smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@@H+]21 ZINC000253396320 291233139 /nfs/dbraw/zinc/23/31/39/291233139.db2.gz DRSCSMOKQVGRAX-QFIPXVFZSA-N 1 2 405.542 3.067 40 0 biogenic,in-vitro HGABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@H+]21 ZINC000253396320 291233142 /nfs/dbraw/zinc/23/31/42/291233142.db2.gz DRSCSMOKQVGRAX-QFIPXVFZSA-N 1 2 405.542 3.067 40 0 biogenic,in-vitro HGABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3cccs3)n2)cc1 ZINC000015675970 291239740 /nfs/dbraw/zinc/23/97/40/291239740.db2.gz RAMWFUZMOZBXBS-INIZCTEOSA-N 1 2 407.455 3.470 40 0 biogenic,in-vitro HGABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3cccs3)n2)cc1 ZINC000015675970 291239742 /nfs/dbraw/zinc/23/97/42/291239742.db2.gz RAMWFUZMOZBXBS-INIZCTEOSA-N 1 2 407.455 3.470 40 0 biogenic,in-vitro HGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000012116428 132354374 /nfs/dbraw/zinc/35/43/74/132354374.db2.gz BKOZEIAPVFIOIV-GOSISDBHSA-N 1 2 419.529 3.265 40 0 HGABLO COc1ccccc1[C@@]1(O)CCC[N@H+](CC(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012327853 132358881 /nfs/dbraw/zinc/35/88/81/132358881.db2.gz RKRCFSOQIYRFBS-RUZDIDTESA-N 1 2 422.525 3.161 40 0 HGABLO COc1ccccc1[C@@]1(O)CCC[N@@H+](CC(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012327853 132358882 /nfs/dbraw/zinc/35/88/82/132358882.db2.gz RKRCFSOQIYRFBS-RUZDIDTESA-N 1 2 422.525 3.161 40 0 HGABLO Fc1ccc2c(c1)ncn2C1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1 ZINC000035312064 557687815 /nfs/dbraw/zinc/68/78/15/557687815.db2.gz YZFUZMCVMKBZSL-UHFFFAOYSA-N 1 2 405.481 3.242 40 0 HGABLO Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000007991595 557769436 /nfs/dbraw/zinc/76/94/36/557769436.db2.gz DNFVZNPHOQSYCX-YSTOQKLRSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000007991595 557769443 /nfs/dbraw/zinc/76/94/43/557769443.db2.gz DNFVZNPHOQSYCX-YSTOQKLRSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 ZINC000019740660 558261586 /nfs/dbraw/zinc/26/15/86/558261586.db2.gz PYGLHJRYTUFFGW-HXUWFJFHSA-N 1 2 410.566 3.489 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 ZINC000019740660 558261588 /nfs/dbraw/zinc/26/15/88/558261588.db2.gz PYGLHJRYTUFFGW-HXUWFJFHSA-N 1 2 410.566 3.489 40 0 HGABLO Cc1nc(N2CCCC2)cc(CC2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000019758823 558275494 /nfs/dbraw/zinc/27/54/94/558275494.db2.gz IWEKMIGEODWXBC-UHFFFAOYSA-N 1 2 414.575 3.170 40 0 HGABLO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc2c(-c3ccccc3)cnn21 ZINC000019816999 558287407 /nfs/dbraw/zinc/28/74/07/558287407.db2.gz HAWUYOLGCRAQAN-UHFFFAOYSA-N 1 2 412.497 3.058 40 0 HGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2nc3ccccc3[nH]2)C1 ZINC000012145842 558337108 /nfs/dbraw/zinc/33/71/08/558337108.db2.gz RHTVGCOMCXTNLU-INIZCTEOSA-N 1 2 402.502 3.465 40 0 HGABLO O=C(NCc1ccco1)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020491464 558377934 /nfs/dbraw/zinc/37/79/34/558377934.db2.gz KXUOSSMDQKMOKV-UHFFFAOYSA-N 1 2 419.481 3.294 40 0 HGABLO CNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000020503117 558381063 /nfs/dbraw/zinc/38/10/63/558381063.db2.gz FLSISTUAZWSRGE-SFHVURJKSA-N 1 2 417.513 3.346 40 0 HGABLO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000036553510 558799964 /nfs/dbraw/zinc/79/99/64/558799964.db2.gz UWGUKKXCPRZCBJ-UHFFFAOYSA-N 1 2 420.478 3.196 40 0 HGABLO COc1cc(CN(CCC[NH+]2CCOCC2)Cc2ccc(C)o2)cc2c1OCO2 ZINC000019216429 558850386 /nfs/dbraw/zinc/85/03/86/558850386.db2.gz FZVPYOQGSFNYRY-UHFFFAOYSA-N 1 2 402.491 3.050 40 0 HGABLO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240382 558858899 /nfs/dbraw/zinc/85/88/99/558858899.db2.gz MHMWHZHZKINPRQ-YVEFUNNKSA-N 1 2 400.552 3.263 40 0 HGABLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)c1ccccc1 ZINC000019368928 558877720 /nfs/dbraw/zinc/87/77/20/558877720.db2.gz PTXNSDQQURCLFR-NJDAHSKKSA-N 1 2 420.538 3.102 40 0 HGABLO O=C1c2cccc3cccc(c32)C(=O)N1c1ccc([C@H](O)C[NH+]2CCOCC2)cc1 ZINC000019418460 558885370 /nfs/dbraw/zinc/88/53/70/558885370.db2.gz ZMVWVFJWADLCHC-OAQYLSRUSA-N 1 2 402.450 3.006 40 0 HGABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1O ZINC000019453605 558890949 /nfs/dbraw/zinc/89/09/49/558890949.db2.gz GJHSXKDVJUZGAD-UHFFFAOYSA-N 1 2 412.534 3.481 40 0 HGABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1O ZINC000019453605 558890950 /nfs/dbraw/zinc/89/09/50/558890950.db2.gz GJHSXKDVJUZGAD-UHFFFAOYSA-N 1 2 412.534 3.481 40 0 HGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000019497584 558896430 /nfs/dbraw/zinc/89/64/30/558896430.db2.gz OMOBPWDJBRCLRH-OKILXGFUSA-N 1 2 422.451 3.373 40 0 HGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000019497584 558896432 /nfs/dbraw/zinc/89/64/32/558896432.db2.gz OMOBPWDJBRCLRH-OKILXGFUSA-N 1 2 422.451 3.373 40 0 HGABLO CC[C@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019499771 558897828 /nfs/dbraw/zinc/89/78/28/558897828.db2.gz YHSFSNKPAFHTEL-FUHWJXTLSA-N 1 2 424.545 3.111 40 0 HGABLO CC[C@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019499771 558897829 /nfs/dbraw/zinc/89/78/29/558897829.db2.gz YHSFSNKPAFHTEL-FUHWJXTLSA-N 1 2 424.545 3.111 40 0 HGABLO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000019522062 558903365 /nfs/dbraw/zinc/90/33/65/558903365.db2.gz NABYBCSHTVWYHH-UHFFFAOYSA-N 1 2 407.396 3.407 40 0 HGABLO CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@@H]1c1nnc(SC)n1C ZINC000019523269 558904447 /nfs/dbraw/zinc/90/44/47/558904447.db2.gz DHQUPDFPYWISPW-RHSMWYFYSA-N 1 2 412.563 3.449 40 0 HGABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000019578094 558933735 /nfs/dbraw/zinc/93/37/35/558933735.db2.gz GIMHANWQCLFAFV-QHCPKHFHSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000019578094 558933737 /nfs/dbraw/zinc/93/37/37/558933737.db2.gz GIMHANWQCLFAFV-QHCPKHFHSA-N 1 2 417.557 3.488 40 0 HGABLO CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000072335856 558936887 /nfs/dbraw/zinc/93/68/87/558936887.db2.gz CZKBSYULEIOKLD-UHFFFAOYSA-N 1 2 424.526 3.027 40 0 HGABLO CCn1c(C)[nH+]c2cc(NS(=O)(=O)c3ccc4c(c3)[C@@H](NC(C)=O)CC4)ccc21 ZINC000072345816 558942260 /nfs/dbraw/zinc/94/22/60/558942260.db2.gz UDGMVPMEGFGSSJ-IBGZPJMESA-N 1 2 412.515 3.289 40 0 HGABLO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348895 558945733 /nfs/dbraw/zinc/94/57/33/558945733.db2.gz RJAUJZZVVIJGDE-QGZVFWFLSA-N 1 2 421.526 3.122 40 0 HGABLO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348895 558945735 /nfs/dbraw/zinc/94/57/35/558945735.db2.gz RJAUJZZVVIJGDE-QGZVFWFLSA-N 1 2 421.526 3.122 40 0 HGABLO CC(C)(C)c1[nH]c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2[nH+]1 ZINC000019665723 558955808 /nfs/dbraw/zinc/95/58/08/558955808.db2.gz VRNPGVXKVXFSCV-HSZRJFAPSA-N 1 2 419.485 3.266 40 0 HGABLO CC(=O)N1CCC(c2nc3c(c(N(C)CCCc4ccccc4)n2)C[N@H+](C)CC3)CC1 ZINC000072372294 558959746 /nfs/dbraw/zinc/95/97/46/558959746.db2.gz NIQNODKKDCGNKG-UHFFFAOYSA-N 1 2 421.589 3.259 40 0 HGABLO CC(=O)N1CCC(c2nc3c(c(N(C)CCCc4ccccc4)n2)C[N@@H+](C)CC3)CC1 ZINC000072372294 558959747 /nfs/dbraw/zinc/95/97/47/558959747.db2.gz NIQNODKKDCGNKG-UHFFFAOYSA-N 1 2 421.589 3.259 40 0 HGABLO Cc1nc(NC(=O)C[N@H+]2CC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)sc1C ZINC000072374655 558962424 /nfs/dbraw/zinc/96/24/24/558962424.db2.gz XDWLGMGETUDQBZ-MRXNPFEDSA-N 1 2 410.547 3.292 40 0 HGABLO Cc1nc(NC(=O)C[N@@H+]2CC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)sc1C ZINC000072374655 558962426 /nfs/dbraw/zinc/96/24/26/558962426.db2.gz XDWLGMGETUDQBZ-MRXNPFEDSA-N 1 2 410.547 3.292 40 0 HGABLO CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000072374760 558962756 /nfs/dbraw/zinc/96/27/56/558962756.db2.gz DHVTVOQWFMDMSJ-LJQANCHMSA-N 1 2 405.539 3.496 40 0 HGABLO Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)ncn3C2CC2)[NH+]2CCOCC2)cc1 ZINC000019714304 558974107 /nfs/dbraw/zinc/97/41/07/558974107.db2.gz MABLQCKCVIJMOL-QHCPKHFHSA-N 1 2 404.514 3.483 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)CC2 ZINC000019716665 558978716 /nfs/dbraw/zinc/97/87/16/558978716.db2.gz ZDJPVVMRCBDHKM-LJQANCHMSA-N 1 2 410.514 3.481 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)CC2 ZINC000019716665 558978717 /nfs/dbraw/zinc/97/87/17/558978717.db2.gz ZDJPVVMRCBDHKM-LJQANCHMSA-N 1 2 410.514 3.481 40 0 HGABLO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)N2CCCC2)C1 ZINC000585101972 559025097 /nfs/dbraw/zinc/02/50/97/559025097.db2.gz NRWIASJYTIBYNG-HSZRJFAPSA-N 1 2 401.551 3.188 40 0 HGABLO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)N2CCCC2)C1 ZINC000585101972 559025098 /nfs/dbraw/zinc/02/50/98/559025098.db2.gz NRWIASJYTIBYNG-HSZRJFAPSA-N 1 2 401.551 3.188 40 0 HGABLO Cn1c[nH+]c([C@@H]2C[C@@]3(CN2C(=O)Cc2cccc(F)c2)CCCN(CC2CC2)C3=O)c1 ZINC000585106396 559028794 /nfs/dbraw/zinc/02/87/94/559028794.db2.gz AAJJVECZAFGUIZ-XUZZJYLKSA-N 1 2 424.520 3.094 40 0 HGABLO COCc1ccc(C(=O)N2CCc3[nH+]cc(-c4cccc(NC(C)=O)c4)n3CC2)cc1 ZINC000585111226 559031818 /nfs/dbraw/zinc/03/18/18/559031818.db2.gz KGCWWMNOKPOJDB-UHFFFAOYSA-N 1 2 418.497 3.353 40 0 HGABLO O=C(c1ccc(C(F)(F)F)cc1)N1CCCn2c(C[NH+]3CCCCC3)nnc2C1 ZINC000096259687 559106046 /nfs/dbraw/zinc/10/60/46/559106046.db2.gz URKOHZUGDYYPGI-UHFFFAOYSA-N 1 2 407.440 3.329 40 0 HGABLO O=C(NCc1ccccc1)c1cn(-c2[nH+]c(CNc3cccnc3)c3ccccn32)cn1 ZINC000096267084 559107960 /nfs/dbraw/zinc/10/79/60/559107960.db2.gz USXBKJIRKWFNSX-UHFFFAOYSA-N 1 2 423.480 3.457 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3cc(Cl)ccc3C)C1=O)CC2 ZINC000102332210 559150027 /nfs/dbraw/zinc/15/00/27/559150027.db2.gz HDEFXVKFDTZBNY-SFHVURJKSA-N 1 2 414.889 3.356 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3cc(Cl)ccc3C)C1=O)CC2 ZINC000102332210 559150029 /nfs/dbraw/zinc/15/00/29/559150029.db2.gz HDEFXVKFDTZBNY-SFHVURJKSA-N 1 2 414.889 3.356 40 0 HGABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000000889013 560542313 /nfs/dbraw/zinc/54/23/13/560542313.db2.gz CVSPEMDCNMCMFP-QFIPXVFZSA-N 1 2 414.513 3.447 40 0 HGABLO COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000017088951 560863890 /nfs/dbraw/zinc/86/38/90/560863890.db2.gz IOPRLILHPBHKFV-IZZDOVSWSA-N 1 2 411.527 3.054 40 0 HGABLO CCC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019501857 560873689 /nfs/dbraw/zinc/87/36/89/560873689.db2.gz KWKZPIBIJQHZMP-SFHVURJKSA-N 1 2 414.554 3.206 40 0 HGABLO CSc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1NC(C)=O ZINC000222965055 568532579 /nfs/dbraw/zinc/53/25/79/568532579.db2.gz PSODVWYDEWIVTA-UHFFFAOYSA-N 1 2 416.528 3.031 40 0 HGABLO Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223168079 568539983 /nfs/dbraw/zinc/53/99/83/568539983.db2.gz ZJWCHUVMAFWNGV-ZWKOTPCHSA-N 1 2 402.589 3.146 40 0 HGABLO Cc1ccc([C@H](C)[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C ZINC000026417048 568547703 /nfs/dbraw/zinc/54/77/03/568547703.db2.gz ZVOJXXWTCOQSDR-SFHVURJKSA-N 1 2 416.543 3.142 40 0 HGABLO COc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)s2)cc1 ZINC000225592727 568655570 /nfs/dbraw/zinc/65/55/70/568655570.db2.gz DNHZTQLJCJYWRX-UHFFFAOYSA-N 1 2 410.499 3.298 40 0 HGABLO COc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c(OC)c1 ZINC000225777761 568673948 /nfs/dbraw/zinc/67/39/48/568673948.db2.gz ALSZTYFMBAPJMY-UHFFFAOYSA-N 1 2 401.532 3.023 40 0 HGABLO O=C1CCCN1c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000225778544 568674213 /nfs/dbraw/zinc/67/42/13/568674213.db2.gz GLDZTPLJQMSJRR-UHFFFAOYSA-N 1 2 424.570 3.132 40 0 HGABLO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225792362 568675142 /nfs/dbraw/zinc/67/51/42/568675142.db2.gz PBXRFLMLSIWUMG-UHFFFAOYSA-N 1 2 416.481 3.139 40 0 HGABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1C ZINC000257211302 568779455 /nfs/dbraw/zinc/77/94/55/568779455.db2.gz BYJXLERGEGBNFF-MRXNPFEDSA-N 1 2 401.474 3.082 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@]12CCCO2 ZINC000257229935 568784915 /nfs/dbraw/zinc/78/49/15/568784915.db2.gz GABWMHINMSGXNI-RXVVDRJESA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@]12CCCO2 ZINC000257229935 568784916 /nfs/dbraw/zinc/78/49/16/568784916.db2.gz GABWMHINMSGXNI-RXVVDRJESA-N 1 2 419.522 3.081 40 0 HGABLO Cc1ccccc1OCCC(=O)N1CCO[C@H](c2cccc(-c3ccc(N)[nH+]c3)n2)C1 ZINC000257305174 568806061 /nfs/dbraw/zinc/80/60/61/568806061.db2.gz SOSJNJRANIHWCK-QFIPXVFZSA-N 1 2 418.497 3.403 40 0 HGABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cnn1C ZINC000257329724 568813074 /nfs/dbraw/zinc/81/30/74/568813074.db2.gz XLFWBYBXPRORBB-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1c(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cnn1C ZINC000257329724 568813077 /nfs/dbraw/zinc/81/30/77/568813077.db2.gz XLFWBYBXPRORBB-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(OC)c(C)c1 ZINC000261365313 568819740 /nfs/dbraw/zinc/81/97/40/568819740.db2.gz RHWRWGSCZDZFJQ-OAQYLSRUSA-O 1 2 423.518 3.479 40 0 HGABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000306129552 568891996 /nfs/dbraw/zinc/89/19/96/568891996.db2.gz IGTOVVINPFXFGV-RXVVDRJESA-N 1 2 417.579 3.173 40 0 HGABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000306129552 568891999 /nfs/dbraw/zinc/89/19/99/568891999.db2.gz IGTOVVINPFXFGV-RXVVDRJESA-N 1 2 417.579 3.173 40 0 HGABLO Cc1ncsc1C[N@@H+]1C[C@@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306138307 568900249 /nfs/dbraw/zinc/90/02/49/568900249.db2.gz RURADFDVMUUQFP-VQIMIIECSA-N 1 2 415.515 3.408 40 0 HGABLO Cc1ncsc1C[N@H+]1C[C@@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306138307 568900250 /nfs/dbraw/zinc/90/02/50/568900250.db2.gz RURADFDVMUUQFP-VQIMIIECSA-N 1 2 415.515 3.408 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000101345992 568917102 /nfs/dbraw/zinc/91/71/02/568917102.db2.gz IWNOZIKSIZMADR-YUMYIRISSA-N 1 2 402.494 3.447 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000101345992 568917105 /nfs/dbraw/zinc/91/71/05/568917105.db2.gz IWNOZIKSIZMADR-YUMYIRISSA-N 1 2 402.494 3.447 40 0 HGABLO OCCCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329017352 568972886 /nfs/dbraw/zinc/97/28/86/568972886.db2.gz NKYCYAXYERBKGR-UHFFFAOYSA-N 1 2 404.392 3.424 40 0 HGABLO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022030623 569042550 /nfs/dbraw/zinc/04/25/50/569042550.db2.gz ANFQGFDMBBGCAT-OAQYLSRUSA-N 1 2 402.922 3.100 40 0 HGABLO CC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022030623 569042551 /nfs/dbraw/zinc/04/25/51/569042551.db2.gz ANFQGFDMBBGCAT-OAQYLSRUSA-N 1 2 402.922 3.100 40 0 HGABLO O=C(C[N@H+]1CC[C@@H](c2cc(COc3ccccc3F)n[nH]2)C1)NC1CCCCC1 ZINC000019738947 569348615 /nfs/dbraw/zinc/34/86/15/569348615.db2.gz OXQHOHCYYJDVJM-MRXNPFEDSA-N 1 2 400.498 3.366 40 0 HGABLO O=C(C[N@@H+]1CC[C@@H](c2cc(COc3ccccc3F)n[nH]2)C1)NC1CCCCC1 ZINC000019738947 569348616 /nfs/dbraw/zinc/34/86/16/569348616.db2.gz OXQHOHCYYJDVJM-MRXNPFEDSA-N 1 2 400.498 3.366 40 0 HGABLO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019759255 569348785 /nfs/dbraw/zinc/34/87/85/569348785.db2.gz BDHLJXIAVXIRJS-NRFANRHFSA-N 1 2 423.561 3.331 40 0 HGABLO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019759255 569348786 /nfs/dbraw/zinc/34/87/86/569348786.db2.gz BDHLJXIAVXIRJS-NRFANRHFSA-N 1 2 423.561 3.331 40 0 HGABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000012114544 558327640 /nfs/dbraw/zinc/32/76/40/558327640.db2.gz ZAEJAKLDKPMVJP-UHFFFAOYSA-N 1 2 408.546 3.384 40 0 HGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000012145817 558337117 /nfs/dbraw/zinc/33/71/17/558337117.db2.gz NPDNIGKFFUHORI-QGZVFWFLSA-N 1 2 406.486 3.318 40 0 HGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000020635704 558395656 /nfs/dbraw/zinc/39/56/56/558395656.db2.gz QRDAILIWHBPQEN-MRXNPFEDSA-N 1 2 416.485 3.267 40 0 HGABLO CCNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000020801934 558415587 /nfs/dbraw/zinc/41/55/87/558415587.db2.gz CAAXELIIGWLSSK-INIZCTEOSA-N 1 2 418.501 3.136 40 0 HGABLO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1c(Cl)cccc1Cl ZINC000021847497 558452277 /nfs/dbraw/zinc/45/22/77/558452277.db2.gz GOXBUGQIGZZPST-UHFFFAOYSA-N 1 2 422.312 3.478 40 0 HGABLO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)C[N@H+](Cc2cccc(C)n2)CCO1 ZINC000019236296 558855324 /nfs/dbraw/zinc/85/53/24/558855324.db2.gz KSIRDUDIOPPLRW-VWLOTQADSA-N 1 2 416.525 3.012 40 0 HGABLO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)C[N@@H+](Cc2cccc(C)n2)CCO1 ZINC000019236296 558855325 /nfs/dbraw/zinc/85/53/25/558855325.db2.gz KSIRDUDIOPPLRW-VWLOTQADSA-N 1 2 416.525 3.012 40 0 HGABLO Clc1ccc(-c2n[nH]cc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)cc1 ZINC000019338635 558870835 /nfs/dbraw/zinc/87/08/35/558870835.db2.gz SFYZQJCMVBJVOX-UHFFFAOYSA-N 1 2 411.937 3.460 40 0 HGABLO CCc1c(C)sc2ncn([C@H]3CCC[N@H+](CC(=O)NC4CCCC4)C3)c(=O)c12 ZINC000019521819 558902970 /nfs/dbraw/zinc/90/29/70/558902970.db2.gz GEKWSMMAPHRLRF-INIZCTEOSA-N 1 2 402.564 3.025 40 0 HGABLO CCc1c(C)sc2ncn([C@H]3CCC[N@@H+](CC(=O)NC4CCCC4)C3)c(=O)c12 ZINC000019521819 558902973 /nfs/dbraw/zinc/90/29/73/558902973.db2.gz GEKWSMMAPHRLRF-INIZCTEOSA-N 1 2 402.564 3.025 40 0 HGABLO COc1ccc([C@H](CN(C)C(=O)Cc2ccc(OC)c(C)c2)[NH+]2CCOCC2)cc1 ZINC000019571003 558929687 /nfs/dbraw/zinc/92/96/87/558929687.db2.gz LSAUKYAYBDADIT-QFIPXVFZSA-N 1 2 412.530 3.087 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@H+](CC(=O)NCC4CC4)C3)c(=O)c2c1C ZINC000072347709 558944677 /nfs/dbraw/zinc/94/46/77/558944677.db2.gz PAZKUBXOVUMCEM-KRWDZBQOSA-N 1 2 416.591 3.361 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@@H+](CC(=O)NCC4CC4)C3)c(=O)c2c1C ZINC000072347709 558944679 /nfs/dbraw/zinc/94/46/79/558944679.db2.gz PAZKUBXOVUMCEM-KRWDZBQOSA-N 1 2 416.591 3.361 40 0 HGABLO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348896 558945696 /nfs/dbraw/zinc/94/56/96/558945696.db2.gz RJAUJZZVVIJGDE-KRWDZBQOSA-N 1 2 421.526 3.122 40 0 HGABLO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348896 558945698 /nfs/dbraw/zinc/94/56/98/558945698.db2.gz RJAUJZZVVIJGDE-KRWDZBQOSA-N 1 2 421.526 3.122 40 0 HGABLO Cc1ccc(CC(=O)N2C[C@@]3(C[C@H]2c2cn(C)c[nH+]2)CCCN(CC2CC2)C3=O)cc1 ZINC000585106490 559028761 /nfs/dbraw/zinc/02/87/61/559028761.db2.gz VZEWFIMWZYXMHE-DHLKQENFSA-N 1 2 420.557 3.263 40 0 HGABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)COCc2ccccc2)CC3)c1 ZINC000585111422 559030411 /nfs/dbraw/zinc/03/04/11/559030411.db2.gz TWJJKSFGGBWVMS-UHFFFAOYSA-N 1 2 418.497 3.110 40 0 HGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cscn1)CC2 ZINC000096145010 559097019 /nfs/dbraw/zinc/09/70/19/559097019.db2.gz JZPVVDKNJFAWJM-UHFFFAOYSA-N 1 2 407.543 3.474 40 0 HGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cscn1)CC2 ZINC000096145010 559097020 /nfs/dbraw/zinc/09/70/20/559097020.db2.gz JZPVVDKNJFAWJM-UHFFFAOYSA-N 1 2 407.543 3.474 40 0 HGABLO Cc1[nH+]c(-c2cc(C(=O)N3CCC[C@@H](O)C3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266829 559107902 /nfs/dbraw/zinc/10/79/02/559107902.db2.gz CPWSFACPBBTOPD-LJQANCHMSA-N 1 2 415.497 3.151 40 0 HGABLO COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000103531054 559156214 /nfs/dbraw/zinc/15/62/14/559156214.db2.gz PPKBCXDRJPIAHD-YSTOQKLRSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000103531054 559156216 /nfs/dbraw/zinc/15/62/16/559156216.db2.gz PPKBCXDRJPIAHD-YSTOQKLRSA-N 1 2 424.884 3.184 40 0 HGABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000104278530 559159753 /nfs/dbraw/zinc/15/97/53/559159753.db2.gz LGICXQNMFARDRV-OAQYLSRUSA-N 1 2 422.481 3.386 40 0 HGABLO O=C(CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)NCCCn1cc[nH+]c1 ZINC000033585502 559216237 /nfs/dbraw/zinc/21/62/37/559216237.db2.gz SPVZIHBKDRCTSS-VBKFSLOCSA-N 1 2 418.906 3.169 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000001224898 560572654 /nfs/dbraw/zinc/57/26/54/560572654.db2.gz TUBPMSNWVCYLKJ-BTYIYWSLSA-N 1 2 422.533 3.460 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000001224898 560572656 /nfs/dbraw/zinc/57/26/56/560572656.db2.gz TUBPMSNWVCYLKJ-BTYIYWSLSA-N 1 2 422.533 3.460 40 0 HGABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000004848718 560610362 /nfs/dbraw/zinc/61/03/62/560610362.db2.gz QZJUNHGSMDSKQR-HXUWFJFHSA-N 1 2 410.522 3.316 40 0 HGABLO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 ZINC000014154800 560840069 /nfs/dbraw/zinc/84/00/69/560840069.db2.gz DQZSWKSTRHQUCC-UHFFFAOYSA-N 1 2 421.950 3.227 40 0 HGABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1I ZINC000016449341 560860832 /nfs/dbraw/zinc/86/08/32/560860832.db2.gz WXIAOHMRNSRSDU-UHFFFAOYSA-N 1 2 422.266 3.376 40 0 HGABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057645739 568494425 /nfs/dbraw/zinc/49/44/25/568494425.db2.gz HLZTVBMDAGJJFA-FQEVSTJZSA-N 1 2 424.549 3.274 40 0 HGABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057645739 568494426 /nfs/dbraw/zinc/49/44/26/568494426.db2.gz HLZTVBMDAGJJFA-FQEVSTJZSA-N 1 2 424.549 3.274 40 0 HGABLO COCCn1nnnc1[C@@H](CC(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670081 568494533 /nfs/dbraw/zinc/49/45/33/568494533.db2.gz KUANIWDAXIUJFE-LJQANCHMSA-N 1 2 406.962 3.191 40 0 HGABLO CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670496 568494753 /nfs/dbraw/zinc/49/47/53/568494753.db2.gz SFCFQBZJMFLIJW-UXHICEINSA-N 1 2 418.973 3.415 40 0 HGABLO CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670492 568494758 /nfs/dbraw/zinc/49/47/58/568494758.db2.gz SFCFQBZJMFLIJW-PMACEKPBSA-N 1 2 418.973 3.415 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cccc2ccccc21 ZINC000220009144 568501194 /nfs/dbraw/zinc/50/11/94/568501194.db2.gz JBMKYUVSTYDCPV-UHFFFAOYSA-N 1 2 423.538 3.337 40 0 HGABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CCC[NH+]1CCOCC1 ZINC000223168525 568539922 /nfs/dbraw/zinc/53/99/22/568539922.db2.gz AGPJBCYIJMZNCQ-MSOLQXFVSA-N 1 2 423.007 3.491 40 0 HGABLO CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223192838 568540718 /nfs/dbraw/zinc/54/07/18/568540718.db2.gz AKWGVBPBAONUNA-RTWAWAEBSA-N 1 2 413.591 3.159 40 0 HGABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223625224 568553732 /nfs/dbraw/zinc/55/37/32/568553732.db2.gz WUKFGCFRORPLFZ-FGZHOGPDSA-N 1 2 421.570 3.293 40 0 HGABLO O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCCn1cc[nH+]c1 ZINC000002489020 568775404 /nfs/dbraw/zinc/77/54/04/568775404.db2.gz MMYCMZWBOZKRRV-UHFFFAOYSA-N 1 2 411.409 3.251 40 0 HGABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@H]1CCc1ccncc1 ZINC000257202778 568776861 /nfs/dbraw/zinc/77/68/61/568776861.db2.gz ANKIOMPYGHSMCI-NRFANRHFSA-N 1 2 409.530 3.030 40 0 HGABLO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1 ZINC000257221102 568782220 /nfs/dbraw/zinc/78/22/20/568782220.db2.gz DNMGLDJCZSMYDV-HXUWFJFHSA-N 1 2 403.486 3.244 40 0 HGABLO O=C(C[N@H+]1CCc2ccccc2C1)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1 ZINC000257221102 568782222 /nfs/dbraw/zinc/78/22/22/568782222.db2.gz DNMGLDJCZSMYDV-HXUWFJFHSA-N 1 2 403.486 3.244 40 0 HGABLO CCCN1CC[N@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286513 568800569 /nfs/dbraw/zinc/80/05/69/568800569.db2.gz PLWPXHDTBHJMDL-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286513 568800571 /nfs/dbraw/zinc/80/05/71/568800571.db2.gz PLWPXHDTBHJMDL-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286513 568800572 /nfs/dbraw/zinc/80/05/72/568800572.db2.gz PLWPXHDTBHJMDL-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286513 568800574 /nfs/dbraw/zinc/80/05/74/568800574.db2.gz PLWPXHDTBHJMDL-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CNc1ncc(C[NH+]2CC3(C2)CO[C@@H]2c4cccc(OC)c4OC(C)(C)[C@H]2C3)cn1 ZINC000257312251 568807886 /nfs/dbraw/zinc/80/78/86/568807886.db2.gz UNAOEAIHRWYKRE-PKOBYXMFSA-N 1 2 410.518 3.278 40 0 HGABLO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)Cc1cccnc1 ZINC000257315065 568808726 /nfs/dbraw/zinc/80/87/26/568808726.db2.gz UZTNHDJRWMHRTD-NRFANRHFSA-N 1 2 404.514 3.498 40 0 HGABLO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)Cc1cccnc1 ZINC000257315065 568808728 /nfs/dbraw/zinc/80/87/28/568808728.db2.gz UZTNHDJRWMHRTD-NRFANRHFSA-N 1 2 404.514 3.498 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257316082 568809082 /nfs/dbraw/zinc/80/90/82/568809082.db2.gz VEAKVSAODOIHQA-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257316082 568809084 /nfs/dbraw/zinc/80/90/84/568809084.db2.gz VEAKVSAODOIHQA-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C1)CO2 ZINC000257329977 568813040 /nfs/dbraw/zinc/81/30/40/568813040.db2.gz XMFZGUHZTHTLNC-HSZRJFAPSA-N 1 2 404.470 3.330 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C1)CO2 ZINC000257329977 568813042 /nfs/dbraw/zinc/81/30/42/568813042.db2.gz XMFZGUHZTHTLNC-HSZRJFAPSA-N 1 2 404.470 3.330 40 0 HGABLO CSc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261362994 568819279 /nfs/dbraw/zinc/81/92/79/568819279.db2.gz OCRNKVKAQLPDAD-LJQANCHMSA-O 1 2 411.532 3.494 40 0 HGABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccn1C ZINC000261363578 568819564 /nfs/dbraw/zinc/81/95/64/568819564.db2.gz HPTFDPUAKSVMTL-HXUWFJFHSA-O 1 2 410.523 3.281 40 0 HGABLO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3Oc2ccc(C)cc2)cc1 ZINC000306123822 568886832 /nfs/dbraw/zinc/88/68/32/568886832.db2.gz AXWJJMJYGUARFQ-YPAWHYETSA-N 1 2 401.528 3.070 40 0 HGABLO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3Oc2ccc(C)cc2)cc1 ZINC000306123822 568886833 /nfs/dbraw/zinc/88/68/33/568886833.db2.gz AXWJJMJYGUARFQ-YPAWHYETSA-N 1 2 401.528 3.070 40 0 HGABLO CC(C)n1c2c(n3cc(-c4ccc(F)cc4)[nH+]c31)CN(C(=O)c1ccn(C)n1)CC2 ZINC000306128570 568891395 /nfs/dbraw/zinc/89/13/95/568891395.db2.gz HEXFXINPGNWHQN-UHFFFAOYSA-N 1 2 406.465 3.455 40 0 HGABLO COc1ccc(-c2cnc3c(N4CC[NH+](Cc5ccccn5)CC4)nccn23)cc1 ZINC000306131091 568893360 /nfs/dbraw/zinc/89/33/60/568893360.db2.gz JWMULLFOOPALLF-UHFFFAOYSA-N 1 2 400.486 3.122 40 0 HGABLO O=C(c1ccoc1)N1CCN(CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)[nH+]2)C1 ZINC000306131663 568894011 /nfs/dbraw/zinc/89/40/11/568894011.db2.gz KLNQGWFUFUMPHB-OAQYLSRUSA-N 1 2 419.529 3.437 40 0 HGABLO CC(C)c1nc2c(s1)C[N@H+](Cc1ccoc1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306132088 568894316 /nfs/dbraw/zinc/89/43/16/568894316.db2.gz KXZRGZVVZFYRQO-UHFFFAOYSA-N 1 2 409.577 3.169 40 0 HGABLO CC(C)c1nc2c(s1)C[N@@H+](Cc1ccoc1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306132088 568894318 /nfs/dbraw/zinc/89/43/18/568894318.db2.gz KXZRGZVVZFYRQO-UHFFFAOYSA-N 1 2 409.577 3.169 40 0 HGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccccc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306132689 568894759 /nfs/dbraw/zinc/89/47/59/568894759.db2.gz LPHXGAULCPHTHW-HYBUGGRVSA-N 1 2 406.530 3.332 40 0 HGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306140222 568902161 /nfs/dbraw/zinc/90/21/61/568902161.db2.gz UNHUNLMPYNPRES-CVDCTZTESA-N 1 2 420.490 3.233 40 0 HGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306140222 568902162 /nfs/dbraw/zinc/90/21/62/568902162.db2.gz UNHUNLMPYNPRES-CVDCTZTESA-N 1 2 420.490 3.233 40 0 HGABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccc(O)c(F)c1)CCO2 ZINC000306142695 568904566 /nfs/dbraw/zinc/90/45/66/568904566.db2.gz XGPAYDPXDQCLND-GHTZIAJQSA-N 1 2 419.522 3.240 40 0 HGABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(O)c(F)c1)CCO2 ZINC000306142695 568904567 /nfs/dbraw/zinc/90/45/67/568904567.db2.gz XGPAYDPXDQCLND-GHTZIAJQSA-N 1 2 419.522 3.240 40 0 HGABLO C[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328984038 568971157 /nfs/dbraw/zinc/97/11/57/568971157.db2.gz HKACSDCYAGLMEJ-CQSZACIVSA-N 1 2 413.319 3.155 40 0 HGABLO O=S1(=O)C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575423358 569026389 /nfs/dbraw/zinc/02/63/89/569026389.db2.gz ZYFOLGCUEUKEHV-DHIUTWEWSA-N 1 2 407.535 3.436 40 0 HGABLO O=S1(=O)C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575423358 569026390 /nfs/dbraw/zinc/02/63/90/569026390.db2.gz ZYFOLGCUEUKEHV-DHIUTWEWSA-N 1 2 407.535 3.436 40 0 HGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230595 569313869 /nfs/dbraw/zinc/31/38/69/569313869.db2.gz VBMTZEQWPXOMBR-FOUBCARRSA-N 1 2 412.511 3.300 40 0 HGABLO Cc1cccc(C2(C(=O)N3CCC[C@](C)(c4cc(N)nc(C)[nH+]4)C3)CCOCC2)c1 ZINC000585261905 571310849 /nfs/dbraw/zinc/31/08/49/571310849.db2.gz OZXXTRCDFDPVDE-QHCPKHFHSA-N 1 2 408.546 3.304 40 0 HGABLO O=C(C[C@H]1C=CCC1)N1CCC(c2ccc3c(NCc4[nH]cc[nH+]4)n[nH]c3n2)CC1 ZINC000019745164 558265699 /nfs/dbraw/zinc/26/56/99/558265699.db2.gz WVZYCSMNRACQPQ-HNNXBMFYSA-N 1 2 405.506 3.355 40 0 HGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4cc(COC)ccc4OC)C3)[nH]n2c1=O ZINC000012276366 558364204 /nfs/dbraw/zinc/36/42/04/558364204.db2.gz TVJZUSAQGTYFOU-KRWDZBQOSA-N 1 2 410.518 3.450 40 0 HGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cc(COC)ccc4OC)C3)[nH]n2c1=O ZINC000012276366 558364206 /nfs/dbraw/zinc/36/42/06/558364206.db2.gz TVJZUSAQGTYFOU-KRWDZBQOSA-N 1 2 410.518 3.450 40 0 HGABLO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020491433 558377941 /nfs/dbraw/zinc/37/79/41/558377941.db2.gz UKXFDXLJOZQGRW-HNNXBMFYSA-N 1 2 402.878 3.180 40 0 HGABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000026786564 558665163 /nfs/dbraw/zinc/66/51/63/558665163.db2.gz SKAWHXIQKIJULG-UHFFFAOYSA-N 1 2 415.559 3.173 40 0 HGABLO O=c1c(C[N@H+](CCN2CCOCC2)Cc2cccnc2)coc2ccc(Cl)cc12 ZINC000019338672 558870866 /nfs/dbraw/zinc/87/08/66/558870866.db2.gz FCOABKHYWTUEAV-UHFFFAOYSA-N 1 2 413.905 3.176 40 0 HGABLO O=c1c(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)coc2ccc(Cl)cc12 ZINC000019338672 558870868 /nfs/dbraw/zinc/87/08/68/558870868.db2.gz FCOABKHYWTUEAV-UHFFFAOYSA-N 1 2 413.905 3.176 40 0 HGABLO CC(C)OCc1ccc(C(=O)N2CCN([C@@H](c3[nH+]ccn3C)c3ccccc3)CC2)o1 ZINC000019450476 558888883 /nfs/dbraw/zinc/88/88/83/558888883.db2.gz ITQVKAWVYLVDDP-JOCHJYFZSA-N 1 2 422.529 3.486 40 0 HGABLO COc1ccc(OC)c(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1 ZINC000019453679 558891038 /nfs/dbraw/zinc/89/10/38/558891038.db2.gz PNRAWEOKAIDVEA-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO COc1ccc(OC)c(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1 ZINC000019453679 558891040 /nfs/dbraw/zinc/89/10/40/558891040.db2.gz PNRAWEOKAIDVEA-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)s1 ZINC000019526518 558907723 /nfs/dbraw/zinc/90/77/23/558907723.db2.gz JPCGJWRSPYGNBK-GOSISDBHSA-N 1 2 410.547 3.472 40 0 HGABLO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)s1 ZINC000019526518 558907725 /nfs/dbraw/zinc/90/77/25/558907725.db2.gz JPCGJWRSPYGNBK-GOSISDBHSA-N 1 2 410.547 3.472 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072345966 558942736 /nfs/dbraw/zinc/94/27/36/558942736.db2.gz AQOZMSLYMPJOBO-CQSZACIVSA-N 1 2 412.494 3.140 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072345966 558942738 /nfs/dbraw/zinc/94/27/38/558942738.db2.gz AQOZMSLYMPJOBO-CQSZACIVSA-N 1 2 412.494 3.140 40 0 HGABLO COc1ccc(OC)c(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)c1 ZINC000072351869 558948149 /nfs/dbraw/zinc/94/81/49/558948149.db2.gz PYWBEKDRNYERND-QHCPKHFHSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(OC)c(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)c1 ZINC000072351869 558948151 /nfs/dbraw/zinc/94/81/51/558948151.db2.gz PYWBEKDRNYERND-QHCPKHFHSA-N 1 2 417.509 3.309 40 0 HGABLO CCc1nnsc1C(=O)N1CCC[C@H](c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)C1 ZINC000072353695 558950630 /nfs/dbraw/zinc/95/06/30/558950630.db2.gz PAKSJTYAXWCPFC-HNNXBMFYSA-N 1 2 408.531 3.468 40 0 HGABLO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000072358599 558954367 /nfs/dbraw/zinc/95/43/67/558954367.db2.gz QQEZWULIILIJDV-OAHLLOKOSA-N 1 2 409.515 3.427 40 0 HGABLO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000072358599 558954371 /nfs/dbraw/zinc/95/43/71/558954371.db2.gz QQEZWULIILIJDV-OAHLLOKOSA-N 1 2 409.515 3.427 40 0 HGABLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 ZINC000072373757 558961254 /nfs/dbraw/zinc/96/12/54/558961254.db2.gz ZTSKBTLIHKRNIP-NRFANRHFSA-N 1 2 422.577 3.138 40 0 HGABLO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 ZINC000072373757 558961256 /nfs/dbraw/zinc/96/12/56/558961256.db2.gz ZTSKBTLIHKRNIP-NRFANRHFSA-N 1 2 422.577 3.138 40 0 HGABLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCC1 ZINC000072374495 558962266 /nfs/dbraw/zinc/96/22/66/558962266.db2.gz NGLOGTKKMYASEQ-FQEVSTJZSA-N 1 2 404.518 3.329 40 0 HGABLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCC1 ZINC000072374495 558962268 /nfs/dbraw/zinc/96/22/68/558962268.db2.gz NGLOGTKKMYASEQ-FQEVSTJZSA-N 1 2 404.518 3.329 40 0 HGABLO CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Cc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000072374759 558962612 /nfs/dbraw/zinc/96/26/12/558962612.db2.gz DHVTVOQWFMDMSJ-IBGZPJMESA-N 1 2 405.539 3.496 40 0 HGABLO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cncc(Nc3cnccn3)n1)OCCO2 ZINC000072376433 558965881 /nfs/dbraw/zinc/96/58/81/558965881.db2.gz SNJCPVKJGPEDDN-KRWDZBQOSA-N 1 2 420.473 3.127 40 0 HGABLO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cncc(Nc3cnccn3)n1)OCCO2 ZINC000072376433 558965883 /nfs/dbraw/zinc/96/58/83/558965883.db2.gz SNJCPVKJGPEDDN-KRWDZBQOSA-N 1 2 420.473 3.127 40 0 HGABLO Cc1nc2c(C)cccn2c1C(=O)Nc1cc(C)ccc1OCC[NH+]1CCOCC1 ZINC000019716781 558978915 /nfs/dbraw/zinc/97/89/15/558978915.db2.gz GYQZRCDKIWVNNU-UHFFFAOYSA-N 1 2 408.502 3.223 40 0 HGABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)COCc2ccccc2)CC3)c1 ZINC000585111545 559030557 /nfs/dbraw/zinc/03/05/57/559030557.db2.gz VFKRMVVUXSSUQN-UHFFFAOYSA-N 1 2 405.498 3.298 40 0 HGABLO Cc1cc(C)cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)c1 ZINC000096251252 559105297 /nfs/dbraw/zinc/10/52/97/559105297.db2.gz BMPLKZKWLCPTPR-OFVILXPXSA-N 1 2 420.557 3.145 40 0 HGABLO Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)n1 ZINC000585292234 559124674 /nfs/dbraw/zinc/12/46/74/559124674.db2.gz YWIBTCVJHDUDMM-IJDCCNJMSA-N 1 2 403.490 3.375 40 0 HGABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccccc4Cl)C[C@H]2N(C)C3=O)cn1 ZINC000514290367 560029888 /nfs/dbraw/zinc/02/98/88/560029888.db2.gz YSWPYBOWPUKGAM-IRLDBZIGSA-N 1 2 422.916 3.458 40 0 biogenic,in-vitro HGABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccccc4Cl)C[C@H]2N(C)C3=O)cn1 ZINC000514290367 560029890 /nfs/dbraw/zinc/02/98/90/560029890.db2.gz YSWPYBOWPUKGAM-IRLDBZIGSA-N 1 2 422.916 3.458 40 0 biogenic,in-vitro HGABLO Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000894643 560543349 /nfs/dbraw/zinc/54/33/49/560543349.db2.gz OGQJSHLRAFXAFV-JOCHJYFZSA-N 1 2 414.513 3.365 40 0 HGABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000001224819 560572628 /nfs/dbraw/zinc/57/26/28/560572628.db2.gz NRAZFABSROGYDO-FQEVSTJZSA-N 1 2 408.506 3.214 40 0 HGABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000019222133 560872083 /nfs/dbraw/zinc/87/20/83/560872083.db2.gz UTZYPNHZSFWLBL-UHFFFAOYSA-N 1 2 420.513 3.203 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc(OC)ccc1OC)[NH+]1CCC(C(N)=O)CC1 ZINC000057669973 568494631 /nfs/dbraw/zinc/49/46/31/568494631.db2.gz LUNIFHKVHQWWHP-GOSISDBHSA-N 1 2 416.526 3.172 40 0 HGABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C[C@@H]3CCCO3)CC2)c1 ZINC000057670500 568494672 /nfs/dbraw/zinc/49/46/72/568494672.db2.gz NEQLBBBDOZNFGI-UNMCSNQZSA-N 1 2 412.582 3.378 40 0 HGABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000057671049 568494936 /nfs/dbraw/zinc/49/49/36/568494936.db2.gz KOYWHHNUVUWGAF-JOCHJYFZSA-N 1 2 424.524 3.388 40 0 HGABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000219973153 568500595 /nfs/dbraw/zinc/50/05/95/568500595.db2.gz LAIMNSABXLPUTE-UHFFFAOYSA-N 1 2 423.538 3.169 40 0 HGABLO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000222964968 568532552 /nfs/dbraw/zinc/53/25/52/568532552.db2.gz GWXUDQXLEIHNGG-IBGZPJMESA-N 1 2 408.542 3.481 40 0 HGABLO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)s1 ZINC000223168150 568539902 /nfs/dbraw/zinc/53/99/02/568539902.db2.gz JWCJEZOMUXUWBV-RTBURBONSA-N 1 2 402.589 3.146 40 0 HGABLO COCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257238542 568787097 /nfs/dbraw/zinc/78/70/97/568787097.db2.gz HLMMOTUFUAQWSG-LJQANCHMSA-N 1 2 416.485 3.127 40 0 HGABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)CCC2 ZINC000257241744 568787907 /nfs/dbraw/zinc/78/79/07/568787907.db2.gz HZLLFWIVZRIXKZ-HSZRJFAPSA-N 1 2 417.513 3.192 40 0 HGABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)CCC2 ZINC000257241744 568787908 /nfs/dbraw/zinc/78/79/08/568787908.db2.gz HZLLFWIVZRIXKZ-HSZRJFAPSA-N 1 2 417.513 3.192 40 0 HGABLO COCCc1ncc(CN2CCO[C@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)cn1 ZINC000257249315 568790141 /nfs/dbraw/zinc/79/01/41/568790141.db2.gz JHQPWSBMPQDLSG-NRFANRHFSA-N 1 2 420.517 3.081 40 0 HGABLO Cc1nc(N2CCC[C@](C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)C2)cc[nH+]1 ZINC000257290694 568801693 /nfs/dbraw/zinc/80/16/93/568801693.db2.gz QDZFNVHKHONLEP-NRFANRHFSA-N 1 2 410.547 3.237 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 ZINC000257304163 568805663 /nfs/dbraw/zinc/80/56/63/568805663.db2.gz SKHLZCNADBQGMP-FXAWDEMLSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 ZINC000257304163 568805665 /nfs/dbraw/zinc/80/56/65/568805665.db2.gz SKHLZCNADBQGMP-FXAWDEMLSA-N 1 2 405.495 3.158 40 0 HGABLO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3Oc2ccc(C)cc2)cc1 ZINC000306123819 568886855 /nfs/dbraw/zinc/88/68/55/568886855.db2.gz AXWJJMJYGUARFQ-BHIFYINESA-N 1 2 401.528 3.070 40 0 HGABLO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3Oc2ccc(C)cc2)cc1 ZINC000306123819 568886857 /nfs/dbraw/zinc/88/68/57/568886857.db2.gz AXWJJMJYGUARFQ-BHIFYINESA-N 1 2 401.528 3.070 40 0 HGABLO CN1CC[N@H+](Cc2ccncc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306128059 568890923 /nfs/dbraw/zinc/89/09/23/568890923.db2.gz GPBFYDZUJWSXQI-JOCHJYFZSA-N 1 2 402.477 3.419 40 0 HGABLO CN1CC[N@@H+](Cc2ccncc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306128059 568890925 /nfs/dbraw/zinc/89/09/25/568890925.db2.gz GPBFYDZUJWSXQI-JOCHJYFZSA-N 1 2 402.477 3.419 40 0 HGABLO COc1cccc(CN2CCC[C@]3(C[N@H+](Cc4cnn(C)c4)CC(F)(F)C3)C2=O)c1 ZINC000306133577 568895547 /nfs/dbraw/zinc/89/55/47/568895547.db2.gz MQBQDQLMNPKEPY-NRFANRHFSA-N 1 2 418.488 3.079 40 0 HGABLO COc1cccc(CN2CCC[C@]3(C[N@@H+](Cc4cnn(C)c4)CC(F)(F)C3)C2=O)c1 ZINC000306133577 568895548 /nfs/dbraw/zinc/89/55/48/568895548.db2.gz MQBQDQLMNPKEPY-NRFANRHFSA-N 1 2 418.488 3.079 40 0 HGABLO C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000306137403 568899339 /nfs/dbraw/zinc/89/93/39/568899339.db2.gz QVLJOOCSBDNAQW-UHFFFAOYSA-N 1 2 407.543 3.012 40 0 HGABLO C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000306137403 568899341 /nfs/dbraw/zinc/89/93/41/568899341.db2.gz QVLJOOCSBDNAQW-UHFFFAOYSA-N 1 2 407.543 3.012 40 0 HGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)C3CCC3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306139909 568901568 /nfs/dbraw/zinc/90/15/68/568901568.db2.gz UDRSGCRZXNSLAC-GBXCKJPGSA-N 1 2 421.545 3.004 40 0 HGABLO Cc1ncsc1C[N@@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306143409 568905006 /nfs/dbraw/zinc/90/50/06/568905006.db2.gz YBRFTXFXZHVXIY-UYAOXDASSA-N 1 2 405.589 3.386 40 0 HGABLO Cc1ncsc1C[N@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306143409 568905008 /nfs/dbraw/zinc/90/50/08/568905008.db2.gz YBRFTXFXZHVXIY-UYAOXDASSA-N 1 2 405.589 3.386 40 0 HGABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccccn3)nc(NC3CC3)[nH+]2)c1 ZINC000329031715 568973775 /nfs/dbraw/zinc/97/37/75/568973775.db2.gz QKBOKXFNZSCRCC-UHFFFAOYSA-N 1 2 401.392 3.467 40 0 HGABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000137101446 569014266 /nfs/dbraw/zinc/01/42/66/569014266.db2.gz ABRNRMCBTPZDPW-NXEZZACHSA-N 1 2 404.357 3.378 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3ccc(-c4cncnc4)cn3)C1)CO2 ZINC000019692545 569346105 /nfs/dbraw/zinc/34/61/05/569346105.db2.gz HOZJXIPPATYTCK-DEOSSOPVSA-N 1 2 416.481 3.397 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3ccc(-c4cncnc4)cn3)C1)CO2 ZINC000019692545 569346106 /nfs/dbraw/zinc/34/61/06/569346106.db2.gz HOZJXIPPATYTCK-DEOSSOPVSA-N 1 2 416.481 3.397 40 0 HGABLO O=C(C[N@H+]1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)NC1CCCCC1 ZINC000019738945 569348606 /nfs/dbraw/zinc/34/86/06/569348606.db2.gz GVVKIYPGIWDSOI-MRXNPFEDSA-N 1 2 400.498 3.366 40 0 HGABLO O=C(C[N@@H+]1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)NC1CCCCC1 ZINC000019738945 569348607 /nfs/dbraw/zinc/34/86/07/569348607.db2.gz GVVKIYPGIWDSOI-MRXNPFEDSA-N 1 2 400.498 3.366 40 0 HGABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)OCO4)n2)c1 ZINC000035425089 291237416 /nfs/dbraw/zinc/23/74/16/291237416.db2.gz KRCPFFCTSOAUEI-SFHVURJKSA-N 1 2 424.457 3.223 40 0 biogenic,in-vitro HGABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)OCO4)n2)c1 ZINC000035425089 291237420 /nfs/dbraw/zinc/23/74/20/291237420.db2.gz KRCPFFCTSOAUEI-SFHVURJKSA-N 1 2 424.457 3.223 40 0 biogenic,in-vitro HGABLO C[C@@H]1CN(C(=O)C(O)(c2ccccc2)c2ccccc2)[C@@H](C)CN1c1cccc[nH+]1 ZINC000004721602 132285761 /nfs/dbraw/zinc/28/57/61/132285761.db2.gz CXJFQPSXYKSEFJ-UXHICEINSA-N 1 2 401.510 3.443 40 0 HGABLO Cc1nc2c(c(N3CCN(c4ccccn4)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183337 132355971 /nfs/dbraw/zinc/35/59/71/132355971.db2.gz DOMKFQJIQRJFKQ-UHFFFAOYSA-N 1 2 400.530 3.065 40 0 HGABLO Cc1nc2c(c(N3CCN(c4ccccn4)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183337 132355972 /nfs/dbraw/zinc/35/59/72/132355972.db2.gz DOMKFQJIQRJFKQ-UHFFFAOYSA-N 1 2 400.530 3.065 40 0 HGABLO O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035380257 557536339 /nfs/dbraw/zinc/53/63/39/557536339.db2.gz UPVXRZXAZJOAQF-YRXWBPOGSA-N 1 2 412.848 3.314 40 0 HGABLO O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035380257 557536341 /nfs/dbraw/zinc/53/63/41/557536341.db2.gz UPVXRZXAZJOAQF-YRXWBPOGSA-N 1 2 412.848 3.314 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408617414 557544142 /nfs/dbraw/zinc/54/41/42/557544142.db2.gz GLIDDQAAFSINNG-OAQYLSRUSA-N 1 2 410.499 3.070 40 0 HGABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000004885818 557609900 /nfs/dbraw/zinc/60/99/00/557609900.db2.gz BUKVTGGQIXTIFJ-AIFLQVKLSA-N 1 2 420.509 3.465 40 0 HGABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccccc2)CC1 ZINC000035290714 557676211 /nfs/dbraw/zinc/67/62/11/557676211.db2.gz PFAYLWYCLBPQQO-JOCHJYFZSA-N 1 2 420.561 3.344 40 0 HGABLO COc1cccc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1 ZINC000035315895 557691057 /nfs/dbraw/zinc/69/10/57/557691057.db2.gz DPVJLVOAQRPECM-PKOBYXMFSA-N 1 2 404.894 3.146 40 0 HGABLO COc1cccc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1 ZINC000035315895 557691059 /nfs/dbraw/zinc/69/10/59/557691059.db2.gz DPVJLVOAQRPECM-PKOBYXMFSA-N 1 2 404.894 3.146 40 0 HGABLO COc1cccc(-c2csc(N3CC[NH+](CC(=O)NCc4ccccc4)CC3)n2)c1 ZINC000036235016 557843242 /nfs/dbraw/zinc/84/32/42/557843242.db2.gz HEOLXQIMWAXQFR-UHFFFAOYSA-N 1 2 422.554 3.257 40 0 HGABLO CC1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019743400 558264036 /nfs/dbraw/zinc/26/40/36/558264036.db2.gz GXNJCNLCCAUALR-OAHLLOKOSA-N 1 2 424.471 3.344 40 0 HGABLO CC1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019743400 558264038 /nfs/dbraw/zinc/26/40/38/558264038.db2.gz GXNJCNLCCAUALR-OAHLLOKOSA-N 1 2 424.471 3.344 40 0 HGABLO COc1c(C)cccc1C[N@H+](C)Cc1cc(N(C)C)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019760335 558276194 /nfs/dbraw/zinc/27/61/94/558276194.db2.gz REBFBYQWKXKTBG-FQEVSTJZSA-N 1 2 411.550 3.175 40 0 HGABLO COc1c(C)cccc1C[N@@H+](C)Cc1cc(N(C)C)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019760335 558276197 /nfs/dbraw/zinc/27/61/97/558276197.db2.gz REBFBYQWKXKTBG-FQEVSTJZSA-N 1 2 411.550 3.175 40 0 HGABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000019819995 558290332 /nfs/dbraw/zinc/29/03/32/558290332.db2.gz LNTCNFKDGIKNDW-JTQLQIEISA-N 1 2 421.288 3.030 40 0 HGABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012118475 558329865 /nfs/dbraw/zinc/32/98/65/558329865.db2.gz FSTOFOSZYIPBKF-MRXNPFEDSA-N 1 2 411.531 3.306 40 0 HGABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012118475 558329866 /nfs/dbraw/zinc/32/98/66/558329866.db2.gz FSTOFOSZYIPBKF-MRXNPFEDSA-N 1 2 411.531 3.306 40 0 HGABLO Cc1cc2nc(C3CCN(C(=O)CCn4cc[nH+]c4)CC3)cc(C(F)(F)F)n2n1 ZINC000012221541 558356154 /nfs/dbraw/zinc/35/61/54/558356154.db2.gz ILPNVXHHORCEFV-UHFFFAOYSA-N 1 2 406.412 3.049 40 0 HGABLO O=C1C[C@@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000020437893 558363409 /nfs/dbraw/zinc/36/34/09/558363409.db2.gz TWNKKYYYHGMDOB-GOSISDBHSA-N 1 2 402.853 3.095 40 0 HGABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000020502288 558380996 /nfs/dbraw/zinc/38/09/96/558380996.db2.gz DNFVZNPHOQSYCX-IYWMVGAKSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000020502288 558380998 /nfs/dbraw/zinc/38/09/98/558380998.db2.gz DNFVZNPHOQSYCX-IYWMVGAKSA-N 1 2 408.885 3.484 40 0 HGABLO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000016739479 558803032 /nfs/dbraw/zinc/80/30/32/558803032.db2.gz YDKTUTATGPPYQA-FQEVSTJZSA-N 1 2 402.922 3.495 40 0 HGABLO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccnn2[C@H]2CCCCO2)o1 ZINC000019216446 558850415 /nfs/dbraw/zinc/85/04/15/558850415.db2.gz GIVGMLIVYGZOOQ-JOCHJYFZSA-N 1 2 402.539 3.208 40 0 HGABLO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccnn2[C@H]2CCCCO2)o1 ZINC000019216446 558850416 /nfs/dbraw/zinc/85/04/16/558850416.db2.gz GIVGMLIVYGZOOQ-JOCHJYFZSA-N 1 2 402.539 3.208 40 0 HGABLO Cc1ccccc1C1=NO[C@H](CC2(C(=O)NCCCn3cc[nH+]c3)CCOCC2)C1 ZINC000019236965 558856286 /nfs/dbraw/zinc/85/62/86/558856286.db2.gz HATZNPZWPDWHFH-IBGZPJMESA-N 1 2 410.518 3.078 40 0 HGABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccc(Cl)c2Cl)CC3)cn1 ZINC000019239079 558857752 /nfs/dbraw/zinc/85/77/52/558857752.db2.gz NGTVJFMAIUMXDA-UHFFFAOYSA-N 1 2 402.285 3.400 40 0 HGABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccc(Cl)c2Cl)CC3)cn1 ZINC000019239079 558857753 /nfs/dbraw/zinc/85/77/53/558857753.db2.gz NGTVJFMAIUMXDA-UHFFFAOYSA-N 1 2 402.285 3.400 40 0 HGABLO C[C@H](NC(=O)C[NH+]1CCN([C@@H](c2nccn2C)c2ccccc2)CC1)c1ccccc1 ZINC000019459471 558892980 /nfs/dbraw/zinc/89/29/80/558892980.db2.gz ZORJNFKYLPPABE-GBXCKJPGSA-N 1 2 417.557 3.005 40 0 HGABLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019462884 558894098 /nfs/dbraw/zinc/89/40/98/558894098.db2.gz YQJGKCSOWGUEQK-YJBOKZPZSA-N 1 2 423.561 3.098 40 0 HGABLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019462884 558894099 /nfs/dbraw/zinc/89/40/99/558894099.db2.gz YQJGKCSOWGUEQK-YJBOKZPZSA-N 1 2 423.561 3.098 40 0 HGABLO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(c3cccc[nH+]3)CC2)on1 ZINC000072342351 558940448 /nfs/dbraw/zinc/94/04/48/558940448.db2.gz DQMDNHIXBWWQRE-UHFFFAOYSA-N 1 2 406.490 3.056 40 0 HGABLO CC[C@@H](C(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1)[NH+]1CCOCC1 ZINC000072374357 558962009 /nfs/dbraw/zinc/96/20/09/558962009.db2.gz VDNGANSQENJPCF-QFIPXVFZSA-N 1 2 423.561 3.345 40 0 HGABLO Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)ncn3C2CC2)[NH+]2CCOCC2)cc1 ZINC000019714303 558974196 /nfs/dbraw/zinc/97/41/96/558974196.db2.gz MABLQCKCVIJMOL-HSZRJFAPSA-N 1 2 404.514 3.483 40 0 HGABLO COc1ccc(C)cc1N1C[C@H](C(=O)NCCc2[nH]c3cc(C)c(C)cc3[nH+]2)CC1=O ZINC000019715170 558975687 /nfs/dbraw/zinc/97/56/87/558975687.db2.gz HSRSIMLVAINRRI-QGZVFWFLSA-N 1 2 420.513 3.209 40 0 HGABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)c1 ZINC000585111076 559031576 /nfs/dbraw/zinc/03/15/76/559031576.db2.gz CFJNPTIUROGBTP-UHFFFAOYSA-N 1 2 404.514 3.461 40 0 HGABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)c1 ZINC000585111344 559031968 /nfs/dbraw/zinc/03/19/68/559031968.db2.gz PKDDWUGAMGEZCI-UHFFFAOYSA-N 1 2 417.513 3.273 40 0 HGABLO C[NH+]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCCC5)ccc43)s2)CC1 ZINC000096154621 559099130 /nfs/dbraw/zinc/09/91/30/559099130.db2.gz NMJXQFQDFQQLLQ-UHFFFAOYSA-N 1 2 411.531 3.329 40 0 HGABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)cc2c1 ZINC000000907660 560545765 /nfs/dbraw/zinc/54/57/65/560545765.db2.gz QCYONIKXGLCGJD-NRFANRHFSA-N 1 2 418.476 3.196 40 0 HGABLO O=C(C[NH+]1CCC(n2nnc3ccccc32)CC1)Nc1ccccc1Br ZINC000004489319 560606286 /nfs/dbraw/zinc/60/62/86/560606286.db2.gz GWUZZZQKVBQEKV-UHFFFAOYSA-N 1 2 414.307 3.469 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000005027678 560623884 /nfs/dbraw/zinc/62/38/84/560623884.db2.gz BTBICLRWHCIVCB-UHFFFAOYSA-N 1 2 404.352 3.025 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000100420985 560724616 /nfs/dbraw/zinc/72/46/16/560724616.db2.gz GDKMBQIZOMERJG-DLRJPAPCSA-N 1 2 416.474 3.049 40 0 HGABLO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)c4ccc(Cl)cc4)[N@H+]4CCC[C@@H]4[C@H]3C2=O)cc1 ZINC000169294135 560762920 /nfs/dbraw/zinc/76/29/20/560762920.db2.gz DNFVZNPHOQSYCX-UAFMIMERSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)c4ccc(Cl)cc4)[N@@H+]4CCC[C@@H]4[C@H]3C2=O)cc1 ZINC000169294135 560762921 /nfs/dbraw/zinc/76/29/21/560762921.db2.gz DNFVZNPHOQSYCX-UAFMIMERSA-N 1 2 408.885 3.484 40 0 HGABLO COc1cccc([C@]2(O)CCC[C@H]3CN(C(=O)c4ccc(Cn5cc[nH+]c5)o4)C[C@@H]32)c1 ZINC000019565039 560874301 /nfs/dbraw/zinc/87/43/01/560874301.db2.gz PUOVVUAOMKNVBT-CODAWKSHSA-N 1 2 421.497 3.293 40 0 HGABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019529697 560874999 /nfs/dbraw/zinc/87/49/99/560874999.db2.gz KIGAHMOFTZZRJP-CMCWBKRRSA-N 1 2 406.482 3.075 40 0 HGABLO NC(=O)C1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000057669518 568494440 /nfs/dbraw/zinc/49/44/40/568494440.db2.gz MCNQALHYXJINQS-GOSISDBHSA-N 1 2 402.930 3.118 40 0 HGABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670283 568494565 /nfs/dbraw/zinc/49/45/65/568494565.db2.gz CRVHXDDCXYMEDM-RBUKOAKNSA-N 1 2 418.973 3.477 40 0 HGABLO CC(C)[C@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671558 568495240 /nfs/dbraw/zinc/49/52/40/568495240.db2.gz SCYSTUUKYYYKMI-LJQANCHMSA-N 1 2 400.527 3.441 40 0 HGABLO COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000025854917 568534336 /nfs/dbraw/zinc/53/43/36/568534336.db2.gz RVJMLFZTSUXYKM-UHFFFAOYSA-N 1 2 411.889 3.225 40 0 HGABLO CCOC(=O)C1=C(C[NH2+]Cc2ccccc2Cl)NC(=O)N[C@@H]1c1cccs1 ZINC000026441452 568549574 /nfs/dbraw/zinc/54/95/74/568549574.db2.gz LMKNTLOPMMVCQD-QGZVFWFLSA-N 1 2 405.907 3.362 40 0 HGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 ZINC000257205780 568777613 /nfs/dbraw/zinc/77/76/13/568777613.db2.gz BANNWTUBJLIXGU-NRFANRHFSA-N 1 2 422.460 3.152 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](OC)[C@@]4(CCCO4)C3)n2)cc1 ZINC000257222510 568782718 /nfs/dbraw/zinc/78/27/18/568782718.db2.gz DTODUGWAHJJULW-GHTZIAJQSA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](OC)[C@@]4(CCCO4)C3)n2)cc1 ZINC000257222510 568782720 /nfs/dbraw/zinc/78/27/20/568782720.db2.gz DTODUGWAHJJULW-GHTZIAJQSA-N 1 2 417.531 3.027 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@@]12CCCO2 ZINC000257238043 568787032 /nfs/dbraw/zinc/78/70/32/568787032.db2.gz HJIXAHIEYIXQGH-UWJYYQICSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@@]12CCCO2 ZINC000257238043 568787035 /nfs/dbraw/zinc/78/70/35/568787035.db2.gz HJIXAHIEYIXQGH-UWJYYQICSA-N 1 2 419.522 3.466 40 0 HGABLO Cc1c(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cnn1C ZINC000257240321 568787745 /nfs/dbraw/zinc/78/77/45/568787745.db2.gz HSZRICQTLWGDFK-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1c(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cnn1C ZINC000257240321 568787747 /nfs/dbraw/zinc/78/77/47/568787747.db2.gz HSZRICQTLWGDFK-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cnc(N(C)C)nc4)CCO3)n2)cc1 ZINC000257282497 568799101 /nfs/dbraw/zinc/79/91/01/568799101.db2.gz OTYNKRITROUDIL-QFIPXVFZSA-N 1 2 405.502 3.187 40 0 HGABLO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cnc(N(C)C)nc4)CCO3)n2)cc1 ZINC000257282497 568799102 /nfs/dbraw/zinc/79/91/02/568799102.db2.gz OTYNKRITROUDIL-QFIPXVFZSA-N 1 2 405.502 3.187 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257307495 568806637 /nfs/dbraw/zinc/80/66/37/568806637.db2.gz SYWKLKFGIBGHMQ-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257307495 568806640 /nfs/dbraw/zinc/80/66/40/568806640.db2.gz SYWKLKFGIBGHMQ-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1cc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4cccs4)n23)c(C)o1 ZINC000306125084 568887970 /nfs/dbraw/zinc/88/79/70/568887970.db2.gz CGLBVABDBNPUTE-UHFFFAOYSA-N 1 2 411.531 3.293 40 0 HGABLO Cc1cc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4cccs4)n23)c(C)o1 ZINC000306125084 568887973 /nfs/dbraw/zinc/88/79/73/568887973.db2.gz CGLBVABDBNPUTE-UHFFFAOYSA-N 1 2 411.531 3.293 40 0 HGABLO C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)Cc3cccs3)CC2)C1 ZINC000306128761 568891448 /nfs/dbraw/zinc/89/14/48/568891448.db2.gz HJXIVOLYMRKXME-UHFFFAOYSA-N 1 2 413.572 3.074 40 0 HGABLO C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)Cc3cccs3)CC2)C1 ZINC000306128761 568891449 /nfs/dbraw/zinc/89/14/49/568891449.db2.gz HJXIVOLYMRKXME-UHFFFAOYSA-N 1 2 413.572 3.074 40 0 HGABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccnc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306132549 568894861 /nfs/dbraw/zinc/89/48/61/568894861.db2.gz LLWIMPATQDIXAK-UHFFFAOYSA-N 1 2 410.566 3.198 40 0 HGABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccnc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306132549 568894864 /nfs/dbraw/zinc/89/48/64/568894864.db2.gz LLWIMPATQDIXAK-UHFFFAOYSA-N 1 2 410.566 3.198 40 0 HGABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1cccnc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306132549 568894866 /nfs/dbraw/zinc/89/48/66/568894866.db2.gz LLWIMPATQDIXAK-UHFFFAOYSA-N 1 2 410.566 3.198 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccc(Cl)cc4)C[C@H]2S3(=O)=O)cn1 ZINC000306140461 568902334 /nfs/dbraw/zinc/90/23/34/568902334.db2.gz UUIWNSXPINNJPF-PZJWPPBQSA-N 1 2 413.930 3.496 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]2S3(=O)=O)cn1 ZINC000306140461 568902337 /nfs/dbraw/zinc/90/23/37/568902337.db2.gz UUIWNSXPINNJPF-PZJWPPBQSA-N 1 2 413.930 3.496 40 0 HGABLO CCNc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328982527 568971255 /nfs/dbraw/zinc/97/12/55/568971255.db2.gz HBFUMUABTOJVFM-UHFFFAOYSA-N 1 2 403.408 3.367 40 0 HGABLO C[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329008464 568972402 /nfs/dbraw/zinc/97/24/02/568972402.db2.gz LQRLFEFCGWSINK-CQSZACIVSA-N 1 2 413.319 3.155 40 0 HGABLO O=C(C[NH+]1CCCC1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019704984 569347840 /nfs/dbraw/zinc/34/78/40/569347840.db2.gz ZHMPCMUBQOVVKS-QGZVFWFLSA-N 1 2 422.508 3.121 40 0 HGABLO O=C(C[N@H+]1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)NC1CCCCC1 ZINC000019738946 569348671 /nfs/dbraw/zinc/34/86/71/569348671.db2.gz GVVKIYPGIWDSOI-INIZCTEOSA-N 1 2 400.498 3.366 40 0 HGABLO O=C(C[N@@H+]1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)NC1CCCCC1 ZINC000019738946 569348672 /nfs/dbraw/zinc/34/86/72/569348672.db2.gz GVVKIYPGIWDSOI-INIZCTEOSA-N 1 2 400.498 3.366 40 0 HGABLO COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[N@H+](C)C2 ZINC000033872391 569351465 /nfs/dbraw/zinc/35/14/65/569351465.db2.gz POZDBQXYFOKUEY-VOTSOKGWSA-N 1 2 401.444 3.083 40 0 HGABLO COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[N@@H+](C)C2 ZINC000033872391 569351466 /nfs/dbraw/zinc/35/14/66/569351466.db2.gz POZDBQXYFOKUEY-VOTSOKGWSA-N 1 2 401.444 3.083 40 0 HGABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000015674714 291239445 /nfs/dbraw/zinc/23/94/45/291239445.db2.gz IQAZUAFDGSQWQW-QUCCMNQESA-N 1 2 408.458 3.012 40 0 biogenic,in-vitro HGABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000015674714 291239446 /nfs/dbraw/zinc/23/94/46/291239446.db2.gz IQAZUAFDGSQWQW-QUCCMNQESA-N 1 2 408.458 3.012 40 0 biogenic,in-vitro HGABLO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674472 291245946 /nfs/dbraw/zinc/24/59/46/291245946.db2.gz ZEKSPCOCHNQQFJ-ZBFHGGJFSA-N 1 2 406.364 3.338 40 0 biogenic,in-vitro HGABLO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674472 291245947 /nfs/dbraw/zinc/24/59/47/291245947.db2.gz ZEKSPCOCHNQQFJ-ZBFHGGJFSA-N 1 2 406.364 3.338 40 0 biogenic,in-vitro HGABLO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000044902080 524248774 /nfs/dbraw/zinc/24/87/74/524248774.db2.gz PHDSPKMSCUKTHH-IBGZPJMESA-N 1 2 410.514 3.452 40 0 HGABLO Cc1nn2c(nnc3c(=O)n(CCc4c[nH+]c[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396014 526314228 /nfs/dbraw/zinc/31/42/28/526314228.db2.gz XCGQEOSCGRIKAL-UHFFFAOYSA-N 1 2 405.849 3.034 40 0 HGABLO Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c[nH+]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396014 526314234 /nfs/dbraw/zinc/31/42/34/526314234.db2.gz XCGQEOSCGRIKAL-UHFFFAOYSA-N 1 2 405.849 3.034 40 0 HGABLO O=C(c1cnn2c1nccc2-c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000048986008 526891462 /nfs/dbraw/zinc/89/14/62/526891462.db2.gz IEMFREVEDPCVTG-UHFFFAOYSA-N 1 2 418.888 3.407 40 0 HGABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035291460 557678755 /nfs/dbraw/zinc/67/87/55/557678755.db2.gz DLOHUQLFLSYEHQ-RTBURBONSA-N 1 2 404.946 3.169 40 0 HGABLO COc1cccc([C@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)c1 ZINC000019960505 558315536 /nfs/dbraw/zinc/31/55/36/558315536.db2.gz CDXZCTZUIYUUNE-NRFANRHFSA-N 1 2 414.469 3.381 40 0 HGABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCC[C@@H](c2ccccc2)C1 ZINC000012145788 558337156 /nfs/dbraw/zinc/33/71/56/558337156.db2.gz HOYUUIKZMYMSLI-HXUWFJFHSA-N 1 2 419.525 3.007 40 0 HGABLO CNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020503116 558380928 /nfs/dbraw/zinc/38/09/28/558380928.db2.gz FLSISTUAZWSRGE-GOSISDBHSA-N 1 2 417.513 3.346 40 0 HGABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1Cl ZINC000020674059 558399074 /nfs/dbraw/zinc/39/90/74/558399074.db2.gz BOZBHZMAKUXJQM-CYBMUJFWSA-N 1 2 414.897 3.075 40 0 HGABLO COc1nc2cc(C)ccc2cc1C[N@@H+]1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000012666362 558445149 /nfs/dbraw/zinc/44/51/49/558445149.db2.gz ALHZHDAQEHLSDI-UHFFFAOYSA-N 1 2 413.481 3.255 40 0 HGABLO COc1nc2cc(C)ccc2cc1C[N@H+]1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000012666362 558445151 /nfs/dbraw/zinc/44/51/51/558445151.db2.gz ALHZHDAQEHLSDI-UHFFFAOYSA-N 1 2 413.481 3.255 40 0 HGABLO Cn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)c2cc(F)ccc21 ZINC000022236535 558470697 /nfs/dbraw/zinc/47/06/97/558470697.db2.gz FBEIOTZEKDTDIM-VMPITWQZSA-N 1 2 405.473 3.149 40 0 HGABLO O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030942403 558745663 /nfs/dbraw/zinc/74/56/63/558745663.db2.gz AXUOKZQKGVOLCE-IBGZPJMESA-N 1 2 404.470 3.093 40 0 HGABLO C[C@@]1(C[NH+]2CCOCC2)COc2c(Br)cc(Br)cc2C1=O ZINC000016578159 558796269 /nfs/dbraw/zinc/79/62/69/558796269.db2.gz SHIQWDKVCDDWOV-OAHLLOKOSA-N 1 2 419.113 3.125 40 0 HGABLO COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 ZINC000019079062 558838781 /nfs/dbraw/zinc/83/87/81/558838781.db2.gz XDNJWNOFZUCUIB-CVDCTZTESA-N 1 2 404.514 3.387 40 0 HGABLO Cc1ccccc1-c1ncc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cn1 ZINC000019237539 558856798 /nfs/dbraw/zinc/85/67/98/558856798.db2.gz JLFVCAHAMYSPCK-VXMMSVGHSA-N 1 2 403.530 3.305 40 0 HGABLO Cc1ccccc1-c1ncc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cn1 ZINC000019237539 558856800 /nfs/dbraw/zinc/85/68/00/558856800.db2.gz JLFVCAHAMYSPCK-VXMMSVGHSA-N 1 2 403.530 3.305 40 0 HGABLO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240383 558858835 /nfs/dbraw/zinc/85/88/35/558858835.db2.gz MHMWHZHZKINPRQ-SJKOYZFVSA-N 1 2 400.552 3.263 40 0 HGABLO OCC[NH2+][C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 ZINC000019341271 558871775 /nfs/dbraw/zinc/87/17/75/558871775.db2.gz YTTKYQLLBYMWCU-LJQANCHMSA-N 1 2 420.473 3.135 40 0 HGABLO C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019462888 558894138 /nfs/dbraw/zinc/89/41/38/558894138.db2.gz YQJGKCSOWGUEQK-MAUKXSAKSA-N 1 2 423.561 3.098 40 0 HGABLO C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019462888 558894139 /nfs/dbraw/zinc/89/41/39/558894139.db2.gz YQJGKCSOWGUEQK-MAUKXSAKSA-N 1 2 423.561 3.098 40 0 HGABLO Cc1ccnc(-n2cccc2C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)c1 ZINC000072335631 558936679 /nfs/dbraw/zinc/93/66/79/558936679.db2.gz GNAZTAOUNDEVMZ-SFHVURJKSA-N 1 2 418.545 3.059 40 0 HGABLO Cc1ccnc(-n2cccc2C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)c1 ZINC000072335631 558936683 /nfs/dbraw/zinc/93/66/83/558936683.db2.gz GNAZTAOUNDEVMZ-SFHVURJKSA-N 1 2 418.545 3.059 40 0 HGABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 ZINC000072355322 558952581 /nfs/dbraw/zinc/95/25/81/558952581.db2.gz IHYJWSIBWOCCNJ-UHFFFAOYSA-N 1 2 405.502 3.182 40 0 HGABLO C[C@@H](CCc1ccc(F)cc1)Nc1cc(Cn2c3ccccc3n(C)c2=O)[nH+]c(N)n1 ZINC000072373297 558961080 /nfs/dbraw/zinc/96/10/80/558961080.db2.gz YSWRQCWXRUONNO-HNNXBMFYSA-N 1 2 420.492 3.333 40 0 HGABLO CC[C@@H](C(=O)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1)[NH+]1CCOCC1 ZINC000072374355 558961967 /nfs/dbraw/zinc/96/19/67/558961967.db2.gz XJOZVQFKMMZQTK-NRFANRHFSA-N 1 2 409.534 3.037 40 0 HGABLO Cc1nc(NC(=O)C[N@H+]2CC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)sc1C ZINC000072374656 558962506 /nfs/dbraw/zinc/96/25/06/558962506.db2.gz XDWLGMGETUDQBZ-INIZCTEOSA-N 1 2 410.547 3.292 40 0 HGABLO Cc1nc(NC(=O)C[N@@H+]2CC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)sc1C ZINC000072374656 558962507 /nfs/dbraw/zinc/96/25/07/558962507.db2.gz XDWLGMGETUDQBZ-INIZCTEOSA-N 1 2 410.547 3.292 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000072376868 558966090 /nfs/dbraw/zinc/96/60/90/558966090.db2.gz WFGUHNFPMZVSEJ-MRXNPFEDSA-N 1 2 412.494 3.487 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000072376868 558966092 /nfs/dbraw/zinc/96/60/92/558966092.db2.gz WFGUHNFPMZVSEJ-MRXNPFEDSA-N 1 2 412.494 3.487 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000072376867 558966119 /nfs/dbraw/zinc/96/61/19/558966119.db2.gz WFGUHNFPMZVSEJ-INIZCTEOSA-N 1 2 412.494 3.487 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000072376867 558966121 /nfs/dbraw/zinc/96/61/21/558966121.db2.gz WFGUHNFPMZVSEJ-INIZCTEOSA-N 1 2 412.494 3.487 40 0 HGABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000019718462 558981850 /nfs/dbraw/zinc/98/18/50/558981850.db2.gz GELTUNKEZNZLEZ-OAHLLOKOSA-N 1 2 414.531 3.357 40 0 HGABLO Cn1c[nH+]c([C@@H]2C[C@]3(CN2C(=O)c2cccc(F)c2)CCCN(CC2CC2)C3=O)c1 ZINC000585106425 559028828 /nfs/dbraw/zinc/02/88/28/559028828.db2.gz FPPYNMLGBJTDKF-REWPJTCUSA-N 1 2 410.493 3.165 40 0 HGABLO Cc1ccc(CC(=O)N2C[C@]3(C[C@H]2c2cn(C)c[nH+]2)CCCN(CC2CC2)C3=O)cc1 ZINC000585106493 559028835 /nfs/dbraw/zinc/02/88/35/559028835.db2.gz VZEWFIMWZYXMHE-WIOPSUGQSA-N 1 2 420.557 3.263 40 0 HGABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc4c(c2)OCO4)CC3)c1 ZINC000585111194 559031681 /nfs/dbraw/zinc/03/16/81/559031681.db2.gz INECDYAEPLTNHI-UHFFFAOYSA-N 1 2 405.454 3.124 40 0 HGABLO Cc1ccc(CNC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2C(=O)c2ccccc2)o1 ZINC000096147279 559098390 /nfs/dbraw/zinc/09/83/90/559098390.db2.gz IXEMBZWLGISLDH-OAQYLSRUSA-N 1 2 406.486 3.421 40 0 HGABLO [NH3+][C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ncccn3)n2)CC1)c1ccccc1 ZINC000100708856 559138162 /nfs/dbraw/zinc/13/81/62/559138162.db2.gz NMJOVTIISUQYDJ-FUHIMQAGSA-N 1 2 417.517 3.100 40 0 HGABLO COc1ccc(OC)c(C[N@@H+]2CCNC(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1 ZINC000072351657 559185560 /nfs/dbraw/zinc/18/55/60/559185560.db2.gz MXCONAMRUHUOCU-QHCPKHFHSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(OC)c(C[N@H+]2CCNC(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1 ZINC000072351657 559185562 /nfs/dbraw/zinc/18/55/62/559185562.db2.gz MXCONAMRUHUOCU-QHCPKHFHSA-N 1 2 417.509 3.309 40 0 HGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)[NH+]3CCCCC3)cc2c1 ZINC000004234460 560603111 /nfs/dbraw/zinc/60/31/11/560603111.db2.gz DCMLFNULEXXCOY-OAQYLSRUSA-N 1 2 418.501 3.294 40 0 HGABLO C[NH+]1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)CC1 ZINC000013425315 560811379 /nfs/dbraw/zinc/81/13/79/560811379.db2.gz XEDVPLMITGLILP-UHFFFAOYSA-N 1 2 422.476 3.127 40 0 HGABLO CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019446071 560873062 /nfs/dbraw/zinc/87/30/62/560873062.db2.gz ZFRVUDFTTJNEDE-FQEVSTJZSA-N 1 2 414.941 3.483 40 0 HGABLO CCC[C@H](c1nnnn1C(C)(C)CC)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019501856 560873672 /nfs/dbraw/zinc/87/36/72/560873672.db2.gz KWKZPIBIJQHZMP-GOSISDBHSA-N 1 2 414.554 3.206 40 0 HGABLO C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CC[NH+](C)CC1 ZINC000019894395 560876864 /nfs/dbraw/zinc/87/68/64/560876864.db2.gz CPWBSRYUSKZUPH-ZDUSSCGKSA-N 1 2 410.465 3.417 40 0 HGABLO CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(C)cc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000005321575 568443157 /nfs/dbraw/zinc/44/31/57/568443157.db2.gz ONUBWOOSJJPPIG-KJJMTIBFSA-N 1 2 402.494 3.393 40 0 HGABLO CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(C)cc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000005321575 568443158 /nfs/dbraw/zinc/44/31/58/568443158.db2.gz ONUBWOOSJJPPIG-KJJMTIBFSA-N 1 2 402.494 3.393 40 0 HGABLO Cn1cc[nH+]c1CN1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000604383122 568489660 /nfs/dbraw/zinc/48/96/60/568489660.db2.gz NCJZRRFDSZSIKW-IRFCIJBXSA-N 1 2 404.580 3.101 40 0 biogenic,in-vitro HGABLO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057670821 568494914 /nfs/dbraw/zinc/49/49/14/568494914.db2.gz UZURYGOXPGLNRO-NRFANRHFSA-N 1 2 410.497 3.085 40 0 HGABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CCC[NH+]1CCOCC1 ZINC000223168402 568539910 /nfs/dbraw/zinc/53/99/10/568539910.db2.gz AGPJBCYIJMZNCQ-QZTJIDSGSA-N 1 2 423.007 3.491 40 0 HGABLO O=C(COc1ccc2c(c1)CCCC2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224991313 568607690 /nfs/dbraw/zinc/60/76/90/568607690.db2.gz URLWWKCGBWACFU-UHFFFAOYSA-N 1 2 408.498 3.017 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@]12CCCO2 ZINC000257229933 568784885 /nfs/dbraw/zinc/78/48/85/568784885.db2.gz GABWMHINMSGXNI-GHTZIAJQSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@]12CCCO2 ZINC000257229933 568784887 /nfs/dbraw/zinc/78/48/87/568784887.db2.gz GABWMHINMSGXNI-GHTZIAJQSA-N 1 2 419.522 3.081 40 0 HGABLO Cc1nonc1COc1ccccc1C(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257241526 568787848 /nfs/dbraw/zinc/78/78/48/568787848.db2.gz HYILFTSSOJZRRA-SFHVURJKSA-N 1 2 421.501 3.438 40 0 HGABLO Cc1nonc1COc1ccccc1C(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257241525 568787927 /nfs/dbraw/zinc/78/79/27/568787927.db2.gz HYILFTSSOJZRRA-GOSISDBHSA-N 1 2 421.501 3.438 40 0 HGABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3n[nH]c4ccccc43)CC2)n1C ZINC000257301944 568804877 /nfs/dbraw/zinc/80/48/77/568804877.db2.gz SARSXGIAMZHPOE-UHFFFAOYSA-N 1 2 401.474 3.082 40 0 HGABLO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccccn1 ZINC000257307308 568806659 /nfs/dbraw/zinc/80/66/59/568806659.db2.gz SYDBJEFGGODYLU-HXUWFJFHSA-N 1 2 404.514 3.498 40 0 HGABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccccn1 ZINC000257307308 568806661 /nfs/dbraw/zinc/80/66/61/568806661.db2.gz SYDBJEFGGODYLU-HXUWFJFHSA-N 1 2 404.514 3.498 40 0 HGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n1 ZINC000257324835 568811839 /nfs/dbraw/zinc/81/18/39/568811839.db2.gz WQKDQSAZNGJKNT-JOCHJYFZSA-N 1 2 423.561 3.199 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(CN(Cc4c[nH+]c(C)[nH]4)CC(F)(F)C3)C2=O)c1 ZINC000306128385 568891236 /nfs/dbraw/zinc/89/12/36/568891236.db2.gz GZAVYJLTZBWRFV-OAQYLSRUSA-N 1 2 418.488 3.377 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(CN(Cc4c[nH]c(C)[nH+]4)CC(F)(F)C3)C2=O)c1 ZINC000306128385 568891237 /nfs/dbraw/zinc/89/12/37/568891237.db2.gz GZAVYJLTZBWRFV-OAQYLSRUSA-N 1 2 418.488 3.377 40 0 HGABLO CC(C)CC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000306129272 568891902 /nfs/dbraw/zinc/89/19/02/568891902.db2.gz HZCUCEYLVHKSJJ-YKSBVNFPSA-N 1 2 423.561 3.250 40 0 HGABLO C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000306131987 568894214 /nfs/dbraw/zinc/89/42/14/568894214.db2.gz KVAGUJULONRHOS-UHFFFAOYSA-N 1 2 411.506 3.223 40 0 HGABLO C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000306131987 568894216 /nfs/dbraw/zinc/89/42/16/568894216.db2.gz KVAGUJULONRHOS-UHFFFAOYSA-N 1 2 411.506 3.223 40 0 HGABLO COc1cccc(CN2CCC[C@]3(C[N@H+](Cc4cc(C)n[nH]4)CC(F)(F)C3)C2=O)c1 ZINC000306140005 568901971 /nfs/dbraw/zinc/90/19/71/568901971.db2.gz UGRFAZIKYVYWJC-NRFANRHFSA-N 1 2 418.488 3.377 40 0 HGABLO COc1cccc(CN2CCC[C@]3(C[N@@H+](Cc4cc(C)n[nH]4)CC(F)(F)C3)C2=O)c1 ZINC000306140005 568901972 /nfs/dbraw/zinc/90/19/72/568901972.db2.gz UGRFAZIKYVYWJC-NRFANRHFSA-N 1 2 418.488 3.377 40 0 HGABLO Cc1nc(Cn2cc[nH+]c2[C@H]2CN(C(=O)c3cnccn3)Cc3ccccc32)cs1 ZINC000306140364 568902141 /nfs/dbraw/zinc/90/21/41/568902141.db2.gz UREWXBRKBRXWPF-IBGZPJMESA-N 1 2 416.510 3.274 40 0 HGABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306140394 568902243 /nfs/dbraw/zinc/90/22/43/568902243.db2.gz USEGVXDPURBOES-UNMCSNQZSA-N 1 2 411.502 3.464 40 0 HGABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306140394 568902246 /nfs/dbraw/zinc/90/22/46/568902246.db2.gz USEGVXDPURBOES-UNMCSNQZSA-N 1 2 411.502 3.464 40 0 HGABLO C[C@@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328979557 568970942 /nfs/dbraw/zinc/97/09/42/568970942.db2.gz GGBCDGUCQMMAPV-LBPRGKRZSA-N 1 2 417.282 3.425 40 0 HGABLO OCCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329060214 568975115 /nfs/dbraw/zinc/97/51/15/568975115.db2.gz WKHNWWNTTCOUJY-UHFFFAOYSA-N 1 2 403.255 3.037 40 0 HGABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)cc2c1 ZINC000000782696 569048800 /nfs/dbraw/zinc/04/88/00/569048800.db2.gz XHOMJLJCIOAPED-LJQANCHMSA-N 1 2 410.522 3.244 40 0 HGABLO Cc1ccnc(-n2cccc2C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)c1 ZINC000012088717 569344530 /nfs/dbraw/zinc/34/45/30/569344530.db2.gz GNAZTAOUNDEVMZ-GOSISDBHSA-N 1 2 418.545 3.059 40 0 HGABLO Cc1ccnc(-n2cccc2C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)c1 ZINC000012088717 569344531 /nfs/dbraw/zinc/34/45/31/569344531.db2.gz GNAZTAOUNDEVMZ-GOSISDBHSA-N 1 2 418.545 3.059 40 0 HGABLO COc1ccc(OC)c(Cc2ccc([C@@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)nc2)c1 ZINC000019692630 569346091 /nfs/dbraw/zinc/34/60/91/569346091.db2.gz LWYMDTXYQHBTDP-DEOSSOPVSA-N 1 2 422.529 3.305 40 0 HGABLO COc1ccc(OC)c(Cc2ccc([C@@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)nc2)c1 ZINC000019692630 569346092 /nfs/dbraw/zinc/34/60/92/569346092.db2.gz LWYMDTXYQHBTDP-DEOSSOPVSA-N 1 2 422.529 3.305 40 0 HGABLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692663 569346182 /nfs/dbraw/zinc/34/61/82/569346182.db2.gz KMJGMLAXNOSYRG-OJHVLRHSSA-N 1 2 416.529 3.476 40 0 HGABLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692663 569346183 /nfs/dbraw/zinc/34/61/83/569346183.db2.gz KMJGMLAXNOSYRG-OJHVLRHSSA-N 1 2 416.529 3.476 40 0 HGABLO COc1ccc(NC(=O)c2cnc(C3CC[NH+](Cc4ncc[nH]4)CC3)nc2C)cc1 ZINC000019764207 569348977 /nfs/dbraw/zinc/34/89/77/569348977.db2.gz IVSYLUQODZZAPG-UHFFFAOYSA-N 1 2 406.490 3.149 40 0 HGABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccnc1 ZINC000261362497 569413436 /nfs/dbraw/zinc/41/34/36/569413436.db2.gz DLGMKPLHYLJRRL-FQEVSTJZSA-O 1 2 408.507 3.337 40 0 HGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(OC)cc1 ZINC000261363013 569413621 /nfs/dbraw/zinc/41/36/21/569413621.db2.gz FQKHFHRJXYUJGE-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000019700905 569428710 /nfs/dbraw/zinc/42/87/10/569428710.db2.gz KVVIRHRSKQCORD-RUZDIDTESA-N 1 2 419.500 3.351 40 0 HGABLO O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000019700905 569428711 /nfs/dbraw/zinc/42/87/11/569428711.db2.gz KVVIRHRSKQCORD-RUZDIDTESA-N 1 2 419.500 3.351 40 0 HGABLO O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)C[N@H+](Cc2ccccc2F)CCO1 ZINC000019700903 569428745 /nfs/dbraw/zinc/42/87/45/569428745.db2.gz MEHYRJMTGLOPBA-RUZDIDTESA-N 1 2 419.500 3.351 40 0 HGABLO O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)C[N@@H+](Cc2ccccc2F)CCO1 