 560177908 /nfs/dbraw/zinc/17/79/08/560177908.db2.gz WSVWKHTVFGTTKJ-AWEZNQCLSA-N 1 2 339.391 3.185 50 0 biogenic,in-vitro EGAALO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2c[nH+]c3c(C)cccn23)c1 ZINC000055328057 214307760 /nfs/dbraw/zinc/30/77/60/214307760.db2.gz BLOOBAGLOZTIBM-INIZCTEOSA-N 1 2 337.423 3.343 50 0 EGAALO CC(C)Oc1cc(F)cc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)c1 ZINC000097759294 219056016 /nfs/dbraw/zinc/05/60/16/219056016.db2.gz ZQWVUBNQHLSRKE-UHFFFAOYSA-N 1 2 343.446 3.422 50 0 EGAALO Cc1cc(Br)ccc1OCCOCCn1cc[nH+]c1 ZINC000003461658 210046372 /nfs/dbraw/zinc/04/63/72/210046372.db2.gz CTSCXPIDNJFGGB-UHFFFAOYSA-N 1 2 325.206 3.050 50 0 EGAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](Cc1cnn(C)c1)CCO2 ZINC000067820052 215221500 /nfs/dbraw/zinc/22/15/00/215221500.db2.gz TWIYGJSPJCOERN-UHFFFAOYSA-N 1 2 349.434 3.496 50 0 EGAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](Cc1cnn(C)c1)CCO2 ZINC000067820052 215221503 /nfs/dbraw/zinc/22/15/03/215221503.db2.gz TWIYGJSPJCOERN-UHFFFAOYSA-N 1 2 349.434 3.496 50 0 EGAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1ccc(N)cc1)C2=O ZINC000019330395 282629896 /nfs/dbraw/zinc/62/98/96/282629896.db2.gz PYSUZRHBMHNIIV-UHFFFAOYSA-N 1 2 327.472 3.054 50 0 EGAALO O=C(NCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000036699887 213111023 /nfs/dbraw/zinc/11/10/23/213111023.db2.gz JLCBKGLSAKHXNR-SFHVURJKSA-N 1 2 344.842 3.143 50 0 EGAALO O=C(NCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000036699887 213111027 /nfs/dbraw/zinc/11/10/27/213111027.db2.gz JLCBKGLSAKHXNR-SFHVURJKSA-N 1 2 344.842 3.143 50 0 EGAALO COc1cccc(-n2nnnc2[C@@H]2c3ccccc3CC(C)(C)[N@H+]2C)c1 ZINC000035178516 213012986 /nfs/dbraw/zinc/01/29/86/213012986.db2.gz DGMNLFWFMKIUBD-SFHVURJKSA-N 1 2 349.438 3.027 50 0 EGAALO COc1cccc(-n2nnnc2[C@@H]2c3ccccc3CC(C)(C)[N@@H+]2C)c1 ZINC000035178516 213012989 /nfs/dbraw/zinc/01/29/89/213012989.db2.gz DGMNLFWFMKIUBD-SFHVURJKSA-N 1 2 349.438 3.027 50 0 EGAALO Cn1ncc(C[N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)c1C1CC1 ZINC000072150458 216038196 /nfs/dbraw/zinc/03/81/96/216038196.db2.gz FPJPUMDRZAJWLJ-UHFFFAOYSA-N 1 2 339.418 3.254 50 0 EGAALO Cn1ncc(C[N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)c1C1CC1 ZINC000072150458 216038198 /nfs/dbraw/zinc/03/81/98/216038198.db2.gz 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