ZINC000019700903 569428746 /nfs/dbraw/zinc/42/87/46/569428746.db2.gz MEHYRJMTGLOPBA-RUZDIDTESA-N 1 2 419.500 3.351 40 0 HGABLO Cc1cccc(C2(C(=O)N3CCC[C@@](C)(c4cc(N)nc(C)[nH+]4)C3)CCOCC2)c1 ZINC000585261904 571310853 /nfs/dbraw/zinc/31/08/53/571310853.db2.gz OZXXTRCDFDPVDE-HSZRJFAPSA-N 1 2 408.546 3.304 40 0 HGABLO CC(C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707314 291233079 /nfs/dbraw/zinc/23/30/79/291233079.db2.gz HALVGEPXWPMBOJ-HNNXBMFYSA-N 1 2 404.833 3.470 40 0 biogenic,in-vitro HGABLO CC(C)NC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707314 291233081 /nfs/dbraw/zinc/23/30/81/291233081.db2.gz HALVGEPXWPMBOJ-HNNXBMFYSA-N 1 2 404.833 3.470 40 0 biogenic,in-vitro HGABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)OCO4)n2)ccn1 ZINC000035424799 291237117 /nfs/dbraw/zinc/23/71/17/291237117.db2.gz RMZBZSIPFRNZQW-KRWDZBQOSA-N 1 2 424.457 3.223 40 0 biogenic,in-vitro HGABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)OCO4)n2)ccn1 ZINC000035424799 291237121 /nfs/dbraw/zinc/23/71/21/291237121.db2.gz RMZBZSIPFRNZQW-KRWDZBQOSA-N 1 2 424.457 3.223 40 0 biogenic,in-vitro HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245229806 521303816 /nfs/dbraw/zinc/30/38/16/521303816.db2.gz GDKMBQIZOMERJG-OPOADAIRSA-N 1 2 416.474 3.049 40 0 HGABLO CCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035290733 557676285 /nfs/dbraw/zinc/67/62/85/557676285.db2.gz YGAKMUNXIZNJOQ-QGZVFWFLSA-N 1 2 412.460 3.002 40 0 HGABLO COc1cc(C)ccc1OCCn1c[nH+]cc1-c1cc2c(cc1C)n(C)c(=O)n2C ZINC000019719976 558258683 /nfs/dbraw/zinc/25/86/83/558258683.db2.gz QMJPYFYIUDUOSA-UHFFFAOYSA-N 1 2 406.486 3.445 40 0 HGABLO O=C(C[C@@H]1C=CCC1)N1CCC(c2ccc3c(NCc4[nH]cc[nH+]4)n[nH]c3n2)CC1 ZINC000019745166 558265741 /nfs/dbraw/zinc/26/57/41/558265741.db2.gz WVZYCSMNRACQPQ-OAHLLOKOSA-N 1 2 405.506 3.355 40 0 HGABLO COc1nc2cc(C)ccc2cc1C[N@@H+]1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000012120762 558330582 /nfs/dbraw/zinc/33/05/82/558330582.db2.gz VIKFUCCMLDJXDP-UHFFFAOYSA-N 1 2 413.481 3.255 40 0 HGABLO COc1nc2cc(C)ccc2cc1C[N@H+]1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000012120762 558330584 /nfs/dbraw/zinc/33/05/84/558330584.db2.gz VIKFUCCMLDJXDP-UHFFFAOYSA-N 1 2 413.481 3.255 40 0 HGABLO O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022418561 558488616 /nfs/dbraw/zinc/48/86/16/558488616.db2.gz IULTVRZJFNQDFK-UHFFFAOYSA-N 1 2 403.935 3.228 40 0 HGABLO CNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000024755135 558610254 /nfs/dbraw/zinc/61/02/54/558610254.db2.gz JSOGDPLEGWEVBY-SFHVURJKSA-N 1 2 414.513 3.153 40 0 HGABLO C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019079092 558838772 /nfs/dbraw/zinc/83/87/72/558838772.db2.gz UZIBAIJZACQJMX-AVRDEDQJSA-N 1 2 422.504 3.260 40 0 HGABLO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)c1 ZINC000019235235 558854399 /nfs/dbraw/zinc/85/43/99/558854399.db2.gz YCJXNOPUMBRSFC-DNVJHFABSA-N 1 2 420.557 3.225 40 0 HGABLO Cc1nc(C)n(C[C@H](C)C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)n1 ZINC000019285969 558860204 /nfs/dbraw/zinc/86/02/04/558860204.db2.gz LIFFDAPRVVJXRK-AWEZNQCLSA-N 1 2 410.547 3.185 40 0 HGABLO Cc1nc(C)n(C[C@H](C)C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)n1 ZINC000019285969 558860205 /nfs/dbraw/zinc/86/02/05/558860205.db2.gz LIFFDAPRVVJXRK-AWEZNQCLSA-N 1 2 410.547 3.185 40 0 HGABLO O=C(C1CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019292137 558864258 /nfs/dbraw/zinc/86/42/58/558864258.db2.gz VBLRHPNZVWJDJS-UHFFFAOYSA-N 1 2 423.561 3.242 40 0 HGABLO O=C(C1CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292137 558864260 /nfs/dbraw/zinc/86/42/60/558864260.db2.gz VBLRHPNZVWJDJS-UHFFFAOYSA-N 1 2 423.561 3.242 40 0 HGABLO CC(=O)N1c2ccc(C(=O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C ZINC000057811754 558890935 /nfs/dbraw/zinc/89/09/35/558890935.db2.gz GXXBCURFGLUPKW-MRXNPFEDSA-N 1 2 410.489 3.290 40 0 HGABLO COc1cccc(OC)c1C[N@@H+]1CCc2c(nc(C(C)C)nc2N2CCOCC2)C1 ZINC000019453667 558891051 /nfs/dbraw/zinc/89/10/51/558891051.db2.gz LPVXSKCMWJVPKH-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO COc1cccc(OC)c1C[N@H+]1CCc2c(nc(C(C)C)nc2N2CCOCC2)C1 ZINC000019453667 558891052 /nfs/dbraw/zinc/89/10/52/558891052.db2.gz LPVXSKCMWJVPKH-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)C5CC5)CC4)[nH]n3c(=O)c2C1 ZINC000019500285 558898507 /nfs/dbraw/zinc/89/85/07/558898507.db2.gz UWXPXMFPIBXOOJ-UHFFFAOYSA-N 1 2 411.550 3.098 40 0 HGABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C5CC5)CC4)[nH]n3c(=O)c2C1 ZINC000019500285 558898508 /nfs/dbraw/zinc/89/85/08/558898508.db2.gz UWXPXMFPIBXOOJ-UHFFFAOYSA-N 1 2 411.550 3.098 40 0 HGABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000019502080 558899969 /nfs/dbraw/zinc/89/99/69/558899969.db2.gz VBMTZEQWPXOMBR-VDNWNZSNSA-N 1 2 412.511 3.300 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000019502073 558899994 /nfs/dbraw/zinc/89/99/94/558899994.db2.gz GDKMBQIZOMERJG-IAGYGMIVSA-N 1 2 416.474 3.049 40 0 HGABLO COc1cc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc(OC)c1OC ZINC000019549872 558914638 /nfs/dbraw/zinc/91/46/38/558914638.db2.gz VTNFKHUMYKJXSG-IBGZPJMESA-N 1 2 411.458 3.336 40 0 HGABLO COc1cc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc(OC)c1OC ZINC000019549872 558914640 /nfs/dbraw/zinc/91/46/40/558914640.db2.gz VTNFKHUMYKJXSG-IBGZPJMESA-N 1 2 411.458 3.336 40 0 HGABLO Cc1cc(C(=O)C[NH+]2CCC(O)(Cn3ncc4ccccc43)CC2)c(C)n1C1CC1 ZINC000019567475 558926694 /nfs/dbraw/zinc/92/66/94/558926694.db2.gz DNXJWSAGWCMQJH-UHFFFAOYSA-N 1 2 406.530 3.499 40 0 HGABLO CN(C)c1ncc(-c2ccc(N)[nH+]c2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000019695318 558963944 /nfs/dbraw/zinc/96/39/44/558963944.db2.gz FASOIZDRDKFNFJ-UHFFFAOYSA-N 1 2 420.492 3.346 40 0 HGABLO CCC(CC)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000072389798 558970289 /nfs/dbraw/zinc/97/02/89/558970289.db2.gz FJAZUOUEYFVAQR-UHFFFAOYSA-N 1 2 413.566 3.344 40 0 HGABLO CCC(CC)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000072389798 558970291 /nfs/dbraw/zinc/97/02/91/558970291.db2.gz FJAZUOUEYFVAQR-UHFFFAOYSA-N 1 2 413.566 3.344 40 0 HGABLO CCn1nc([C@H](C)C(=O)NCCc2[nH]c3cc(C)c(C)cc3[nH+]2)c2ccccc2c1=O ZINC000019716974 558979230 /nfs/dbraw/zinc/97/92/30/558979230.db2.gz RDPDZQMRRMFGAE-INIZCTEOSA-N 1 2 417.513 3.372 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000782624 559279192 /nfs/dbraw/zinc/27/91/92/559279192.db2.gz ROTRNZATVRRSLT-LJQANCHMSA-N 1 2 410.522 3.100 40 0 HGABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889370 560542021 /nfs/dbraw/zinc/54/20/21/560542021.db2.gz IBFVCJBDDCWTPU-JOCHJYFZSA-N 1 2 414.513 3.447 40 0 HGABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000001224821 560572636 /nfs/dbraw/zinc/57/26/36/560572636.db2.gz YAQLXHRVFYFQEH-NRFANRHFSA-N 1 2 422.533 3.460 40 0 HGABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)c1C ZINC000409410821 560721362 /nfs/dbraw/zinc/72/13/62/560721362.db2.gz QPXUMZBVHGULEV-UHFFFAOYSA-N 1 2 421.950 3.145 40 0 HGABLO COc1ccc2nc(CN(CCC[NH+]3CCOCC3)Cc3cccnc3)ccc2c1 ZINC000013569054 560814202 /nfs/dbraw/zinc/81/42/02/560814202.db2.gz VAVWIGCCZAEOGW-UHFFFAOYSA-N 1 2 406.530 3.363 40 0 HGABLO O=C(c1ccc(N2CCCCC2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014397665 560841587 /nfs/dbraw/zinc/84/15/87/560841587.db2.gz UYPJBNKWANPNKB-UHFFFAOYSA-N 1 2 407.514 3.364 40 0 HGABLO C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CC[NH+](C)CC1 ZINC000019894394 560876836 /nfs/dbraw/zinc/87/68/36/560876836.db2.gz CPWBSRYUSKZUPH-CYBMUJFWSA-N 1 2 410.465 3.417 40 0 HGABLO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cncnc2)CC[C@@]1(C)O ZINC000604383341 568489677 /nfs/dbraw/zinc/48/96/77/568489677.db2.gz XIMJFGICRUZHEM-IRFCIJBXSA-N 1 2 402.564 3.157 40 0 biogenic,in-vitro HGABLO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cncnc2)CC[C@@]1(C)O ZINC000604383341 568489679 /nfs/dbraw/zinc/48/96/79/568489679.db2.gz XIMJFGICRUZHEM-IRFCIJBXSA-N 1 2 402.564 3.157 40 0 biogenic,in-vitro HGABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CCC[NH+]1CCOCC1 ZINC000223168358 568539977 /nfs/dbraw/zinc/53/99/77/568539977.db2.gz AGPJBCYIJMZNCQ-ZWKOTPCHSA-N 1 2 423.007 3.491 40 0 HGABLO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000224959900 568605997 /nfs/dbraw/zinc/60/59/97/568605997.db2.gz QCLSZCZMOWPCNQ-LJQANCHMSA-N 1 2 408.542 3.481 40 0 HGABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OC ZINC000095534279 568635413 /nfs/dbraw/zinc/63/54/13/568635413.db2.gz VMZJXZVMIXGGHU-MRXNPFEDSA-N 1 2 419.279 3.395 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](OC)[C@]4(CCCO4)C3)n2)cc1 ZINC000257222512 568782667 /nfs/dbraw/zinc/78/26/67/568782667.db2.gz DTODUGWAHJJULW-RXVVDRJESA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](OC)[C@]4(CCCO4)C3)n2)cc1 ZINC000257222512 568782669 /nfs/dbraw/zinc/78/26/69/568782669.db2.gz DTODUGWAHJJULW-RXVVDRJESA-N 1 2 417.531 3.027 40 0 HGABLO FC(F)(F)c1cccc(OCCc2cc([C@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)c1 ZINC000257268986 568795297 /nfs/dbraw/zinc/79/52/97/568795297.db2.gz MOBVOSFPDFHUKP-GOSISDBHSA-N 1 2 421.423 3.347 40 0 HGABLO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCC[NH+]3CCOCC3)c1O)OC2(C)C ZINC000257320395 568810426 /nfs/dbraw/zinc/81/04/26/568810426.db2.gz VWPRVWBHPKAFHD-KBAYOESNSA-N 1 2 402.535 3.145 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cccc(O)c1 ZINC000261363526 568819587 /nfs/dbraw/zinc/81/95/87/568819587.db2.gz HIZCWENTWGSREA-OAHLLOKOSA-O 1 2 418.296 3.299 40 0 HGABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1nccs1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306124887 568887688 /nfs/dbraw/zinc/88/76/88/568887688.db2.gz CBMWCNLCWXSJDP-UHFFFAOYSA-N 1 2 416.595 3.260 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC(F)(F)C[C@@]2(CCCNC2=O)C1 ZINC000306127885 568890739 /nfs/dbraw/zinc/89/07/39/568890739.db2.gz GJVUAKKBNWMLCP-INIZCTEOSA-N 1 2 408.367 3.331 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC(F)(F)C[C@@]2(CCCNC2=O)C1 ZINC000306127885 568890741 /nfs/dbraw/zinc/89/07/41/568890741.db2.gz GJVUAKKBNWMLCP-INIZCTEOSA-N 1 2 408.367 3.331 40 0 HGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306131181 568893489 /nfs/dbraw/zinc/89/34/89/568893489.db2.gz JYFAAZOPCFRDAU-UNMCSNQZSA-N 1 2 408.527 3.281 40 0 HGABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306131181 568893491 /nfs/dbraw/zinc/89/34/91/568893491.db2.gz JYFAAZOPCFRDAU-UNMCSNQZSA-N 1 2 408.527 3.281 40 0 HGABLO COCCN1CCC[C@]2(C[N@H+](Cc3cc(F)cc(F)c3OC)CC(F)(F)C2)C1=O ZINC000306132652 568894741 /nfs/dbraw/zinc/89/47/41/568894741.db2.gz LOKPXFRUDXYVJA-IBGZPJMESA-N 1 2 418.431 3.070 40 0 HGABLO COCCN1CCC[C@]2(C[N@@H+](Cc3cc(F)cc(F)c3OC)CC(F)(F)C2)C1=O ZINC000306132652 568894742 /nfs/dbraw/zinc/89/47/42/568894742.db2.gz LOKPXFRUDXYVJA-IBGZPJMESA-N 1 2 418.431 3.070 40 0 HGABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306136225 568897986 /nfs/dbraw/zinc/89/79/86/568897986.db2.gz PNNBQELDCGKANH-AUSIDOKSSA-N 1 2 420.490 3.233 40 0 HGABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306136225 568897988 /nfs/dbraw/zinc/89/79/88/568897988.db2.gz PNNBQELDCGKANH-AUSIDOKSSA-N 1 2 420.490 3.233 40 0 HGABLO Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)cc1 ZINC000306136637 568898431 /nfs/dbraw/zinc/89/84/31/568898431.db2.gz PYXMMQZBONEXNK-UHFFFAOYSA-N 1 2 419.504 3.470 40 0 HGABLO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)cc1 ZINC000306136637 568898432 /nfs/dbraw/zinc/89/84/32/568898432.db2.gz PYXMMQZBONEXNK-UHFFFAOYSA-N 1 2 419.504 3.470 40 0 HGABLO OCCCNc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329022256 568973115 /nfs/dbraw/zinc/97/31/15/568973115.db2.gz OMUQKJPEYFKSMU-UHFFFAOYSA-N 1 2 413.319 3.156 40 0 HGABLO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022030627 569042514 /nfs/dbraw/zinc/04/25/14/569042514.db2.gz ANFQGFDMBBGCAT-NRFANRHFSA-N 1 2 402.922 3.100 40 0 HGABLO CC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022030627 569042515 /nfs/dbraw/zinc/04/25/15/569042515.db2.gz ANFQGFDMBBGCAT-NRFANRHFSA-N 1 2 402.922 3.100 40 0 HGABLO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245228984 569313696 /nfs/dbraw/zinc/31/36/96/569313696.db2.gz KOCORJAUWQZPKM-VQTJNVASSA-N 1 2 423.962 3.077 40 0 HGABLO Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245228984 569313697 /nfs/dbraw/zinc/31/36/97/569313697.db2.gz KOCORJAUWQZPKM-VQTJNVASSA-N 1 2 423.962 3.077 40 0 HGABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccc(Cl)cc1Cl ZINC000058026036 569352349 /nfs/dbraw/zinc/35/23/49/569352349.db2.gz SQZBWKOZEREUCO-UHFFFAOYSA-N 1 2 414.362 3.138 40 0 HGABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000096112231 291232251 /nfs/dbraw/zinc/23/22/51/291232251.db2.gz TUFXRJPDLMMYDJ-XLIONFOSSA-N 1 2 400.429 3.400 40 0 biogenic,in-vitro HGABLO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000096112231 291232257 /nfs/dbraw/zinc/23/22/57/291232257.db2.gz TUFXRJPDLMMYDJ-XLIONFOSSA-N 1 2 400.429 3.400 40 0 biogenic,in-vitro HGABLO CCNC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015675828 291234458 /nfs/dbraw/zinc/23/44/58/291234458.db2.gz UHVGOPKFQJWZCX-AWEZNQCLSA-N 1 2 422.367 3.187 40 0 biogenic,in-vitro HGABLO CCNC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015675828 291234459 /nfs/dbraw/zinc/23/44/59/291234459.db2.gz UHVGOPKFQJWZCX-AWEZNQCLSA-N 1 2 422.367 3.187 40 0 biogenic,in-vitro HGABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCO3)n1 ZINC000035424900 291237078 /nfs/dbraw/zinc/23/70/78/291237078.db2.gz QFFZEOCDMXWGJL-KRWDZBQOSA-N 1 2 423.473 3.256 40 0 biogenic,in-vitro HGABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCO3)n1 ZINC000035424900 291237081 /nfs/dbraw/zinc/23/70/81/291237081.db2.gz QFFZEOCDMXWGJL-KRWDZBQOSA-N 1 2 423.473 3.256 40 0 biogenic,in-vitro HGABLO C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000253408397 291241866 /nfs/dbraw/zinc/24/18/66/291241866.db2.gz XVATZEMAIJXWDK-INIZCTEOSA-N 1 2 409.461 3.492 40 0 biogenic,in-vitro HGABLO Cc1c(C(=O)N2CC[NH+](C)CC2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385110 525581508 /nfs/dbraw/zinc/58/15/08/525581508.db2.gz ULFMNMGOOSEGTC-UHFFFAOYSA-N 1 2 412.925 3.264 40 0 HGABLO O=C(COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O)Nc1ccccc1F ZINC000004583964 557570068 /nfs/dbraw/zinc/57/00/68/557570068.db2.gz YCNLKGPTDMJCPC-UHFFFAOYSA-N 1 2 408.429 3.355 40 0 HGABLO O=C(COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O)Nc1ccccc1F ZINC000004583964 557570070 /nfs/dbraw/zinc/57/00/70/557570070.db2.gz YCNLKGPTDMJCPC-UHFFFAOYSA-N 1 2 408.429 3.355 40 0 HGABLO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(C)cc2)cc1 ZINC000035876946 557647024 /nfs/dbraw/zinc/64/70/24/557647024.db2.gz ONUBWOOSJJPPIG-YSFYHYPLSA-N 1 2 402.494 3.393 40 0 HGABLO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(C)cc2)cc1 ZINC000035876946 557647027 /nfs/dbraw/zinc/64/70/27/557647027.db2.gz ONUBWOOSJJPPIG-YSFYHYPLSA-N 1 2 402.494 3.393 40 0 HGABLO CC1CCN(c2ncc(-c3c[nH+]cn3[C@H](CO)Cc3ccc(N(C)C)cc3)cn2)CC1 ZINC000019719989 558258677 /nfs/dbraw/zinc/25/86/77/558258677.db2.gz STMINIBURDFFAU-QFIPXVFZSA-N 1 2 420.561 3.419 40 0 HGABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 ZINC000019974111 558317338 /nfs/dbraw/zinc/31/73/38/558317338.db2.gz WNHNUTVWJFRYCT-GFCCVEGCSA-N 1 2 421.288 3.030 40 0 HGABLO COc1ccc(C(=O)C[NH+]2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc1 ZINC000012365537 558387960 /nfs/dbraw/zinc/38/79/60/558387960.db2.gz IZWTTYVOJXBGQX-UHFFFAOYSA-N 1 2 408.498 3.154 40 0 HGABLO COc1ccc([C@@H]2NC3=[NH+]CN(C(C)C)CN3c3nc4ccccc4n32)cc1OC ZINC000020638603 558396896 /nfs/dbraw/zinc/39/68/96/558396896.db2.gz CKHZVRFPNZQSAA-HXUWFJFHSA-N 1 2 406.490 3.005 40 0 HGABLO c1csc([C@@H]2NC3=[NH+]CN(Cc4ccccn4)CN3c3nc4ccccc4n32)c1 ZINC000020676358 558400089 /nfs/dbraw/zinc/40/00/89/558400089.db2.gz OWCQRKOWMZEKEM-LJQANCHMSA-N 1 2 401.499 3.236 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C)c(Cl)c3)C1=O)CC2 ZINC000022609370 558501134 /nfs/dbraw/zinc/50/11/34/558501134.db2.gz XQXZJHMELSJZTG-GOSISDBHSA-N 1 2 414.889 3.356 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(C)c(Cl)c3)C1=O)CC2 ZINC000022609370 558501137 /nfs/dbraw/zinc/50/11/37/558501137.db2.gz XQXZJHMELSJZTG-GOSISDBHSA-N 1 2 414.889 3.356 40 0 HGABLO CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000014870031 558675260 /nfs/dbraw/zinc/67/52/60/558675260.db2.gz QKEAEOLWFDPTGF-UHFFFAOYSA-N 1 2 415.559 3.218 40 0 HGABLO COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000033635590 558770820 /nfs/dbraw/zinc/77/08/20/558770820.db2.gz PPKBCXDRJPIAHD-UAFMIMERSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000033635590 558770825 /nfs/dbraw/zinc/77/08/25/558770825.db2.gz PPKBCXDRJPIAHD-UAFMIMERSA-N 1 2 424.884 3.184 40 0 HGABLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016089069 558771515 /nfs/dbraw/zinc/77/15/15/558771515.db2.gz ODSGMLLCSBDLKB-UHFFFAOYSA-N 1 2 411.527 3.387 40 0 HGABLO COc1ccc([C@H](CN(C)C(=O)Cc2cc(C)ccc2OC)[NH+]2CCOCC2)cc1 ZINC000036741366 558802298 /nfs/dbraw/zinc/80/22/98/558802298.db2.gz GHZZEBURUKESME-QFIPXVFZSA-N 1 2 412.530 3.087 40 0 HGABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000013557122 558843809 /nfs/dbraw/zinc/84/38/09/558843809.db2.gz UPVXRZXAZJOAQF-AKHDSKFASA-N 1 2 412.848 3.314 40 0 HGABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000013557122 558843811 /nfs/dbraw/zinc/84/38/11/558843811.db2.gz UPVXRZXAZJOAQF-AKHDSKFASA-N 1 2 412.848 3.314 40 0 HGABLO Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)n1 ZINC000019285970 558860233 /nfs/dbraw/zinc/86/02/33/558860233.db2.gz LIFFDAPRVVJXRK-CQSZACIVSA-N 1 2 410.547 3.185 40 0 HGABLO Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)n1 ZINC000019285970 558860234 /nfs/dbraw/zinc/86/02/34/558860234.db2.gz LIFFDAPRVVJXRK-CQSZACIVSA-N 1 2 410.547 3.185 40 0 HGABLO COc1cccc([C@@H](NC(=O)c2cc3ccc(N(C)C)cc3[nH]2)c2[nH+]ccn2C)c1 ZINC000019291239 558863623 /nfs/dbraw/zinc/86/36/23/558863623.db2.gz IYJVBFUFHBDHAX-OAQYLSRUSA-N 1 2 403.486 3.495 40 0 HGABLO COc1cccc(-c2cc(C(=O)N[C@H](c3[nH+]ccn3C)c3cccc(OC)c3)[nH]n2)c1 ZINC000019291230 558863640 /nfs/dbraw/zinc/86/36/40/558863640.db2.gz FEWRSDBCGLLQOB-NRFANRHFSA-N 1 2 417.469 3.347 40 0 HGABLO CCc1c(C)sc(NC(=O)C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1C(N)=O ZINC000057720353 558890018 /nfs/dbraw/zinc/89/00/18/558890018.db2.gz XKIMQMYARWOZMB-OAHLLOKOSA-N 1 2 414.575 3.175 40 0 HGABLO CCc1c(C)sc(NC(=O)C[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1C(N)=O ZINC000057720353 558890020 /nfs/dbraw/zinc/89/00/20/558890020.db2.gz XKIMQMYARWOZMB-OAHLLOKOSA-N 1 2 414.575 3.175 40 0 HGABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000019502072 558899898 /nfs/dbraw/zinc/89/98/98/558899898.db2.gz GDKMBQIZOMERJG-NWZZKEMCSA-N 1 2 416.474 3.049 40 0 HGABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000019664373 558954858 /nfs/dbraw/zinc/95/48/58/558954858.db2.gz URJDTIOSFDRWRP-UHFFFAOYSA-N 1 2 413.543 3.126 40 0 HGABLO COc1ccc(OC)c(-c2[nH]nc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2C)c1 ZINC000019666860 558956428 /nfs/dbraw/zinc/95/64/28/558956428.db2.gz NFSHPAOWVXLWKA-UHFFFAOYSA-N 1 2 413.503 3.099 40 0 HGABLO COc1ccc(OC)c(-c2[nH]nc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2C)c1 ZINC000019666860 558956429 /nfs/dbraw/zinc/95/64/29/558956429.db2.gz NFSHPAOWVXLWKA-UHFFFAOYSA-N 1 2 413.503 3.099 40 0 HGABLO Cn1cc(C[N@@H+]2CCO[C@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072370231 558956681 /nfs/dbraw/zinc/95/66/81/558956681.db2.gz GABOCQHRXUPJLV-SFHVURJKSA-N 1 2 406.511 3.460 40 0 HGABLO Cn1cc(C[N@H+]2CCO[C@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072370231 558956683 /nfs/dbraw/zinc/95/66/83/558956683.db2.gz GABOCQHRXUPJLV-SFHVURJKSA-N 1 2 406.511 3.460 40 0 HGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCc2ccccc2F)nc2c1C[N@H+](C)CC2 ZINC000072372330 558959643 /nfs/dbraw/zinc/95/96/43/558959643.db2.gz FBLMWOALAYOFEP-FQEVSTJZSA-N 1 2 411.525 3.332 40 0 HGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCc2ccccc2F)nc2c1C[N@@H+](C)CC2 ZINC000072372330 558959646 /nfs/dbraw/zinc/95/96/46/558959646.db2.gz FBLMWOALAYOFEP-FQEVSTJZSA-N 1 2 411.525 3.332 40 0 HGABLO Cc1cc(C)cc(C(=O)N2CCC3(CCn4cc[nH+]c4[C@H]3NC(=O)C3CC3)CC2)c1 ZINC000585091873 559022914 /nfs/dbraw/zinc/02/29/14/559022914.db2.gz RLTBRFKJKIDZDW-HXUWFJFHSA-N 1 2 406.530 3.394 40 0 HGABLO COc1ccc(-c2cnc3n2CC[N@H+](C)C32CCN(Cc3nccs3)CC2)cc1 ZINC000096037074 559090950 /nfs/dbraw/zinc/09/09/50/559090950.db2.gz UAGKCEWBSNYUQW-UHFFFAOYSA-N 1 2 409.559 3.452 40 0 HGABLO COc1ccc(-c2cnc3n2CC[N@@H+](C)C32CCN(Cc3nccs3)CC2)cc1 ZINC000096037074 559090951 /nfs/dbraw/zinc/09/09/51/559090951.db2.gz UAGKCEWBSNYUQW-UHFFFAOYSA-N 1 2 409.559 3.452 40 0 HGABLO Cc1cccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)c1 ZINC000096251244 559105268 /nfs/dbraw/zinc/10/52/68/559105268.db2.gz GVOJEFVVJFUSSI-CYFREDJKSA-N 1 2 421.545 3.229 40 0 HGABLO Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ccn2)n1 ZINC000585291202 559123589 /nfs/dbraw/zinc/12/35/89/559123589.db2.gz LPRLFRBSRXEKLN-DUMMIQTOSA-N 1 2 403.490 3.375 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000072216200 559169439 /nfs/dbraw/zinc/16/94/39/559169439.db2.gz MRIYTYMADSTKNZ-HXUWFJFHSA-N 1 2 401.532 3.143 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c[nH+]c(N3CCOCC3)c(C)c2)cc1 ZINC000072219350 559169633 /nfs/dbraw/zinc/16/96/33/559169633.db2.gz WEPMQULHONIFTP-FQEVSTJZSA-N 1 2 401.532 3.061 40 0 HGABLO COc1ccc(OC)c(C[N@@H+]2CCNC(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1 ZINC000072351658 559185787 /nfs/dbraw/zinc/18/57/87/559185787.db2.gz MXCONAMRUHUOCU-HSZRJFAPSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(OC)c(C[N@H+]2CCNC(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1 ZINC000072351658 559185788 /nfs/dbraw/zinc/18/57/88/559185788.db2.gz MXCONAMRUHUOCU-HSZRJFAPSA-N 1 2 417.509 3.309 40 0 HGABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000782697 559279268 /nfs/dbraw/zinc/27/92/68/559279268.db2.gz ZORMNJNUCSNEBZ-FQEVSTJZSA-N 1 2 424.549 3.490 40 0 HGABLO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCn3cc[nH+]c3)CCCO2)c1 ZINC000257225677 559283758 /nfs/dbraw/zinc/28/37/58/559283758.db2.gz FHHNWFXXFRIEFP-DEOSSOPVSA-N 1 2 405.498 3.467 40 0 HGABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](C)C1 ZINC000020464120 560092758 /nfs/dbraw/zinc/09/27/58/560092758.db2.gz UXXLSWVYRUYTLE-JSGCOSHPSA-N 1 2 413.400 3.088 40 0 biogenic,in-vitro HGABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](C)C1 ZINC000020464120 560092759 /nfs/dbraw/zinc/09/27/59/560092759.db2.gz UXXLSWVYRUYTLE-JSGCOSHPSA-N 1 2 413.400 3.088 40 0 biogenic,in-vitro HGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000892804 560543016 /nfs/dbraw/zinc/54/30/16/560543016.db2.gz SEHXXKRVAIZRMN-FQEVSTJZSA-N 1 2 408.506 3.214 40 0 HGABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000000909450 560545989 /nfs/dbraw/zinc/54/59/89/560545989.db2.gz CROFLWJNJBTWEG-OAQYLSRUSA-N 1 2 418.476 3.196 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000910852 560546198 /nfs/dbraw/zinc/54/61/98/560546198.db2.gz BDVCVWOSWRJBLA-LJQANCHMSA-N 1 2 410.522 3.244 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000910853 560546226 /nfs/dbraw/zinc/54/62/26/560546226.db2.gz BDVCVWOSWRJBLA-IBGZPJMESA-N 1 2 410.522 3.244 40 0 HGABLO COc1cccc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1 ZINC000103983862 560735002 /nfs/dbraw/zinc/73/50/02/560735002.db2.gz DPVJLVOAQRPECM-IEBWSBKVSA-N 1 2 404.894 3.146 40 0 HGABLO COc1cccc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1 ZINC000103983862 560735003 /nfs/dbraw/zinc/73/50/03/560735003.db2.gz DPVJLVOAQRPECM-IEBWSBKVSA-N 1 2 404.894 3.146 40 0 HGABLO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219248587 568488522 /nfs/dbraw/zinc/48/85/22/568488522.db2.gz WNLLDZGMJGXEBD-UHFFFAOYSA-N 1 2 412.877 3.152 40 0 HGABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057645776 568494462 /nfs/dbraw/zinc/49/44/62/568494462.db2.gz HCQGTQQDZUABHC-OAQYLSRUSA-N 1 2 424.549 3.274 40 0 HGABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057645776 568494464 /nfs/dbraw/zinc/49/44/64/568494464.db2.gz HCQGTQQDZUABHC-OAQYLSRUSA-N 1 2 424.549 3.274 40 0 HGABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670281 568494622 /nfs/dbraw/zinc/49/46/22/568494622.db2.gz CRVHXDDCXYMEDM-OALUTQOASA-N 1 2 418.973 3.477 40 0 HGABLO CC(C)[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671553 568495292 /nfs/dbraw/zinc/49/52/92/568495292.db2.gz SCYSTUUKYYYKMI-IBGZPJMESA-N 1 2 400.527 3.441 40 0 HGABLO Cc1ccc([C@@H](C)[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C ZINC000026417044 568547763 /nfs/dbraw/zinc/54/77/63/568547763.db2.gz ZVOJXXWTCOQSDR-GOSISDBHSA-N 1 2 416.543 3.142 40 0 HGABLO CCOC(=O)C1=C(C[NH2+]Cc2ccccc2Cl)NC(=O)N[C@H]1c1cccs1 ZINC000026441455 568549585 /nfs/dbraw/zinc/54/95/85/568549585.db2.gz LMKNTLOPMMVCQD-KRWDZBQOSA-N 1 2 405.907 3.362 40 0 HGABLO COc1cc2c(cc1S(=O)(=O)N1CC[NH+](Cc3ccccc3)CC1)CCCC2 ZINC000224770529 568596059 /nfs/dbraw/zinc/59/60/59/568596059.db2.gz MICJNYRLSJQTLQ-UHFFFAOYSA-N 1 2 400.544 3.081 40 0 HGABLO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000224959939 568606037 /nfs/dbraw/zinc/60/60/37/568606037.db2.gz QCLSZCZMOWPCNQ-IBGZPJMESA-N 1 2 408.542 3.481 40 0 HGABLO Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(Cl)c1 ZINC000225003842 568608379 /nfs/dbraw/zinc/60/83/79/568608379.db2.gz ICBXZCUGJTUIFV-UHFFFAOYSA-N 1 2 421.950 3.145 40 0 HGABLO COc1ccc([C@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OC ZINC000095533850 568635420 /nfs/dbraw/zinc/63/54/20/568635420.db2.gz BUWSWNIQVOQOQF-HNNXBMFYSA-N 1 2 405.252 3.005 40 0 HGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4cnc(OC)nc4)C3)CO[C@H]21 ZINC000257220651 568782068 /nfs/dbraw/zinc/78/20/68/568782068.db2.gz DLOZLOMEXLZBBT-PKOBYXMFSA-N 1 2 411.502 3.245 40 0 HGABLO C[C@]1(O)C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000257267312 568794803 /nfs/dbraw/zinc/79/48/03/568794803.db2.gz MGSZXUSWBDVINK-PMACEKPBSA-N 1 2 409.935 3.148 40 0 HGABLO C[C@]1(O)C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000257267312 568794805 /nfs/dbraw/zinc/79/48/05/568794805.db2.gz MGSZXUSWBDVINK-PMACEKPBSA-N 1 2 409.935 3.148 40 0 HGABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1 ZINC000257274269 568796943 /nfs/dbraw/zinc/79/69/43/568796943.db2.gz NKGOKFHYGSEICL-OAQYLSRUSA-N 1 2 421.501 3.344 40 0 HGABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1 ZINC000257274269 568796945 /nfs/dbraw/zinc/79/69/45/568796945.db2.gz NKGOKFHYGSEICL-OAQYLSRUSA-N 1 2 421.501 3.344 40 0 HGABLO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257284453 568799689 /nfs/dbraw/zinc/79/96/89/568799689.db2.gz PCTQCWMJWVLJLN-QHCPKHFHSA-N 1 2 403.486 3.243 40 0 HGABLO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257284453 568799691 /nfs/dbraw/zinc/79/96/91/568799691.db2.gz PCTQCWMJWVLJLN-QHCPKHFHSA-N 1 2 403.486 3.243 40 0 HGABLO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257284452 568799746 /nfs/dbraw/zinc/79/97/46/568799746.db2.gz PCTQCWMJWVLJLN-HSZRJFAPSA-N 1 2 403.486 3.243 40 0 HGABLO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257284452 568799748 /nfs/dbraw/zinc/79/97/48/568799748.db2.gz PCTQCWMJWVLJLN-HSZRJFAPSA-N 1 2 403.486 3.243 40 0 HGABLO CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nncs4)cc(C)[nH+]3)C2)o1 ZINC000257318550 568809792 /nfs/dbraw/zinc/80/97/92/568809792.db2.gz VOJRKZGCQYTHRP-HNNXBMFYSA-N 1 2 414.491 3.058 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C1)CO2 ZINC000257329978 568812989 /nfs/dbraw/zinc/81/29/89/568812989.db2.gz XMFZGUHZTHTLNC-QHCPKHFHSA-N 1 2 404.470 3.330 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C1)CO2 ZINC000257329978 568812990 /nfs/dbraw/zinc/81/29/90/568812990.db2.gz XMFZGUHZTHTLNC-QHCPKHFHSA-N 1 2 404.470 3.330 40 0 HGABLO CC1(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CCN(C(=O)c2ccccc2F)CC1 ZINC000257343988 568817287 /nfs/dbraw/zinc/81/72/87/568817287.db2.gz ZVGUMYYKUSBOSS-SFHVURJKSA-N 1 2 424.520 3.248 40 0 HGABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccn1C ZINC000261363577 568819508 /nfs/dbraw/zinc/81/95/08/568819508.db2.gz HPTFDPUAKSVMTL-FQEVSTJZSA-O 1 2 410.523 3.281 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(O)ccc1Br ZINC000261364384 568819551 /nfs/dbraw/zinc/81/95/51/568819551.db2.gz LFAUUESJHFSMDM-OAHLLOKOSA-O 1 2 418.296 3.299 40 0 HGABLO O=C(c1ccco1)N1CCN(CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)[nH+]2)C1 ZINC000306127166 568889937 /nfs/dbraw/zinc/88/99/37/568889937.db2.gz FQFMFIQMAGDJSV-HXUWFJFHSA-N 1 2 419.529 3.437 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(C[N@H+](Cc4cnn(C)c4)CC(F)(F)C3)C2=O)c1 ZINC000306133578 568895613 /nfs/dbraw/zinc/89/56/13/568895613.db2.gz MQBQDQLMNPKEPY-OAQYLSRUSA-N 1 2 418.488 3.079 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(C[N@@H+](Cc4cnn(C)c4)CC(F)(F)C3)C2=O)c1 ZINC000306133578 568895615 /nfs/dbraw/zinc/89/56/15/568895615.db2.gz MQBQDQLMNPKEPY-OAQYLSRUSA-N 1 2 418.488 3.079 40 0 HGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306134787 568896668 /nfs/dbraw/zinc/89/66/68/568896668.db2.gz NYELOIWEQSIPDP-YKSBVNFPSA-N 1 2 424.520 3.471 40 0 HGABLO CCn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)cc4)ccc2S3(=O)=O)cn1 ZINC000306140392 568902274 /nfs/dbraw/zinc/90/22/74/568902274.db2.gz USEGVXDPURBOES-IRLDBZIGSA-N 1 2 411.502 3.464 40 0 HGABLO CCn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)cc4)ccc2S3(=O)=O)cn1 ZINC000306140392 568902277 /nfs/dbraw/zinc/90/22/77/568902277.db2.gz USEGVXDPURBOES-IRLDBZIGSA-N 1 2 411.502 3.464 40 0 HGABLO CC(C)n1cc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306144428 568905815 /nfs/dbraw/zinc/90/58/15/568905815.db2.gz ZEULUJFMQHGLBL-NRFANRHFSA-N 1 2 407.566 3.201 40 0 HGABLO CC(C)n1cc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306144428 568905816 /nfs/dbraw/zinc/90/58/16/568905816.db2.gz ZEULUJFMQHGLBL-NRFANRHFSA-N 1 2 407.566 3.201 40 0 HGABLO C[C@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328979556 568971092 /nfs/dbraw/zinc/97/10/92/568971092.db2.gz GGBCDGUCQMMAPV-GFCCVEGCSA-N 1 2 417.282 3.425 40 0 HGABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)cc2c1 ZINC000000782695 569048840 /nfs/dbraw/zinc/04/88/40/569048840.db2.gz XHOMJLJCIOAPED-IBGZPJMESA-N 1 2 410.522 3.244 40 0 HGABLO Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000019332623 569326963 /nfs/dbraw/zinc/32/69/63/569326963.db2.gz OKSSFSWDJNGFKE-QFIPXVFZSA-N 1 2 421.524 3.230 40 0 HGABLO [NH3+][C@H](C(=O)NCC1CCC(c2ccnc(Nc3ncccn3)n2)CC1)c1ccccc1 ZINC000072380014 569352549 /nfs/dbraw/zinc/35/25/49/569352549.db2.gz NMJOVTIISUQYDJ-UHYCVJNDSA-N 1 2 417.517 3.100 40 0 HGABLO CCOc1cccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261364622 569413746 /nfs/dbraw/zinc/41/37/46/569413746.db2.gz MOJDLLPSTCXCFA-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cn1 ZINC000096111866 291240187 /nfs/dbraw/zinc/24/01/87/291240187.db2.gz BAMGSBZJBCAJSE-FPOVZHCZSA-N 1 2 416.481 3.054 40 0 biogenic,in-vitro HGABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cn1 ZINC000096111866 291240188 /nfs/dbraw/zinc/24/01/88/291240188.db2.gz BAMGSBZJBCAJSE-FPOVZHCZSA-N 1 2 416.481 3.054 40 0 biogenic,in-vitro HGABLO COc1ccc(CNC(=O)[C@@H]2Cc3[nH]c[nH+]c3CN2Cc2ccc(Cl)cc2)cc1 ZINC000015676246 291240348 /nfs/dbraw/zinc/24/03/48/291240348.db2.gz PXEDTPKPMJZSHQ-NRFANRHFSA-N 1 2 410.905 3.315 40 0 biogenic,in-vitro HGABLO COc1ccc(CNC(=O)[C@@H]2Cc3[nH+]c[nH]c3CN2Cc2ccc(Cl)cc2)cc1 ZINC000015676246 291240351 /nfs/dbraw/zinc/24/03/51/291240351.db2.gz PXEDTPKPMJZSHQ-NRFANRHFSA-N 1 2 410.905 3.315 40 0 biogenic,in-vitro HGABLO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)n1 ZINC000096111838 291241045 /nfs/dbraw/zinc/24/10/45/291241045.db2.gz CDKDEBKCYHBVOF-FPOVZHCZSA-N 1 2 416.481 3.054 40 0 biogenic,in-vitro HGABLO COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)n1 ZINC000096111838 291241046 /nfs/dbraw/zinc/24/10/46/291241046.db2.gz CDKDEBKCYHBVOF-FPOVZHCZSA-N 1 2 416.481 3.054 40 0 biogenic,in-vitro HGABLO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674222 291245960 /nfs/dbraw/zinc/24/59/60/291245960.db2.gz HOAZDCFHUCWYNV-CJNGLKHVSA-N 1 2 406.364 3.338 40 0 biogenic,in-vitro HGABLO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674222 291245962 /nfs/dbraw/zinc/24/59/62/291245962.db2.gz HOAZDCFHUCWYNV-CJNGLKHVSA-N 1 2 406.364 3.338 40 0 biogenic,in-vitro HGABLO Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)o1 ZINC000072335858 524441508 /nfs/dbraw/zinc/44/15/08/524441508.db2.gz UFIVJQRQSYTIGB-UHFFFAOYSA-N 1 2 412.515 3.223 40 0 HGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035361704 557520368 /nfs/dbraw/zinc/52/03/68/557520368.db2.gz MQFONYWUEWYXHW-ZRNYENFQSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035361704 557520369 /nfs/dbraw/zinc/52/03/69/557520369.db2.gz MQFONYWUEWYXHW-ZRNYENFQSA-N 1 2 408.885 3.484 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161862 557521923 /nfs/dbraw/zinc/52/19/23/557521923.db2.gz GEZQCTLFWVYDGB-MGPUTAFESA-N 1 2 424.549 3.490 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161862 557521925 /nfs/dbraw/zinc/52/19/25/557521925.db2.gz GEZQCTLFWVYDGB-MGPUTAFESA-N 1 2 424.549 3.490 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@H]2C(=O)c1ccccc1 ZINC000035876505 557646726 /nfs/dbraw/zinc/64/67/26/557646726.db2.gz DGCKMEPKTUBWJY-XLNTUCKNSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@H]2C(=O)c1ccccc1 ZINC000035876505 557646727 /nfs/dbraw/zinc/64/67/27/557646727.db2.gz DGCKMEPKTUBWJY-XLNTUCKNSA-N 1 2 424.884 3.184 40 0 HGABLO O=S(=O)(c1ccc(NCn2ccnc2)cc1)c1ccc(NCn2cc[nH+]c2)cc1 ZINC000006198955 557693776 /nfs/dbraw/zinc/69/37/76/557693776.db2.gz YDIXNHPLOQRNSC-UHFFFAOYSA-N 1 2 408.487 3.052 40 0 HGABLO CC1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019743402 558264045 /nfs/dbraw/zinc/26/40/45/558264045.db2.gz GXNJCNLCCAUALR-HNNXBMFYSA-N 1 2 424.471 3.344 40 0 HGABLO CC1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019743402 558264048 /nfs/dbraw/zinc/26/40/48/558264048.db2.gz GXNJCNLCCAUALR-HNNXBMFYSA-N 1 2 424.471 3.344 40 0 HGABLO CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022438166 558489731 /nfs/dbraw/zinc/48/97/31/558489731.db2.gz GPOBOOFLRHXSLE-UHFFFAOYSA-N 1 2 413.543 3.433 40 0 HGABLO CC[NH+](CC)CN1c2ccccc2[C@@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000013635455 558553840 /nfs/dbraw/zinc/55/38/40/558553840.db2.gz QQQQKVXZASFDRD-VWLOTQADSA-N 1 2 416.525 3.462 40 0 HGABLO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000036615842 558729710 /nfs/dbraw/zinc/72/97/10/558729710.db2.gz VDURWCPIOQEPPI-UHFFFAOYSA-N 1 2 404.518 3.072 40 0 HGABLO COc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CCC(C(N)=O)CC2)c(OC)c1 ZINC000082055962 558827610 /nfs/dbraw/zinc/82/76/10/558827610.db2.gz QQZZDZQSIIKNBJ-LJQANCHMSA-N 1 2 414.510 3.142 40 0 HGABLO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019402029 558883772 /nfs/dbraw/zinc/88/37/72/558883772.db2.gz WWINTBHUAPYVQH-LJQANCHMSA-N 1 2 408.550 3.022 40 0 HGABLO C[C@@H](NC(=O)C[NH+]1CCN([C@H](c2nccn2C)c2ccccc2)CC1)c1ccccc1 ZINC000019459465 558893051 /nfs/dbraw/zinc/89/30/51/558893051.db2.gz ZORJNFKYLPPABE-YKSBVNFPSA-N 1 2 417.557 3.005 40 0 HGABLO CCCN1CC[N@H+](Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503340 558900451 /nfs/dbraw/zinc/90/04/51/558900451.db2.gz WXCQSQPRXWMRFS-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503340 558900453 /nfs/dbraw/zinc/90/04/53/558900453.db2.gz WXCQSQPRXWMRFS-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CCN(Cc2[nH]cc[nH+]2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503340 558900456 /nfs/dbraw/zinc/90/04/56/558900456.db2.gz WXCQSQPRXWMRFS-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)Cn4cc[nH+]c4)CC3)cc2N1 ZINC000019520817 558901989 /nfs/dbraw/zinc/90/19/89/558901989.db2.gz RBUNIEHRPVFXNC-GDBMZVCRSA-N 1 2 410.444 3.183 40 0 HGABLO Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000019561053 558921913 /nfs/dbraw/zinc/92/19/13/558921913.db2.gz MNZJLIYBESZSHG-UHFFFAOYSA-N 1 2 424.526 3.477 40 0 HGABLO Cc1c(C(=O)NCC(C)C)sc2nc3n(c(=O)c12)CC[N@@H+](Cc1ccccc1)CC3 ZINC000019565184 558925155 /nfs/dbraw/zinc/92/51/55/558925155.db2.gz AXXDESZANXWULH-UHFFFAOYSA-N 1 2 424.570 3.211 40 0 HGABLO Cc1c(C(=O)NCC(C)C)sc2nc3n(c(=O)c12)CC[N@H+](Cc1ccccc1)CC3 ZINC000019565184 558925159 /nfs/dbraw/zinc/92/51/59/558925159.db2.gz AXXDESZANXWULH-UHFFFAOYSA-N 1 2 424.570 3.211 40 0 HGABLO COc1cccc([C@@H](NS(=O)(=O)c2cc(C)c(C)cc2OC)c2[nH+]ccn2C)c1 ZINC000019566985 558926492 /nfs/dbraw/zinc/92/64/92/558926492.db2.gz FRUIDQYJOXSQMF-HXUWFJFHSA-N 1 2 415.515 3.122 40 0 HGABLO COc1ccc(C[N@H+](C)CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000019586421 558939452 /nfs/dbraw/zinc/93/94/52/558939452.db2.gz MROXQMOXALKLGA-XMMPIXPASA-N 1 2 420.513 3.033 40 0 HGABLO COc1ccc(C[N@@H+](C)CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000019586421 558939454 /nfs/dbraw/zinc/93/94/54/558939454.db2.gz MROXQMOXALKLGA-XMMPIXPASA-N 1 2 420.513 3.033 40 0 HGABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000019666284 558956072 /nfs/dbraw/zinc/95/60/72/558956072.db2.gz HFCPPSFIWJSNIE-HNNXBMFYSA-N 1 2 412.515 3.338 40 0 HGABLO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1ccc(C)cc1OC)C2 ZINC000019708504 558970783 /nfs/dbraw/zinc/97/07/83/558970783.db2.gz MXDJKHLNYWPPEL-LJQANCHMSA-N 1 2 423.561 3.120 40 0 HGABLO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1ccc(C)cc1OC)C2 ZINC000019708504 558970784 /nfs/dbraw/zinc/97/07/84/558970784.db2.gz MXDJKHLNYWPPEL-LJQANCHMSA-N 1 2 423.561 3.120 40 0 HGABLO CCc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)c2c(C)noc2n1 ZINC000019714525 558974548 /nfs/dbraw/zinc/97/45/48/558974548.db2.gz NDQSNSZEQMRFSZ-FQEVSTJZSA-N 1 2 408.502 3.205 40 0 HGABLO Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)C[NH+]4Cc5ccccc5C4)CC3)n2n1 ZINC000257335581 559013160 /nfs/dbraw/zinc/01/31/60/559013160.db2.gz YKWFLWKWFPVGNO-WGSAOQKQSA-N 1 2 403.530 3.444 40 0 HGABLO Cn1c[nH+]c([C@H]2C[C@@]3(CN2C(=O)c2cccc(F)c2)CCCN(CC2CC2)C3=O)c1 ZINC000585106422 559028787 /nfs/dbraw/zinc/02/87/87/559028787.db2.gz FPPYNMLGBJTDKF-NFBKMPQASA-N 1 2 410.493 3.165 40 0 HGABLO Cc1ccc(CNC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2C(=O)c2ccccc2)o1 ZINC000096147278 559098426 /nfs/dbraw/zinc/09/84/26/559098426.db2.gz IXEMBZWLGISLDH-NRFANRHFSA-N 1 2 406.486 3.421 40 0 HGABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)n2)n1 ZINC000585291583 559123870 /nfs/dbraw/zinc/12/38/70/559123870.db2.gz RYPNCWFXTJUVDL-LKGOPFMKSA-N 1 2 418.505 3.426 40 0 HGABLO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000035425276 560080243 /nfs/dbraw/zinc/08/02/43/560080243.db2.gz CURKTWFDWXGVDX-IBGZPJMESA-N 1 2 409.465 3.444 40 0 biogenic,in-vitro HGABLO Fc1ccccc1C[N@H+]1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000035425276 560080244 /nfs/dbraw/zinc/08/02/44/560080244.db2.gz CURKTWFDWXGVDX-IBGZPJMESA-N 1 2 409.465 3.444 40 0 biogenic,in-vitro HGABLO O=C(c1ccc(Cl)cc1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372325 560578122 /nfs/dbraw/zinc/57/81/22/560578122.db2.gz VQJRYVGPKYHBSE-UHFFFAOYSA-N 1 2 418.888 3.431 40 0 HGABLO COc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000004908731 560618038 /nfs/dbraw/zinc/61/80/38/560618038.db2.gz VVECHFBENNYFCM-UHFFFAOYSA-N 1 2 409.530 3.453 40 0 HGABLO C=C1[NH+]=C(SCC(N)=O)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408991608 560662322 /nfs/dbraw/zinc/66/23/22/560662322.db2.gz QRZVTVHVFIJLDF-CQSZACIVSA-N 1 2 402.303 3.049 40 0 HGABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c12 ZINC000019236491 560872246 /nfs/dbraw/zinc/87/22/46/560872246.db2.gz OYQWDOORPGZWNS-UHFFFAOYSA-N 1 2 420.513 3.203 40 0 HGABLO CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670350 568494556 /nfs/dbraw/zinc/49/45/56/568494556.db2.gz PKSCXRDJJQPXCK-OALUTQOASA-N 1 2 404.946 3.025 40 0 HGABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000057671046 568495058 /nfs/dbraw/zinc/49/50/58/568495058.db2.gz KOYWHHNUVUWGAF-QFIPXVFZSA-N 1 2 424.524 3.388 40 0 HGABLO CCOc1ccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000224979256 568607276 /nfs/dbraw/zinc/60/72/76/568607276.db2.gz BNWNLHVLHFLGNA-UHFFFAOYSA-N 1 2 403.442 3.310 40 0 HGABLO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)CCOCC2)c1 ZINC000225566643 568651903 /nfs/dbraw/zinc/65/19/03/568651903.db2.gz DXAZTXCVZBRJMZ-UHFFFAOYSA-N 1 2 424.541 3.393 40 0 HGABLO Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)nc(C)[nH+]1 ZINC000257221837 568782518 /nfs/dbraw/zinc/78/25/18/568782518.db2.gz DQSLUGCATHKXPX-HXUWFJFHSA-N 1 2 415.444 3.294 40 0 HGABLO COCCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257227279 568784129 /nfs/dbraw/zinc/78/41/29/568784129.db2.gz FOMCOVQBFYQTSH-JOCHJYFZSA-N 1 2 421.501 3.214 40 0 HGABLO COCCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257227279 568784132 /nfs/dbraw/zinc/78/41/32/568784132.db2.gz FOMCOVQBFYQTSH-JOCHJYFZSA-N 1 2 421.501 3.214 40 0 HGABLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@H](c4ncncc4-c4ccnc(N)c4)C3)ccc2O1 ZINC000257234027 568786031 /nfs/dbraw/zinc/78/60/31/568786031.db2.gz GRUPGLJLNSAURR-NRFANRHFSA-N 1 2 417.513 3.408 40 0 HGABLO CC1(C)Cc2cc(C[N@H+]3CCO[C@H](c4ncncc4-c4ccnc(N)c4)C3)ccc2O1 ZINC000257234027 568786033 /nfs/dbraw/zinc/78/60/33/568786033.db2.gz GRUPGLJLNSAURR-NRFANRHFSA-N 1 2 417.513 3.408 40 0 HGABLO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)c1 ZINC000257268987 568795317 /nfs/dbraw/zinc/79/53/17/568795317.db2.gz MOBVOSFPDFHUKP-SFHVURJKSA-N 1 2 421.423 3.347 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@H](OC)C3)n2)cc1 ZINC000257289000 568801174 /nfs/dbraw/zinc/80/11/74/568801174.db2.gz PWOSLNNRMBGAGK-NQIIRXRSSA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@H](OC)C3)n2)cc1 ZINC000257289000 568801175 /nfs/dbraw/zinc/80/11/75/568801175.db2.gz PWOSLNNRMBGAGK-NQIIRXRSSA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@]4(CCCO4)[C@@H](OC)C3)n2)cc1 ZINC000257288999 568801182 /nfs/dbraw/zinc/80/11/82/568801182.db2.gz PWOSLNNRMBGAGK-GHTZIAJQSA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@]4(CCCO4)[C@@H](OC)C3)n2)cc1 ZINC000257288999 568801184 /nfs/dbraw/zinc/80/11/84/568801184.db2.gz PWOSLNNRMBGAGK-GHTZIAJQSA-N 1 2 417.531 3.027 40 0 HGABLO Cc1cc(Nc2cc[nH+]c(NC3CCN(C(=O)c4c(F)cccc4F)CC3)n2)n[nH]1 ZINC000257339072 568815833 /nfs/dbraw/zinc/81/58/33/568815833.db2.gz ZABWRLSHIFXZCF-UHFFFAOYSA-N 1 2 413.432 3.247 40 0 HGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC)c1 ZINC000261362298 568819362 /nfs/dbraw/zinc/81/93/62/568819362.db2.gz CSGDZQMBTCMGMZ-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)[C@@H]2c1cccs1 ZINC000261363713 568819556 /nfs/dbraw/zinc/81/95/56/568819556.db2.gz HUEXBONXCYMSEH-INIZCTEOSA-O 1 2 405.912 3.487 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1ccc(O)cc1 ZINC000261366050 568819731 /nfs/dbraw/zinc/81/97/31/568819731.db2.gz XCSPTDHLPXWHKZ-OAHLLOKOSA-O 1 2 418.296 3.299 40 0 HGABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306124280 568887196 /nfs/dbraw/zinc/88/71/96/568887196.db2.gz BLMSVKBLXAFTIB-QFIPXVFZSA-N 1 2 401.470 3.373 40 0 HGABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306124280 568887198 /nfs/dbraw/zinc/88/71/98/568887198.db2.gz BLMSVKBLXAFTIB-QFIPXVFZSA-N 1 2 401.470 3.373 40 0 HGABLO Cc1cccc(CN2CCC[C@@]3(C[N@H+](CC4=CCCOC4)CC(F)(F)C3)C2=O)n1 ZINC000306126807 568889552 /nfs/dbraw/zinc/88/95/52/568889552.db2.gz FFTYQGWWLULHAY-OAQYLSRUSA-N 1 2 405.489 3.187 40 0 HGABLO Cc1cccc(CN2CCC[C@@]3(C[N@@H+](CC4=CCCOC4)CC(F)(F)C3)C2=O)n1 ZINC000306126807 568889555 /nfs/dbraw/zinc/88/95/55/568889555.db2.gz FFTYQGWWLULHAY-OAQYLSRUSA-N 1 2 405.489 3.187 40 0 HGABLO CC(C)CC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000306129270 568891931 /nfs/dbraw/zinc/89/19/31/568891931.db2.gz HZCUCEYLVHKSJJ-HYBUGGRVSA-N 1 2 423.561 3.250 40 0 HGABLO CCn1cc(C[NH+]2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)cn1 ZINC000306144665 568906016 /nfs/dbraw/zinc/90/60/16/568906016.db2.gz ZLLGYVMLOMFFJZ-UHFFFAOYSA-N 1 2 405.481 3.074 40 0 HGABLO OCCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329038178 568974213 /nfs/dbraw/zinc/97/42/13/568974213.db2.gz RRXKLACBDPVEBN-UHFFFAOYSA-N 1 2 406.330 3.383 40 0 HGABLO COc1cccc([C@]2(O)CCC[C@@H]3CN(C(=O)c4ccc(Cn5cc[nH+]c5)o4)C[C@H]32)c1 ZINC000248251757 569316663 /nfs/dbraw/zinc/31/66/63/569316663.db2.gz PUOVVUAOMKNVBT-NYQDVAGCSA-N 1 2 421.497 3.293 40 0 HGABLO Cc1nc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019738902 569348580 /nfs/dbraw/zinc/34/85/80/569348580.db2.gz IWTAGELQLDVKKT-SFHVURJKSA-N 1 2 408.550 3.357 40 0 HGABLO Cc1nc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019738902 569348581 /nfs/dbraw/zinc/34/85/81/569348581.db2.gz IWTAGELQLDVKKT-SFHVURJKSA-N 1 2 408.550 3.357 40 0 HGABLO COc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1C ZINC000261366411 569413933 /nfs/dbraw/zinc/41/39/33/569413933.db2.gz ZOPDTQDOQADECW-HXUWFJFHSA-O 1 2 409.491 3.089 40 0 HGABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)C[N@@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019701389 571310652 /nfs/dbraw/zinc/31/06/52/571310652.db2.gz LTNYMDVJKXFRKE-KRWDZBQOSA-N 1 2 423.542 3.328 40 0 HGABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)C[N@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019701389 571310654 /nfs/dbraw/zinc/31/06/54/571310654.db2.gz LTNYMDVJKXFRKE-KRWDZBQOSA-N 1 2 423.542 3.328 40 0 HGABLO Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccc3C)c3nc[nH+]c(N)c23)cc1 ZINC000114465229 571315438 /nfs/dbraw/zinc/31/54/38/571315438.db2.gz ZCZGSEXBXXYQQC-UHFFFAOYSA-N 1 2 415.501 3.252 40 0 HGABLO O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1 ZINC000035425726 291245019 /nfs/dbraw/zinc/24/50/19/291245019.db2.gz PXIQUTUBRLJQNS-SFHVURJKSA-N 1 2 416.441 3.353 40 0 biogenic,in-vitro HGABLO O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1 ZINC000035425726 291245023 /nfs/dbraw/zinc/24/50/23/291245023.db2.gz PXIQUTUBRLJQNS-SFHVURJKSA-N 1 2 416.441 3.353 40 0 biogenic,in-vitro HGABLO O=C(c1ccccc1Cl)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372326 132244971 /nfs/dbraw/zinc/24/49/71/132244971.db2.gz UYRBUNDAWGAZKO-UHFFFAOYSA-N 1 2 418.888 3.431 40 0 HGABLO C[C@@H]1CN(c2cccc[nH+]2)[C@H](C)CN1C(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000006175724 132309463 /nfs/dbraw/zinc/30/94/63/132309463.db2.gz CXJFQPSXYKSEFJ-WOJBJXKFSA-N 1 2 401.510 3.443 40 0 HGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000012116316 132354227 /nfs/dbraw/zinc/35/42/27/132354227.db2.gz LDNFHLZGYOMWLF-UHFFFAOYSA-N 1 2 419.529 3.265 40 0 HGABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000035889686 557649929 /nfs/dbraw/zinc/64/99/29/557649929.db2.gz DNFVZNPHOQSYCX-HAGHYFMRSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000035889686 557649931 /nfs/dbraw/zinc/64/99/31/557649931.db2.gz DNFVZNPHOQSYCX-HAGHYFMRSA-N 1 2 408.885 3.484 40 0 HGABLO Nc1n[nH]c2nc([C@@H]3CCCC[N@@H+]3CC(=O)N3CCCCC3)cc(C(F)(F)F)c12 ZINC000019743396 558264064 /nfs/dbraw/zinc/26/40/64/558264064.db2.gz BSGAWTYCPJMXOO-AWEZNQCLSA-N 1 2 410.444 3.098 40 0 HGABLO Nc1n[nH]c2nc([C@@H]3CCCC[N@H+]3CC(=O)N3CCCCC3)cc(C(F)(F)F)c12 ZINC000019743396 558264067 /nfs/dbraw/zinc/26/40/67/558264067.db2.gz BSGAWTYCPJMXOO-AWEZNQCLSA-N 1 2 410.444 3.098 40 0 HGABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000012116288 558328616 /nfs/dbraw/zinc/32/86/16/558328616.db2.gz WOAMOOJPVFSDOL-INIZCTEOSA-N 1 2 417.513 3.334 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)c(=O)c2c1C ZINC000012184114 558344079 /nfs/dbraw/zinc/34/40/79/558344079.db2.gz YBCPQIUPCVLGJC-KRWDZBQOSA-N 1 2 416.591 3.458 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)c(=O)c2c1C ZINC000012184114 558344081 /nfs/dbraw/zinc/34/40/81/558344081.db2.gz YBCPQIUPCVLGJC-KRWDZBQOSA-N 1 2 416.591 3.458 40 0 HGABLO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Br ZINC000020495064 558380158 /nfs/dbraw/zinc/38/01/58/558380158.db2.gz LZXRILGMGBMJEP-UHFFFAOYSA-N 1 2 422.304 3.122 40 0 HGABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1Cl ZINC000020801424 558415311 /nfs/dbraw/zinc/41/53/11/558415311.db2.gz QNHXJVLZHMGCOR-MOPGFXCFSA-N 1 2 411.889 3.105 40 0 HGABLO O=C(COc1cccc(C(F)(F)F)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024378800 558596481 /nfs/dbraw/zinc/59/64/81/558596481.db2.gz FZZZHMKOPQSGDD-UHFFFAOYSA-N 1 2 408.420 3.233 40 0 HGABLO Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)c2ccc(Br)cc2)n1 ZINC000016283880 558783556 /nfs/dbraw/zinc/78/35/56/558783556.db2.gz BNYXBPMYRNVXDX-UHFFFAOYSA-N 1 2 421.364 3.274 40 0 HGABLO O=c1[nH]cc(-c2ccccc2)cc1CNc1ccccc1OCC[NH+]1CCOCC1 ZINC000019373991 558880950 /nfs/dbraw/zinc/88/09/50/558880950.db2.gz OHDBNIKLGWAUIH-UHFFFAOYSA-N 1 2 405.498 3.365 40 0 HGABLO CC(C)[N@@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCCC5)C4)[nH]n3c(=O)c2C1 ZINC000019448075 558886768 /nfs/dbraw/zinc/88/67/68/558886768.db2.gz PNBRZUJYFZQURQ-KRWDZBQOSA-N 1 2 411.550 3.098 40 0 HGABLO CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCCC5)C4)[nH]n3c(=O)c2C1 ZINC000019448075 558886770 /nfs/dbraw/zinc/88/67/70/558886770.db2.gz PNBRZUJYFZQURQ-KRWDZBQOSA-N 1 2 411.550 3.098 40 0 HGABLO CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000057822729 558890898 /nfs/dbraw/zinc/89/08/98/558890898.db2.gz ZNOKEYJOLUEHID-UHFFFAOYSA-N 1 2 419.525 3.124 40 0 HGABLO CCc1[nH+]c2cc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2n1CC ZINC000019523210 558904468 /nfs/dbraw/zinc/90/44/68/558904468.db2.gz UFBUIQHBZUKTMV-PEBXRYMYSA-N 1 2 411.506 3.058 40 0 HGABLO CCn1nc(C(C)C)cc1C(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019524123 558905584 /nfs/dbraw/zinc/90/55/84/558905584.db2.gz IHILUSQPNHQBJV-QFIPXVFZSA-N 1 2 420.561 3.307 40 0 HGABLO COc1cccc([C@H](NS(=O)(=O)c2cc(C)c(C)cc2OC)c2[nH+]ccn2C)c1 ZINC000019566988 558926433 /nfs/dbraw/zinc/92/64/33/558926433.db2.gz FRUIDQYJOXSQMF-FQEVSTJZSA-N 1 2 415.515 3.122 40 0 HGABLO COc1ccc(-c2nc3cnccn3c2NCc2ccco2)cc1C[NH+]1CCOCC1 ZINC000072341969 558940053 /nfs/dbraw/zinc/94/00/53/558940053.db2.gz COILDGPJXQVTMD-UHFFFAOYSA-N 1 2 419.485 3.442 40 0 HGABLO COCCOc1ccc(C[N@H+]2C[C@@H]3C(c4ccccc4F)=NO[C@@H]3C2)cc1OC ZINC000072343304 558940921 /nfs/dbraw/zinc/94/09/21/558940921.db2.gz VJZZKAWLTLRZGT-LAUBAEHRSA-N 1 2 400.450 3.094 40 0 HGABLO COCCOc1ccc(C[N@@H+]2C[C@@H]3C(c4ccccc4F)=NO[C@@H]3C2)cc1OC ZINC000072343304 558940923 /nfs/dbraw/zinc/94/09/23/558940923.db2.gz VJZZKAWLTLRZGT-LAUBAEHRSA-N 1 2 400.450 3.094 40 0 HGABLO CN(C)c1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)c2cc[nH]n2)C3)cc1 ZINC000072347141 558943828 /nfs/dbraw/zinc/94/38/28/558943828.db2.gz NTWZZADATWPGQC-UHFFFAOYSA-N 1 2 407.522 3.206 40 0 HGABLO CN(C)c1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)c2ccn[nH]2)C3)cc1 ZINC000072347141 558943832 /nfs/dbraw/zinc/94/38/32/558943832.db2.gz NTWZZADATWPGQC-UHFFFAOYSA-N 1 2 407.522 3.206 40 0 HGABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000019654695 558948032 /nfs/dbraw/zinc/94/80/32/558948032.db2.gz ZYQFOKYZFDUWEL-UHFFFAOYSA-N 1 2 412.515 3.167 40 0 HGABLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019659117 558950728 /nfs/dbraw/zinc/95/07/28/558950728.db2.gz DMJWSOOQFQYUCO-UHFFFAOYSA-N 1 2 413.478 3.221 40 0 HGABLO Cc1cc2[nH]c(CCNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)[nH+]c2cc1C ZINC000019661433 558952481 /nfs/dbraw/zinc/95/24/81/558952481.db2.gz FOTFTXBATZILJF-UHFFFAOYSA-N 1 2 412.877 3.490 40 0 HGABLO CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3[nH]c(C(C)(C)C)[nH+]c3c1)C2=O ZINC000019664942 558955267 /nfs/dbraw/zinc/95/52/67/558955267.db2.gz DLBPAUVUHOKOHB-UHFFFAOYSA-N 1 2 411.506 3.300 40 0 HGABLO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1 ZINC000072374531 558962237 /nfs/dbraw/zinc/96/22/37/558962237.db2.gz HXJAPFAJLOSKKP-FQEVSTJZSA-N 1 2 404.518 3.329 40 0 HGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1ccc(C)cc1OC)C2 ZINC000019707443 558969958 /nfs/dbraw/zinc/96/99/58/558969958.db2.gz FVLQMPRVSAWQOY-FQEVSTJZSA-N 1 2 409.534 3.077 40 0 HGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1ccc(C)cc1OC)C2 ZINC000019707443 558969960 /nfs/dbraw/zinc/96/99/60/558969960.db2.gz FVLQMPRVSAWQOY-FQEVSTJZSA-N 1 2 409.534 3.077 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CC(C)(C)Oc3ccccc31)CC2 ZINC000019716666 558978681 /nfs/dbraw/zinc/97/86/81/558978681.db2.gz ZDJPVVMRCBDHKM-IBGZPJMESA-N 1 2 410.514 3.481 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CC(C)(C)Oc3ccccc31)CC2 ZINC000019716666 558978683 /nfs/dbraw/zinc/97/86/83/558978683.db2.gz ZDJPVVMRCBDHKM-IBGZPJMESA-N 1 2 410.514 3.481 40 0 HGABLO COc1ccc(OC)c(-c2n[nH]c(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)c2C)c1 ZINC000019718135 558981252 /nfs/dbraw/zinc/98/12/52/558981252.db2.gz USZLFBVCHGTJNB-MRXNPFEDSA-N 1 2 409.490 3.151 40 0 HGABLO COc1ccc(OC)c(-c2[nH]nc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)c2C)c1 ZINC000019718135 558981253 /nfs/dbraw/zinc/98/12/53/558981253.db2.gz USZLFBVCHGTJNB-MRXNPFEDSA-N 1 2 409.490 3.151 40 0 HGABLO CC(C)(C)CCNC(=O)[C@H]1C[N@H+](Cc2nc(C(F)(F)F)c[nH]2)CC12CCOCC2 ZINC000585101839 559024943 /nfs/dbraw/zinc/02/49/43/559024943.db2.gz GBLYOJTXRFNKND-CQSZACIVSA-N 1 2 416.488 3.210 40 0 HGABLO CC(C)(C)CCNC(=O)[C@H]1C[N@@H+](Cc2nc(C(F)(F)F)c[nH]2)CC12CCOCC2 ZINC000585101839 559024944 /nfs/dbraw/zinc/02/49/44/559024944.db2.gz GBLYOJTXRFNKND-CQSZACIVSA-N 1 2 416.488 3.210 40 0 HGABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2sc(C)nc2C)CC3)cc1 ZINC000585111034 559031608 /nfs/dbraw/zinc/03/16/08/559031608.db2.gz AZNRGWQDUXLTQP-UHFFFAOYSA-N 1 2 409.515 3.280 40 0 HGABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4nc(Nc5ccccc5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000096252057 559105754 /nfs/dbraw/zinc/10/57/54/559105754.db2.gz FNHSFMACDCSYDN-LEWJYISDSA-N 1 2 420.538 3.425 40 0 HGABLO Cc1cccc(C[N@H+]2C[C@@H]3c4nc(Nc5ccccc5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000096252057 559105755 /nfs/dbraw/zinc/10/57/55/559105755.db2.gz FNHSFMACDCSYDN-LEWJYISDSA-N 1 2 420.538 3.425 40 0 HGABLO Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)cc2)n1 ZINC000139621858 559288980 /nfs/dbraw/zinc/28/89/80/559288980.db2.gz FOYQKMMTIKQSGY-UHFFFAOYSA-N 1 2 418.541 3.310 40 0 HGABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000514288576 560034577 /nfs/dbraw/zinc/03/45/77/560034577.db2.gz BUNSNARGKDSKLL-BEFAXECRSA-N 1 2 420.387 3.152 40 0 biogenic,in-vitro HGABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000514288576 560034578 /nfs/dbraw/zinc/03/45/78/560034578.db2.gz BUNSNARGKDSKLL-BEFAXECRSA-N 1 2 420.387 3.152 40 0 biogenic,in-vitro HGABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000890223 560542395 /nfs/dbraw/zinc/54/23/95/560542395.db2.gz XREVWSXGPTXSQL-FQEVSTJZSA-N 1 2 408.506 3.214 40 0 HGABLO COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104141760 560735257 /nfs/dbraw/zinc/73/52/57/560735257.db2.gz BXXHLOUIOGUWCB-OKYOBFRVSA-N 1 2 408.841 3.028 40 0 HGABLO COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104141760 560735259 /nfs/dbraw/zinc/73/52/59/560735259.db2.gz BXXHLOUIOGUWCB-OKYOBFRVSA-N 1 2 408.841 3.028 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000005444262 560737707 /nfs/dbraw/zinc/73/77/07/560737707.db2.gz NRXFMFVUBVTOIA-QRWLVFNGSA-N 1 2 424.549 3.490 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000005444262 560737708 /nfs/dbraw/zinc/73/77/08/560737708.db2.gz NRXFMFVUBVTOIA-QRWLVFNGSA-N 1 2 424.549 3.490 40 0 HGABLO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)(C3)C2 ZINC000019021196 560871830 /nfs/dbraw/zinc/87/18/30/560871830.db2.gz DCEDRGAKYBGYDT-UWKQIBKCSA-N 1 2 424.520 3.240 40 0 HGABLO OC1CC[NH+]([C@H](c2nnnn2CCc2ccccc2)c2ccc3ncccc3c2)CC1 ZINC000057675080 568493796 /nfs/dbraw/zinc/49/37/96/568493796.db2.gz INNHOOLWWLKXHE-QHCPKHFHSA-N 1 2 414.513 3.010 40 0 HGABLO NC(=O)C1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2ccccc2Cl)CC1 ZINC000057669532 568494392 /nfs/dbraw/zinc/49/43/92/568494392.db2.gz GNDTVIRVLXJSOY-SFHVURJKSA-N 1 2 402.930 3.118 40 0 HGABLO COc1ccccc1N1CC[NH+]([C@H](c2nnnn2Cc2ccc(F)cc2)C(C)C)CC1 ZINC000057670847 568494916 /nfs/dbraw/zinc/49/49/16/568494916.db2.gz JZZOAPVWUDDYMS-QFIPXVFZSA-N 1 2 424.524 3.388 40 0 HGABLO COc1cc(Cl)cc(CN(CC[NH+]2CCOCC2)Cc2cccnc2)c1OC ZINC000022931442 568500841 /nfs/dbraw/zinc/50/08/41/568500841.db2.gz HMUZDMYIELDCGP-UHFFFAOYSA-N 1 2 405.926 3.087 40 0 HGABLO COc1cc(Cl)cc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)c1OC ZINC000022931442 568500842 /nfs/dbraw/zinc/50/08/42/568500842.db2.gz HMUZDMYIELDCGP-UHFFFAOYSA-N 1 2 405.926 3.087 40 0 HGABLO COc1cc(Cl)cc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c1OC ZINC000022931442 568500843 /nfs/dbraw/zinc/50/08/43/568500843.db2.gz HMUZDMYIELDCGP-UHFFFAOYSA-N 1 2 405.926 3.087 40 0 HGABLO CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223192900 568540773 /nfs/dbraw/zinc/54/07/73/568540773.db2.gz AKWGVBPBAONUNA-LEWJYISDSA-N 1 2 413.591 3.159 40 0 HGABLO COc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000224250048 568575357 /nfs/dbraw/zinc/57/53/57/568575357.db2.gz ZFJLMODDVKBFLI-UHFFFAOYSA-N 1 2 403.442 3.262 40 0 HGABLO O=C1CCCN1c1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778842 568674266 /nfs/dbraw/zinc/67/42/66/568674266.db2.gz PZOAEISFBZMTOG-UHFFFAOYSA-N 1 2 424.570 3.132 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@]12CCCO2 ZINC000257229934 568784955 /nfs/dbraw/zinc/78/49/55/568784955.db2.gz GABWMHINMSGXNI-NQIIRXRSSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@]12CCCO2 ZINC000257229934 568784957 /nfs/dbraw/zinc/78/49/57/568784957.db2.gz GABWMHINMSGXNI-NQIIRXRSSA-N 1 2 419.522 3.081 40 0 HGABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4ccccn4)CCO3)c2)n1 ZINC000257237578 568786918 /nfs/dbraw/zinc/78/69/18/568786918.db2.gz HHCSGNCILAHMDN-FQEVSTJZSA-N 1 2 404.474 3.149 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@@]12CCCO2 ZINC000257238042 568787021 /nfs/dbraw/zinc/78/70/21/568787021.db2.gz HJIXAHIEYIXQGH-UTKZUKDTSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@@]12CCCO2 ZINC000257238042 568787023 /nfs/dbraw/zinc/78/70/23/568787023.db2.gz HJIXAHIEYIXQGH-UTKZUKDTSA-N 1 2 419.522 3.466 40 0 HGABLO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)Cc1cccnc1 ZINC000257315066 568808787 /nfs/dbraw/zinc/80/87/87/568808787.db2.gz UZTNHDJRWMHRTD-OAQYLSRUSA-N 1 2 404.514 3.498 40 0 HGABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)Cc1cccnc1 ZINC000257315066 568808789 /nfs/dbraw/zinc/80/87/89/568808789.db2.gz UZTNHDJRWMHRTD-OAQYLSRUSA-N 1 2 404.514 3.498 40 0 HGABLO COc1ccc(CCC(=O)N2CC[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1 ZINC000257322082 568810994 /nfs/dbraw/zinc/81/09/94/568810994.db2.gz WENRSAZUOXHECE-GOSISDBHSA-N 1 2 403.486 3.078 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@]12CCCO2 ZINC000257329624 568812964 /nfs/dbraw/zinc/81/29/64/568812964.db2.gz XKTLYFYXNQXFBZ-GHTZIAJQSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@]12CCCO2 ZINC000257329624 568812965 /nfs/dbraw/zinc/81/29/65/568812965.db2.gz XKTLYFYXNQXFBZ-GHTZIAJQSA-N 1 2 419.522 3.081 40 0 HGABLO Cc1cc(OCC(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c2ccccc2[nH+]1 ZINC000257342861 568816966 /nfs/dbraw/zinc/81/69/66/568816966.db2.gz ZQKIAQZMMPNYCW-UPVQGACJSA-N 1 2 406.482 3.353 40 0 HGABLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cn1 ZINC000306131179 568893495 /nfs/dbraw/zinc/89/34/95/568893495.db2.gz JYFAAZOPCFRDAU-IRLDBZIGSA-N 1 2 408.527 3.281 40 0 HGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cn1 ZINC000306131179 568893497 /nfs/dbraw/zinc/89/34/97/568893497.db2.gz JYFAAZOPCFRDAU-IRLDBZIGSA-N 1 2 408.527 3.281 40 0 HGABLO O=C(c1ccoc1)N1CCN(CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)[nH+]2)C1 ZINC000306131662 568893976 /nfs/dbraw/zinc/89/39/76/568893976.db2.gz KLNQGWFUFUMPHB-NRFANRHFSA-N 1 2 419.529 3.437 40 0 HGABLO Cc1cnc(C(=O)N2Cc3ccccc3[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)cn1 ZINC000306142347 568903944 /nfs/dbraw/zinc/90/39/44/568903944.db2.gz WWMYNIZFMPIHHB-NRFANRHFSA-N 1 2 410.481 3.213 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(C[N@H+](Cc4c[nH]nc4C)CC(F)(F)C3)C2=O)c1 ZINC000306143500 568904996 /nfs/dbraw/zinc/90/49/96/568904996.db2.gz YDTHIWHKWDPLIU-OAQYLSRUSA-N 1 2 418.488 3.377 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(C[N@@H+](Cc4c[nH]nc4C)CC(F)(F)C3)C2=O)c1 ZINC000306143500 568904998 /nfs/dbraw/zinc/90/49/98/568904998.db2.gz YDTHIWHKWDPLIU-OAQYLSRUSA-N 1 2 418.488 3.377 40 0 HGABLO OCCCNc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328960420 568969805 /nfs/dbraw/zinc/96/98/05/568969805.db2.gz AXSKINSPIPZNTK-UHFFFAOYSA-N 1 2 424.448 3.354 40 0 HGABLO CNc1nc(Nc2ccccc2I)cc(-c2ccccc2)[nH+]1 ZINC000329031699 568973785 /nfs/dbraw/zinc/97/37/85/568973785.db2.gz QJSMVJMNWCZCOV-UHFFFAOYSA-N 1 2 402.239 3.377 40 0 HGABLO O=S1(=O)C[C@H]([N@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)[C@H](O)C1 ZINC000575423369 569026441 /nfs/dbraw/zinc/02/64/41/569026441.db2.gz ZYFOLGCUEUKEHV-XZOQPEGZSA-N 1 2 407.535 3.436 40 0 HGABLO O=S1(=O)C[C@H]([N@@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)[C@H](O)C1 ZINC000575423369 569026442 /nfs/dbraw/zinc/02/64/42/569026442.db2.gz ZYFOLGCUEUKEHV-XZOQPEGZSA-N 1 2 407.535 3.436 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245229608 569313809 /nfs/dbraw/zinc/31/38/09/569313809.db2.gz BUKVTGGQIXTIFJ-QDMVCWPOSA-N 1 2 420.509 3.465 40 0 HGABLO COc1cccc([C@]2(O)CCC[C@H]3CN(C(=O)c4ccc(Cn5cc[nH+]c5)o4)C[C@H]32)c1 ZINC000248251760 569316689 /nfs/dbraw/zinc/31/66/89/569316689.db2.gz PUOVVUAOMKNVBT-XVWGUNQUSA-N 1 2 421.497 3.293 40 0 HGABLO Cc1nnc2n1C[C@H](c1cccc(NC(=O)Cc3c(C)[nH+]c4ccccn43)c1)CC2 ZINC000019698185 569346887 /nfs/dbraw/zinc/34/68/87/569346887.db2.gz QQERENKWFYTIPH-GOSISDBHSA-N 1 2 400.486 3.454 40 0 HGABLO O=C(C[N@H+]1CC[C@@H](c2cc(COc3cccc(F)c3)n[nH]2)C1)NC1CCCCC1 ZINC000019738949 569348692 /nfs/dbraw/zinc/34/86/92/569348692.db2.gz WUFGHLVCPNVGDZ-MRXNPFEDSA-N 1 2 400.498 3.366 40 0 HGABLO O=C(C[N@@H+]1CC[C@@H](c2cc(COc3cccc(F)c3)n[nH]2)C1)NC1CCCCC1 ZINC000019738949 569348693 /nfs/dbraw/zinc/34/86/93/569348693.db2.gz WUFGHLVCPNVGDZ-MRXNPFEDSA-N 1 2 400.498 3.366 40 0 HGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cccn1C ZINC000261363403 569413509 /nfs/dbraw/zinc/41/35/09/569413509.db2.gz HCWHXLCBRQPFJW-HXUWFJFHSA-O 1 2 410.523 3.281 40 0 HGABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccnc1 ZINC000261362498 569413613 /nfs/dbraw/zinc/41/36/13/569413613.db2.gz DLGMKPLHYLJRRL-HXUWFJFHSA-O 1 2 408.507 3.337 40 0 HGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1OC ZINC000261365969 569413709 /nfs/dbraw/zinc/41/37/09/569413709.db2.gz WQPQAUQOLVMGMT-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000019700906 569428737 /nfs/dbraw/zinc/42/87/37/569428737.db2.gz KVVIRHRSKQCORD-VWLOTQADSA-N 1 2 419.500 3.351 40 0 HGABLO O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000019700906 569428738 /nfs/dbraw/zinc/42/87/38/569428738.db2.gz KVVIRHRSKQCORD-VWLOTQADSA-N 1 2 419.500 3.351 40 0 HGABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]3F)nc2c1 ZINC000096112374 291236288 /nfs/dbraw/zinc/23/62/88/291236288.db2.gz IFWIZRQZYZBIAO-APWZRJJASA-N 1 2 401.413 3.228 40 0 biogenic,in-vitro HGABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]3F)nc2c1 ZINC000096112374 291236292 /nfs/dbraw/zinc/23/62/92/291236292.db2.gz IFWIZRQZYZBIAO-APWZRJJASA-N 1 2 401.413 3.228 40 0 biogenic,in-vitro HGABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4cccc(F)c4)C[N@@H+]3C)n2)cc1 ZINC000012529921 291239721 /nfs/dbraw/zinc/23/97/21/291239721.db2.gz PCNNBEISJSEUOK-WMZOPIPTSA-N 1 2 411.437 3.451 40 0 biogenic,in-vitro HGABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4cccc(F)c4)C[N@H+]3C)n2)cc1 ZINC000012529921 291239723 /nfs/dbraw/zinc/23/97/23/291239723.db2.gz PCNNBEISJSEUOK-WMZOPIPTSA-N 1 2 411.437 3.451 40 0 biogenic,in-vitro HGABLO C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000253398350 291241448 /nfs/dbraw/zinc/24/14/48/291241448.db2.gz HAFAYRQUFZPPNQ-AWEZNQCLSA-N 1 2 412.877 3.406 40 0 biogenic,in-vitro HGABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015675914 291242052 /nfs/dbraw/zinc/24/20/52/291242052.db2.gz CTAIHYNDJUBDIN-SFHVURJKSA-N 1 2 401.430 3.495 40 0 biogenic,in-vitro HGABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015675914 291242056 /nfs/dbraw/zinc/24/20/56/291242056.db2.gz CTAIHYNDJUBDIN-SFHVURJKSA-N 1 2 401.430 3.495 40 0 biogenic,in-vitro HGABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(-c3ccc4c(c3)OCO4)no1)N(Cc1ccccc1)C2 ZINC000015707219 291246221 /nfs/dbraw/zinc/24/62/21/291246221.db2.gz LXUIUWQLTLURPW-SFHVURJKSA-N 1 2 401.426 3.488 40 0 biogenic,in-vitro HGABLO CC(C)n1c(C[N@@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)nc2ccccc21 ZINC000012116271 132354235 /nfs/dbraw/zinc/35/42/35/132354235.db2.gz APEIYVBIJNDPHN-UHFFFAOYSA-N 1 2 420.561 3.495 40 0 HGABLO CC(C)n1c(C[N@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)nc2ccccc21 ZINC000012116271 132354236 /nfs/dbraw/zinc/35/42/36/132354236.db2.gz APEIYVBIJNDPHN-UHFFFAOYSA-N 1 2 420.561 3.495 40 0 HGABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c(Cl)c1 ZINC000020799985 525198824 /nfs/dbraw/zinc/19/88/24/525198824.db2.gz OLPTZZVZLAJYGG-GFCCVEGCSA-N 1 2 414.897 3.075 40 0 HGABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762387 558277179 /nfs/dbraw/zinc/27/71/79/558277179.db2.gz GNDSKHGXIQXXGZ-JOCHJYFZSA-N 1 2 407.518 3.301 40 0 HGABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762387 558277180 /nfs/dbraw/zinc/27/71/80/558277180.db2.gz GNDSKHGXIQXXGZ-JOCHJYFZSA-N 1 2 407.518 3.301 40 0 HGABLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(C)ncc3-c3cc(C)no3)C2)n1 ZINC000012118497 558329851 /nfs/dbraw/zinc/32/98/51/558329851.db2.gz JSFRIKFIZSXMST-OAHLLOKOSA-N 1 2 412.519 3.331 40 0 HGABLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(C)ncc3-c3cc(C)no3)C2)n1 ZINC000012118497 558329852 /nfs/dbraw/zinc/32/98/52/558329852.db2.gz JSFRIKFIZSXMST-OAHLLOKOSA-N 1 2 412.519 3.331 40 0 HGABLO CC(C)n1c(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)nc2ccccc21 ZINC000012120716 558330598 /nfs/dbraw/zinc/33/05/98/558330598.db2.gz PCJWYGGOKIKNDR-UHFFFAOYSA-N 1 2 400.486 3.321 40 0 HGABLO CC(C)n1c(C[N@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)nc2ccccc21 ZINC000012120716 558330600 /nfs/dbraw/zinc/33/06/00/558330600.db2.gz PCJWYGGOKIKNDR-UHFFFAOYSA-N 1 2 400.486 3.321 40 0 HGABLO O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022235545 558470538 /nfs/dbraw/zinc/47/05/38/558470538.db2.gz UUDLSLITXNQYAQ-WEVVVXLNSA-N 1 2 413.521 3.419 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3cccc(Cl)c3C)C1=O)CC2 ZINC000022609383 558501123 /nfs/dbraw/zinc/50/11/23/558501123.db2.gz NVDKPSOQHMOHRC-GOSISDBHSA-N 1 2 414.889 3.356 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3cccc(Cl)c3C)C1=O)CC2 ZINC000022609383 558501125 /nfs/dbraw/zinc/50/11/25/558501125.db2.gz NVDKPSOQHMOHRC-GOSISDBHSA-N 1 2 414.889 3.356 40 0 HGABLO C[C@@H](Oc1ccccc1F)C(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019079089 558838810 /nfs/dbraw/zinc/83/88/10/558838810.db2.gz UZIBAIJZACQJMX-GCJKJVERSA-N 1 2 422.504 3.260 40 0 HGABLO C[C@H](Oc1cccc(F)c1)C(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019079081 558838839 /nfs/dbraw/zinc/83/88/39/558838839.db2.gz ROXDDMLFTRKKQE-AVRDEDQJSA-N 1 2 422.504 3.260 40 0 HGABLO Cc1cc(N2CCN(C(=O)c3ccccc3Cn3cncn3)CC2)[nH+]c2ccccc12 ZINC000019118985 558842587 /nfs/dbraw/zinc/84/25/87/558842587.db2.gz GSQAFIZVJDREFB-UHFFFAOYSA-N 1 2 412.497 3.145 40 0 HGABLO Cc1cc(C)n(-c2ccc(CCC(=O)N3CC[NH+](Cc4ncccc4C)CC3)cc2)n1 ZINC000019237807 558856970 /nfs/dbraw/zinc/85/69/70/558856970.db2.gz XWSQRESLBHSMGR-UHFFFAOYSA-N 1 2 417.557 3.470 40 0 HGABLO CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)c1C ZINC000019524005 558905308 /nfs/dbraw/zinc/90/53/08/558905308.db2.gz CUHIERRZNBTRDK-OAHLLOKOSA-N 1 2 407.565 3.106 40 0 HGABLO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1 ZINC000019565147 558925207 /nfs/dbraw/zinc/92/52/07/558925207.db2.gz KSDYUHRDWJSARU-IBGZPJMESA-N 1 2 406.486 3.388 40 0 HGABLO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1 ZINC000019565147 558925211 /nfs/dbraw/zinc/92/52/11/558925211.db2.gz KSDYUHRDWJSARU-IBGZPJMESA-N 1 2 406.486 3.388 40 0 HGABLO COc1ccc([C@@H](CN(C)C(=O)Cc2ccc(OC)c(C)c2)[NH+]2CCOCC2)cc1 ZINC000019571000 558929761 /nfs/dbraw/zinc/92/97/61/558929761.db2.gz LSAUKYAYBDADIT-JOCHJYFZSA-N 1 2 412.530 3.087 40 0 HGABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCc2c(=O)[nH]c(N3CCC[C@H](C)C3)nc2C1 ZINC000072335629 558936507 /nfs/dbraw/zinc/93/65/07/558936507.db2.gz BLVPILPYUBVKCQ-AWEZNQCLSA-N 1 2 409.509 3.493 40 0 HGABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCc2c(=O)[nH]c(N3CCC[C@H](C)C3)nc2C1 ZINC000072335629 558936509 /nfs/dbraw/zinc/93/65/09/558936509.db2.gz BLVPILPYUBVKCQ-AWEZNQCLSA-N 1 2 409.509 3.493 40 0 HGABLO COCCOc1ccc(C[N@@H+]2C[C@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC ZINC000072343303 558940901 /nfs/dbraw/zinc/94/09/01/558940901.db2.gz VJZZKAWLTLRZGT-DYESRHJHSA-N 1 2 400.450 3.094 40 0 HGABLO COCCOc1ccc(C[N@H+]2C[C@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC ZINC000072343303 558940903 /nfs/dbraw/zinc/94/09/03/558940903.db2.gz VJZZKAWLTLRZGT-DYESRHJHSA-N 1 2 400.450 3.094 40 0 HGABLO COCCNc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019593590 558944597 /nfs/dbraw/zinc/94/45/97/558944597.db2.gz MSKXTNXVHQQWCP-UHFFFAOYSA-N 1 2 405.502 3.164 40 0 HGABLO COCCNc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000019593590 558944599 /nfs/dbraw/zinc/94/45/99/558944599.db2.gz MSKXTNXVHQQWCP-UHFFFAOYSA-N 1 2 405.502 3.164 40 0 HGABLO Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2ccccc2n1 ZINC000019664271 558954867 /nfs/dbraw/zinc/95/48/67/558954867.db2.gz RCQPTENPIYZDSD-UHFFFAOYSA-N 1 2 404.499 3.332 40 0 HGABLO Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2ccccc2n1 ZINC000019664271 558954869 /nfs/dbraw/zinc/95/48/69/558954869.db2.gz RCQPTENPIYZDSD-UHFFFAOYSA-N 1 2 404.499 3.332 40 0 HGABLO COc1cccc(-c2cncc([C@@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072359417 558955001 /nfs/dbraw/zinc/95/50/01/558955001.db2.gz RITPDLLERZFTLR-MRXNPFEDSA-N 1 2 409.515 3.427 40 0 HGABLO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072359417 558955002 /nfs/dbraw/zinc/95/50/02/558955002.db2.gz RITPDLLERZFTLR-MRXNPFEDSA-N 1 2 409.515 3.427 40 0 HGABLO CCOCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(NC)n2)C[N@H+](C)CC3)cc1 ZINC000072372313 558959692 /nfs/dbraw/zinc/95/96/92/558959692.db2.gz GIHCPBNDPXRRBI-NRFANRHFSA-N 1 2 423.561 3.410 40 0 HGABLO CCOCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(NC)n2)C[N@@H+](C)CC3)cc1 ZINC000072372313 558959694 /nfs/dbraw/zinc/95/96/94/558959694.db2.gz GIHCPBNDPXRRBI-NRFANRHFSA-N 1 2 423.561 3.410 40 0 HGABLO COCC[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 ZINC000019695965 558964342 /nfs/dbraw/zinc/96/43/42/558964342.db2.gz JAEJSNVFKHVPAB-NRFANRHFSA-N 1 2 408.546 3.480 40 0 HGABLO COCC[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 ZINC000019695965 558964344 /nfs/dbraw/zinc/96/43/44/558964344.db2.gz JAEJSNVFKHVPAB-NRFANRHFSA-N 1 2 408.546 3.480 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377019 558966279 /nfs/dbraw/zinc/96/62/79/558966279.db2.gz USYZIGVFVOCCBW-GOSISDBHSA-N 1 2 406.465 3.426 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377019 558966282 /nfs/dbraw/zinc/96/62/82/558966282.db2.gz USYZIGVFVOCCBW-GOSISDBHSA-N 1 2 406.465 3.426 40 0 HGABLO Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ncn2)s1 ZINC000585291537 559123823 /nfs/dbraw/zinc/12/38/23/559123823.db2.gz RLQNGILOXZAQCT-MBVDDHJVSA-N 1 2 409.519 3.203 40 0 HGABLO [NH3+][C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ncccn3)n2)CC1)c1ccccc1 ZINC000100708858 559138186 /nfs/dbraw/zinc/13/81/86/559138186.db2.gz NMJOVTIISUQYDJ-QKLQHJQFSA-N 1 2 417.517 3.100 40 0 HGABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000138738098 559287280 /nfs/dbraw/zinc/28/72/80/559287280.db2.gz UPVXRZXAZJOAQF-FCGDIQPGSA-N 1 2 412.848 3.314 40 0 HGABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000138738098 559287282 /nfs/dbraw/zinc/28/72/82/559287282.db2.gz UPVXRZXAZJOAQF-FCGDIQPGSA-N 1 2 412.848 3.314 40 0 HGABLO CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCC[NH+]1CCOCC1)CC2 ZINC000020504649 560093609 /nfs/dbraw/zinc/09/36/09/560093609.db2.gz ORPHMWVSMAONSS-AZUAARDMSA-N 1 2 402.579 3.282 40 0 biogenic,in-vitro HGABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000908890 560545889 /nfs/dbraw/zinc/54/58/89/560545889.db2.gz IYWAEUYDSUXXHT-NRFANRHFSA-N 1 2 418.476 3.196 40 0 HGABLO COc1ccc([C@@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 ZINC000009262568 560758256 /nfs/dbraw/zinc/75/82/56/560758256.db2.gz CDNHGMAUUMWXGQ-OAQYLSRUSA-N 1 2 414.469 3.381 40 0 HGABLO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000016429068 560860533 /nfs/dbraw/zinc/86/05/33/560860533.db2.gz WHBXDZMBDCQVOL-UHFFFAOYSA-N 1 2 415.342 3.379 40 0 HGABLO NC(=O)C1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000057669515 568494374 /nfs/dbraw/zinc/49/43/74/568494374.db2.gz MCNQALHYXJINQS-SFHVURJKSA-N 1 2 402.930 3.118 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc(OC)ccc1OC)[NH+]1CCC(C(N)=O)CC1 ZINC000057669975 568494545 /nfs/dbraw/zinc/49/45/45/568494545.db2.gz LUNIFHKVHQWWHP-SFHVURJKSA-N 1 2 416.526 3.172 40 0 HGABLO CC(C)[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057671166 568494961 /nfs/dbraw/zinc/49/49/61/568494961.db2.gz DUPRNXBIFIDXQG-IBGZPJMESA-N 1 2 400.914 3.487 40 0 HGABLO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)[N@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000101242152 568506881 /nfs/dbraw/zinc/50/68/81/568506881.db2.gz DNFVZNPHOQSYCX-NMLBUPMWSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)[N@@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000101242152 568506883 /nfs/dbraw/zinc/50/68/83/568506883.db2.gz DNFVZNPHOQSYCX-NMLBUPMWSA-N 1 2 408.885 3.484 40 0 HGABLO O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033370315 568514359 /nfs/dbraw/zinc/51/43/59/568514359.db2.gz IPYORVPWOXDUSZ-YRXWBPOGSA-N 1 2 412.848 3.314 40 0 HGABLO O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033370315 568514360 /nfs/dbraw/zinc/51/43/60/568514360.db2.gz IPYORVPWOXDUSZ-YRXWBPOGSA-N 1 2 412.848 3.314 40 0 HGABLO COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000222926360 568531119 /nfs/dbraw/zinc/53/11/19/568531119.db2.gz PSYIHCYZUTWCBM-UHFFFAOYSA-N 1 2 403.442 3.262 40 0 HGABLO CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223192775 568540696 /nfs/dbraw/zinc/54/06/96/568540696.db2.gz AKWGVBPBAONUNA-NHCUHLMSSA-N 1 2 413.591 3.159 40 0 HGABLO CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223192959 568540776 /nfs/dbraw/zinc/54/07/76/568540776.db2.gz AKWGVBPBAONUNA-SFTDATJTSA-N 1 2 413.591 3.159 40 0 HGABLO C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225650022 568660016 /nfs/dbraw/zinc/66/00/16/568660016.db2.gz XSTCSVUSEOSDIB-GOSISDBHSA-N 1 2 422.525 3.406 40 0 HGABLO C[N@@H+]1CC[C@H](c2c(=O)cc(O)c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@@H](O)C1 ZINC000018825328 568741471 /nfs/dbraw/zinc/74/14/71/568741471.db2.gz BIIVYFLTOXDAOV-SJCJKPOMSA-N 1 2 401.846 3.305 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@]12CCCO2 ZINC000257238041 568787152 /nfs/dbraw/zinc/78/71/52/568787152.db2.gz HJIXAHIEYIXQGH-LAUBAEHRSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@]12CCCO2 ZINC000257238041 568787154 /nfs/dbraw/zinc/78/71/54/568787154.db2.gz HJIXAHIEYIXQGH-LAUBAEHRSA-N 1 2 419.522 3.466 40 0 HGABLO CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)Cn4cc[nH+]c4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257259994 568792846 /nfs/dbraw/zinc/79/28/46/568792846.db2.gz LAYASQPMZSIEKO-LYVDORBWSA-N 1 2 420.557 3.275 40 0 HGABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)c1 ZINC000257274268 568796926 /nfs/dbraw/zinc/79/69/26/568796926.db2.gz NKGOKFHYGSEICL-NRFANRHFSA-N 1 2 421.501 3.344 40 0 HGABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)c1 ZINC000257274268 568796928 /nfs/dbraw/zinc/79/69/28/568796928.db2.gz NKGOKFHYGSEICL-NRFANRHFSA-N 1 2 421.501 3.344 40 0 HGABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4n[nH]c5ccccc54)C3)n2)n1C ZINC000257275206 568797081 /nfs/dbraw/zinc/79/70/81/568797081.db2.gz NOIOMBHKFGRRPY-HNNXBMFYSA-N 1 2 401.474 3.082 40 0 HGABLO Cc1cc(Nc2[nH+]cccc2C)cc([C@H]2CN(CC(=O)N3CCC(C)CC3)CCO2)n1 ZINC000257317072 568809427 /nfs/dbraw/zinc/80/94/27/568809427.db2.gz VIGDJAYRUBXPBM-JOCHJYFZSA-N 1 2 423.561 3.469 40 0 HGABLO COc1ccc(C2(C(=O)N3CCC(C)(c4cc(N)nc(C)[nH+]4)CC3)CCOCC2)cc1 ZINC000257334633 568814368 /nfs/dbraw/zinc/81/43/68/568814368.db2.gz YGSVRUOQMCODKJ-UHFFFAOYSA-N 1 2 424.545 3.004 40 0 HGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)cc1 ZINC000261362872 568819394 /nfs/dbraw/zinc/81/93/94/568819394.db2.gz NFCIXJSHBNPXMC-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4ccoc4)CCN3C)nnn2c1 ZINC000306124729 568887648 /nfs/dbraw/zinc/88/76/48/568887648.db2.gz BXWDRXTYFIQBIX-OAQYLSRUSA-N 1 2 403.486 3.487 40 0 HGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4ccoc4)CCN3C)nnn2c1 ZINC000306124729 568887649 /nfs/dbraw/zinc/88/76/49/568887649.db2.gz BXWDRXTYFIQBIX-OAQYLSRUSA-N 1 2 403.486 3.487 40 0 HGABLO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccccn5)CC4)nccn23)c1 ZINC000306125341 568888249 /nfs/dbraw/zinc/88/82/49/568888249.db2.gz CMYIGHDZGORMIT-UHFFFAOYSA-N 1 2 400.486 3.122 40 0 HGABLO CC(C)CC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000306129271 568891861 /nfs/dbraw/zinc/89/18/61/568891861.db2.gz HZCUCEYLVHKSJJ-RDPSFJRHSA-N 1 2 423.561 3.250 40 0 HGABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cccnc5)CCO4)nnn3c2)cc1 ZINC000306130776 568893230 /nfs/dbraw/zinc/89/32/30/568893230.db2.gz JPBXXMKKQKJBFM-JOCHJYFZSA-N 1 2 401.470 3.373 40 0 HGABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccnc5)CCO4)nnn3c2)cc1 ZINC000306130776 568893232 /nfs/dbraw/zinc/89/32/32/568893232.db2.gz JPBXXMKKQKJBFM-JOCHJYFZSA-N 1 2 401.470 3.373 40 0 HGABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306136227 568897896 /nfs/dbraw/zinc/89/78/96/568897896.db2.gz PNNBQELDCGKANH-WMZHIEFXSA-N 1 2 420.490 3.233 40 0 HGABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306136227 568897898 /nfs/dbraw/zinc/89/78/98/568897898.db2.gz PNNBQELDCGKANH-WMZHIEFXSA-N 1 2 420.490 3.233 40 0 HGABLO O=C([C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000306137354 568899181 /nfs/dbraw/zinc/89/91/81/568899181.db2.gz QUDHYGRNJCQQJH-KRWDZBQOSA-N 1 2 405.477 3.065 40 0 HGABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccc(O)c(F)c1)CCO2 ZINC000306142698 568904392 /nfs/dbraw/zinc/90/43/92/568904392.db2.gz XGPAYDPXDQCLND-WIYYLYMNSA-N 1 2 419.522 3.240 40 0 HGABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(O)c(F)c1)CCO2 ZINC000306142698 568904393 /nfs/dbraw/zinc/90/43/93/568904393.db2.gz XGPAYDPXDQCLND-WIYYLYMNSA-N 1 2 419.522 3.240 40 0 HGABLO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5cccc(Cl)c5)CC4)nccn23)cn1 ZINC000306143028 568904795 /nfs/dbraw/zinc/90/47/95/568904795.db2.gz XRFWLDZEGRTBPF-UHFFFAOYSA-N 1 2 407.909 3.105 40 0 HGABLO OCCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328978843 568970831 /nfs/dbraw/zinc/97/08/31/568970831.db2.gz GCRTWNFQEXMOQT-UHFFFAOYSA-N 1 2 417.229 3.127 40 0 HGABLO OCCCNc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328982362 568971292 /nfs/dbraw/zinc/97/12/92/568971292.db2.gz GZGVNHRNJRYSMK-UHFFFAOYSA-N 1 2 413.319 3.156 40 0 HGABLO OCCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328991905 568971554 /nfs/dbraw/zinc/97/15/54/568971554.db2.gz ISUCQELJSWDWEO-UHFFFAOYSA-N 1 2 403.255 3.037 40 0 HGABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCO)n2)cc1 ZINC000329070241 568975785 /nfs/dbraw/zinc/97/57/85/568975785.db2.gz ZFIBJVWKQFBAFJ-UHFFFAOYSA-N 1 2 418.419 3.211 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cn(C)c2ccccc12 ZINC000261363670 569413600 /nfs/dbraw/zinc/41/36/00/569413600.db2.gz VPJNUOGQLLVVPQ-NRFANRHFSA-O 1 2 418.502 3.264 40 0 HGABLO CCOc1ccccc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364553 569413695 /nfs/dbraw/zinc/41/36/95/569413695.db2.gz MDAZRIWBKLNHJG-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@@H+]21 ZINC000253398044 291233128 /nfs/dbraw/zinc/23/31/28/291233128.db2.gz GKVNPZQEXWCSSO-QFIPXVFZSA-N 1 2 410.537 3.316 40 0 biogenic,in-vitro HGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@H+]21 ZINC000253398044 291233129 /nfs/dbraw/zinc/23/31/29/291233129.db2.gz GKVNPZQEXWCSSO-QFIPXVFZSA-N 1 2 410.537 3.316 40 0 biogenic,in-vitro HGABLO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)cn1 ZINC000035425646 291236569 /nfs/dbraw/zinc/23/65/69/291236569.db2.gz HGLVIUUTIRXXHI-KRWDZBQOSA-N 1 2 411.437 3.193 40 0 biogenic,in-vitro HGABLO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)cn1 ZINC000035425646 291236571 /nfs/dbraw/zinc/23/65/71/291236571.db2.gz HGLVIUUTIRXXHI-KRWDZBQOSA-N 1 2 411.437 3.193 40 0 biogenic,in-vitro HGABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096111932 291236580 /nfs/dbraw/zinc/23/65/80/291236580.db2.gz CXZLULYBAQTYQU-UGKGYDQZSA-N 1 2 403.482 3.250 40 0 biogenic,in-vitro HGABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096111932 291236583 /nfs/dbraw/zinc/23/65/83/291236583.db2.gz CXZLULYBAQTYQU-UGKGYDQZSA-N 1 2 403.482 3.250 40 0 biogenic,in-vitro HGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020139875 521372785 /nfs/dbraw/zinc/37/27/85/521372785.db2.gz AHYKQSXMPUJDSR-HXUWFJFHSA-N 1 2 414.554 3.062 40 0 HGABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000004885770 557609922 /nfs/dbraw/zinc/60/99/22/557609922.db2.gz KIGAHMOFTZZRJP-AZXNSQLWSA-N 1 2 406.482 3.075 40 0 HGABLO Cc1nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741650 558262254 /nfs/dbraw/zinc/26/22/54/558262254.db2.gz NTZIRZDCRINFRC-LJQANCHMSA-N 1 2 416.529 3.367 40 0 HGABLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741650 558262255 /nfs/dbraw/zinc/26/22/55/558262255.db2.gz NTZIRZDCRINFRC-LJQANCHMSA-N 1 2 416.529 3.367 40 0 HGABLO Cc1nc([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741650 558262256 /nfs/dbraw/zinc/26/22/56/558262256.db2.gz NTZIRZDCRINFRC-LJQANCHMSA-N 1 2 416.529 3.367 40 0 HGABLO COc1cc2c(cc1C[N@@H+]1CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C1)OCO2 ZINC000012219925 558355214 /nfs/dbraw/zinc/35/52/14/558355214.db2.gz GMIGRMGXUNZYAR-UHFFFAOYSA-N 1 2 410.474 3.028 40 0 HGABLO COc1cc2c(cc1C[N@H+]1CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C1)OCO2 ZINC000012219925 558355215 /nfs/dbraw/zinc/35/52/15/558355215.db2.gz GMIGRMGXUNZYAR-UHFFFAOYSA-N 1 2 410.474 3.028 40 0 HGABLO CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022438149 558489741 /nfs/dbraw/zinc/48/97/41/558489741.db2.gz ACMIKAONQPHHDP-UHFFFAOYSA-N 1 2 413.543 3.434 40 0 HGABLO CNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000024755129 558610198 /nfs/dbraw/zinc/61/01/98/558610198.db2.gz JSOGDPLEGWEVBY-GOSISDBHSA-N 1 2 414.513 3.153 40 0 HGABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1I ZINC000030851424 558740052 /nfs/dbraw/zinc/74/00/52/558740052.db2.gz CKIKDMJXCBVYKR-UHFFFAOYSA-N 1 2 403.223 3.407 40 0 HGABLO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019022467 558838088 /nfs/dbraw/zinc/83/80/88/558838088.db2.gz BXCCODHGADINKK-MRXNPFEDSA-N 1 2 421.950 3.477 40 0 HGABLO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019022467 558838090 /nfs/dbraw/zinc/83/80/90/558838090.db2.gz BXCCODHGADINKK-MRXNPFEDSA-N 1 2 421.950 3.477 40 0 HGABLO C[C@@H](Oc1ccccc1F)C(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019079095 558838751 /nfs/dbraw/zinc/83/87/51/558838751.db2.gz UZIBAIJZACQJMX-XMSQKQJNSA-N 1 2 422.504 3.260 40 0 HGABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC3)cn1 ZINC000019239069 558857718 /nfs/dbraw/zinc/85/77/18/558857718.db2.gz NIKXWKYPEGLFRU-UHFFFAOYSA-N 1 2 402.285 3.400 40 0 HGABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC3)cn1 ZINC000019239069 558857720 /nfs/dbraw/zinc/85/77/20/558857720.db2.gz NIKXWKYPEGLFRU-UHFFFAOYSA-N 1 2 402.285 3.400 40 0 HGABLO c1nn2cc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cnc2c1-c1ccncc1 ZINC000013819818 558884985 /nfs/dbraw/zinc/88/49/85/558884985.db2.gz OOQJIJYKWXLQNC-UHFFFAOYSA-N 1 2 401.470 3.169 40 0 HGABLO CC(C)OCc1ccc(C(=O)N2CCN([C@H](c3[nH+]ccn3C)c3ccccc3)CC2)o1 ZINC000019450474 558888851 /nfs/dbraw/zinc/88/88/51/558888851.db2.gz ITQVKAWVYLVDDP-QFIPXVFZSA-N 1 2 422.529 3.486 40 0 HGABLO CC(=O)N1c2ccc(C(=O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C ZINC000057811756 558890880 /nfs/dbraw/zinc/89/08/80/558890880.db2.gz GXXBCURFGLUPKW-INIZCTEOSA-N 1 2 410.489 3.290 40 0 HGABLO COc1ccc(C2=NO[C@@](C)(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)C2)cc1 ZINC000019460853 558893630 /nfs/dbraw/zinc/89/36/30/558893630.db2.gz QCTPUKWTISZPHF-NFBKMPQASA-N 1 2 422.460 3.357 40 0 HGABLO COc1cc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc(OC)c1OC ZINC000019549870 558914586 /nfs/dbraw/zinc/91/45/86/558914586.db2.gz VTNFKHUMYKJXSG-LJQANCHMSA-N 1 2 411.458 3.336 40 0 HGABLO COc1cc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc(OC)c1OC ZINC000019549870 558914588 /nfs/dbraw/zinc/91/45/88/558914588.db2.gz VTNFKHUMYKJXSG-LJQANCHMSA-N 1 2 411.458 3.336 40 0 HGABLO O=C(C1CC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCCC2)CC4)CC1 ZINC000072330524 558934810 /nfs/dbraw/zinc/93/48/10/558934810.db2.gz YZILRTQQAFAGAY-UHFFFAOYSA-N 1 2 423.561 3.242 40 0 HGABLO O=C(C1CC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCCC2)CC4)CC1 ZINC000072330524 558934813 /nfs/dbraw/zinc/93/48/13/558934813.db2.gz YZILRTQQAFAGAY-UHFFFAOYSA-N 1 2 423.561 3.242 40 0 HGABLO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000019583481 558937977 /nfs/dbraw/zinc/93/79/77/558937977.db2.gz PDOSDQIPTPZNLK-UHFFFAOYSA-N 1 2 424.524 3.173 40 0 HGABLO CN(C)c1nc2ccccc2cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019584042 558938242 /nfs/dbraw/zinc/93/82/42/558938242.db2.gz DNQWQRUZBQUGCO-UHFFFAOYSA-N 1 2 405.546 3.030 40 0 HGABLO CN(C)c1nc2ccccc2cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019584042 558938245 /nfs/dbraw/zinc/93/82/45/558938245.db2.gz DNQWQRUZBQUGCO-UHFFFAOYSA-N 1 2 405.546 3.030 40 0 HGABLO CN(C)c1nc2ccccc2cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019584042 558938246 /nfs/dbraw/zinc/93/82/46/558938246.db2.gz DNQWQRUZBQUGCO-UHFFFAOYSA-N 1 2 405.546 3.030 40 0 HGABLO COc1ccc([C@@H](CN(C)C(=O)Cc2ccc3c(c2)CCC3)[NH+]2CCOCC2)cc1 ZINC000019585957 558939254 /nfs/dbraw/zinc/93/92/54/558939254.db2.gz LXSULZWOJYOFGS-XMMPIXPASA-N 1 2 408.542 3.258 40 0 HGABLO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)cc1 ZINC000072345968 558942749 /nfs/dbraw/zinc/94/27/49/558942749.db2.gz RCCMHIMQVHMULS-OAHLLOKOSA-N 1 2 424.530 3.009 40 0 HGABLO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)cc1 ZINC000072345968 558942751 /nfs/dbraw/zinc/94/27/51/558942751.db2.gz RCCMHIMQVHMULS-OAHLLOKOSA-N 1 2 424.530 3.009 40 0 HGABLO Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(Oc4cnccn4)CC3)c2)cs1 ZINC000019659147 558950723 /nfs/dbraw/zinc/95/07/23/558950723.db2.gz AAVRYMOJMKUOPH-UHFFFAOYSA-N 1 2 409.515 3.390 40 0 HGABLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(N2CCOCC2)nc2ccccc21 ZINC000019666999 558956572 /nfs/dbraw/zinc/95/65/72/558956572.db2.gz OWHCXDSXUNCYBF-FQEVSTJZSA-N 1 2 407.518 3.113 40 0 HGABLO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@@H+]2CC(=O)Nc2nccs2)c1 ZINC000072376870 558966147 /nfs/dbraw/zinc/96/61/47/558966147.db2.gz BXBFKFRBBDMGAC-QGZVFWFLSA-N 1 2 424.530 3.357 40 0 HGABLO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@H+]2CC(=O)Nc2nccs2)c1 ZINC000072376870 558966149 /nfs/dbraw/zinc/96/61/49/558966149.db2.gz BXBFKFRBBDMGAC-QGZVFWFLSA-N 1 2 424.530 3.357 40 0 HGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)C[C@H]5C=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000072389796 558970326 /nfs/dbraw/zinc/97/03/26/558970326.db2.gz UDFYSTJDYLXICK-KRWDZBQOSA-N 1 2 423.561 3.264 40 0 HGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C[C@H]5C=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000072389796 558970328 /nfs/dbraw/zinc/97/03/28/558970328.db2.gz UDFYSTJDYLXICK-KRWDZBQOSA-N 1 2 423.561 3.264 40 0 HGABLO CCOCc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(NC)n3)C[N@H+](C)CC4)C2)cc1 ZINC000019710456 558972665 /nfs/dbraw/zinc/97/26/65/558972665.db2.gz CVPFABDTBRPGPT-LJQANCHMSA-N 1 2 423.561 3.063 40 0 HGABLO CCOCc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(NC)n3)C[N@@H+](C)CC4)C2)cc1 ZINC000019710456 558972667 /nfs/dbraw/zinc/97/26/67/558972667.db2.gz CVPFABDTBRPGPT-LJQANCHMSA-N 1 2 423.561 3.063 40 0 HGABLO COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@H](Cn5cc[nH+]c5)C4)cnn32)cc1 ZINC000019719036 558982732 /nfs/dbraw/zinc/98/27/32/558982732.db2.gz HWRMKUXNQQFSQE-QGZVFWFLSA-N 1 2 416.485 3.154 40 0 HGABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2sc(C)nc2C)CC3)c1 ZINC000585111156 559031731 /nfs/dbraw/zinc/03/17/31/559031731.db2.gz HCIRPJZEWFQTAN-UHFFFAOYSA-N 1 2 409.515 3.280 40 0 HGABLO Cc1ccccc1C(=O)N1CCC2(CC1)c1ncc(-c3cccnc3)n1CC[N@H+]2C ZINC000096263327 559107130 /nfs/dbraw/zinc/10/71/30/559107130.db2.gz WMRCYINAHSTMDR-UHFFFAOYSA-N 1 2 401.514 3.330 40 0 HGABLO Cc1ccccc1C(=O)N1CCC2(CC1)c1ncc(-c3cccnc3)n1CC[N@@H+]2C ZINC000096263327 559107131 /nfs/dbraw/zinc/10/71/31/559107131.db2.gz WMRCYINAHSTMDR-UHFFFAOYSA-N 1 2 401.514 3.330 40 0 HGABLO Cc1[nH+]c(-c2cc(C(=O)N3CCC[C@H](O)C3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266828 559107835 /nfs/dbraw/zinc/10/78/35/559107835.db2.gz CPWSFACPBBTOPD-IBGZPJMESA-N 1 2 415.497 3.151 40 0 HGABLO Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)n1 ZINC000585292236 559124743 /nfs/dbraw/zinc/12/47/43/559124743.db2.gz YWIBTCVJHDUDMM-KBOKABMXSA-N 1 2 403.490 3.375 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(C)c(Cl)c3)C1=O)CC2 ZINC000102332191 559150048 /nfs/dbraw/zinc/15/00/48/559150048.db2.gz XQXZJHMELSJZTG-SFHVURJKSA-N 1 2 414.889 3.356 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(C)c(Cl)c3)C1=O)CC2 ZINC000102332191 559150050 /nfs/dbraw/zinc/15/00/50/559150050.db2.gz XQXZJHMELSJZTG-SFHVURJKSA-N 1 2 414.889 3.356 40 0 HGABLO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCn3cc[nH+]c3)CCCO2)c1 ZINC000257225678 559283793 /nfs/dbraw/zinc/28/37/93/559283793.db2.gz FHHNWFXXFRIEFP-XMMPIXPASA-N 1 2 405.498 3.467 40 0 HGABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000514288666 560034499 /nfs/dbraw/zinc/03/44/99/560034499.db2.gz PZVZGSXKHIJAMP-WBVHZDCISA-N 1 2 411.811 3.471 40 0 biogenic,in-vitro HGABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000514288666 560034500 /nfs/dbraw/zinc/03/45/00/560034500.db2.gz PZVZGSXKHIJAMP-WBVHZDCISA-N 1 2 411.811 3.471 40 0 biogenic,in-vitro HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000911306 560546228 /nfs/dbraw/zinc/54/62/28/560546228.db2.gz XMZPAKWBFPSJPZ-LJQANCHMSA-N 1 2 410.522 3.244 40 0 HGABLO CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219249393 568488503 /nfs/dbraw/zinc/48/85/03/568488503.db2.gz ANFSIPJFTUXLEA-UHFFFAOYSA-N 1 2 412.515 3.293 40 0 HGABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057642695 568494266 /nfs/dbraw/zinc/49/42/66/568494266.db2.gz GECMCCKRVPMQIV-UHFFFAOYSA-N 1 2 424.549 3.021 40 0 HGABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057642695 568494268 /nfs/dbraw/zinc/49/42/68/568494268.db2.gz GECMCCKRVPMQIV-UHFFFAOYSA-N 1 2 424.549 3.021 40 0 HGABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057645743 568494407 /nfs/dbraw/zinc/49/44/07/568494407.db2.gz HLZTVBMDAGJJFA-HXUWFJFHSA-N 1 2 424.549 3.274 40 0 HGABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057645743 568494408 /nfs/dbraw/zinc/49/44/08/568494408.db2.gz HLZTVBMDAGJJFA-HXUWFJFHSA-N 1 2 424.549 3.274 40 0 HGABLO CCCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670053 568494619 /nfs/dbraw/zinc/49/46/19/568494619.db2.gz KTJJFKJNXJDOAN-GOSISDBHSA-N 1 2 406.962 3.335 40 0 HGABLO Cc1ccccc1-c1ocnc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026441287 568549565 /nfs/dbraw/zinc/54/95/65/568549565.db2.gz UNCXZUPXBGZYSN-UHFFFAOYSA-N 1 2 405.454 3.337 40 0 HGABLO COc1cc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c(OC)cc1Cl ZINC000225225495 568624558 /nfs/dbraw/zinc/62/45/58/568624558.db2.gz FAMXAUQPFOSNEH-UHFFFAOYSA-N 1 2 406.939 3.267 40 0 HGABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)C[N@@H+](C)Cc1ccccc1F)C2 ZINC000257216803 568781035 /nfs/dbraw/zinc/78/10/35/568781035.db2.gz CWDDXLZAJQPTLW-DEXHYYOUSA-N 1 2 401.526 3.038 40 0 HGABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)C[N@H+](C)Cc1ccccc1F)C2 ZINC000257216803 568781036 /nfs/dbraw/zinc/78/10/36/568781036.db2.gz CWDDXLZAJQPTLW-DEXHYYOUSA-N 1 2 401.526 3.038 40 0 HGABLO COc1ccccc1[C@@H]1CN(C(=O)C2(c3ccccc3F)CCOCC2)CC[N@@H+]1C ZINC000257245135 568788952 /nfs/dbraw/zinc/78/89/52/568788952.db2.gz IOEMVGOAWDHFSV-NRFANRHFSA-N 1 2 412.505 3.398 40 0 HGABLO COc1ccccc1[C@@H]1CN(C(=O)C2(c3ccccc3F)CCOCC2)CC[N@H+]1C ZINC000257245135 568788954 /nfs/dbraw/zinc/78/89/54/568788954.db2.gz IOEMVGOAWDHFSV-NRFANRHFSA-N 1 2 412.505 3.398 40 0 HGABLO COCCc1ncc(CN2CCO[C@@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)cn1 ZINC000257249316 568790079 /nfs/dbraw/zinc/79/00/79/568790079.db2.gz JHQPWSBMPQDLSG-OAQYLSRUSA-N 1 2 420.517 3.081 40 0 HGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 ZINC000257284554 568799842 /nfs/dbraw/zinc/79/98/42/568799842.db2.gz PDCVCWQCFAVKHH-NRFANRHFSA-N 1 2 421.476 3.185 40 0 HGABLO Cc1nc2c(C)cccn2c1C[N@@H+]1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257299019 568804262 /nfs/dbraw/zinc/80/42/62/568804262.db2.gz ROJVTCBARJIGFA-QFIPXVFZSA-N 1 2 402.502 3.320 40 0 HGABLO Cc1nc2c(C)cccn2c1C[N@H+]1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257299019 568804263 /nfs/dbraw/zinc/80/42/63/568804263.db2.gz ROJVTCBARJIGFA-QFIPXVFZSA-N 1 2 402.502 3.320 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@]12CCCO2 ZINC000257304164 568805641 /nfs/dbraw/zinc/80/56/41/568805641.db2.gz SKHLZCNADBQGMP-PXNSSMCTSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@]12CCCO2 ZINC000257304164 568805643 /nfs/dbraw/zinc/80/56/43/568805643.db2.gz SKHLZCNADBQGMP-PXNSSMCTSA-N 1 2 405.495 3.158 40 0 HGABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)n1C ZINC000257308310 568806876 /nfs/dbraw/zinc/80/68/76/568806876.db2.gz TWGUPUGXCIFWLK-OAHLLOKOSA-N 1 2 401.474 3.082 40 0 HGABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cncc(Nc4ncccn4)n3)C1)CCC2 ZINC000257343896 568817193 /nfs/dbraw/zinc/81/71/93/568817193.db2.gz ZUULMRJQUVRHAF-NRFANRHFSA-N 1 2 418.501 3.081 40 0 HGABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cncc(Nc4ncccn4)n3)C1)CCC2 ZINC000257343896 568817195 /nfs/dbraw/zinc/81/71/95/568817195.db2.gz ZUULMRJQUVRHAF-NRFANRHFSA-N 1 2 418.501 3.081 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)[C@H]2c1cccs1 ZINC000261363714 568819613 /nfs/dbraw/zinc/81/96/13/568819613.db2.gz HUEXBONXCYMSEH-MRXNPFEDSA-O 1 2 405.912 3.487 40 0 HGABLO Fc1ccc(C[N@@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cc1 ZINC000306129364 568891889 /nfs/dbraw/zinc/89/18/89/568891889.db2.gz IBIZQYBUGPVOIO-IBGZPJMESA-N 1 2 419.464 3.005 40 0 HGABLO Fc1ccc(C[N@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cc1 ZINC000306129364 568891891 /nfs/dbraw/zinc/89/18/91/568891891.db2.gz IBIZQYBUGPVOIO-IBGZPJMESA-N 1 2 419.464 3.005 40 0 HGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4ccccn4)CCN3C)nnn2c1 ZINC000306135362 568897157 /nfs/dbraw/zinc/89/71/57/568897157.db2.gz OOQGAQCULDIUIK-JOCHJYFZSA-N 1 2 414.513 3.289 40 0 HGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4ccccn4)CCN3C)nnn2c1 ZINC000306135362 568897158 /nfs/dbraw/zinc/89/71/58/568897158.db2.gz OOQGAQCULDIUIK-JOCHJYFZSA-N 1 2 414.513 3.289 40 0 HGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)C3CCC3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306139910 568901498 /nfs/dbraw/zinc/90/14/98/568901498.db2.gz UDRSGCRZXNSLAC-HYBUGGRVSA-N 1 2 421.545 3.004 40 0 HGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)C3CCC3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306139912 568901508 /nfs/dbraw/zinc/90/15/08/568901508.db2.gz UDRSGCRZXNSLAC-YKSBVNFPSA-N 1 2 421.545 3.004 40 0 HGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)C3CCC3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306139911 568901636 /nfs/dbraw/zinc/90/16/36/568901636.db2.gz UDRSGCRZXNSLAC-RDPSFJRHSA-N 1 2 421.545 3.004 40 0 HGABLO COc1ccc(-c2cnc3c(N4CC[NH+](Cc5cccnc5)CC4)nccn23)cc1 ZINC000306141204 568902692 /nfs/dbraw/zinc/90/26/92/568902692.db2.gz VOGZGEHARMKYOA-UHFFFAOYSA-N 1 2 400.486 3.122 40 0 HGABLO CN1CC[N@H+](Cc2cccnc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306140969 568902886 /nfs/dbraw/zinc/90/28/86/568902886.db2.gz VHUNQMRZAVESAX-QFIPXVFZSA-N 1 2 402.477 3.419 40 0 HGABLO CN1CC[N@@H+](Cc2cccnc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306140969 568902888 /nfs/dbraw/zinc/90/28/88/568902888.db2.gz VHUNQMRZAVESAX-QFIPXVFZSA-N 1 2 402.477 3.419 40 0 HGABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCO)n1 ZINC000328973631 568970709 /nfs/dbraw/zinc/97/07/09/568970709.db2.gz FBRWWKLXFYOPEP-UHFFFAOYSA-N 1 2 418.419 3.211 40 0 HGABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000892596 569048865 /nfs/dbraw/zinc/04/88/65/569048865.db2.gz AZYHTBOUPPQCEG-NRFANRHFSA-N 1 2 400.486 3.057 40 0 HGABLO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC ZINC000012327323 569344718 /nfs/dbraw/zinc/34/47/18/569344718.db2.gz VJZZKAWLTLRZGT-UTKZUKDTSA-N 1 2 400.450 3.094 40 0 HGABLO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC ZINC000012327323 569344719 /nfs/dbraw/zinc/34/47/19/569344719.db2.gz VJZZKAWLTLRZGT-UTKZUKDTSA-N 1 2 400.450 3.094 40 0 HGABLO COc1ccc2[nH]c(C[N@@H+]3CCc4c(nc(N5CCC[C@@H](C)C5)[nH]c4=O)C3)c(C)c2c1 ZINC000019565494 569345688 /nfs/dbraw/zinc/34/56/88/569345688.db2.gz CXEFOKXNHMPYKK-OAHLLOKOSA-N 1 2 421.545 3.363 40 0 HGABLO COc1ccc2[nH]c(C[N@H+]3CCc4c(nc(N5CCC[C@@H](C)C5)[nH]c4=O)C3)c(C)c2c1 ZINC000019565494 569345689 /nfs/dbraw/zinc/34/56/89/569345689.db2.gz CXEFOKXNHMPYKK-OAHLLOKOSA-N 1 2 421.545 3.363 40 0 HGABLO Cc1cccc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)n2)n1 ZINC000585290879 571308863 /nfs/dbraw/zinc/30/88/63/571308863.db2.gz GRQBTFGMRGOTHU-BBVFFXRHSA-N 1 2 403.490 3.722 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408564242 557471050 /nfs/dbraw/zinc/47/10/50/557471050.db2.gz UDCIUNQZZNGMIV-QHCPKHFHSA-N 1 2 420.538 3.477 40 0 HGABLO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000408576446 557479571 /nfs/dbraw/zinc/47/95/71/557479571.db2.gz UVXWJFJZDYJCPR-UHFFFAOYSA-N 1 2 414.527 3.498 40 0 HGABLO COc1cccc([C@@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)c1 ZINC000019960501 558315487 /nfs/dbraw/zinc/31/54/87/558315487.db2.gz CDXZCTZUIYUUNE-OAQYLSRUSA-N 1 2 414.469 3.381 40 0 HGABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1Cl ZINC000020801420 558415335 /nfs/dbraw/zinc/41/53/35/558415335.db2.gz QNHXJVLZHMGCOR-RBUKOAKNSA-N 1 2 411.889 3.105 40 0 HGABLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030939268 558745369 /nfs/dbraw/zinc/74/53/69/558745369.db2.gz CBZBUEOEOYQKKQ-UHFFFAOYSA-N 1 2 412.515 3.214 40 0 HGABLO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019022469 558838093 /nfs/dbraw/zinc/83/80/93/558838093.db2.gz BXCCODHGADINKK-INIZCTEOSA-N 1 2 421.950 3.477 40 0 HGABLO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019022469 558838094 /nfs/dbraw/zinc/83/80/94/558838094.db2.gz BXCCODHGADINKK-INIZCTEOSA-N 1 2 421.950 3.477 40 0 HGABLO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240384 558858874 /nfs/dbraw/zinc/85/88/74/558858874.db2.gz MHMWHZHZKINPRQ-SJCJKPOMSA-N 1 2 400.552 3.263 40 0 HGABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]c(C)n4ccsc34)C2)cc1F ZINC000019240789 558859171 /nfs/dbraw/zinc/85/91/71/558859171.db2.gz YKPIRORTCPLZRE-CYBMUJFWSA-N 1 2 409.508 3.420 40 0 HGABLO Fc1ccc(Cn2nnnc2C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000019334909 558869611 /nfs/dbraw/zinc/86/96/11/558869611.db2.gz ZGADMTSUXWMGCC-GOSISDBHSA-N 1 2 418.480 3.025 40 0 HGABLO Fc1ccc(Cn2nnnc2C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000019334909 558869614 /nfs/dbraw/zinc/86/96/14/558869614.db2.gz ZGADMTSUXWMGCC-GOSISDBHSA-N 1 2 418.480 3.025 40 0 HGABLO O=C(CCn1cc[nH+]c1-c1ccccc1)N1CCC2(CC1)NC(=O)c1ccccc1N2 ZINC000019374400 558881267 /nfs/dbraw/zinc/88/12/67/558881267.db2.gz ANNDEJGJTMIBMC-UHFFFAOYSA-N 1 2 415.497 3.114 40 0 HGABLO O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000019401349 558883600 /nfs/dbraw/zinc/88/36/00/558883600.db2.gz FKPIUCHEPNVSCS-UHFFFAOYSA-N 1 2 424.508 3.087 40 0 HGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448127 558887115 /nfs/dbraw/zinc/88/71/15/558887115.db2.gz COFFOGMIMXFEFD-GOSISDBHSA-N 1 2 423.561 3.264 40 0 HGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448127 558887118 /nfs/dbraw/zinc/88/71/18/558887118.db2.gz COFFOGMIMXFEFD-GOSISDBHSA-N 1 2 423.561 3.264 40 0 HGABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c(OC)c1 ZINC000019453705 558890912 /nfs/dbraw/zinc/89/09/12/558890912.db2.gz XDSZCTUGSJXCCE-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c(OC)c1 ZINC000019453705 558890914 /nfs/dbraw/zinc/89/09/14/558890914.db2.gz XDSZCTUGSJXCCE-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO CCC(=O)N1CCc2cc(C(=O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000057811703 558890969 /nfs/dbraw/zinc/89/09/69/558890969.db2.gz CZCMJAFPBWKNQX-UHFFFAOYSA-N 1 2 410.489 3.291 40 0 HGABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1 ZINC000019453675 558891025 /nfs/dbraw/zinc/89/10/25/558891025.db2.gz QGTHEYBMKCCKRE-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1 ZINC000019453675 558891028 /nfs/dbraw/zinc/89/10/28/558891028.db2.gz QGTHEYBMKCCKRE-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO COc1ccc2[nH]c(C[N@@H+]3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c(C)c2c1 ZINC000019565503 558925410 /nfs/dbraw/zinc/92/54/10/558925410.db2.gz WSLKIXNEMRVIFK-UHFFFAOYSA-N 1 2 401.470 3.189 40 0 HGABLO COc1ccc2[nH]c(C[N@H+]3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c(C)c2c1 ZINC000019565503 558925412 /nfs/dbraw/zinc/92/54/12/558925412.db2.gz WSLKIXNEMRVIFK-UHFFFAOYSA-N 1 2 401.470 3.189 40 0 HGABLO COC(=O)C[NH+]1CCC(Oc2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 ZINC000072335984 558937226 /nfs/dbraw/zinc/93/72/26/558937226.db2.gz XAFNZIXGJHAPDF-UHFFFAOYSA-N 1 2 408.502 3.113 40 0 HGABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000019584072 558938273 /nfs/dbraw/zinc/93/82/73/558938273.db2.gz UIILFNHWUWBELV-UHFFFAOYSA-N 1 2 412.497 3.004 40 0 HGABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000019584072 558938276 /nfs/dbraw/zinc/93/82/76/558938276.db2.gz UIILFNHWUWBELV-UHFFFAOYSA-N 1 2 412.497 3.004 40 0 HGABLO CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)C1 ZINC000072353696 558950655 /nfs/dbraw/zinc/95/06/55/558950655.db2.gz PAKSJTYAXWCPFC-OAHLLOKOSA-N 1 2 408.531 3.468 40 0 HGABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000019666287 558956055 /nfs/dbraw/zinc/95/60/55/558956055.db2.gz HFCPPSFIWJSNIE-OAHLLOKOSA-N 1 2 412.515 3.338 40 0 HGABLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(N2CCOCC2)nc2ccccc21 ZINC000019666996 558956718 /nfs/dbraw/zinc/95/67/18/558956718.db2.gz OWHCXDSXUNCYBF-HXUWFJFHSA-N 1 2 407.518 3.113 40 0 HGABLO Cn1c[nH+]c([C@@H]2C[C@]3(CN2C(=O)Cc2cccc(F)c2)CCCN(CC2CC2)C3=O)c1 ZINC000585106395 559028775 /nfs/dbraw/zinc/02/87/75/559028775.db2.gz AAJJVECZAFGUIZ-URXFXBBRSA-N 1 2 424.520 3.094 40 0 HGABLO C[NH+]1CCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)CC1 ZINC000096146546 559097920 /nfs/dbraw/zinc/09/79/20/559097920.db2.gz AIIACMWKIDJQHI-UHFFFAOYSA-N 1 2 414.513 3.173 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 ZINC000585266398 559112753 /nfs/dbraw/zinc/11/27/53/559112753.db2.gz ZSBXLBNAHCCCSQ-OXQOHEQNSA-N 1 2 405.495 3.076 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 ZINC000585266398 559112755 /nfs/dbraw/zinc/11/27/55/559112755.db2.gz ZSBXLBNAHCCCSQ-OXQOHEQNSA-N 1 2 405.495 3.076 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000782623 559279185 /nfs/dbraw/zinc/27/91/85/559279185.db2.gz ROTRNZATVRRSLT-IBGZPJMESA-N 1 2 410.522 3.100 40 0 HGABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000000889366 560541979 /nfs/dbraw/zinc/54/19/79/560541979.db2.gz GMHJUPYGGXVEOS-NRFANRHFSA-N 1 2 400.486 3.057 40 0 HGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000000893468 560543283 /nfs/dbraw/zinc/54/32/83/560543283.db2.gz VADMZIUIDPUUNL-JOCHJYFZSA-N 1 2 414.513 3.311 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000910865 560546206 /nfs/dbraw/zinc/54/62/06/560546206.db2.gz LETANXVINWAUPG-FQEVSTJZSA-N 1 2 424.549 3.490 40 0 HGABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000004847546 560609401 /nfs/dbraw/zinc/60/94/01/560609401.db2.gz YCKYQJNZUXRPAG-UHFFFAOYSA-N 1 2 418.501 3.409 40 0 HGABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000004847546 560609402 /nfs/dbraw/zinc/60/94/02/560609402.db2.gz YCKYQJNZUXRPAG-UHFFFAOYSA-N 1 2 418.501 3.409 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000008579555 560637511 /nfs/dbraw/zinc/63/75/11/560637511.db2.gz XMZPAKWBFPSJPZ-IBGZPJMESA-N 1 2 410.522 3.244 40 0 HGABLO COC(=O)c1c(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)sc2c1CCCC2 ZINC000409140054 560683303 /nfs/dbraw/zinc/68/33/03/560683303.db2.gz DDDBUZIEQZVUGZ-UHFFFAOYSA-N 1 2 414.527 3.498 40 0 HGABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057645775 568494396 /nfs/dbraw/zinc/49/43/96/568494396.db2.gz HCQGTQQDZUABHC-NRFANRHFSA-N 1 2 424.549 3.274 40 0 HGABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057645775 568494397 /nfs/dbraw/zinc/49/43/97/568494397.db2.gz HCQGTQQDZUABHC-NRFANRHFSA-N 1 2 424.549 3.274 40 0 HGABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CCC[NH+]1CCOCC1 ZINC000223168465 568539944 /nfs/dbraw/zinc/53/99/44/568539944.db2.gz AGPJBCYIJMZNCQ-ROUUACIJSA-N 1 2 423.007 3.491 40 0 HGABLO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225457532 568639803 /nfs/dbraw/zinc/63/98/03/568639803.db2.gz TXYHPRATCRGAGI-SFHVURJKSA-N 1 2 422.525 3.406 40 0 HGABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000257221094 568782208 /nfs/dbraw/zinc/78/22/08/568782208.db2.gz DNKYLFSXUXPPMZ-XMMPIXPASA-N 1 2 402.498 3.293 40 0 HGABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000257221094 568782210 /nfs/dbraw/zinc/78/22/10/568782210.db2.gz DNKYLFSXUXPPMZ-XMMPIXPASA-N 1 2 402.498 3.293 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@]12CCCO2 ZINC000257221013 568782280 /nfs/dbraw/zinc/78/22/80/568782280.db2.gz DNDZKCHTJJVTPY-WIYYLYMNSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@]12CCCO2 ZINC000257221013 568782281 /nfs/dbraw/zinc/78/22/81/568782281.db2.gz DNDZKCHTJJVTPY-WIYYLYMNSA-N 1 2 401.532 3.327 40 0 HGABLO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1cc[nH+]c1 ZINC000257259993 568792853 /nfs/dbraw/zinc/79/28/53/568792853.db2.gz LAYASQPMZSIEKO-ACUMWEPGSA-N 1 2 420.557 3.275 40 0 HGABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4n[nH]c5ccccc54)C3)n2)n1C ZINC000257275207 568797098 /nfs/dbraw/zinc/79/70/98/568797098.db2.gz NOIOMBHKFGRRPY-OAHLLOKOSA-N 1 2 401.474 3.082 40 0 HGABLO Cc1ccc(CC(=O)N2CCO[C@@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C2)cc1C ZINC000257304120 568805676 /nfs/dbraw/zinc/80/56/76/568805676.db2.gz SKDYCSJXBVAYAK-JOCHJYFZSA-N 1 2 402.498 3.485 40 0 HGABLO Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4nncs4)cc(C)[nH+]3)C2)s1 ZINC000257315688 568808909 /nfs/dbraw/zinc/80/89/09/568808909.db2.gz VCKVOVBFDZRDTF-OAHLLOKOSA-N 1 2 416.532 3.272 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257316081 568809056 /nfs/dbraw/zinc/80/90/56/568809056.db2.gz VEAKVSAODOIHQA-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257316081 568809057 /nfs/dbraw/zinc/80/90/57/568809057.db2.gz VEAKVSAODOIHQA-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1Cl ZINC000257324252 568811602 /nfs/dbraw/zinc/81/16/02/568811602.db2.gz WNVUSXUCEYDYKK-FPOVZHCZSA-N 1 2 422.884 3.331 40 0 HGABLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1Cl ZINC000257324252 568811605 /nfs/dbraw/zinc/81/16/05/568811605.db2.gz WNVUSXUCEYDYKK-FPOVZHCZSA-N 1 2 422.884 3.331 40 0 HGABLO CSc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261362990 568819268 /nfs/dbraw/zinc/81/92/68/568819268.db2.gz OCRNKVKAQLPDAD-IBGZPJMESA-O 1 2 411.532 3.494 40 0 HGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)cc1 ZINC000261362870 568819371 /nfs/dbraw/zinc/81/93/71/568819371.db2.gz NFCIXJSHBNPXMC-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261364383 568819594 /nfs/dbraw/zinc/81/95/94/568819594.db2.gz LFAUUESJHFSMDM-HNNXBMFYSA-O 1 2 418.296 3.299 40 0 HGABLO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1ccco1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306126466 568889295 /nfs/dbraw/zinc/88/92/95/568889295.db2.gz DWTIIQTXOSXJLR-UHFFFAOYSA-N 1 2 411.550 3.226 40 0 HGABLO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1ccco1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306126466 568889297 /nfs/dbraw/zinc/88/92/97/568889297.db2.gz DWTIIQTXOSXJLR-UHFFFAOYSA-N 1 2 411.550 3.226 40 0 HGABLO Cc1[nH+]c2c(n1CC1CC1)CN(Cc1ccco1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306126466 568889300 /nfs/dbraw/zinc/88/93/00/568889300.db2.gz DWTIIQTXOSXJLR-UHFFFAOYSA-N 1 2 411.550 3.226 40 0 HGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4cccnc4)CCN3C)nnn2c1 ZINC000306126716 568889455 /nfs/dbraw/zinc/88/94/55/568889455.db2.gz FDFAOBXIQNIAKO-JOCHJYFZSA-N 1 2 414.513 3.289 40 0 HGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4cccnc4)CCN3C)nnn2c1 ZINC000306126716 568889458 /nfs/dbraw/zinc/88/94/58/568889458.db2.gz FDFAOBXIQNIAKO-JOCHJYFZSA-N 1 2 414.513 3.289 40 0 HGABLO Cc1ccsc1C(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3cccs3)n12 ZINC000306127238 568890043 /nfs/dbraw/zinc/89/00/43/568890043.db2.gz FSUXRJCDMXSHII-UHFFFAOYSA-N 1 2 413.572 3.453 40 0 HGABLO Cc1ccsc1C(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3cccs3)n12 ZINC000306127238 568890045 /nfs/dbraw/zinc/89/00/45/568890045.db2.gz FSUXRJCDMXSHII-UHFFFAOYSA-N 1 2 413.572 3.453 40 0 HGABLO COc1ncccc1C[N@@H+]1CCN(C)[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 ZINC000306135091 568896936 /nfs/dbraw/zinc/89/69/36/568896936.db2.gz OHOBBIBDYNEWCA-QFIPXVFZSA-N 1 2 414.513 3.289 40 0 HGABLO COc1ncccc1C[N@H+]1CCN(C)[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 ZINC000306135091 568896937 /nfs/dbraw/zinc/89/69/37/568896937.db2.gz OHOBBIBDYNEWCA-QFIPXVFZSA-N 1 2 414.513 3.289 40 0 HGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306140224 568902080 /nfs/dbraw/zinc/90/20/80/568902080.db2.gz UNHUNLMPYNPRES-XXBNENTESA-N 1 2 420.490 3.233 40 0 HGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306140224 568902083 /nfs/dbraw/zinc/90/20/83/568902083.db2.gz UNHUNLMPYNPRES-XXBNENTESA-N 1 2 420.490 3.233 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306140460 568902434 /nfs/dbraw/zinc/90/24/34/568902434.db2.gz UUIWNSXPINNJPF-FPOVZHCZSA-N 1 2 413.930 3.496 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306140460 568902435 /nfs/dbraw/zinc/90/24/35/568902435.db2.gz UUIWNSXPINNJPF-FPOVZHCZSA-N 1 2 413.930 3.496 40 0 HGABLO COc1ccc(/C=C/C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1OC ZINC000224357225 569059740 /nfs/dbraw/zinc/05/97/40/569059740.db2.gz IQNJBRUTNSNGQI-PKNBQFBNSA-N 1 2 411.506 3.202 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000229920702 569287266 /nfs/dbraw/zinc/28/72/66/569287266.db2.gz GDKMBQIZOMERJG-LHUKNYEISA-N 1 2 416.474 3.049 40 0 HGABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000137101495 569313202 /nfs/dbraw/zinc/31/32/02/569313202.db2.gz ABRNRMCBTPZDPW-VHSXEESVSA-N 1 2 404.357 3.378 40 0 HGABLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 ZINC000019766917 569349129 /nfs/dbraw/zinc/34/91/29/569349129.db2.gz LDKPVGQOEKFQGS-FQEVSTJZSA-N 1 2 415.582 3.243 40 0 HGABLO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 ZINC000019766917 569349130 /nfs/dbraw/zinc/34/91/30/569349130.db2.gz LDKPVGQOEKFQGS-FQEVSTJZSA-N 1 2 415.582 3.243 40 0 HGABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000008969806 569391028 /nfs/dbraw/zinc/39/10/28/569391028.db2.gz YJWRXRFXIWIHSC-WNRNVDISSA-N 1 2 413.260 3.475 40 0 HGABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000008969806 569391030 /nfs/dbraw/zinc/39/10/30/569391030.db2.gz YJWRXRFXIWIHSC-WNRNVDISSA-N 1 2 413.260 3.475 40 0 HGABLO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000009345491 569392544 /nfs/dbraw/zinc/39/25/44/569392544.db2.gz USJLSKUJLJCMPX-WCIQWLHISA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000009345491 569392545 /nfs/dbraw/zinc/39/25/45/569392545.db2.gz USJLSKUJLJCMPX-WCIQWLHISA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)[N@H+]1CCC[C@@H]21 ZINC000009450427 569392914 /nfs/dbraw/zinc/39/29/14/569392914.db2.gz DGCKMEPKTUBWJY-QLIIJSOBSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)[N@@H+]1CCC[C@@H]21 ZINC000009450427 569392916 /nfs/dbraw/zinc/39/29/16/569392916.db2.gz DGCKMEPKTUBWJY-QLIIJSOBSA-N 1 2 424.884 3.184 40 0 HGABLO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)cn1 ZINC000035425649 291236565 /nfs/dbraw/zinc/23/65/65/291236565.db2.gz MHRJEMWYQXFRCS-KRWDZBQOSA-N 1 2 411.437 3.193 40 0 biogenic,in-vitro HGABLO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)cn1 ZINC000035425649 291236566 /nfs/dbraw/zinc/23/65/66/291236566.db2.gz MHRJEMWYQXFRCS-KRWDZBQOSA-N 1 2 411.437 3.193 40 0 biogenic,in-vitro HGABLO COc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2n1CC[NH+]1CCOCC1 ZINC000032501870 524198949 /nfs/dbraw/zinc/19/89/49/524198949.db2.gz IBEYZLWJRAGQSA-UHFFFAOYSA-N 1 2 414.893 3.283 40 0 HGABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)c1 ZINC000408544658 557362372 /nfs/dbraw/zinc/36/23/72/557362372.db2.gz IJNYGKLDASZKKP-UHFFFAOYSA-N 1 2 421.950 3.145 40 0 HGABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000408573319 557476042 /nfs/dbraw/zinc/47/60/42/557476042.db2.gz BBSGXFABNZRDNY-UHFFFAOYSA-N 1 2 400.500 3.108 40 0 HGABLO CCOc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCc1ccc(F)cc1 ZINC000408573757 557476564 /nfs/dbraw/zinc/47/65/64/557476564.db2.gz KIIIKMFPQFKVQX-UHFFFAOYSA-N 1 2 418.534 3.401 40 0 HGABLO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240385 558858972 /nfs/dbraw/zinc/85/89/72/558858972.db2.gz MHMWHZHZKINPRQ-PXAZEXFGSA-N 1 2 400.552 3.263 40 0 HGABLO CCn1cc(S(=O)(=O)Nc2ccccc2OCC[NH+]2CCC(C)CC2)c(C)n1 ZINC000057823204 558891204 /nfs/dbraw/zinc/89/12/04/558891204.db2.gz UJLKCYLDYQHSTO-UHFFFAOYSA-N 1 2 406.552 3.123 40 0 HGABLO CC1(C)NC(=O)N(Cc2ccc(NC(=O)c3ccccc3Cn3cc[nH+]c3)cc2)C1=O ZINC000019460194 558893365 /nfs/dbraw/zinc/89/33/65/558893365.db2.gz DNJKIYXRRXYDDF-UHFFFAOYSA-N 1 2 417.469 3.014 40 0 HGABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@H+](CC(=O)NC4CCCC4)C3)c(=O)c12 ZINC000019521818 558903017 /nfs/dbraw/zinc/90/30/17/558903017.db2.gz GEKWSMMAPHRLRF-MRXNPFEDSA-N 1 2 402.564 3.025 40 0 HGABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@@H+](CC(=O)NC4CCCC4)C3)c(=O)c12 ZINC000019521818 558903018 /nfs/dbraw/zinc/90/30/18/558903018.db2.gz GEKWSMMAPHRLRF-MRXNPFEDSA-N 1 2 402.564 3.025 40 0 HGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2nc3ccccc3[nH]2)CC1 ZINC000019524386 558905644 /nfs/dbraw/zinc/90/56/44/558905644.db2.gz DENFOLFLNKACRK-UHFFFAOYSA-N 1 2 402.502 3.465 40 0 HGABLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1ccc(Oc2cccnc2)cc1 ZINC000019658105 558950055 /nfs/dbraw/zinc/95/00/55/558950055.db2.gz GAFKMPKZIUCMKI-UHFFFAOYSA-N 1 2 405.458 3.146 40 0 HGABLO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000072358601 558954321 /nfs/dbraw/zinc/95/43/21/558954321.db2.gz WDZQXZUWORNZQE-MRXNPFEDSA-N 1 2 409.515 3.427 40 0 HGABLO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000072358601 558954322 /nfs/dbraw/zinc/95/43/22/558954322.db2.gz WDZQXZUWORNZQE-MRXNPFEDSA-N 1 2 409.515 3.427 40 0 HGABLO Nc1ccc(-c2ccc(C3CCN(C(=O)COC[C@@H]4CCCCO4)CC3)nc2)c[nH+]1 ZINC000019687993 558957605 /nfs/dbraw/zinc/95/76/05/558957605.db2.gz OCAULVVCRJVCFQ-FQEVSTJZSA-N 1 2 410.518 3.018 40 0 HGABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCC1 ZINC000072374496 558962083 /nfs/dbraw/zinc/96/20/83/558962083.db2.gz NGLOGTKKMYASEQ-HXUWFJFHSA-N 1 2 404.518 3.329 40 0 HGABLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCC1 ZINC000072374496 558962086 /nfs/dbraw/zinc/96/20/86/558962086.db2.gz NGLOGTKKMYASEQ-HXUWFJFHSA-N 1 2 404.518 3.329 40 0 HGABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072379165 558967868 /nfs/dbraw/zinc/96/78/68/558967868.db2.gz MXHHELVADIXIEF-GOSISDBHSA-N 1 2 400.479 3.495 40 0 HGABLO Cc1noc2nc(C)cc(C(=O)Nc3cc(C)ccc3OCC[NH+]3CCOCC3)c12 ZINC000019715829 558977278 /nfs/dbraw/zinc/97/72/78/558977278.db2.gz BCHGQPOTCINHOH-UHFFFAOYSA-N 1 2 410.474 3.111 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2N2CCOCC2)cc1 ZINC000072216261 559169403 /nfs/dbraw/zinc/16/94/03/559169403.db2.gz LZKKZVWGFITEFL-FQEVSTJZSA-N 1 2 401.532 3.143 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH+]c(N3CCOCC3)c(C)c2)cc1 ZINC000072219379 559169767 /nfs/dbraw/zinc/16/97/67/559169767.db2.gz CKHBKFOGTJXAPT-NRFANRHFSA-N 1 2 415.559 3.451 40 0 HGABLO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000035424592 560081150 /nfs/dbraw/zinc/08/11/50/560081150.db2.gz SNNSNIGZZQTACE-IBGZPJMESA-N 1 2 409.465 3.444 40 0 biogenic,in-vitro HGABLO Fc1ccccc1C[N@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000035424592 560081151 /nfs/dbraw/zinc/08/11/51/560081151.db2.gz SNNSNIGZZQTACE-IBGZPJMESA-N 1 2 409.465 3.444 40 0 biogenic,in-vitro HGABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000000889011 560542297 /nfs/dbraw/zinc/54/22/97/560542297.db2.gz KKOWKMXWVIYQAT-OAQYLSRUSA-N 1 2 400.486 3.057 40 0 HGABLO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000001224822 560572618 /nfs/dbraw/zinc/57/26/18/560572618.db2.gz YAQLXHRVFYFQEH-OAQYLSRUSA-N 1 2 422.533 3.460 40 0 HGABLO Cc1ccc2cc(C[N@@H+](CCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000004848016 560609660 /nfs/dbraw/zinc/60/96/60/560609660.db2.gz WTPAAXPSPUHGOH-OAQYLSRUSA-N 1 2 424.549 3.130 40 0 HGABLO Cc1ccc2cc(C[N@H+](CCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000004848016 560609662 /nfs/dbraw/zinc/60/96/62/560609662.db2.gz WTPAAXPSPUHGOH-OAQYLSRUSA-N 1 2 424.549 3.130 40 0 HGABLO COC(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104141766 560735263 /nfs/dbraw/zinc/73/52/63/560735263.db2.gz BXXHLOUIOGUWCB-INDMIFKZSA-N 1 2 408.841 3.028 40 0 HGABLO COC(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104141766 560735265 /nfs/dbraw/zinc/73/52/65/560735265.db2.gz BXXHLOUIOGUWCB-INDMIFKZSA-N 1 2 408.841 3.028 40 0 HGABLO NC(=O)C1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2ccccc2Cl)CC1 ZINC000057669535 568494369 /nfs/dbraw/zinc/49/43/69/568494369.db2.gz GNDTVIRVLXJSOY-GOSISDBHSA-N 1 2 402.930 3.118 40 0 HGABLO COc1ccccc1N1CC[NH+]([C@@H](c2nnnn2Cc2ccc(F)cc2)C(C)C)CC1 ZINC000057670850 568494887 /nfs/dbraw/zinc/49/48/87/568494887.db2.gz JZZOAPVWUDDYMS-JOCHJYFZSA-N 1 2 424.524 3.388 40 0 HGABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670946 568495017 /nfs/dbraw/zinc/49/50/17/568495017.db2.gz ZGHADICUHCCZLG-OAQYLSRUSA-N 1 2 410.497 3.142 40 0 HGABLO CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223171163 568540039 /nfs/dbraw/zinc/54/00/39/568540039.db2.gz PXLGOZXSKVUMJO-NHCUHLMSSA-N 1 2 413.591 3.159 40 0 HGABLO CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223171341 568540076 /nfs/dbraw/zinc/54/00/76/568540076.db2.gz PXLGOZXSKVUMJO-SFTDATJTSA-N 1 2 413.591 3.159 40 0 HGABLO CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223345987 568546005 /nfs/dbraw/zinc/54/60/05/568546005.db2.gz HGQSBDLTTQEWNE-XMMPIXPASA-N 1 2 423.557 3.005 40 0 HGABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccccc3)CC2)cc(OC)c1OC ZINC000225222813 568624205 /nfs/dbraw/zinc/62/42/05/568624205.db2.gz FTBMIZFVRSCXTR-UHFFFAOYSA-N 1 2 401.532 3.227 40 0 HGABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000225223556 568624334 /nfs/dbraw/zinc/62/43/34/568624334.db2.gz MLUODQFREHENAL-UHFFFAOYSA-N 1 2 419.522 3.366 40 0 HGABLO C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225650044 568659956 /nfs/dbraw/zinc/65/99/56/568659956.db2.gz XSTCSVUSEOSDIB-SFHVURJKSA-N 1 2 422.525 3.406 40 0 HGABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C ZINC000257235124 568786170 /nfs/dbraw/zinc/78/61/70/568786170.db2.gz GWOHBQLEFTYOCW-INIZCTEOSA-N 1 2 401.474 3.082 40 0 HGABLO CC(=O)N[C@@H]1C[C@H](c2ccccc2OCC[NH+]2CCOCC2)OC2(CCCCC2)C1 ZINC000257255219 568791708 /nfs/dbraw/zinc/79/17/08/568791708.db2.gz KGPSAXCVEKTYEW-NFBKMPQASA-N 1 2 416.562 3.457 40 0 HGABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3cccc(-c4cncnc4)n3)CC[N@@H+]2C)cc1 ZINC000257283365 568799545 /nfs/dbraw/zinc/79/95/45/568799545.db2.gz OXZIYIUGUGEYOH-HSZRJFAPSA-N 1 2 417.513 3.455 40 0 HGABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3cccc(-c4cncnc4)n3)CC[N@H+]2C)cc1 ZINC000257283365 568799546 /nfs/dbraw/zinc/79/95/46/568799546.db2.gz OXZIYIUGUGEYOH-HSZRJFAPSA-N 1 2 417.513 3.455 40 0 HGABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C(C)=O)C3)cn1 ZINC000257302182 568805067 /nfs/dbraw/zinc/80/50/67/568805067.db2.gz SBUYGUUKWCDQCW-CMCWBKRRSA-N 1 2 421.545 3.224 40 0 HGABLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)c(OC)c1 ZINC000257307125 568806711 /nfs/dbraw/zinc/80/67/11/568806711.db2.gz SXHXMFCYRYTVQX-QHCPKHFHSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)c(OC)c1 ZINC000257307125 568806714 /nfs/dbraw/zinc/80/67/14/568806714.db2.gz SXHXMFCYRYTVQX-QHCPKHFHSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)cc1 ZINC000257344930 568817348 /nfs/dbraw/zinc/81/73/48/568817348.db2.gz ZZHFKSKXDPCCDW-HNNXBMFYSA-N 1 2 408.506 3.215 40 0 HGABLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)cc1 ZINC000257344930 568817350 /nfs/dbraw/zinc/81/73/50/568817350.db2.gz ZZHFKSKXDPCCDW-HNNXBMFYSA-N 1 2 408.506 3.215 40 0 HGABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000306129550 568892031 /nfs/dbraw/zinc/89/20/31/568892031.db2.gz IGTOVVINPFXFGV-GHTZIAJQSA-N 1 2 417.579 3.173 40 0 HGABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000306129550 568892034 /nfs/dbraw/zinc/89/20/34/568892034.db2.gz IGTOVVINPFXFGV-GHTZIAJQSA-N 1 2 417.579 3.173 40 0 HGABLO CC(C)n1cc(C[N@@H+]2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306131178 568893500 /nfs/dbraw/zinc/89/35/00/568893500.db2.gz JYFAAZOPCFRDAU-IFMALSPDSA-N 1 2 408.527 3.281 40 0 HGABLO CC(C)n1cc(C[N@H+]2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306131178 568893501 /nfs/dbraw/zinc/89/35/01/568893501.db2.gz JYFAAZOPCFRDAU-IFMALSPDSA-N 1 2 408.527 3.281 40 0 HGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306134786 568896792 /nfs/dbraw/zinc/89/67/92/568896792.db2.gz NYELOIWEQSIPDP-RDPSFJRHSA-N 1 2 424.520 3.471 40 0 HGABLO OCCCNc1nc(Nc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329046572 568974521 /nfs/dbraw/zinc/97/45/21/568974521.db2.gz UCCIMKOKUPZTJG-UHFFFAOYSA-N 1 2 404.392 3.424 40 0 HGABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000892599 569048870 /nfs/dbraw/zinc/04/88/70/569048870.db2.gz AZYHTBOUPPQCEG-OAQYLSRUSA-N 1 2 400.486 3.057 40 0 HGABLO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000224359438 569059767 /nfs/dbraw/zinc/05/97/67/569059767.db2.gz MMAUVHCFBCSNEO-UHFFFAOYSA-N 1 2 403.486 3.299 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245229807 569313797 /nfs/dbraw/zinc/31/37/97/569313797.db2.gz GDKMBQIZOMERJG-WOYCLPQFSA-N 1 2 416.474 3.049 40 0 HGABLO Cc1nnc2n1C[C@@H](c1cccc(NC(=O)Cc3c(C)[nH+]c4ccccn43)c1)CC2 ZINC000019698186 569346867 /nfs/dbraw/zinc/34/68/67/569346867.db2.gz QQERENKWFYTIPH-SFHVURJKSA-N 1 2 400.486 3.454 40 0 HGABLO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019759257 569348815 /nfs/dbraw/zinc/34/88/15/569348815.db2.gz BDHLJXIAVXIRJS-OAQYLSRUSA-N 1 2 423.561 3.331 40 0 HGABLO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCC[N@H+]2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019759257 569348816 /nfs/dbraw/zinc/34/88/16/569348816.db2.gz BDHLJXIAVXIRJS-OAQYLSRUSA-N 1 2 423.561 3.331 40 0 HGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(OC)cc3)c2CN1Cc1ccc(F)cc1 ZINC000012530334 291236122 /nfs/dbraw/zinc/23/61/22/291236122.db2.gz BETMXIWZFFZMLZ-NRFANRHFSA-N 1 2 409.461 3.179 40 0 biogenic,in-vitro HGABLO COc1cccc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3OC)C[C@@H]2O)c1 ZINC000004984639 557620628 /nfs/dbraw/zinc/62/06/28/557620628.db2.gz DPVJLVOAQRPECM-MJGOQNOKSA-N 1 2 404.894 3.146 40 0 HGABLO COc1cccc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3OC)C[C@@H]2O)c1 ZINC000004984639 557620631 /nfs/dbraw/zinc/62/06/31/557620631.db2.gz DPVJLVOAQRPECM-MJGOQNOKSA-N 1 2 404.894 3.146 40 0 HGABLO O=C(CCc1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000011412756 558263893 /nfs/dbraw/zinc/26/38/93/558263893.db2.gz CVJJVRDPIHMXNK-UHFFFAOYSA-N 1 2 419.481 3.347 40 0 HGABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000019819994 558290373 /nfs/dbraw/zinc/29/03/73/558290373.db2.gz LNTCNFKDGIKNDW-SNVBAGLBSA-N 1 2 421.288 3.030 40 0 HGABLO COc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)c(OC)c1 ZINC000012116448 558328608 /nfs/dbraw/zinc/32/86/08/558328608.db2.gz GOUIQMPVQDAYCS-QGZVFWFLSA-N 1 2 408.502 3.123 40 0 HGABLO Cc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)ncc3S(C)(=O)=O)CC2)o1 ZINC000012119401 558330236 /nfs/dbraw/zinc/33/02/36/558330236.db2.gz GZKMKPLDMFHZNS-UHFFFAOYSA-N 1 2 412.515 3.223 40 0 HGABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000020395575 558359817 /nfs/dbraw/zinc/35/98/17/558359817.db2.gz PGWBFONPSPRNLX-LJQANCHMSA-N 1 2 401.869 3.242 40 0 HGABLO COc1ccc([C@H]2NC3=[NH+]CN(C(C)C)CN3c3nc4ccccc4n32)cc1OC ZINC000020638606 558396891 /nfs/dbraw/zinc/39/68/91/558396891.db2.gz CKHZVRFPNZQSAA-FQEVSTJZSA-N 1 2 406.490 3.005 40 0 HGABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1Cl ZINC000020674062 558399090 /nfs/dbraw/zinc/39/90/90/558399090.db2.gz BOZBHZMAKUXJQM-ZDUSSCGKSA-N 1 2 414.897 3.075 40 0 HGABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1Cl ZINC000020801417 558415309 /nfs/dbraw/zinc/41/53/09/558415309.db2.gz QNHXJVLZHMGCOR-RTBURBONSA-N 1 2 411.889 3.105 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(Cl)cc3)C1=O)CC2 ZINC000022609263 558501067 /nfs/dbraw/zinc/50/10/67/558501067.db2.gz YONZYNMQCBMVQU-KRWDZBQOSA-N 1 2 400.862 3.047 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(Cl)cc3)C1=O)CC2 ZINC000022609263 558501071 /nfs/dbraw/zinc/50/10/71/558501071.db2.gz YONZYNMQCBMVQU-KRWDZBQOSA-N 1 2 400.862 3.047 40 0 HGABLO Cc1nc2ccccc2n1CC1CC[NH+](CC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000038535798 558655298 /nfs/dbraw/zinc/65/52/98/558655298.db2.gz AKXUYVLCDGZQDL-UHFFFAOYSA-N 1 2 418.497 3.271 40 0 HGABLO O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038850415 558818857 /nfs/dbraw/zinc/81/88/57/558818857.db2.gz ROQCCKYSKVVKEP-UHFFFAOYSA-N 1 2 424.526 3.358 40 0 HGABLO O=C(C1CCC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019292127 558864276 /nfs/dbraw/zinc/86/42/76/558864276.db2.gz UFVRTOSCHIVBKE-KRWDZBQOSA-N 1 2 423.561 3.242 40 0 HGABLO O=C(C1CCC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019292127 558864278 /nfs/dbraw/zinc/86/42/78/558864278.db2.gz UFVRTOSCHIVBKE-KRWDZBQOSA-N 1 2 423.561 3.242 40 0 HGABLO O=C(NCC[N@@H+]1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)c1ccc(Cl)cc1 ZINC000019367424 558877046 /nfs/dbraw/zinc/87/70/46/558877046.db2.gz GFJPWEIFNJEGLO-SFHVURJKSA-N 1 2 408.933 3.294 40 0 HGABLO O=C(NCC[N@H+]1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)c1ccc(Cl)cc1 ZINC000019367424 558877049 /nfs/dbraw/zinc/87/70/49/558877049.db2.gz GFJPWEIFNJEGLO-SFHVURJKSA-N 1 2 408.933 3.294 40 0 HGABLO CCC(=O)N1CCc2cc(C(=O)C[NH+]3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000057811717 558891002 /nfs/dbraw/zinc/89/10/02/558891002.db2.gz QWIPACSVZQKMRB-UHFFFAOYSA-N 1 2 406.526 3.460 40 0 HGABLO CC[C@@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019499772 558897877 /nfs/dbraw/zinc/89/78/77/558897877.db2.gz YHSFSNKPAFHTEL-AEFFLSMTSA-N 1 2 424.545 3.111 40 0 HGABLO CC[C@@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019499772 558897879 /nfs/dbraw/zinc/89/78/79/558897879.db2.gz YHSFSNKPAFHTEL-AEFFLSMTSA-N 1 2 424.545 3.111 40 0 HGABLO CCc1[nH+]c2cc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)ccc2n1CC ZINC000019523208 558904359 /nfs/dbraw/zinc/90/43/59/558904359.db2.gz UFBUIQHBZUKTMV-FPTDNZKUSA-N 1 2 411.506 3.058 40 0 HGABLO COc1ccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c(OC)c1OC ZINC000019552866 558916197 /nfs/dbraw/zinc/91/61/97/558916197.db2.gz YJIGUKPCPNNAEZ-SFHVURJKSA-N 1 2 411.458 3.336 40 0 HGABLO COc1ccc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c(OC)c1OC ZINC000019552866 558916200 /nfs/dbraw/zinc/91/62/00/558916200.db2.gz YJIGUKPCPNNAEZ-SFHVURJKSA-N 1 2 411.458 3.336 40 0 HGABLO COc1ccc2[nH]c(C[N@@H+]3CCc4c(nc(N5CCC[C@H](C)C5)[nH]c4=O)C3)c(C)c2c1 ZINC000072335628 558936754 /nfs/dbraw/zinc/93/67/54/558936754.db2.gz CXEFOKXNHMPYKK-HNNXBMFYSA-N 1 2 421.545 3.363 40 0 HGABLO COc1ccc2[nH]c(C[N@H+]3CCc4c(nc(N5CCC[C@H](C)C5)[nH]c4=O)C3)c(C)c2c1 ZINC000072335628 558936755 /nfs/dbraw/zinc/93/67/55/558936755.db2.gz CXEFOKXNHMPYKK-HNNXBMFYSA-N 1 2 421.545 3.363 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072345967 558942765 /nfs/dbraw/zinc/94/27/65/558942765.db2.gz AQOZMSLYMPJOBO-AWEZNQCLSA-N 1 2 412.494 3.140 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072345967 558942768 /nfs/dbraw/zinc/94/27/68/558942768.db2.gz AQOZMSLYMPJOBO-AWEZNQCLSA-N 1 2 412.494 3.140 40 0 HGABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@H+](CC(=O)NCc4ccccc4)C3)c(=O)c12 ZINC000072347728 558944705 /nfs/dbraw/zinc/94/47/05/558944705.db2.gz UURASINWOOEKCF-GOSISDBHSA-N 1 2 424.570 3.282 40 0 HGABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@@H+](CC(=O)NCc4ccccc4)C3)c(=O)c12 ZINC000072347728 558944707 /nfs/dbraw/zinc/94/47/07/558944707.db2.gz UURASINWOOEKCF-GOSISDBHSA-N 1 2 424.570 3.282 40 0 HGABLO CCc1c(C)sc2ncn([C@H]3CCC[N@H+](CC(=O)NCc4ccccc4)C3)c(=O)c12 ZINC000072347729 558944711 /nfs/dbraw/zinc/94/47/11/558944711.db2.gz UURASINWOOEKCF-SFHVURJKSA-N 1 2 424.570 3.282 40 0 HGABLO CCc1c(C)sc2ncn([C@H]3CCC[N@@H+](CC(=O)NCc4ccccc4)C3)c(=O)c12 ZINC000072347729 558944713 /nfs/dbraw/zinc/94/47/13/558944713.db2.gz UURASINWOOEKCF-SFHVURJKSA-N 1 2 424.570 3.282 40 0 HGABLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000019658610 558950637 /nfs/dbraw/zinc/95/06/37/558950637.db2.gz FHMUYWXNFIQNJD-UHFFFAOYSA-N 1 2 409.534 3.339 40 0 HGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](c2ccc(-c3cnn(C)c3)cn2)C1 ZINC000019689249 558958516 /nfs/dbraw/zinc/95/85/16/558958516.db2.gz HALUNKSCCPNIJE-IBGZPJMESA-N 1 2 414.513 3.387 40 0 HGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1ccc(C)cc1OC)CC2 ZINC000072372385 558959629 /nfs/dbraw/zinc/95/96/29/558959629.db2.gz UZMZZCJPSJTENT-HXUWFJFHSA-N 1 2 409.534 3.077 40 0 HGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccc(C)cc1OC)CC2 ZINC000072372385 558959630 /nfs/dbraw/zinc/95/96/30/558959630.db2.gz UZMZZCJPSJTENT-HXUWFJFHSA-N 1 2 409.534 3.077 40 0 HGABLO C[C@H](CCc1ccc(F)cc1)Nc1cc(Cn2c3ccccc3n(C)c2=O)[nH+]c(N)n1 ZINC000072373298 558961085 /nfs/dbraw/zinc/96/10/85/558961085.db2.gz YSWRQCWXRUONNO-OAHLLOKOSA-N 1 2 420.492 3.333 40 0 HGABLO CCc1nnsc1C(=O)N1CCC(c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)CC1 ZINC000019692117 558961688 /nfs/dbraw/zinc/96/16/88/558961688.db2.gz WTSLIMWSCLLCTJ-UHFFFAOYSA-N 1 2 408.531 3.468 40 0 HGABLO O=C(C[N@H+]1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)N1CCCC1 ZINC000072378315 558967563 /nfs/dbraw/zinc/96/75/63/558967563.db2.gz OWMBBQYIWAGRQI-FQEVSTJZSA-N 1 2 402.926 3.444 40 0 HGABLO O=C(C[N@@H+]1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)N1CCCC1 ZINC000072378315 558967564 /nfs/dbraw/zinc/96/75/64/558967564.db2.gz OWMBBQYIWAGRQI-FQEVSTJZSA-N 1 2 402.926 3.444 40 0 HGABLO CCOc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCN(C(C)=O)CC4)cc3)cc2c1 ZINC000072396124 558975239 /nfs/dbraw/zinc/97/52/39/558975239.db2.gz FGVVAQQSKBZNQK-UHFFFAOYSA-N 1 2 420.513 3.207 40 0 HGABLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019715521 558976624 /nfs/dbraw/zinc/97/66/24/558976624.db2.gz FKZASTCWFHWUNA-UHFFFAOYSA-N 1 2 414.358 3.426 40 0 HGABLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019715521 558976627 /nfs/dbraw/zinc/97/66/27/558976627.db2.gz FKZASTCWFHWUNA-UHFFFAOYSA-N 1 2 414.358 3.426 40 0 HGABLO COc1cccc([C@@H]2c3ccccc3CC[N@H+]2CC(=O)Nc2nc(C)cc(=O)[nH]2)c1 ZINC000019716009 558977565 /nfs/dbraw/zinc/97/75/65/558977565.db2.gz GDELFNHCLXXVSX-JOCHJYFZSA-N 1 2 404.470 3.085 40 0 HGABLO COc1cccc([C@@H]2c3ccccc3CC[N@@H+]2CC(=O)Nc2nc(C)cc(=O)[nH]2)c1 ZINC000019716009 558977567 /nfs/dbraw/zinc/97/75/67/558977567.db2.gz GDELFNHCLXXVSX-JOCHJYFZSA-N 1 2 404.470 3.085 40 0 HGABLO Cn1c[nH+]c([C@H]2C[C@]3(CN2C(=O)Cc2cccc(F)c2)CCCN(CC2CC2)C3=O)c1 ZINC000585106394 559028791 /nfs/dbraw/zinc/02/87/91/559028791.db2.gz AAJJVECZAFGUIZ-QPPBQGQZSA-N 1 2 424.520 3.094 40 0 HGABLO COc1cc(F)ccc1C(=O)N1CCc2[nH+]cc(-c3ccc(NC(C)=O)cc3)n2CC1 ZINC000585111333 559031959 /nfs/dbraw/zinc/03/19/59/559031959.db2.gz OWGMQXSEGFAKHB-UHFFFAOYSA-N 1 2 422.460 3.355 40 0 HGABLO C[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2 ZINC000096144954 559097032 /nfs/dbraw/zinc/09/70/32/559097032.db2.gz WPNRHOPTWZPWEG-UHFFFAOYSA-N 1 2 419.504 3.090 40 0 HGABLO C[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2 ZINC000096144954 559097033 /nfs/dbraw/zinc/09/70/33/559097033.db2.gz WPNRHOPTWZPWEG-UHFFFAOYSA-N 1 2 419.504 3.090 40 0 HGABLO Cc1[nH+]c(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266823 559107839 /nfs/dbraw/zinc/10/78/39/559107839.db2.gz KYKXXGDRQHOBIJ-LJQANCHMSA-N 1 2 415.497 3.463 40 0 HGABLO Cc1cc(C)nc(Nc2cc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)n1 ZINC000585290756 559123414 /nfs/dbraw/zinc/12/34/14/559123414.db2.gz DRVRURPRMYPCBG-UCFODXPJSA-N 1 2 418.505 3.426 40 0 HGABLO Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ncn2)s1 ZINC000585291540 559123834 /nfs/dbraw/zinc/12/38/34/559123834.db2.gz RLQNGILOXZAQCT-RGDDUWESSA-N 1 2 409.519 3.203 40 0 HGABLO Cn1cc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4ccc(F)cc4F)ccc2C(=O)N3C)cn1 ZINC000514289551 560032461 /nfs/dbraw/zinc/03/24/61/560032461.db2.gz KXCAUIJAIBVMRY-IRLDBZIGSA-N 1 2 424.451 3.083 40 0 biogenic,in-vitro HGABLO Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4ccc(F)cc4F)ccc2C(=O)N3C)cn1 ZINC000514289551 560032463 /nfs/dbraw/zinc/03/24/63/560032463.db2.gz KXCAUIJAIBVMRY-IRLDBZIGSA-N 1 2 424.451 3.083 40 0 biogenic,in-vitro HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000911319 560546190 /nfs/dbraw/zinc/54/61/90/560546190.db2.gz HSSOZBOLGBRERQ-FQEVSTJZSA-N 1 2 424.549 3.490 40 0 HGABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NCc2ccccc2)cc1 ZINC000001346593 560576469 /nfs/dbraw/zinc/57/64/69/560576469.db2.gz KIPZDDBDHXTBLZ-UHFFFAOYSA-N 1 2 405.483 3.233 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000005304748 560625751 /nfs/dbraw/zinc/62/57/51/560625751.db2.gz OFZSRVMXIITFEV-GXRSIYKFSA-N 1 2 402.494 3.447 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000005304748 560625754 /nfs/dbraw/zinc/62/57/54/560625754.db2.gz OFZSRVMXIITFEV-GXRSIYKFSA-N 1 2 402.494 3.447 40 0 HGABLO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000012470699 560780820 /nfs/dbraw/zinc/78/08/20/560780820.db2.gz AWCNXOMBXWQJAF-UHFFFAOYSA-N 1 2 400.450 3.376 40 0 HGABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670285 568494537 /nfs/dbraw/zinc/49/45/37/568494537.db2.gz CRVHXDDCXYMEDM-RTBURBONSA-N 1 2 418.973 3.477 40 0 HGABLO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000222964912 568532540 /nfs/dbraw/zinc/53/25/40/568532540.db2.gz GWXUDQXLEIHNGG-LJQANCHMSA-N 1 2 408.542 3.481 40 0 HGABLO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)s1 ZINC000223168246 568539939 /nfs/dbraw/zinc/53/99/39/568539939.db2.gz JWCJEZOMUXUWBV-RBUKOAKNSA-N 1 2 402.589 3.146 40 0 HGABLO CSc1nc(NCCOC(=O)c2snnc2-c2ccc(F)cc2)cc(C)[nH+]1 ZINC000223844014 568560574 /nfs/dbraw/zinc/56/05/74/568560574.db2.gz SRBTVFZZTUNEPU-UHFFFAOYSA-N 1 2 405.480 3.433 40 0 HGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 ZINC000257205781 568777650 /nfs/dbraw/zinc/77/76/50/568777650.db2.gz BANNWTUBJLIXGU-OAQYLSRUSA-N 1 2 422.460 3.152 40 0 HGABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257240754 568787731 /nfs/dbraw/zinc/78/77/31/568787731.db2.gz HVAQNMGPBAUEHG-UPVQGACJSA-N 1 2 410.514 3.392 40 0 HGABLO COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257240754 568787732 /nfs/dbraw/zinc/78/77/32/568787732.db2.gz HVAQNMGPBAUEHG-UPVQGACJSA-N 1 2 410.514 3.392 40 0 HGABLO CCCN1CC[N@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257242873 568788376 /nfs/dbraw/zinc/78/83/76/568788376.db2.gz IEOOAWPIOKCIOP-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257242873 568788377 /nfs/dbraw/zinc/78/83/77/568788377.db2.gz IEOOAWPIOKCIOP-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257242873 568788379 /nfs/dbraw/zinc/78/83/79/568788379.db2.gz IEOOAWPIOKCIOP-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257242873 568788381 /nfs/dbraw/zinc/78/83/81/568788381.db2.gz IEOOAWPIOKCIOP-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO Cc1cccc2cc(C(=O)N3CCC[C@H](CC(=O)NCCn4cc[nH+]c4)C3)c(C)nc12 ZINC000257278886 568798197 /nfs/dbraw/zinc/79/81/97/568798197.db2.gz OECDUPFQEUECGQ-LJQANCHMSA-N 1 2 419.529 3.107 40 0 HGABLO Cc1nc2c(C)cccn2c1C[N@@H+]1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257299018 568804153 /nfs/dbraw/zinc/80/41/53/568804153.db2.gz ROJVTCBARJIGFA-JOCHJYFZSA-N 1 2 402.502 3.320 40 0 HGABLO Cc1nc2c(C)cccn2c1C[N@H+]1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257299018 568804155 /nfs/dbraw/zinc/80/41/55/568804155.db2.gz ROJVTCBARJIGFA-JOCHJYFZSA-N 1 2 402.502 3.320 40 0 HGABLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)c(OC)c1 ZINC000257307124 568806649 /nfs/dbraw/zinc/80/66/49/568806649.db2.gz SXHXMFCYRYTVQX-HSZRJFAPSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)c(OC)c1 ZINC000257307124 568806651 /nfs/dbraw/zinc/80/66/51/568806651.db2.gz SXHXMFCYRYTVQX-HSZRJFAPSA-N 1 2 417.509 3.309 40 0 HGABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)n1C ZINC000257308309 568806982 /nfs/dbraw/zinc/80/69/82/568806982.db2.gz TWGUPUGXCIFWLK-HNNXBMFYSA-N 1 2 401.474 3.082 40 0 HGABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000306130411 568892798 /nfs/dbraw/zinc/89/27/98/568892798.db2.gz JFJNNRSGCNIWAL-UHFFFAOYSA-N 1 2 423.467 3.300 40 0 HGABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000306130411 568892799 /nfs/dbraw/zinc/89/27/99/568892799.db2.gz JFJNNRSGCNIWAL-UHFFFAOYSA-N 1 2 423.467 3.300 40 0 HGABLO c1cncc(-c2ccc3c([C@H]4C[N@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 ZINC000306131197 568893469 /nfs/dbraw/zinc/89/34/69/568893469.db2.gz JYMKDXYXTHKAPD-JOCHJYFZSA-N 1 2 415.453 3.094 40 0 HGABLO c1cncc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 ZINC000306131197 568893471 /nfs/dbraw/zinc/89/34/71/568893471.db2.gz JYMKDXYXTHKAPD-JOCHJYFZSA-N 1 2 415.453 3.094 40 0 HGABLO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5ccccc5Cl)CC4)nccn23)cn1 ZINC000306135726 568897688 /nfs/dbraw/zinc/89/76/88/568897688.db2.gz OYYYZGMICUCBBH-UHFFFAOYSA-N 1 2 407.909 3.105 40 0 HGABLO O=C(C1CCOCC1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306142299 568903912 /nfs/dbraw/zinc/90/39/12/568903912.db2.gz WVQIYSBPJCFTIC-JOCHJYFZSA-N 1 2 402.498 3.227 40 0 HGABLO Cc1cc(CN2CCC[C@]3(C[N@H+](Cc4ccoc4C)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306144182 568905653 /nfs/dbraw/zinc/90/56/53/568905653.db2.gz YYEVGHXDHDIFKN-FQEVSTJZSA-N 1 2 406.477 3.280 40 0 HGABLO Cc1cc(CN2CCC[C@]3(C[N@@H+](Cc4ccoc4C)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306144182 568905655 /nfs/dbraw/zinc/90/56/55/568905655.db2.gz YYEVGHXDHDIFKN-FQEVSTJZSA-N 1 2 406.477 3.280 40 0 HGABLO OCCCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329024276 568973270 /nfs/dbraw/zinc/97/32/70/568973270.db2.gz OYIZGWUFRBWJJN-UHFFFAOYSA-N 1 2 417.282 3.427 40 0 HGABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CC[N@@H+]21 ZINC000253399391 291233147 /nfs/dbraw/zinc/23/31/47/291233147.db2.gz JAPMMARAOVMBTJ-FQEVSTJZSA-N 1 2 410.493 3.278 40 0 biogenic,in-vitro HGABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CC[N@H+]21 ZINC000253399391 291233150 /nfs/dbraw/zinc/23/31/50/291233150.db2.gz JAPMMARAOVMBTJ-FQEVSTJZSA-N 1 2 410.493 3.278 40 0 biogenic,in-vitro HGABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000015674338 291232056 /nfs/dbraw/zinc/23/20/56/291232056.db2.gz LJMLTMNWJIOWOT-QUCCMNQESA-N 1 2 410.449 3.450 40 0 biogenic,in-vitro HGABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000015674338 291232057 /nfs/dbraw/zinc/23/20/57/291232057.db2.gz LJMLTMNWJIOWOT-QUCCMNQESA-N 1 2 410.449 3.450 40 0 biogenic,in-vitro HGABLO CCCNC(=O)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474451 291234010 /nfs/dbraw/zinc/23/40/10/291234010.db2.gz QMZPZPFEDVMSJF-UHFFFAOYSA-N 1 2 414.575 3.104 40 0 biogenic,in-vitro HGABLO CCCNC(=O)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474451 291234011 /nfs/dbraw/zinc/23/40/11/291234011.db2.gz QMZPZPFEDVMSJF-UHFFFAOYSA-N 1 2 414.575 3.104 40 0 biogenic,in-vitro HGABLO O=C(c1cccc(Cl)c1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372341 132245011 /nfs/dbraw/zinc/24/50/11/132245011.db2.gz GCXRVHKLLNXRIW-UHFFFAOYSA-N 1 2 418.888 3.431 40 0 HGABLO CCc1c(C)sc(NC(=O)C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)c1C(N)=O ZINC000005677717 132307422 /nfs/dbraw/zinc/30/74/22/132307422.db2.gz XKIMQMYARWOZMB-HNNXBMFYSA-N 1 2 414.575 3.175 40 0 HGABLO CCc1c(C)sc(NC(=O)C[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)c1C(N)=O ZINC000005677717 132307423 /nfs/dbraw/zinc/30/74/23/132307423.db2.gz XKIMQMYARWOZMB-HNNXBMFYSA-N 1 2 414.575 3.175 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408617408 557544126 /nfs/dbraw/zinc/54/41/26/557544126.db2.gz GLIDDQAAFSINNG-NRFANRHFSA-N 1 2 410.499 3.070 40 0 HGABLO Cc1cc(-c2ccccc2)[n+](-c2nnc(S(N)(=O)=O)s2)c(-c2ccccc2)c1 ZINC000005534458 557660049 /nfs/dbraw/zinc/66/00/49/557660049.db2.gz ZIPHEPIUBLTQFI-UHFFFAOYSA-N 1 2 409.516 3.105 40 0 HGABLO Cc1ccccc1OCc1nnc(SCC[NH+]2CCOCC2)n1Cc1ccco1 ZINC000035313005 557688696 /nfs/dbraw/zinc/68/86/96/557688696.db2.gz AWUGRRUNSCHLDI-UHFFFAOYSA-N 1 2 414.531 3.231 40 0 HGABLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000035313932 557689647 /nfs/dbraw/zinc/68/96/47/557689647.db2.gz AIWJXTWKQQINIV-UHFFFAOYSA-N 1 2 414.889 3.280 40 0 HGABLO COc1ccc(S(=O)(=O)N2CCC(c3[nH+]c(C)n4ccsc34)CC2)cc1F ZINC000012087547 558322381 /nfs/dbraw/zinc/32/23/81/558322381.db2.gz NZEAJJUSEWBMQU-UHFFFAOYSA-N 1 2 409.508 3.420 40 0 HGABLO CCC[NH+]1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 ZINC000020195596 558345064 /nfs/dbraw/zinc/34/50/64/558345064.db2.gz WGUVUNKBCAELBE-UHFFFAOYSA-N 1 2 414.362 3.425 40 0 HGABLO CCOC(=O)CN(CC[N@H+](CC(=O)OCC)Cc1ccccc1)Cc1ccccc1 ZINC000022462408 558490961 /nfs/dbraw/zinc/49/09/61/558490961.db2.gz LMUBGEJORCPEDQ-UHFFFAOYSA-N 1 2 412.530 3.117 40 0 HGABLO CCOC(=O)CN(CC[N@@H+](CC(=O)OCC)Cc1ccccc1)Cc1ccccc1 ZINC000022462408 558490962 /nfs/dbraw/zinc/49/09/62/558490962.db2.gz LMUBGEJORCPEDQ-UHFFFAOYSA-N 1 2 412.530 3.117 40 0 HGABLO CCOc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)ccc1O ZINC000019531870 558912154 /nfs/dbraw/zinc/91/21/54/558912154.db2.gz KQINMNMQMNNWKL-UHFFFAOYSA-N 1 2 412.534 3.099 40 0 HGABLO CCOc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)ccc1O ZINC000019531870 558912158 /nfs/dbraw/zinc/91/21/58/558912158.db2.gz KQINMNMQMNNWKL-UHFFFAOYSA-N 1 2 412.534 3.099 40 0 HGABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c(OC)c1OC ZINC000019552864 558916212 /nfs/dbraw/zinc/91/62/12/558916212.db2.gz YJIGUKPCPNNAEZ-GOSISDBHSA-N 1 2 411.458 3.336 40 0 HGABLO COc1ccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c(OC)c1OC ZINC000019552864 558916215 /nfs/dbraw/zinc/91/62/15/558916215.db2.gz YJIGUKPCPNNAEZ-GOSISDBHSA-N 1 2 411.458 3.336 40 0 HGABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@H](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000019578091 558933777 /nfs/dbraw/zinc/93/37/77/558933777.db2.gz GIMHANWQCLFAFV-HSZRJFAPSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@H](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000019578091 558933778 /nfs/dbraw/zinc/93/37/78/558933778.db2.gz GIMHANWQCLFAFV-HSZRJFAPSA-N 1 2 417.557 3.488 40 0 HGABLO CCCCc1nc(Cl)c(C[N@@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)[nH]1 ZINC000072335623 558936707 /nfs/dbraw/zinc/93/67/07/558936707.db2.gz OFXBUKIVVBFMIY-AWEZNQCLSA-N 1 2 418.973 3.284 40 0 HGABLO CCCCc1nc(Cl)c(C[N@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)[nH]1 ZINC000072335623 558936709 /nfs/dbraw/zinc/93/67/09/558936709.db2.gz OFXBUKIVVBFMIY-AWEZNQCLSA-N 1 2 418.973 3.284 40 0 HGABLO CCn1c(C)[nH+]c2cc(NS(=O)(=O)c3ccc4c(c3)[C@H](NC(C)=O)CC4)ccc21 ZINC000072345815 558942298 /nfs/dbraw/zinc/94/22/98/558942298.db2.gz UDGMVPMEGFGSSJ-LJQANCHMSA-N 1 2 412.515 3.289 40 0 HGABLO Cc1cc2c(cc1C[N@@H+]1CCc3onc(Nc4ccccc4)c3C1)n(C)c(=O)n2C ZINC000072351381 558947904 /nfs/dbraw/zinc/94/79/04/558947904.db2.gz VUZYXOBNCPCBIM-UHFFFAOYSA-N 1 2 403.486 3.475 40 0 HGABLO Cc1cc2c(cc1C[N@H+]1CCc3onc(Nc4ccccc4)c3C1)n(C)c(=O)n2C ZINC000072351381 558947907 /nfs/dbraw/zinc/94/79/07/558947907.db2.gz VUZYXOBNCPCBIM-UHFFFAOYSA-N 1 2 403.486 3.475 40 0 HGABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Nc3ncccn3)cn2)cc1 ZINC000072353000 558949371 /nfs/dbraw/zinc/94/93/71/558949371.db2.gz ASDPGRRCJOKZOJ-HXUWFJFHSA-N 1 2 404.474 3.399 40 0 HGABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Nc3ncccn3)cn2)cc1 ZINC000072353000 558949375 /nfs/dbraw/zinc/94/93/75/558949375.db2.gz ASDPGRRCJOKZOJ-HXUWFJFHSA-N 1 2 404.474 3.399 40 0 HGABLO CCOCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(NC)n2)C[N@H+](C)CC3)cc1 ZINC000072372312 558959704 /nfs/dbraw/zinc/95/97/04/558959704.db2.gz GIHCPBNDPXRRBI-OAQYLSRUSA-N 1 2 423.561 3.410 40 0 HGABLO CCOCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(NC)n2)C[N@@H+](C)CC3)cc1 ZINC000072372312 558959705 /nfs/dbraw/zinc/95/97/05/558959705.db2.gz GIHCPBNDPXRRBI-OAQYLSRUSA-N 1 2 423.561 3.410 40 0 HGABLO CN(C)c1ncc(-c2ccc(N)[nH+]c2)c(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000019694833 558963542 /nfs/dbraw/zinc/96/35/42/558963542.db2.gz XDUVHUBUAVVTRH-UHFFFAOYSA-N 1 2 416.529 3.136 40 0 HGABLO COCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)C[N@H+](C)CC3)cc1 ZINC000019710282 558972211 /nfs/dbraw/zinc/97/22/11/558972211.db2.gz MDCPPCNGHWLZRR-OAQYLSRUSA-N 1 2 423.561 3.044 40 0 HGABLO COCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)C[N@@H+](C)CC3)cc1 ZINC000019710282 558972213 /nfs/dbraw/zinc/97/22/13/558972213.db2.gz MDCPPCNGHWLZRR-OAQYLSRUSA-N 1 2 423.561 3.044 40 0 HGABLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c(OC)c1 ZINC000257267060 558995626 /nfs/dbraw/zinc/99/56/26/558995626.db2.gz MFUJDZOMWHYGCN-HSZRJFAPSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c(OC)c1 ZINC000257267060 558995627 /nfs/dbraw/zinc/99/56/27/558995627.db2.gz MFUJDZOMWHYGCN-HSZRJFAPSA-N 1 2 417.509 3.309 40 0 HGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccncc1)CC2 ZINC000096037041 559090917 /nfs/dbraw/zinc/09/09/17/559090917.db2.gz HQPOKQPRAXOKFX-UHFFFAOYSA-N 1 2 401.514 3.412 40 0 HGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccncc1)CC2 ZINC000096037041 559090918 /nfs/dbraw/zinc/09/09/18/559090918.db2.gz HQPOKQPRAXOKFX-UHFFFAOYSA-N 1 2 401.514 3.412 40 0 HGABLO C[NH+]1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4cccc(F)c4)cn32)CC1 ZINC000096155277 559099464 /nfs/dbraw/zinc/09/94/64/559099464.db2.gz RFYAGDVRAYXRAP-UHFFFAOYSA-N 1 2 403.461 3.319 40 0 HGABLO CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000017087431 559122629 /nfs/dbraw/zinc/12/26/29/559122629.db2.gz IZEUQYZHKPDFQT-UHFFFAOYSA-N 1 2 406.534 3.201 40 0 HGABLO Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ccn2)n1 ZINC000585291203 559123632 /nfs/dbraw/zinc/12/36/32/559123632.db2.gz LPRLFRBSRXEKLN-QWNKOJSDSA-N 1 2 403.490 3.375 40 0 HGABLO Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)n2)n1 ZINC000585292005 559124614 /nfs/dbraw/zinc/12/46/14/559124614.db2.gz WRACDZQOGBNIMF-KBOKABMXSA-N 1 2 403.490 3.375 40 0 HGABLO CCCCCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c2ccccc12 ZINC000101370813 559146679 /nfs/dbraw/zinc/14/66/79/559146679.db2.gz NDBKREIACBPAFM-UHFFFAOYSA-O 1 2 402.540 3.393 40 0 HGABLO COc1cc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc(OC)c1OC ZINC000104566327 559161276 /nfs/dbraw/zinc/16/12/76/559161276.db2.gz CCROMEATPSCQHG-UHFFFAOYSA-N 1 2 414.502 3.115 40 0 HGABLO Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000894641 560543334 /nfs/dbraw/zinc/54/33/34/560543334.db2.gz OGQJSHLRAFXAFV-QFIPXVFZSA-N 1 2 414.513 3.365 40 0 HGABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000001224840 560572632 /nfs/dbraw/zinc/57/26/32/560572632.db2.gz PKVWVIZFJCEAPJ-HXUWFJFHSA-N 1 2 408.506 3.214 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161875 560601958 /nfs/dbraw/zinc/60/19/58/560601958.db2.gz NRXFMFVUBVTOIA-YWZLYKJASA-N 1 2 424.549 3.490 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161875 560601960 /nfs/dbraw/zinc/60/19/60/560601960.db2.gz NRXFMFVUBVTOIA-YWZLYKJASA-N 1 2 424.549 3.490 40 0 HGABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000004848168 560609764 /nfs/dbraw/zinc/60/97/64/560609764.db2.gz BWXIBQYHKLUWGF-OAQYLSRUSA-N 1 2 424.549 3.130 40 0 HGABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000004848168 560609765 /nfs/dbraw/zinc/60/97/65/560609765.db2.gz BWXIBQYHKLUWGF-OAQYLSRUSA-N 1 2 424.549 3.130 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000100619422 560725657 /nfs/dbraw/zinc/72/56/57/560725657.db2.gz KEOOPWCVXLHHMW-WFASDCNBSA-N 1 2 408.384 3.153 40 0 HGABLO COc1cc2cc(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2cc1OC ZINC000013563066 560816171 /nfs/dbraw/zinc/81/61/71/560816171.db2.gz RJILLQHVRKAGBD-IBGZPJMESA-N 1 2 409.486 3.119 40 0 HGABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(I)cc1 ZINC000016401465 560860546 /nfs/dbraw/zinc/86/05/46/560860546.db2.gz DEPFVTXHGVSVCN-UHFFFAOYSA-N 1 2 422.266 3.376 40 0 HGABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019501980 560873842 /nfs/dbraw/zinc/87/38/42/560873842.db2.gz BUKVTGGQIXTIFJ-UGCAPWQASA-N 1 2 420.509 3.465 40 0 HGABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019529700 560875043 /nfs/dbraw/zinc/87/50/43/560875043.db2.gz KIGAHMOFTZZRJP-UECWXEIQSA-N 1 2 406.482 3.075 40 0 HGABLO CCCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670050 568494588 /nfs/dbraw/zinc/49/45/88/568494588.db2.gz KTJJFKJNXJDOAN-SFHVURJKSA-N 1 2 406.962 3.335 40 0 HGABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223625397 568553736 /nfs/dbraw/zinc/55/37/36/568553736.db2.gz WUKFGCFRORPLFZ-VXKWHMMOSA-N 1 2 421.570 3.293 40 0 HGABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1 ZINC000095533707 568635349 /nfs/dbraw/zinc/63/53/49/568635349.db2.gz BWSLLLHWEDZYPJ-CQSZACIVSA-N 1 2 406.227 3.133 40 0 HGABLO COc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000225777793 568673963 /nfs/dbraw/zinc/67/39/63/568673963.db2.gz SIXLDZJYAMDQNL-UHFFFAOYSA-N 1 2 401.532 3.023 40 0 HGABLO COc1ccc([C@@H]2CN(C(=O)C(C)(C)NC(=O)CCc3ccccc3)CC[N@@H+]2C)cc1 ZINC000257208847 568778723 /nfs/dbraw/zinc/77/87/23/568778723.db2.gz BNUKHUMHRBEGEY-QFIPXVFZSA-N 1 2 423.557 3.038 40 0 HGABLO COc1ccc([C@@H]2CN(C(=O)C(C)(C)NC(=O)CCc3ccccc3)CC[N@H+]2C)cc1 ZINC000257208847 568778726 /nfs/dbraw/zinc/77/87/26/568778726.db2.gz BNUKHUMHRBEGEY-QFIPXVFZSA-N 1 2 423.557 3.038 40 0 HGABLO Cc1nc(N)cc(C2(C)CCN(C(=O)C3(Cc4ccccc4)CCOCC3)CC2)[nH+]1 ZINC000257211981 568779568 /nfs/dbraw/zinc/77/95/68/568779568.db2.gz CBKICOQTTLXQEH-UHFFFAOYSA-N 1 2 408.546 3.287 40 0 HGABLO Cc1cc(N2CCC(C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)CC2)nc[nH+]1 ZINC000257220664 568782036 /nfs/dbraw/zinc/78/20/36/568782036.db2.gz DLPYFPCUDBTYKK-UHFFFAOYSA-N 1 2 410.547 3.237 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@]12CCCO2 ZINC000257226666 568783954 /nfs/dbraw/zinc/78/39/54/568783954.db2.gz FLPXQMMSBXEOTM-LAUBAEHRSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@]12CCCO2 ZINC000257226666 568783956 /nfs/dbraw/zinc/78/39/56/568783956.db2.gz FLPXQMMSBXEOTM-LAUBAEHRSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@@]12CCCO2 ZINC000257227778 568784411 /nfs/dbraw/zinc/78/44/11/568784411.db2.gz FQVRUBBBBPLZKC-RXVVDRJESA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@@]12CCCO2 ZINC000257227778 568784413 /nfs/dbraw/zinc/78/44/13/568784413.db2.gz FQVRUBBBBPLZKC-RXVVDRJESA-N 1 2 401.532 3.327 40 0 HGABLO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257237673 568786901 /nfs/dbraw/zinc/78/69/01/568786901.db2.gz HHOHOSJCJHYPPA-DBXWQHBBSA-N 1 2 415.925 3.267 40 0 HGABLO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccccn1 ZINC000257307307 568806666 /nfs/dbraw/zinc/80/66/66/568806666.db2.gz SYDBJEFGGODYLU-FQEVSTJZSA-N 1 2 404.514 3.498 40 0 HGABLO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccccn1 ZINC000257307307 568806668 /nfs/dbraw/zinc/80/66/68/568806668.db2.gz SYDBJEFGGODYLU-FQEVSTJZSA-N 1 2 404.514 3.498 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(O)cc1 ZINC000261366049 568819707 /nfs/dbraw/zinc/81/97/07/568819707.db2.gz XCSPTDHLPXWHKZ-HNNXBMFYSA-O 1 2 418.296 3.299 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCO[C@@]2(CCCC[C@@H]2NC(C)=O)C1 ZINC000306126218 568888808 /nfs/dbraw/zinc/88/88/08/568888808.db2.gz DPUZVKWEINYENO-OALUTQOASA-N 1 2 416.440 3.244 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCO[C@@]2(CCCC[C@@H]2NC(C)=O)C1 ZINC000306126218 568888809 /nfs/dbraw/zinc/88/88/09/568888809.db2.gz DPUZVKWEINYENO-OALUTQOASA-N 1 2 416.440 3.244 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(C[N@H+](Cc4cc[nH]n4)CC(F)(F)C3)C2=O)c1 ZINC000306131819 568894093 /nfs/dbraw/zinc/89/40/93/568894093.db2.gz KQFYAHGCECPHTI-HXUWFJFHSA-N 1 2 404.461 3.068 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(C[N@@H+](Cc4cc[nH]n4)CC(F)(F)C3)C2=O)c1 ZINC000306131819 568894094 /nfs/dbraw/zinc/89/40/94/568894094.db2.gz KQFYAHGCECPHTI-HXUWFJFHSA-N 1 2 404.461 3.068 40 0 HGABLO Cc1ncsc1C[N@@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306143406 568904881 /nfs/dbraw/zinc/90/48/81/568904881.db2.gz YBRFTXFXZHVXIY-AZUAARDMSA-N 1 2 405.589 3.386 40 0 HGABLO Cc1ncsc1C[N@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306143406 568904883 /nfs/dbraw/zinc/90/48/83/568904883.db2.gz YBRFTXFXZHVXIY-AZUAARDMSA-N 1 2 405.589 3.386 40 0 HGABLO C[C@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328967230 568970361 /nfs/dbraw/zinc/97/03/61/568970361.db2.gz CRONMRRFOLDNLW-CYBMUJFWSA-N 1 2 404.392 3.422 40 0 HGABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)CC2 ZINC000328988390 568971390 /nfs/dbraw/zinc/97/13/90/568971390.db2.gz IGOOWYXYOVFYBX-UHFFFAOYSA-N 1 2 421.526 3.308 40 0 HGABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)CC2 ZINC000328988390 568971392 /nfs/dbraw/zinc/97/13/92/568971392.db2.gz IGOOWYXYOVFYBX-UHFFFAOYSA-N 1 2 421.526 3.308 40 0 HGABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000224353209 569059756 /nfs/dbraw/zinc/05/97/56/569059756.db2.gz LQCUFHTZYFRWIC-UHFFFAOYSA-N 1 2 410.305 3.467 40 0 HGABLO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@H]3C2)cc1OC ZINC000247913471 569315689 /nfs/dbraw/zinc/31/56/89/569315689.db2.gz VJZZKAWLTLRZGT-UWJYYQICSA-N 1 2 400.450 3.094 40 0 HGABLO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@H]3C2)cc1OC ZINC000247913471 569315690 /nfs/dbraw/zinc/31/56/90/569315690.db2.gz VJZZKAWLTLRZGT-UWJYYQICSA-N 1 2 400.450 3.094 40 0 HGABLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692662 569346190 /nfs/dbraw/zinc/34/61/90/569346190.db2.gz KMJGMLAXNOSYRG-VLBBBODESA-N 1 2 416.529 3.476 40 0 HGABLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692662 569346191 /nfs/dbraw/zinc/34/61/91/569346191.db2.gz KMJGMLAXNOSYRG-VLBBBODESA-N 1 2 416.529 3.476 40 0 HGABLO O=C(C[NH+]1CCCC1)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019704985 569347835 /nfs/dbraw/zinc/34/78/35/569347835.db2.gz ZHMPCMUBQOVVKS-KRWDZBQOSA-N 1 2 422.508 3.121 40 0 HGABLO O=C(C1CCC1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475348 291242653 /nfs/dbraw/zinc/24/26/53/291242653.db2.gz JXFDSYBPNXAYSM-UHFFFAOYSA-N 1 2 411.571 3.312 40 0 biogenic,in-vitro HGABLO O=C(C1CCC1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475348 291242655 /nfs/dbraw/zinc/24/26/55/291242655.db2.gz JXFDSYBPNXAYSM-UHFFFAOYSA-N 1 2 411.571 3.312 40 0 biogenic,in-vitro HGABLO OCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 ZINC000015674154 291245967 /nfs/dbraw/zinc/24/59/67/291245967.db2.gz CAPBNTVYDZYAPY-CJNGLKHVSA-N 1 2 409.364 3.149 40 0 biogenic,in-vitro HGABLO OCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 ZINC000015674154 291245969 /nfs/dbraw/zinc/24/59/69/291245969.db2.gz CAPBNTVYDZYAPY-CJNGLKHVSA-N 1 2 409.364 3.149 40 0 biogenic,in-vitro HGABLO Fc1ccc(-c2nc(N3CCN(c4cccc[nH+]4)CC3)ncc2-c2ncc[nH]2)cc1 ZINC000012221942 132357055 /nfs/dbraw/zinc/35/70/55/132357055.db2.gz VMJJAQGIQDIBGH-UHFFFAOYSA-N 1 2 401.449 3.394 40 0 HGABLO Cc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032593763 524416724 /nfs/dbraw/zinc/41/67/24/524416724.db2.gz KOCORJAUWQZPKM-UXHICEINSA-N 1 2 423.962 3.077 40 0 HGABLO Cc1ccc(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032593763 524416739 /nfs/dbraw/zinc/41/67/39/524416739.db2.gz KOCORJAUWQZPKM-UXHICEINSA-N 1 2 423.962 3.077 40 0 HGABLO CCOc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000408574740 557478454 /nfs/dbraw/zinc/47/84/54/557478454.db2.gz MMQDVIVAJLOJOS-UHFFFAOYSA-N 1 2 400.544 3.262 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@H]2C(=O)c1ccccc1 ZINC000035876503 557646691 /nfs/dbraw/zinc/64/66/91/557646691.db2.gz DGCKMEPKTUBWJY-OBZTUIKSSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@H]2C(=O)c1ccccc1 ZINC000035876503 557646693 /nfs/dbraw/zinc/64/66/93/557646693.db2.gz DGCKMEPKTUBWJY-OBZTUIKSSA-N 1 2 424.884 3.184 40 0 HGABLO CCc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(C)cc4)[N@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000035876944 557646989 /nfs/dbraw/zinc/64/69/89/557646989.db2.gz ONUBWOOSJJPPIG-CBPXPLCBSA-N 1 2 402.494 3.393 40 0 HGABLO CCc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(C)cc4)[N@@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000035876944 557646992 /nfs/dbraw/zinc/64/69/92/557646992.db2.gz ONUBWOOSJJPPIG-CBPXPLCBSA-N 1 2 402.494 3.393 40 0 HGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035377983 557700948 /nfs/dbraw/zinc/70/09/48/557700948.db2.gz OFZSRVMXIITFEV-CZYKHXBRSA-N 1 2 402.494 3.447 40 0 HGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035377983 557700952 /nfs/dbraw/zinc/70/09/52/557700952.db2.gz OFZSRVMXIITFEV-CZYKHXBRSA-N 1 2 402.494 3.447 40 0 HGABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 ZINC000019762901 558277461 /nfs/dbraw/zinc/27/74/61/558277461.db2.gz ZBNDTEJGRXYISA-QHCPKHFHSA-N 1 2 421.545 3.411 40 0 HGABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 ZINC000019762901 558277462 /nfs/dbraw/zinc/27/74/62/558277462.db2.gz ZBNDTEJGRXYISA-QHCPKHFHSA-N 1 2 421.545 3.411 40 0 HGABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000012116289 558328610 /nfs/dbraw/zinc/32/86/10/558328610.db2.gz WOAMOOJPVFSDOL-MRXNPFEDSA-N 1 2 417.513 3.334 40 0 HGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000012145818 558337093 /nfs/dbraw/zinc/33/70/93/558337093.db2.gz NPDNIGKFFUHORI-KRWDZBQOSA-N 1 2 406.486 3.318 40 0 HGABLO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020491430 558377939 /nfs/dbraw/zinc/37/79/39/558377939.db2.gz UKXFDXLJOZQGRW-OAHLLOKOSA-N 1 2 402.878 3.180 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C1=O)CC2 ZINC000022609317 558501028 /nfs/dbraw/zinc/50/10/28/558501028.db2.gz XGVZDRJKQCJUDH-QGZVFWFLSA-N 1 2 418.852 3.187 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C1=O)CC2 ZINC000022609317 558501031 /nfs/dbraw/zinc/50/10/31/558501031.db2.gz XGVZDRJKQCJUDH-QGZVFWFLSA-N 1 2 418.852 3.187 40 0 HGABLO CCn1ncc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000023379140 558555242 /nfs/dbraw/zinc/55/52/42/558555242.db2.gz BLFWAOBZFXGPSM-UHFFFAOYSA-N 1 2 424.570 3.307 40 0 HGABLO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+](Cc4nc5ccccc5[nH]4)CC3)c12 ZINC000027178631 558670731 /nfs/dbraw/zinc/67/07/31/558670731.db2.gz HJEKPBMCQSTCMO-UHFFFAOYSA-N 1 2 410.485 3.014 40 0 HGABLO COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 ZINC000019079065 558838760 /nfs/dbraw/zinc/83/87/60/558838760.db2.gz XDNJWNOFZUCUIB-WMZHIEFXSA-N 1 2 404.514 3.387 40 0 HGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 ZINC000019081057 558839208 /nfs/dbraw/zinc/83/92/08/558839208.db2.gz BKXHXTIWEHNAFO-QGZVFWFLSA-N 1 2 424.545 3.111 40 0 HGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 ZINC000019081057 558839212 /nfs/dbraw/zinc/83/92/12/558839212.db2.gz BKXHXTIWEHNAFO-QGZVFWFLSA-N 1 2 424.545 3.111 40 0 HGABLO Cc1ccc(C)c(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000019366002 558876873 /nfs/dbraw/zinc/87/68/73/558876873.db2.gz NJOYXILDEFCESZ-RPWUZVMVSA-N 1 2 408.542 3.260 40 0 HGABLO CCC(=O)N1CCc2cc(C(=O)C[NH+]3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000057811710 558890860 /nfs/dbraw/zinc/89/08/60/558890860.db2.gz ZIUSBNCGNNXTDS-UHFFFAOYSA-N 1 2 406.526 3.460 40 0 HGABLO COc1ccc(C2=NO[C@@](C)(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)C2)cc1 ZINC000019460849 558893523 /nfs/dbraw/zinc/89/35/23/558893523.db2.gz QCTPUKWTISZPHF-NZQKXSOJSA-N 1 2 422.460 3.357 40 0 HGABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)C(C)C)CC4)[nH]n3c(=O)c2C1 ZINC000019500284 558898521 /nfs/dbraw/zinc/89/85/21/558898521.db2.gz HSYMFVGGMGFOKO-UHFFFAOYSA-N 1 2 413.566 3.344 40 0 HGABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C(C)C)CC4)[nH]n3c(=O)c2C1 ZINC000019500284 558898522 /nfs/dbraw/zinc/89/85/22/558898522.db2.gz HSYMFVGGMGFOKO-UHFFFAOYSA-N 1 2 413.566 3.344 40 0 HGABLO Cc1cc(=O)n(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c2ccccc12 ZINC000019566495 558926080 /nfs/dbraw/zinc/92/60/80/558926080.db2.gz VKYSFQDMYIXZIA-JOCHJYFZSA-N 1 2 404.445 3.088 40 0 HGABLO Cc1cc(=O)n(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c2ccccc12 ZINC000019566492 558926139 /nfs/dbraw/zinc/92/61/39/558926139.db2.gz VKYSFQDMYIXZIA-QFIPXVFZSA-N 1 2 404.445 3.088 40 0 HGABLO COc1ccc(C[N@H+](C)CC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019586419 558939409 /nfs/dbraw/zinc/93/94/09/558939409.db2.gz MROXQMOXALKLGA-DEOSSOPVSA-N 1 2 420.513 3.033 40 0 HGABLO COc1ccc(C[N@@H+](C)CC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019586419 558939411 /nfs/dbraw/zinc/93/94/11/558939411.db2.gz MROXQMOXALKLGA-DEOSSOPVSA-N 1 2 420.513 3.033 40 0 HGABLO CC(C)c1ccc(NC(=O)C[NH+]2CCC(Nc3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1 ZINC000072341832 558940041 /nfs/dbraw/zinc/94/00/41/558940041.db2.gz FBOMKQHTCJZTJS-UHFFFAOYSA-N 1 2 423.561 3.287 40 0 HGABLO COCCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019593593 558944564 /nfs/dbraw/zinc/94/45/64/558944564.db2.gz FQZNJJZQJMIROI-UHFFFAOYSA-N 1 2 405.502 3.164 40 0 HGABLO COCCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000019593593 558944566 /nfs/dbraw/zinc/94/45/66/558944566.db2.gz FQZNJJZQJMIROI-UHFFFAOYSA-N 1 2 405.502 3.164 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@H+](CC(=O)NCC4CC4)C3)c(=O)c2c1C ZINC000072347708 558944721 /nfs/dbraw/zinc/94/47/21/558944721.db2.gz PAZKUBXOVUMCEM-QGZVFWFLSA-N 1 2 416.591 3.361 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@@H+](CC(=O)NCC4CC4)C3)c(=O)c2c1C ZINC000072347708 558944722 /nfs/dbraw/zinc/94/47/22/558944722.db2.gz PAZKUBXOVUMCEM-QGZVFWFLSA-N 1 2 416.591 3.361 40 0 HGABLO Nc1ncc(-c2ccc([C@H]3CCC[N@H+](CC(=O)Nc4ccccc4F)C3)nc2)cn1 ZINC000019688599 558958049 /nfs/dbraw/zinc/95/80/49/558958049.db2.gz UHQHBRQOELZXSN-INIZCTEOSA-N 1 2 406.465 3.078 40 0 HGABLO Nc1ncc(-c2ccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccccc4F)C3)nc2)cn1 ZINC000019688599 558958052 /nfs/dbraw/zinc/95/80/52/558958052.db2.gz UHQHBRQOELZXSN-INIZCTEOSA-N 1 2 406.465 3.078 40 0 HGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](c2ccc(-c3cnn(C)c3)cn2)C1 ZINC000019689247 558958497 /nfs/dbraw/zinc/95/84/97/558958497.db2.gz HALUNKSCCPNIJE-LJQANCHMSA-N 1 2 414.513 3.387 40 0 HGABLO Cn1c[nH+]c([C@@H]2C[C@@]3(CN2C(=O)c2cccc(F)c2)CCCN(CC2CC2)C3=O)c1 ZINC000585106423 559028809 /nfs/dbraw/zinc/02/88/09/559028809.db2.gz FPPYNMLGBJTDKF-NZQKXSOJSA-N 1 2 410.493 3.165 40 0 HGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccn1C)CC2 ZINC000096037040 559090955 /nfs/dbraw/zinc/09/09/55/559090955.db2.gz VPFQJSRQMBIVJR-UHFFFAOYSA-N 1 2 403.530 3.356 40 0 HGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccn1C)CC2 ZINC000096037040 559090956 /nfs/dbraw/zinc/09/09/56/559090956.db2.gz VPFQJSRQMBIVJR-UHFFFAOYSA-N 1 2 403.530 3.356 40 0 HGABLO Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)c4ccsc4)nc3C2)s1 ZINC000096059651 559094153 /nfs/dbraw/zinc/09/41/53/559094153.db2.gz PXFXUGCAOUTXBJ-UHFFFAOYSA-N 1 2 414.556 3.011 40 0 HGABLO Cc1ccc(C[N@H+]2CCCn3c(=O)cc(CNC(=O)c4ccsc4)nc3C2)s1 ZINC000096059651 559094154 /nfs/dbraw/zinc/09/41/54/559094154.db2.gz PXFXUGCAOUTXBJ-UHFFFAOYSA-N 1 2 414.556 3.011 40 0 HGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2 ZINC000096263312 559107120 /nfs/dbraw/zinc/10/71/20/559107120.db2.gz KQQIWWALZCEPEG-UHFFFAOYSA-N 1 2 415.541 3.341 40 0 HGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2 ZINC000096263312 559107121 /nfs/dbraw/zinc/10/71/21/559107121.db2.gz KQQIWWALZCEPEG-UHFFFAOYSA-N 1 2 415.541 3.341 40 0 HGABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)N(C)Cc1ccccn1)N(Cc1cccnc1)CC2 ZINC000096265051 559107524 /nfs/dbraw/zinc/10/75/24/559107524.db2.gz AMSTYQLFGVFIEJ-JOCHJYFZSA-N 1 2 404.518 3.012 40 0 HGABLO O=C(Nc1cccnc1)c1cn(-c2[nH+]c(CNc3cccnc3)c3ccccn32)cn1 ZINC000096267081 559107987 /nfs/dbraw/zinc/10/79/87/559107987.db2.gz GRKRQHOBCKVGAL-UHFFFAOYSA-N 1 2 410.441 3.174 40 0 HGABLO Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc2)n1 ZINC000585291097 559123595 /nfs/dbraw/zinc/12/35/95/559123595.db2.gz KCHNNULMXDWJOO-JKNJVXJCSA-N 1 2 403.490 3.375 40 0 HGABLO Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)C[NH+]4Cc5ccccc5C4)CC3)n2n1 ZINC000100159379 559131350 /nfs/dbraw/zinc/13/13/50/559131350.db2.gz YKWFLWKWFPVGNO-KDURUIRLSA-N 1 2 403.530 3.444 40 0 HGABLO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000004967715 560622119 /nfs/dbraw/zinc/62/21/19/560622119.db2.gz PWYYUHXFVKLPQB-UHFFFAOYSA-N 1 2 417.435 3.224 40 0 HGABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670284 568494595 /nfs/dbraw/zinc/49/45/95/568494595.db2.gz CRVHXDDCXYMEDM-MOPGFXCFSA-N 1 2 418.973 3.477 40 0 HGABLO Cc1ccc(C)c(N2CC[NH+]([C@H](CC(C)C)c3nnnn3C[C@H]3CCCO3)CC2)c1 ZINC000057670511 568494675 /nfs/dbraw/zinc/49/46/75/568494675.db2.gz NEQLBBBDOZNFGI-IFMALSPDSA-N 1 2 412.582 3.378 40 0 HGABLO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670990 568494977 /nfs/dbraw/zinc/49/49/77/568494977.db2.gz PRZMGSOFJKDQNB-QFIPXVFZSA-N 1 2 406.534 3.393 40 0 HGABLO c1ccc(COc2ccccc2C[N@H+](CCN2CCOCC2)Cc2cccnc2)nc1 ZINC000022931406 568500801 /nfs/dbraw/zinc/50/08/01/568500801.db2.gz FQDYQNZPDJYEPI-UHFFFAOYSA-N 1 2 418.541 3.390 40 0 HGABLO c1ccc(COc2ccccc2C[N@@H+](CCN2CCOCC2)Cc2cccnc2)nc1 ZINC000022931406 568500803 /nfs/dbraw/zinc/50/08/03/568500803.db2.gz FQDYQNZPDJYEPI-UHFFFAOYSA-N 1 2 418.541 3.390 40 0 HGABLO c1ccc(COc2ccccc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)nc1 ZINC000022931406 568500806 /nfs/dbraw/zinc/50/08/06/568500806.db2.gz FQDYQNZPDJYEPI-UHFFFAOYSA-N 1 2 418.541 3.390 40 0 HGABLO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)s1 ZINC000223168285 568539926 /nfs/dbraw/zinc/53/99/26/568539926.db2.gz JWCJEZOMUXUWBV-OALUTQOASA-N 1 2 402.589 3.146 40 0 HGABLO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)s1 ZINC000223168199 568539935 /nfs/dbraw/zinc/53/99/35/568539935.db2.gz JWCJEZOMUXUWBV-MOPGFXCFSA-N 1 2 402.589 3.146 40 0 HGABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OC ZINC000095534278 568635358 /nfs/dbraw/zinc/63/53/58/568635358.db2.gz VMZJXZVMIXGGHU-INIZCTEOSA-N 1 2 419.279 3.395 40 0 HGABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1C ZINC000257211301 568779358 /nfs/dbraw/zinc/77/93/58/568779358.db2.gz BYJXLERGEGBNFF-INIZCTEOSA-N 1 2 401.474 3.082 40 0 HGABLO Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2cccc(-c3ccc(N)[nH+]c3)n2)C1 ZINC000257305173 568806158 /nfs/dbraw/zinc/80/61/58/568806158.db2.gz SOSJNJRANIHWCK-JOCHJYFZSA-N 1 2 418.497 3.403 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257307496 568806777 /nfs/dbraw/zinc/80/67/77/568806777.db2.gz SYWKLKFGIBGHMQ-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257307496 568806780 /nfs/dbraw/zinc/80/67/80/568806780.db2.gz SYWKLKFGIBGHMQ-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)CC[C@@H]1Oc1ccccc1 ZINC000257331589 568813623 /nfs/dbraw/zinc/81/36/23/568813623.db2.gz XTNGXKQHTKWOLY-RXVVDRJESA-N 1 2 415.490 3.278 40 0 HGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)CC[C@@H]1Oc1ccccc1 ZINC000257331589 568813625 /nfs/dbraw/zinc/81/36/25/568813625.db2.gz XTNGXKQHTKWOLY-RXVVDRJESA-N 1 2 415.490 3.278 40 0 HGABLO O=C(NCC[NH+]1CCOCC1)C1(Cc2ccccc2-c2cccs2)CCOCC1 ZINC000257337759 568815374 /nfs/dbraw/zinc/81/53/74/568815374.db2.gz YUFNBUMDECFJJL-UHFFFAOYSA-N 1 2 414.571 3.203 40 0 HGABLO COc1ncccc1C[N@@H+]1CCN(C)[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 ZINC000306135090 568896904 /nfs/dbraw/zinc/89/69/04/568896904.db2.gz OHOBBIBDYNEWCA-JOCHJYFZSA-N 1 2 414.513 3.289 40 0 HGABLO COc1ncccc1C[N@H+]1CCN(C)[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 ZINC000306135090 568896907 /nfs/dbraw/zinc/89/69/07/568896907.db2.gz OHOBBIBDYNEWCA-JOCHJYFZSA-N 1 2 414.513 3.289 40 0 HGABLO Cc1cc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)c(C)o1 ZINC000306137571 568899355 /nfs/dbraw/zinc/89/93/55/568899355.db2.gz RADWNGNXDVKTGD-UHFFFAOYSA-N 1 2 423.492 3.371 40 0 HGABLO Cc1cc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)c(C)o1 ZINC000306137571 568899357 /nfs/dbraw/zinc/89/93/57/568899357.db2.gz RADWNGNXDVKTGD-UHFFFAOYSA-N 1 2 423.492 3.371 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306140459 568902369 /nfs/dbraw/zinc/90/23/69/568902369.db2.gz UUIWNSXPINNJPF-CTNGQTDRSA-N 1 2 413.930 3.496 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306140459 568902372 /nfs/dbraw/zinc/90/23/72/568902372.db2.gz UUIWNSXPINNJPF-CTNGQTDRSA-N 1 2 413.930 3.496 40 0 HGABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306142567 568904241 /nfs/dbraw/zinc/90/42/41/568904241.db2.gz XDIUEFNZKNEEFT-TZIWHRDSSA-N 1 2 409.486 3.346 40 0 HGABLO Cc1cccc(C[N@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306142567 568904242 /nfs/dbraw/zinc/90/42/42/568904242.db2.gz XDIUEFNZKNEEFT-TZIWHRDSSA-N 1 2 409.486 3.346 40 0 HGABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306142566 568904303 /nfs/dbraw/zinc/90/43/03/568904303.db2.gz XDIUEFNZKNEEFT-PZJWPPBQSA-N 1 2 409.486 3.346 40 0 HGABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)n1 ZINC000306142566 568904304 /nfs/dbraw/zinc/90/43/04/568904304.db2.gz XDIUEFNZKNEEFT-PZJWPPBQSA-N 1 2 409.486 3.346 40 0 HGABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016806109 568938055 /nfs/dbraw/zinc/93/80/55/568938055.db2.gz ABRNRMCBTPZDPW-ZJUUUORDSA-N 1 2 404.357 3.378 40 0 HGABLO C[C@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328979154 568970795 /nfs/dbraw/zinc/97/07/95/568970795.db2.gz GDFKFYILRFOKHL-SECBINFHSA-N 1 2 402.804 3.286 40 0 HGABLO OCCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329043595 568974413 /nfs/dbraw/zinc/97/44/13/568974413.db2.gz SSBHCGHGCZTUSI-UHFFFAOYSA-N 1 2 417.229 3.127 40 0 HGABLO CCOc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1C ZINC000261365639 569413805 /nfs/dbraw/zinc/41/38/05/569413805.db2.gz UJMBCNRHYCUAHO-NRFANRHFSA-O 1 2 423.518 3.479 40 0 HGABLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@H+](C)C2)cc1 ZINC000020464417 575366892 /nfs/dbraw/zinc/36/68/92/575366892.db2.gz DGTXWQPKGPETIN-IRXDYDNUSA-N 1 2 421.457 3.341 40 0 biogenic,in-vitro HGABLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@@H+](C)C2)cc1 ZINC000020464417 575366896 /nfs/dbraw/zinc/36/68/96/575366896.db2.gz DGTXWQPKGPETIN-IRXDYDNUSA-N 1 2 421.457 3.341 40 0 biogenic,in-vitro HGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCCCC3)CC[N@@H+]21 ZINC000253404975 291233180 /nfs/dbraw/zinc/23/31/80/291233180.db2.gz ROWYIZYLVXPIBC-NRFANRHFSA-N 1 2 412.578 3.084 40 0 biogenic,in-vitro HGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCCCC3)CC[N@H+]21 ZINC000253404975 291233182 /nfs/dbraw/zinc/23/31/82/291233182.db2.gz ROWYIZYLVXPIBC-NRFANRHFSA-N 1 2 412.578 3.084 40 0 biogenic,in-vitro HGABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4OC)C[C@H]3F)nc2c1 ZINC000096112376 291236268 /nfs/dbraw/zinc/23/62/68/291236268.db2.gz MNXDGDYPUCKDKT-UZLBHIALSA-N 1 2 413.449 3.097 40 0 biogenic,in-vitro HGABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4OC)C[C@H]3F)nc2c1 ZINC000096112376 291236270 /nfs/dbraw/zinc/23/62/70/291236270.db2.gz MNXDGDYPUCKDKT-UZLBHIALSA-N 1 2 413.449 3.097 40 0 biogenic,in-vitro HGABLO COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000225433008 291239732 /nfs/dbraw/zinc/23/97/32/291239732.db2.gz UDNSICLAFVFYGM-KRWDZBQOSA-N 1 2 421.497 3.362 40 0 biogenic,in-vitro HGABLO COc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2C1 ZINC000010157304 132345379 /nfs/dbraw/zinc/34/53/79/132345379.db2.gz HFXFVDSXESCLKJ-KRWDZBQOSA-N 1 2 415.497 3.120 40 0 HGABLO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032593762 524417270 /nfs/dbraw/zinc/41/72/70/524417270.db2.gz KOCORJAUWQZPKM-WOJBJXKFSA-N 1 2 423.962 3.077 40 0 HGABLO Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032593762 524417278 /nfs/dbraw/zinc/41/72/78/524417278.db2.gz KOCORJAUWQZPKM-WOJBJXKFSA-N 1 2 423.962 3.077 40 0 HGABLO O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044842891 527190614 /nfs/dbraw/zinc/19/06/14/527190614.db2.gz VQWGGIVSLKNBEA-UHFFFAOYSA-N 1 2 406.305 3.254 40 0 HGABLO COc1ccccc1[C@]1(O)CCC[N@H+](CC(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012327858 537111457 /nfs/dbraw/zinc/11/14/57/537111457.db2.gz RKRCFSOQIYRFBS-VWLOTQADSA-N 1 2 422.525 3.161 40 0 HGABLO COc1ccccc1[C@]1(O)CCC[N@@H+](CC(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012327858 537111460 /nfs/dbraw/zinc/11/14/60/537111460.db2.gz RKRCFSOQIYRFBS-VWLOTQADSA-N 1 2 422.525 3.161 40 0 HGABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000035889689 557649906 /nfs/dbraw/zinc/64/99/06/557649906.db2.gz DNFVZNPHOQSYCX-WCIQWLHISA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000035889689 557649908 /nfs/dbraw/zinc/64/99/08/557649908.db2.gz DNFVZNPHOQSYCX-WCIQWLHISA-N 1 2 408.885 3.484 40 0 HGABLO COc1cc2cc(N)c(C3CCN(C(=O)CCCn4cc[nH+]c4)CC3)nc2cc1OC ZINC000012087984 558322665 /nfs/dbraw/zinc/32/26/65/558322665.db2.gz GMNQAZZMXFJPPX-UHFFFAOYSA-N 1 2 423.517 3.217 40 0 HGABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccccc1N1CCCCCC1 ZINC000012114543 558327672 /nfs/dbraw/zinc/32/76/72/558327672.db2.gz BYYXMTHXVQKXBJ-UHFFFAOYSA-N 1 2 408.546 3.384 40 0 HGABLO CCOc1c(Cl)cc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)cc1OC ZINC000012222177 558356117 /nfs/dbraw/zinc/35/61/17/558356117.db2.gz LSJOLGRPGGWEBV-UHFFFAOYSA-N 1 2 417.941 3.278 40 0 HGABLO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020489693 558377471 /nfs/dbraw/zinc/37/74/71/558377471.db2.gz GMQPIQZJQGYZAE-MRXNPFEDSA-N 1 2 414.527 3.249 40 0 HGABLO CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022438161 558489717 /nfs/dbraw/zinc/48/97/17/558489717.db2.gz XGOMYCWDWUWMQJ-UHFFFAOYSA-N 1 2 413.543 3.434 40 0 HGABLO CC(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019085504 558841191 /nfs/dbraw/zinc/84/11/91/558841191.db2.gz YSXNOAKFEUXACK-INIZCTEOSA-N 1 2 411.550 3.098 40 0 HGABLO CC(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019085504 558841194 /nfs/dbraw/zinc/84/11/94/558841194.db2.gz YSXNOAKFEUXACK-INIZCTEOSA-N 1 2 411.550 3.098 40 0 HGABLO O=C(c1cccc(F)c1)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)c[nH]c2=O)CC1 ZINC000019293582 558865240 /nfs/dbraw/zinc/86/52/40/558865240.db2.gz VFKNODAGYKIWNS-UHFFFAOYSA-N 1 2 409.436 3.278 40 0 HGABLO FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@H]3C[NH+]3CCOCC3)n2)cc1 ZINC000019336976 558870314 /nfs/dbraw/zinc/87/03/14/558870314.db2.gz BPWCNQUJHOIATI-KRWDZBQOSA-N 1 2 410.440 3.442 40 0 HGABLO Fc1ccc(-n2cccc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)c(F)c1 ZINC000019338662 558870885 /nfs/dbraw/zinc/87/08/85/558870885.db2.gz MOXBOSVACSXNBA-UHFFFAOYSA-N 1 2 412.484 3.485 40 0 HGABLO Fc1ccccc1Cn1cccc1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019349783 558875396 /nfs/dbraw/zinc/87/53/96/558875396.db2.gz HUIFOAXORITUPE-UHFFFAOYSA-N 1 2 408.521 3.405 40 0 HGABLO Fc1ccccc1Cn1cccc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019349783 558875397 /nfs/dbraw/zinc/87/53/97/558875397.db2.gz HUIFOAXORITUPE-UHFFFAOYSA-N 1 2 408.521 3.405 40 0 HGABLO Fc1ccccc1Cn1cccc1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019349783 558875399 /nfs/dbraw/zinc/87/53/99/558875399.db2.gz HUIFOAXORITUPE-UHFFFAOYSA-N 1 2 408.521 3.405 40 0 HGABLO COc1cccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1OC ZINC000019453719 558890976 /nfs/dbraw/zinc/89/09/76/558890976.db2.gz YYTATCDNKKPAKF-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO COc1cccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1OC ZINC000019453719 558890977 /nfs/dbraw/zinc/89/09/77/558890977.db2.gz YYTATCDNKKPAKF-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO CCCN1CC[N@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503338 558900615 /nfs/dbraw/zinc/90/06/15/558900615.db2.gz WXCQSQPRXWMRFS-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503338 558900618 /nfs/dbraw/zinc/90/06/18/558900618.db2.gz WXCQSQPRXWMRFS-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CCN(Cc2[nH]cc[nH+]2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503338 558900621 /nfs/dbraw/zinc/90/06/21/558900621.db2.gz WXCQSQPRXWMRFS-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC[C@@H]1c1nnc(SC)n1C ZINC000019523270 558904378 /nfs/dbraw/zinc/90/43/78/558904378.db2.gz DHQUPDFPYWISPW-WMLDXEAASA-N 1 2 412.563 3.449 40 0 HGABLO Cc1cc(C)n(CC(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c(=O)n1 ZINC000019572420 558930645 /nfs/dbraw/zinc/93/06/45/558930645.db2.gz ZEXVWSWYUULTNB-UHFFFAOYSA-N 1 2 401.470 3.160 40 0 HGABLO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)nn1 ZINC000019660083 558951307 /nfs/dbraw/zinc/95/13/07/558951307.db2.gz PKKCKNIZGIPIFV-QFIPXVFZSA-N 1 2 422.508 3.160 40 0 HGABLO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)nn1 ZINC000019660083 558951308 /nfs/dbraw/zinc/95/13/08/558951308.db2.gz PKKCKNIZGIPIFV-QFIPXVFZSA-N 1 2 422.508 3.160 40 0 HGABLO Nc1ncc(-c2ccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccccc4F)C3)nc2)cn1 ZINC000019688597 558958086 /nfs/dbraw/zinc/95/80/86/558958086.db2.gz UHQHBRQOELZXSN-MRXNPFEDSA-N 1 2 406.465 3.078 40 0 HGABLO Nc1ncc(-c2ccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccccc4F)C3)nc2)cn1 ZINC000019688597 558958090 /nfs/dbraw/zinc/95/80/90/558958090.db2.gz UHQHBRQOELZXSN-MRXNPFEDSA-N 1 2 406.465 3.078 40 0 HGABLO Cn1ccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000072389650 558970234 /nfs/dbraw/zinc/97/02/34/558970234.db2.gz QTAGOOIJPOLLRO-OAQYLSRUSA-N 1 2 416.447 3.241 40 0 HGABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000019718461 558981780 /nfs/dbraw/zinc/98/17/80/558981780.db2.gz GELTUNKEZNZLEZ-HNNXBMFYSA-N 1 2 414.531 3.357 40 0 HGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccnc1)CC2 ZINC000096037042 559090900 /nfs/dbraw/zinc/09/09/00/559090900.db2.gz RHYCOFQTZQCDCF-UHFFFAOYSA-N 1 2 401.514 3.412 40 0 HGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccnc1)CC2 ZINC000096037042 559090902 /nfs/dbraw/zinc/09/09/02/559090902.db2.gz RHYCOFQTZQCDCF-UHFFFAOYSA-N 1 2 401.514 3.412 40 0 HGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2 ZINC000096263311 559107107 /nfs/dbraw/zinc/10/71/07/559107107.db2.gz NNBPNBHHRGZBHN-UHFFFAOYSA-N 1 2 405.502 3.314 40 0 HGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2 ZINC000096263311 559107108 /nfs/dbraw/zinc/10/71/08/559107108.db2.gz NNBPNBHHRGZBHN-UHFFFAOYSA-N 1 2 405.502 3.314 40 0 HGABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000000889368 560541976 /nfs/dbraw/zinc/54/19/76/560541976.db2.gz GMHJUPYGGXVEOS-OAQYLSRUSA-N 1 2 400.486 3.057 40 0 HGABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)cc2c1 ZINC000000907662 560545758 /nfs/dbraw/zinc/54/57/58/560545758.db2.gz QCYONIKXGLCGJD-OAQYLSRUSA-N 1 2 418.476 3.196 40 0 HGABLO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000001224820 560572606 /nfs/dbraw/zinc/57/26/06/560572606.db2.gz NRAZFABSROGYDO-HXUWFJFHSA-N 1 2 408.506 3.214 40 0 HGABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1C ZINC000409409480 560722818 /nfs/dbraw/zinc/72/28/18/560722818.db2.gz PKFOZHXKOKTBOR-UHFFFAOYSA-N 1 2 421.950 3.145 40 0 HGABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1cccc2ccccc21 ZINC000014607696 560847219 /nfs/dbraw/zinc/84/72/19/560847219.db2.gz HRFYLMRDGSSTHN-UHFFFAOYSA-N 1 2 414.513 3.203 40 0 HGABLO CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670361 568494625 /nfs/dbraw/zinc/49/46/25/568494625.db2.gz PKSCXRDJJQPXCK-RTBURBONSA-N 1 2 404.946 3.025 40 0 HGABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1 ZINC000219858133 568499242 /nfs/dbraw/zinc/49/92/42/568499242.db2.gz AYUVINHEYQDODT-UHFFFAOYSA-N 1 2 407.514 3.323 40 0 HGABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CC[NH+]1CCOCC1 ZINC000223125827 568538590 /nfs/dbraw/zinc/53/85/90/568538590.db2.gz FYWZDWDQTWFZCR-IRXDYDNUSA-N 1 2 408.980 3.101 40 0 HGABLO CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223171280 568540113 /nfs/dbraw/zinc/54/01/13/568540113.db2.gz PXLGOZXSKVUMJO-LEWJYISDSA-N 1 2 413.591 3.159 40 0 HGABLO C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000223652228 568555064 /nfs/dbraw/zinc/55/50/64/568555064.db2.gz MRLHXRLEDIKVEH-UHFFFAOYSA-N 1 2 409.511 3.028 40 0 HGABLO O=C(COc1cccc2c1CCCC2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224602500 568587690 /nfs/dbraw/zinc/58/76/90/568587690.db2.gz FVCHBBNAEVWMNE-UHFFFAOYSA-N 1 2 408.498 3.017 40 0 HGABLO CCOC(=O)c1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778434 568674130 /nfs/dbraw/zinc/67/41/30/568674130.db2.gz LCBCCEDKSVNNNN-UHFFFAOYSA-N 1 2 413.543 3.182 40 0 HGABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000096299532 568721767 /nfs/dbraw/zinc/72/17/67/568721767.db2.gz DLOHUQLFLSYEHQ-MOPGFXCFSA-N 1 2 404.946 3.169 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@]12CCCO2 ZINC000257202172 568776834 /nfs/dbraw/zinc/77/68/34/568776834.db2.gz AKTIOZUGYUPCOF-NQIIRXRSSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@]12CCCO2 ZINC000257202172 568776835 /nfs/dbraw/zinc/77/68/35/568776835.db2.gz AKTIOZUGYUPCOF-NQIIRXRSSA-N 1 2 419.522 3.081 40 0 HGABLO CC(C)c1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257230852 568785143 /nfs/dbraw/zinc/78/51/43/568785143.db2.gz GEEHRNZGHYNKKN-SFTDATJTSA-N 1 2 409.534 3.361 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@]12CCCO2 ZINC000257238040 568787060 /nfs/dbraw/zinc/78/70/60/568787060.db2.gz HJIXAHIEYIXQGH-DYESRHJHSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@]12CCCO2 ZINC000257238040 568787062 /nfs/dbraw/zinc/78/70/62/568787062.db2.gz HJIXAHIEYIXQGH-DYESRHJHSA-N 1 2 419.522 3.466 40 0 HGABLO CCCN1CC[N@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286514 568800414 /nfs/dbraw/zinc/80/04/14/568800414.db2.gz PLWPXHDTBHJMDL-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286514 568800416 /nfs/dbraw/zinc/80/04/16/568800416.db2.gz PLWPXHDTBHJMDL-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286514 568800418 /nfs/dbraw/zinc/80/04/18/568800418.db2.gz PLWPXHDTBHJMDL-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286514 568800419 /nfs/dbraw/zinc/80/04/19/568800419.db2.gz PLWPXHDTBHJMDL-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](OC)C3)n2)cc1 ZINC000257289001 568801234 /nfs/dbraw/zinc/80/12/34/568801234.db2.gz PWOSLNNRMBGAGK-RXVVDRJESA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@@H](OC)C3)n2)cc1 ZINC000257289001 568801237 /nfs/dbraw/zinc/80/12/37/568801237.db2.gz PWOSLNNRMBGAGK-RXVVDRJESA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257296667 568803550 /nfs/dbraw/zinc/80/35/50/568803550.db2.gz RDVCOSBMTRGCFH-UNMCSNQZSA-N 1 2 418.921 3.500 40 0 HGABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257296667 568803552 /nfs/dbraw/zinc/80/35/52/568803552.db2.gz RDVCOSBMTRGCFH-UNMCSNQZSA-N 1 2 418.921 3.500 40 0 HGABLO COc1ccc(C2(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4OC)C3)CCOCC2)cc1 ZINC000257298010 568804064 /nfs/dbraw/zinc/80/40/64/568804064.db2.gz RJSVVXDDMVOKIC-JOCHJYFZSA-N 1 2 424.541 3.267 40 0 HGABLO COc1ccc(C2(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4OC)C3)CCOCC2)cc1 ZINC000257298010 568804065 /nfs/dbraw/zinc/80/40/65/568804065.db2.gz RJSVVXDDMVOKIC-JOCHJYFZSA-N 1 2 424.541 3.267 40 0 HGABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C ZINC000257312744 568807859 /nfs/dbraw/zinc/80/78/59/568807859.db2.gz UPIYREZAXTYAHY-INIZCTEOSA-N 1 2 415.501 3.157 40 0 HGABLO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000257312396 568807873 /nfs/dbraw/zinc/80/78/73/568807873.db2.gz UNTKKFACPXVDSK-DEXHYYOUSA-N 1 2 401.526 3.038 40 0 HGABLO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[N@H+](C)Cc1ccccc1F ZINC000257312396 568807874 /nfs/dbraw/zinc/80/78/74/568807874.db2.gz UNTKKFACPXVDSK-DEXHYYOUSA-N 1 2 401.526 3.038 40 0 HGABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)cc1 ZINC000257344931 568817575 /nfs/dbraw/zinc/81/75/75/568817575.db2.gz ZZHFKSKXDPCCDW-OAHLLOKOSA-N 1 2 408.506 3.215 40 0 HGABLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)cc1 ZINC000257344931 568817577 /nfs/dbraw/zinc/81/75/77/568817577.db2.gz ZZHFKSKXDPCCDW-OAHLLOKOSA-N 1 2 408.506 3.215 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC(F)(F)C[C@]2(CCCNC2=O)C1 ZINC000306127886 568890623 /nfs/dbraw/zinc/89/06/23/568890623.db2.gz GJVUAKKBNWMLCP-MRXNPFEDSA-N 1 2 408.367 3.331 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC(F)(F)C[C@]2(CCCNC2=O)C1 ZINC000306127886 568890624 /nfs/dbraw/zinc/89/06/24/568890624.db2.gz GJVUAKKBNWMLCP-MRXNPFEDSA-N 1 2 408.367 3.331 40 0 HGABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306128888 568891724 /nfs/dbraw/zinc/89/17/24/568891724.db2.gz HNTRAJRNQIBZBH-JOCHJYFZSA-N 1 2 402.477 3.419 40 0 HGABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306128888 568891725 /nfs/dbraw/zinc/89/17/25/568891725.db2.gz HNTRAJRNQIBZBH-JOCHJYFZSA-N 1 2 402.477 3.419 40 0 HGABLO COc1ncccc1C[N@@H+]1CCN(C)[C@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306129199 568891848 /nfs/dbraw/zinc/89/18/48/568891848.db2.gz HXHYXCIZJLGZMO-QFIPXVFZSA-N 1 2 414.513 3.289 40 0 HGABLO COc1ncccc1C[N@H+]1CCN(C)[C@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306129199 568891850 /nfs/dbraw/zinc/89/18/50/568891850.db2.gz HXHYXCIZJLGZMO-QFIPXVFZSA-N 1 2 414.513 3.289 40 0 HGABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 ZINC000306131480 568893744 /nfs/dbraw/zinc/89/37/44/568893744.db2.gz KFXLQGLNXNJBAW-UHFFFAOYSA-N 1 2 411.506 3.223 40 0 HGABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 ZINC000306131480 568893745 /nfs/dbraw/zinc/89/37/45/568893745.db2.gz KFXLQGLNXNJBAW-UHFFFAOYSA-N 1 2 411.506 3.223 40 0 HGABLO COc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306132292 568894602 /nfs/dbraw/zinc/89/46/02/568894602.db2.gz LEDRTGNMMDOVNX-QFIPXVFZSA-N 1 2 401.470 3.373 40 0 HGABLO COc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306132292 568894603 /nfs/dbraw/zinc/89/46/03/568894603.db2.gz LEDRTGNMMDOVNX-QFIPXVFZSA-N 1 2 401.470 3.373 40 0 HGABLO CCn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306140391 568902397 /nfs/dbraw/zinc/90/23/97/568902397.db2.gz USEGVXDPURBOES-IFMALSPDSA-N 1 2 411.502 3.464 40 0 HGABLO CCn1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306140391 568902398 /nfs/dbraw/zinc/90/23/98/568902398.db2.gz USEGVXDPURBOES-IFMALSPDSA-N 1 2 411.502 3.464 40 0 HGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccsc4)CC2)C[N@@H+](C)C3)cc1 ZINC000306142117 568903783 /nfs/dbraw/zinc/90/37/83/568903783.db2.gz WPXXYVPBZXTFKO-UHFFFAOYSA-N 1 2 423.542 3.092 40 0 HGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccsc4)CC2)C[N@H+](C)C3)cc1 ZINC000306142117 568903784 /nfs/dbraw/zinc/90/37/84/568903784.db2.gz WPXXYVPBZXTFKO-UHFFFAOYSA-N 1 2 423.542 3.092 40 0 HGABLO Cc1ncsc1C[N@@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306143408 568905001 /nfs/dbraw/zinc/90/50/01/568905001.db2.gz YBRFTXFXZHVXIY-QUCCMNQESA-N 1 2 405.589 3.386 40 0 HGABLO Cc1ncsc1C[N@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306143408 568905002 /nfs/dbraw/zinc/90/50/02/568905002.db2.gz YBRFTXFXZHVXIY-QUCCMNQESA-N 1 2 405.589 3.386 40 0 HGABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1C(F)(F)F ZINC000329061274 568975101 /nfs/dbraw/zinc/97/51/01/568975101.db2.gz WPZQHOPHXVNSSS-UHFFFAOYSA-N 1 2 404.392 3.163 40 0 HGABLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(=O)c4c(C)cc(C)cc4[nH]3)CC2)cc1 ZINC000015865384 569016608 /nfs/dbraw/zinc/01/66/08/569016608.db2.gz CSRYKNYWKWQRTM-UHFFFAOYSA-N 1 2 405.498 3.112 40 0 HGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230594 569313900 /nfs/dbraw/zinc/31/39/00/569313900.db2.gz VBMTZEQWPXOMBR-AYMMHLMVSA-N 1 2 412.511 3.300 40 0 HGABLO NC(=O)c1ccc(-c2nccnc2[C@@H]2C[N@H+](Cc3ccccc3Cl)CCO2)cc1 ZINC000019693204 569346360 /nfs/dbraw/zinc/34/63/60/569346360.db2.gz DQQICTNYALVOJW-IBGZPJMESA-N 1 2 408.889 3.469 40 0 HGABLO NC(=O)c1ccc(-c2nccnc2[C@@H]2C[N@@H+](Cc3ccccc3Cl)CCO2)cc1 ZINC000019693204 569346361 /nfs/dbraw/zinc/34/63/61/569346361.db2.gz DQQICTNYALVOJW-IBGZPJMESA-N 1 2 408.889 3.469 40 0 HGABLO O=C(C[N@H+]1CC[C@H](c2cc(COc3cccc(F)c3)n[nH]2)C1)NC1CCCCC1 ZINC000019738950 569348630 /nfs/dbraw/zinc/34/86/30/569348630.db2.gz WUFGHLVCPNVGDZ-INIZCTEOSA-N 1 2 400.498 3.366 40 0 HGABLO O=C(C[N@@H+]1CC[C@H](c2cc(COc3cccc(F)c3)n[nH]2)C1)NC1CCCCC1 ZINC000019738950 569348631 /nfs/dbraw/zinc/34/86/31/569348631.db2.gz WUFGHLVCPNVGDZ-INIZCTEOSA-N 1 2 400.498 3.366 40 0 HGABLO O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccccn1 ZINC000015676369 291243463 /nfs/dbraw/zinc/24/34/63/291243463.db2.gz WLBHNRDIYPUAKD-IBGZPJMESA-N 1 2 415.419 3.067 40 0 biogenic,in-vitro HGABLO C[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328984037 524800560 /nfs/dbraw/zinc/80/05/60/524800560.db2.gz HKACSDCYAGLMEJ-AWEZNQCLSA-N 1 2 413.319 3.155 40 0 HGABLO COc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCc1ccc(F)cc1 ZINC000408577422 557480553 /nfs/dbraw/zinc/48/05/53/557480553.db2.gz SMRSUMNCSGUUDE-UHFFFAOYSA-N 1 2 404.507 3.011 40 0 HGABLO COC(=O)c1c2c(sc1NS(=O)(=O)c1c(C)cc(C)cc1C)C[N@@H+](C)CC2 ZINC000408604593 557527255 /nfs/dbraw/zinc/52/72/55/557527255.db2.gz HFPCBFZAPPYZIP-UHFFFAOYSA-N 1 2 408.545 3.249 40 0 HGABLO COC(=O)c1c2c(sc1NS(=O)(=O)c1c(C)cc(C)cc1C)C[N@H+](C)CC2 ZINC000408604593 557527258 /nfs/dbraw/zinc/52/72/58/557527258.db2.gz HFPCBFZAPPYZIP-UHFFFAOYSA-N 1 2 408.545 3.249 40 0 HGABLO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 ZINC000006706769 557716579 /nfs/dbraw/zinc/71/65/79/557716579.db2.gz FYRGXPXJCZJLTG-UHFFFAOYSA-N 1 2 421.950 3.227 40 0 HGABLO COc1c(C)cccc1C[N@H+](C)Cc1cc(N(C)C)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019760337 558276278 /nfs/dbraw/zinc/27/62/78/558276278.db2.gz REBFBYQWKXKTBG-HXUWFJFHSA-N 1 2 411.550 3.175 40 0 HGABLO COc1c(C)cccc1C[N@@H+](C)Cc1cc(N(C)C)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019760337 558276281 /nfs/dbraw/zinc/27/62/81/558276281.db2.gz REBFBYQWKXKTBG-HXUWFJFHSA-N 1 2 411.550 3.175 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@H+](CC(=O)NC4CC4)C3)c(=O)c2c1C ZINC000012184136 558344041 /nfs/dbraw/zinc/34/40/41/558344041.db2.gz HBLSLWKAJIDTQP-INIZCTEOSA-N 1 2 402.564 3.114 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@@H+](CC(=O)NC4CC4)C3)c(=O)c2c1C ZINC000012184136 558344044 /nfs/dbraw/zinc/34/40/44/558344044.db2.gz HBLSLWKAJIDTQP-INIZCTEOSA-N 1 2 402.564 3.114 40 0 HGABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)C3)cc2n1 ZINC000012221286 558355892 /nfs/dbraw/zinc/35/58/92/558355892.db2.gz PQPLOBCSEIXAMN-KGLIPLIRSA-N 1 2 420.439 3.474 40 0 HGABLO c1csc([C@H]2NC3=[NH+]CN(Cc4ccccn4)CN3c3nc4ccccc4n32)c1 ZINC000020676362 558400061 /nfs/dbraw/zinc/40/00/61/558400061.db2.gz OWCQRKOWMZEKEM-IBGZPJMESA-N 1 2 401.499 3.236 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3cc(Cl)ccc3C)C1=O)CC2 ZINC000022609387 558501407 /nfs/dbraw/zinc/50/14/07/558501407.db2.gz HDEFXVKFDTZBNY-GOSISDBHSA-N 1 2 414.889 3.356 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3cc(Cl)ccc3C)C1=O)CC2 ZINC000022609387 558501410 /nfs/dbraw/zinc/50/14/10/558501410.db2.gz HDEFXVKFDTZBNY-GOSISDBHSA-N 1 2 414.889 3.356 40 0 HGABLO Cc1nc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](C)C2 ZINC000013636288 558554431 /nfs/dbraw/zinc/55/44/31/558554431.db2.gz BBVMVOPXMHUQJO-MRXNPFEDSA-N 1 2 406.530 3.443 40 0 HGABLO CCOc1ccccc1-n1c(SCC[NH+]2CCOCC2)nnc1-c1cccnc1 ZINC000035313004 558789722 /nfs/dbraw/zinc/78/97/22/558789722.db2.gz HGMPNFKYCNAZMD-UHFFFAOYSA-N 1 2 411.531 3.152 40 0 HGABLO COc1ccc([C@@H](CN(C)C(=O)Cc2cc(C)ccc2OC)[NH+]2CCOCC2)cc1 ZINC000036741367 558802325 /nfs/dbraw/zinc/80/23/25/558802325.db2.gz GHZZEBURUKESME-JOCHJYFZSA-N 1 2 412.530 3.087 40 0 HGABLO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccnn2[C@@H]2CCCCO2)o1 ZINC000019216444 558850425 /nfs/dbraw/zinc/85/04/25/558850425.db2.gz GIVGMLIVYGZOOQ-QFIPXVFZSA-N 1 2 402.539 3.208 40 0 HGABLO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccnn2[C@@H]2CCCCO2)o1 ZINC000019216444 558850428 /nfs/dbraw/zinc/85/04/28/558850428.db2.gz GIVGMLIVYGZOOQ-QFIPXVFZSA-N 1 2 402.539 3.208 40 0 HGABLO Cc1cccnc1-n1cccc1CN(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019237891 558856936 /nfs/dbraw/zinc/85/69/36/558856936.db2.gz KWVALBRVCBRGLE-UHFFFAOYSA-N 1 2 405.546 3.300 40 0 HGABLO COc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]c(C)n4ccsc34)C2)cc1F ZINC000019240790 558859142 /nfs/dbraw/zinc/85/91/42/558859142.db2.gz YKPIRORTCPLZRE-ZDUSSCGKSA-N 1 2 409.508 3.420 40 0 HGABLO OCC[NH2+][C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 ZINC000019341267 558871812 /nfs/dbraw/zinc/87/18/12/558871812.db2.gz YTTKYQLLBYMWCU-IBGZPJMESA-N 1 2 420.473 3.135 40 0 HGABLO CCc1[nH+]c2cc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)ccc2n1CC ZINC000019523207 558904425 /nfs/dbraw/zinc/90/44/25/558904425.db2.gz UFBUIQHBZUKTMV-RCDICMHDSA-N 1 2 411.506 3.058 40 0 HGABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019578121 558933796 /nfs/dbraw/zinc/93/37/96/558933796.db2.gz QDJRATZGEHZLBA-JOCHJYFZSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019578121 558933798 /nfs/dbraw/zinc/93/37/98/558933798.db2.gz QDJRATZGEHZLBA-JOCHJYFZSA-N 1 2 417.557 3.488 40 0 HGABLO COc1ccc(OC)c(C[N@@H+]2CCNC(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)c1 ZINC000072351870 558948106 /nfs/dbraw/zinc/94/81/06/558948106.db2.gz PYWBEKDRNYERND-HSZRJFAPSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(OC)c(C[N@H+]2CCNC(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)c1 ZINC000072351870 558948108 /nfs/dbraw/zinc/94/81/08/558948108.db2.gz PYWBEKDRNYERND-HSZRJFAPSA-N 1 2 417.509 3.309 40 0 HGABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353308 558950192 /nfs/dbraw/zinc/95/01/92/558950192.db2.gz MBKKJYKFKXEEIO-KRWDZBQOSA-N 1 2 403.552 3.295 40 0 HGABLO Cc1cc(Nc2cc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)nc(C)n2)n[nH]1 ZINC000072361478 558955940 /nfs/dbraw/zinc/95/59/40/558955940.db2.gz IRKAKGOJVBIROL-GOSISDBHSA-N 1 2 409.469 3.475 40 0 HGABLO Cc1cc(Nc2cc([C@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)nc(C)n2)n[nH]1 ZINC000072361478 558955942 /nfs/dbraw/zinc/95/59/42/558955942.db2.gz IRKAKGOJVBIROL-GOSISDBHSA-N 1 2 409.469 3.475 40 0 HGABLO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cncc(Nc3cnccn3)n1)OCCO2 ZINC000072376432 558965904 /nfs/dbraw/zinc/96/59/04/558965904.db2.gz SNJCPVKJGPEDDN-QGZVFWFLSA-N 1 2 420.473 3.127 40 0 HGABLO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cncc(Nc3cnccn3)n1)OCCO2 ZINC000072376432 558965906 /nfs/dbraw/zinc/96/59/06/558965906.db2.gz SNJCPVKJGPEDDN-QGZVFWFLSA-N 1 2 420.473 3.127 40 0 HGABLO O=C(C[N@H+]1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)N1CCCC1 ZINC000072378316 558967518 /nfs/dbraw/zinc/96/75/18/558967518.db2.gz OWMBBQYIWAGRQI-HXUWFJFHSA-N 1 2 402.926 3.444 40 0 HGABLO O=C(C[N@@H+]1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)N1CCCC1 ZINC000072378316 558967522 /nfs/dbraw/zinc/96/75/22/558967522.db2.gz OWMBBQYIWAGRQI-HXUWFJFHSA-N 1 2 402.926 3.444 40 0 HGABLO CCOc1ccc2cc(C[NH2+]c3ccc(N4CCN(C(C)=O)CC4)cc3)c(=O)[nH]c2c1 ZINC000072396122 558975061 /nfs/dbraw/zinc/97/50/61/558975061.db2.gz LGMMPBLPLBAKSX-UHFFFAOYSA-N 1 2 420.513 3.207 40 0 HGABLO COc1ccc(C)cc1N1C[C@@H](C(=O)NCCc2[nH]c3cc(C)c(C)cc3[nH+]2)CC1=O ZINC000019715169 558975654 /nfs/dbraw/zinc/97/56/54/558975654.db2.gz HSRSIMLVAINRRI-KRWDZBQOSA-N 1 2 420.513 3.209 40 0 HGABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)c1ccc(N(C)C)cc1)CC2 ZINC000585111562 559030594 /nfs/dbraw/zinc/03/05/94/559030594.db2.gz WGRVNEUZCXIXTM-UHFFFAOYSA-N 1 2 404.514 3.461 40 0 HGABLO CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000017093672 559122760 /nfs/dbraw/zinc/12/27/60/559122760.db2.gz RENYAUMMHRJMJT-UHFFFAOYSA-N 1 2 423.565 3.023 40 0 HGABLO Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)n1 ZINC000585290776 559123400 /nfs/dbraw/zinc/12/34/00/559123400.db2.gz FIERXLRSXJDQAG-LXXRFIIISA-N 1 2 418.505 3.078 40 0 HGABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222608 559169792 /nfs/dbraw/zinc/16/97/92/559169792.db2.gz PXSBCETZZIRMGS-UHFFFAOYSA-N 1 2 406.527 3.472 40 0 HGABLO Cn1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cn1 ZINC000514289291 560032743 /nfs/dbraw/zinc/03/27/43/560032743.db2.gz HOBGXLKHPMQHCO-WPFOTENUSA-N 1 2 422.504 3.056 40 0 biogenic,in-vitro HGABLO Cn1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cn1 ZINC000514289291 560032744 /nfs/dbraw/zinc/03/27/44/560032744.db2.gz HOBGXLKHPMQHCO-WPFOTENUSA-N 1 2 422.504 3.056 40 0 biogenic,in-vitro HGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000892809 560542992 /nfs/dbraw/zinc/54/29/92/560542992.db2.gz GCEKWTCOCJINQG-OAQYLSRUSA-N 1 2 422.533 3.460 40 0 HGABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c2cc1C ZINC000000893870 560543512 /nfs/dbraw/zinc/54/35/12/560543512.db2.gz IZXNPINOKYYHPD-JOCHJYFZSA-N 1 2 414.513 3.365 40 0 HGABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000000909448 560545993 /nfs/dbraw/zinc/54/59/93/560545993.db2.gz CROFLWJNJBTWEG-NRFANRHFSA-N 1 2 418.476 3.196 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019501983 560873845 /nfs/dbraw/zinc/87/38/45/560873845.db2.gz BUKVTGGQIXTIFJ-SMTRIPRVSA-N 1 2 420.509 3.465 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019501981 560873860 /nfs/dbraw/zinc/87/38/60/560873860.db2.gz BUKVTGGQIXTIFJ-PDFGSZSQSA-N 1 2 420.509 3.465 40 0 HGABLO CCOc1cc(C[NH+]2CCN(Cc3cccc(OC)c3OC)CC2)ccc1OC ZINC000019972665 560877656 /nfs/dbraw/zinc/87/76/56/560877656.db2.gz QRJBETQPSFLAPN-UHFFFAOYSA-N 1 2 400.519 3.429 40 0 HGABLO CCOc1cc(CN2CC[NH+](Cc3cccc(OC)c3OC)CC2)ccc1OC ZINC000019972665 560877657 /nfs/dbraw/zinc/87/76/57/560877657.db2.gz QRJBETQPSFLAPN-UHFFFAOYSA-N 1 2 400.519 3.429 40 0 HGABLO CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670355 568494509 /nfs/dbraw/zinc/49/45/09/568494509.db2.gz PKSCXRDJJQPXCK-RBUKOAKNSA-N 1 2 404.946 3.025 40 0 HGABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223625283 568553759 /nfs/dbraw/zinc/55/37/59/568553759.db2.gz WUKFGCFRORPLFZ-YADHBBJMSA-N 1 2 421.570 3.293 40 0 HGABLO COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026817388 568557895 /nfs/dbraw/zinc/55/78/95/568557895.db2.gz BXXHLOUIOGUWCB-WJFTUGDTSA-N 1 2 408.841 3.028 40 0 HGABLO COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026817388 568557896 /nfs/dbraw/zinc/55/78/96/568557896.db2.gz BXXHLOUIOGUWCB-WJFTUGDTSA-N 1 2 408.841 3.028 40 0 HGABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)c1 ZINC000095533565 568635345 /nfs/dbraw/zinc/63/53/45/568635345.db2.gz YSXVPIGZTJPRIB-CQSZACIVSA-N 1 2 406.227 3.133 40 0 HGABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 ZINC000257236958 568786776 /nfs/dbraw/zinc/78/67/76/568786776.db2.gz HEPMGCWHRTVSPT-DYESRHJHSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 ZINC000257236958 568786777 /nfs/dbraw/zinc/78/67/77/568786777.db2.gz HEPMGCWHRTVSPT-DYESRHJHSA-N 1 2 419.522 3.466 40 0 HGABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cnn1C ZINC000257240322 568787636 /nfs/dbraw/zinc/78/76/36/568787636.db2.gz HSZRICQTLWGDFK-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1c(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cnn1C ZINC000257240322 568787637 /nfs/dbraw/zinc/78/76/37/568787637.db2.gz HSZRICQTLWGDFK-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1CO ZINC000257262361 568793457 /nfs/dbraw/zinc/79/34/57/568793457.db2.gz LLCGFFKTTFNKPY-OAQYLSRUSA-N 1 2 421.501 3.080 40 0 HGABLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1CO ZINC000257262361 568793459 /nfs/dbraw/zinc/79/34/59/568793459.db2.gz LLCGFFKTTFNKPY-OAQYLSRUSA-N 1 2 421.501 3.080 40 0 HGABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4ccccn4)CCO3)c2)s1 ZINC000257277104 568797626 /nfs/dbraw/zinc/79/76/26/568797626.db2.gz NWKDCRYXDUACEN-QGZVFWFLSA-N 1 2 410.503 3.156 40 0 HGABLO Cc1cccc([C@@]2(C(N)=O)CCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257280562 568798740 /nfs/dbraw/zinc/79/87/40/568798740.db2.gz OLJPRYQERCICNS-XMMPIXPASA-N 1 2 402.498 3.341 40 0 HGABLO Cc1cccc([C@@]2(C(N)=O)CCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257280562 568798743 /nfs/dbraw/zinc/79/87/43/568798743.db2.gz OLJPRYQERCICNS-XMMPIXPASA-N 1 2 402.498 3.341 40 0 HGABLO Cc1ccc2[nH]c(COCC(=O)N3CCC[C@@H]3c3cccc(-n4cc[nH+]c4)n3)nc2c1 ZINC000257312725 568807989 /nfs/dbraw/zinc/80/79/89/568807989.db2.gz UPHAGWMXPZDLGJ-HXUWFJFHSA-N 1 2 416.485 3.332 40 0 HGABLO Cc1ccc2nc(COCC(=O)N3CCC[C@@H]3c3cccc(-n4cc[nH+]c4)n3)[nH]c2c1 ZINC000257312725 568807992 /nfs/dbraw/zinc/80/79/92/568807992.db2.gz UPHAGWMXPZDLGJ-HXUWFJFHSA-N 1 2 416.485 3.332 40 0 HGABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1cccc(F)c1 ZINC000257319702 568810224 /nfs/dbraw/zinc/81/02/24/568810224.db2.gz VTRDYZZIHKZCPW-RXVVDRJESA-N 1 2 424.419 3.270 40 0 HGABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1cccc(F)c1 ZINC000257319702 568810225 /nfs/dbraw/zinc/81/02/25/568810225.db2.gz VTRDYZZIHKZCPW-RXVVDRJESA-N 1 2 424.419 3.270 40 0 HGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@](C)(O)C1 ZINC000257339846 568816052 /nfs/dbraw/zinc/81/60/52/568816052.db2.gz ZDMGNFJILLUYIO-UGKGYDQZSA-N 1 2 413.905 3.270 40 0 HGABLO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@H]3Oc2ccc(C)cc2)cc1 ZINC000306123821 568886887 /nfs/dbraw/zinc/88/68/87/568886887.db2.gz AXWJJMJYGUARFQ-VSKRKVRLSA-N 1 2 401.528 3.070 40 0 HGABLO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@H]3Oc2ccc(C)cc2)cc1 ZINC000306123821 568886888 /nfs/dbraw/zinc/88/68/88/568886888.db2.gz AXWJJMJYGUARFQ-VSKRKVRLSA-N 1 2 401.528 3.070 40 0 HGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4ccoc4)CCN3C)nnn2c1 ZINC000306124728 568887645 /nfs/dbraw/zinc/88/76/45/568887645.db2.gz BXWDRXTYFIQBIX-NRFANRHFSA-N 1 2 403.486 3.487 40 0 HGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4ccoc4)CCN3C)nnn2c1 ZINC000306124728 568887646 /nfs/dbraw/zinc/88/76/46/568887646.db2.gz BXWDRXTYFIQBIX-NRFANRHFSA-N 1 2 403.486 3.487 40 0 HGABLO CN1CC[N@H+](Cc2ccncc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306128060 568891039 /nfs/dbraw/zinc/89/10/39/568891039.db2.gz GPBFYDZUJWSXQI-QFIPXVFZSA-N 1 2 402.477 3.419 40 0 HGABLO CN1CC[N@@H+](Cc2ccncc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306128060 568891041 /nfs/dbraw/zinc/89/10/41/568891041.db2.gz GPBFYDZUJWSXQI-QFIPXVFZSA-N 1 2 402.477 3.419 40 0 HGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccccc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306132691 568894803 /nfs/dbraw/zinc/89/48/03/568894803.db2.gz LPHXGAULCPHTHW-YKSBVNFPSA-N 1 2 406.530 3.332 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(C[N@H+](Cc4cc(C)n[nH]4)CC(F)(F)C3)C2=O)c1 ZINC000306140006 568901946 /nfs/dbraw/zinc/90/19/46/568901946.db2.gz UGRFAZIKYVYWJC-OAQYLSRUSA-N 1 2 418.488 3.377 40 0 HGABLO COc1cccc(CN2CCC[C@@]3(C[N@@H+](Cc4cc(C)n[nH]4)CC(F)(F)C3)C2=O)c1 ZINC000306140006 568901948 /nfs/dbraw/zinc/90/19/48/568901948.db2.gz UGRFAZIKYVYWJC-OAQYLSRUSA-N 1 2 418.488 3.377 40 0 HGABLO c1cc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)ccn1 ZINC000306140992 568902673 /nfs/dbraw/zinc/90/26/73/568902673.db2.gz VIJJPBNWFYVOKY-QFIPXVFZSA-N 1 2 415.453 3.094 40 0 HGABLO c1cc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)ccn1 ZINC000306140992 568902675 /nfs/dbraw/zinc/90/26/75/568902675.db2.gz VIJJPBNWFYVOKY-QFIPXVFZSA-N 1 2 415.453 3.094 40 0 HGABLO c1cc(-c2ccc3c([C@H]4C[N@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)ccn1 ZINC000306140991 568902709 /nfs/dbraw/zinc/90/27/09/568902709.db2.gz VIJJPBNWFYVOKY-JOCHJYFZSA-N 1 2 415.453 3.094 40 0 HGABLO c1cc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)ccn1 ZINC000306140991 568902712 /nfs/dbraw/zinc/90/27/12/568902712.db2.gz VIJJPBNWFYVOKY-JOCHJYFZSA-N 1 2 415.453 3.094 40 0 HGABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccc(O)c(F)c1)CCO2 ZINC000306142696 568904524 /nfs/dbraw/zinc/90/45/24/568904524.db2.gz XGPAYDPXDQCLND-NQIIRXRSSA-N 1 2 419.522 3.240 40 0 HGABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccc(O)c(F)c1)CCO2 ZINC000306142696 568904525 /nfs/dbraw/zinc/90/45/25/568904525.db2.gz XGPAYDPXDQCLND-NQIIRXRSSA-N 1 2 419.522 3.240 40 0 HGABLO O=S(=O)(c1cccc(F)c1)N1CCC[C@]2(C[N@H+](Cc3cccs3)CCO2)CC1 ZINC000306144502 568905912 /nfs/dbraw/zinc/90/59/12/568905912.db2.gz ZGSNTGNSUKFYQE-HXUWFJFHSA-N 1 2 424.563 3.333 40 0 HGABLO O=S(=O)(c1cccc(F)c1)N1CCC[C@]2(C[N@@H+](Cc3cccs3)CCO2)CC1 ZINC000306144502 568905914 /nfs/dbraw/zinc/90/59/14/568905914.db2.gz ZGSNTGNSUKFYQE-HXUWFJFHSA-N 1 2 424.563 3.333 40 0 HGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(OC)cc3)c2CN1Cc1ccc(OC)cc1 ZINC000015707060 291236322 /nfs/dbraw/zinc/23/63/22/291236322.db2.gz AUQJEBNBAAWNHC-QFIPXVFZSA-N 1 2 421.497 3.049 40 0 biogenic,in-vitro HGABLO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNCc3ccccn3)n(C)n2)cc1 ZINC000035415785 291239160 /nfs/dbraw/zinc/23/91/60/291239160.db2.gz WCHARQISNPPODC-WPYKKVEZSA-N 1 2 417.557 3.458 40 0 biogenic,in-vitro HGABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cn1 ZINC000096111839 291240191 /nfs/dbraw/zinc/24/01/91/291240191.db2.gz VYUIHMWFCAXVJR-FPOVZHCZSA-N 1 2 416.481 3.054 40 0 biogenic,in-vitro HGABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cn1 ZINC000096111839 291240192 /nfs/dbraw/zinc/24/01/92/291240192.db2.gz VYUIHMWFCAXVJR-FPOVZHCZSA-N 1 2 416.481 3.054 40 0 biogenic,in-vitro HGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](Cc2ccncc2)C1 ZINC000015674265 291245955 /nfs/dbraw/zinc/24/59/55/291245955.db2.gz HVQSKBQAVMAILQ-ZBFHGGJFSA-N 1 2 406.364 3.338 40 0 biogenic,in-vitro HGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](Cc2ccncc2)C1 ZINC000015674265 291245957 /nfs/dbraw/zinc/24/59/57/291245957.db2.gz HVQSKBQAVMAILQ-ZBFHGGJFSA-N 1 2 406.364 3.338 40 0 biogenic,in-vitro HGABLO CCCCc1nc(Cl)c(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)[nH]1 ZINC000012087382 132353671 /nfs/dbraw/zinc/35/36/71/132353671.db2.gz BZHCHWFKWWICJW-UHFFFAOYSA-N 1 2 418.973 3.284 40 0 HGABLO CCCCc1nc(Cl)c(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)[nH]1 ZINC000012087382 132353672 /nfs/dbraw/zinc/35/36/72/132353672.db2.gz BZHCHWFKWWICJW-UHFFFAOYSA-N 1 2 418.973 3.284 40 0 HGABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2nc(C)cs2)cc1 ZINC000001346653 557256804 /nfs/dbraw/zinc/25/68/04/557256804.db2.gz KJUWNFQUPUMTCB-UHFFFAOYSA-N 1 2 412.500 3.320 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408564237 557471117 /nfs/dbraw/zinc/47/11/17/557471117.db2.gz UDCIUNQZZNGMIV-HSZRJFAPSA-N 1 2 420.538 3.477 40 0 HGABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000035848487 557644439 /nfs/dbraw/zinc/64/44/39/557644439.db2.gz USJLSKUJLJCMPX-WTGUMLROSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000035848487 557644441 /nfs/dbraw/zinc/64/44/41/557644441.db2.gz USJLSKUJLJCMPX-WTGUMLROSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(CNC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)c(OC)c1 ZINC000012116449 558328529 /nfs/dbraw/zinc/32/85/29/558328529.db2.gz GOUIQMPVQDAYCS-KRWDZBQOSA-N 1 2 408.502 3.123 40 0 HGABLO Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000022438136 558489683 /nfs/dbraw/zinc/48/96/83/558489683.db2.gz DOIZXSINJRXBFW-UHFFFAOYSA-N 1 2 413.543 3.028 40 0 HGABLO Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000022438141 558489727 /nfs/dbraw/zinc/48/97/27/558489727.db2.gz GWHSOYDJSZDYHJ-UHFFFAOYSA-N 1 2 413.543 3.028 40 0 HGABLO Cc1cc2[nH+]cn(CCC(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)c2cc1C ZINC000036752353 558802788 /nfs/dbraw/zinc/80/27/88/558802788.db2.gz IHJLFHQFIGVMBG-UHFFFAOYSA-N 1 2 412.515 3.004 40 0 HGABLO COc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCC(C(N)=O)CC2)c(OC)c1 ZINC000082055961 558827540 /nfs/dbraw/zinc/82/75/40/558827540.db2.gz QQZZDZQSIIKNBJ-IBGZPJMESA-N 1 2 414.510 3.142 40 0 HGABLO C[C@@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)n1cc[nH+]c1 ZINC000019080271 558839118 /nfs/dbraw/zinc/83/91/18/558839118.db2.gz ZBSVWNBAWUOJBA-INIZCTEOSA-N 1 2 404.449 3.325 40 0 HGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 ZINC000019081060 558839229 /nfs/dbraw/zinc/83/92/29/558839229.db2.gz BKXHXTIWEHNAFO-KRWDZBQOSA-N 1 2 424.545 3.111 40 0 HGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 ZINC000019081060 558839232 /nfs/dbraw/zinc/83/92/32/558839232.db2.gz BKXHXTIWEHNAFO-KRWDZBQOSA-N 1 2 424.545 3.111 40 0 HGABLO Cc1cc(N2CCN(C(=O)c3cccc(Cn4cncn4)c3)CC2)[nH+]c2ccccc12 ZINC000019118981 558842584 /nfs/dbraw/zinc/84/25/84/558842584.db2.gz GKIMDFMIWKOICA-UHFFFAOYSA-N 1 2 412.497 3.145 40 0 HGABLO O=c1[nH]c2ccccc2cc1C[NH2+]c1ccc(N2CCN(c3ncccn3)CC2)cc1 ZINC000019376187 558882248 /nfs/dbraw/zinc/88/22/48/558882248.db2.gz BYKIRQJSOHCCPM-UHFFFAOYSA-N 1 2 412.497 3.257 40 0 HGABLO CC(C)[N@@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCCC5)C4)[nH]n3c(=O)c2C1 ZINC000019448073 558886788 /nfs/dbraw/zinc/88/67/88/558886788.db2.gz PNBRZUJYFZQURQ-QGZVFWFLSA-N 1 2 411.550 3.098 40 0 HGABLO CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCCC5)C4)[nH]n3c(=O)c2C1 ZINC000019448073 558886790 /nfs/dbraw/zinc/88/67/90/558886790.db2.gz PNBRZUJYFZQURQ-QGZVFWFLSA-N 1 2 411.550 3.098 40 0 HGABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C3CCCCC3)cc12 ZINC000057640324 558889465 /nfs/dbraw/zinc/88/94/65/558889465.db2.gz XNDOPJPEROMNCZ-UHFFFAOYSA-N 1 2 424.549 3.021 40 0 HGABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C3CCCCC3)cc12 ZINC000057640324 558889469 /nfs/dbraw/zinc/88/94/69/558889469.db2.gz XNDOPJPEROMNCZ-UHFFFAOYSA-N 1 2 424.549 3.021 40 0 HGABLO [NH3+]c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(-n2cnnc2)c1 ZINC000070461841 558892209 /nfs/dbraw/zinc/89/22/09/558892209.db2.gz BCYHMUUGFVOVRO-UHFFFAOYSA-N 1 2 417.300 3.119 40 0 HGABLO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C ZINC000019520983 558902201 /nfs/dbraw/zinc/90/22/01/558902201.db2.gz MCUQAGGBKHYLRU-UHFFFAOYSA-N 1 2 424.524 3.215 40 0 HGABLO CCn1nc(C(C)C)cc1C(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019524124 558905528 /nfs/dbraw/zinc/90/55/28/558905528.db2.gz IHILUSQPNHQBJV-JOCHJYFZSA-N 1 2 420.561 3.307 40 0 HGABLO COc1cc(Cl)cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1OC ZINC000019549469 558914160 /nfs/dbraw/zinc/91/41/60/558914160.db2.gz FXPWSYHWFNZRNW-UHFFFAOYSA-N 1 2 412.877 3.061 40 0 HGABLO COc1cc(Cl)cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1OC ZINC000019549469 558914161 /nfs/dbraw/zinc/91/41/61/558914161.db2.gz FXPWSYHWFNZRNW-UHFFFAOYSA-N 1 2 412.877 3.061 40 0 HGABLO C[C@@H]1C[N@H+](Cc2ccco2)[C@H](C)CN1C(=O)c1cc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000072324224 558933135 /nfs/dbraw/zinc/93/31/35/558933135.db2.gz HGVTYXITUVKYSS-HZPDHXFCSA-N 1 2 422.485 3.176 40 0 HGABLO C[C@@H]1C[N@@H+](Cc2ccco2)[C@H](C)CN1C(=O)c1cc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000072324224 558933138 /nfs/dbraw/zinc/93/31/38/558933138.db2.gz HGVTYXITUVKYSS-HZPDHXFCSA-N 1 2 422.485 3.176 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@@H+](CC(=O)NC(C)C)C3)c(=O)c2c1C ZINC000072347711 558944755 /nfs/dbraw/zinc/94/47/55/558944755.db2.gz MBTPQZQMPWDIOY-INIZCTEOSA-N 1 2 404.580 3.360 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@H+](CC(=O)NC(C)C)C3)c(=O)c2c1C ZINC000072347711 558944756 /nfs/dbraw/zinc/94/47/56/558944756.db2.gz MBTPQZQMPWDIOY-INIZCTEOSA-N 1 2 404.580 3.360 40 0 HGABLO CCCN1CC[N@H+](Cc2cnn(C)c2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351751 558948070 /nfs/dbraw/zinc/94/80/70/558948070.db2.gz AMNHKUYYIIWYSN-HSZRJFAPSA-N 1 2 403.530 3.148 40 0 HGABLO CCCN1CC[N@@H+](Cc2cnn(C)c2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351751 558948073 /nfs/dbraw/zinc/94/80/73/558948073.db2.gz AMNHKUYYIIWYSN-HSZRJFAPSA-N 1 2 403.530 3.148 40 0 HGABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Cc2c(C)[nH]c3c2c(C)ccc3C)CC1 ZINC000019660793 558951949 /nfs/dbraw/zinc/95/19/49/558951949.db2.gz PFOLIPSVOBXEIS-UHFFFAOYSA-N 1 2 407.562 3.330 40 0 HGABLO Nc1ccc(-c2ccc(C3CCN(C(=O)COC[C@H]4CCCCO4)CC3)nc2)c[nH+]1 ZINC000019687996 558957584 /nfs/dbraw/zinc/95/75/84/558957584.db2.gz OCAULVVCRJVCFQ-HXUWFJFHSA-N 1 2 410.518 3.018 40 0 HGABLO Cc1nc2c(c(Nc3cnccn3)n1)CC[N@@H+](CC(=O)N(C(C)C)C1CCCCC1)C2 ZINC000072380784 558968969 /nfs/dbraw/zinc/96/89/69/558968969.db2.gz IKRXPMAJBHWPIB-UHFFFAOYSA-N 1 2 423.565 3.246 40 0 HGABLO Cc1nc2c(c(Nc3cnccn3)n1)CC[N@H+](CC(=O)N(C(C)C)C1CCCCC1)C2 ZINC000072380784 558968972 /nfs/dbraw/zinc/96/89/72/558968972.db2.gz IKRXPMAJBHWPIB-UHFFFAOYSA-N 1 2 423.565 3.246 40 0 HGABLO CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)C1=O ZINC000019715276 558975866 /nfs/dbraw/zinc/97/58/66/558975866.db2.gz RXPPYSWVAYCBGU-UHFFFAOYSA-N 1 2 419.485 3.359 40 0 HGABLO Cc1ccc(CC(=O)N2C[C@]3(C[C@@H]2c2cn(C)c[nH+]2)CCCN(CC2CC2)C3=O)cc1 ZINC000585106491 559028750 /nfs/dbraw/zinc/02/87/50/559028750.db2.gz VZEWFIMWZYXMHE-RCZVLFRGSA-N 1 2 420.557 3.263 40 0 HGABLO Cn1c[nH+]c([C@H]2C[C@]3(CN2C(=O)c2cccc(F)c2)CCCN(CC2CC2)C3=O)c1 ZINC000585106424 559028831 /nfs/dbraw/zinc/02/88/31/559028831.db2.gz FPPYNMLGBJTDKF-OFNKIYASSA-N 1 2 410.493 3.165 40 0 HGABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)COCc2ccccc2)CC3)cc1 ZINC000585111549 559030605 /nfs/dbraw/zinc/03/06/05/559030605.db2.gz VLYYKVNHFUEDTO-UHFFFAOYSA-N 1 2 418.497 3.110 40 0 HGABLO Cc1ccccc1NC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251260 559105274 /nfs/dbraw/zinc/10/52/74/559105274.db2.gz BMPKDKLATUBDOS-CYFREDJKSA-N 1 2 421.545 3.229 40 0 HGABLO C[NH+]1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn43)n2)CC1 ZINC000096267024 559107885 /nfs/dbraw/zinc/10/78/85/559107885.db2.gz ANFHGQBLZPDLJU-UHFFFAOYSA-N 1 2 403.461 3.319 40 0 HGABLO Cc1cc(C)nc(Nc2cc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)n1 ZINC000585290755 559123425 /nfs/dbraw/zinc/12/34/25/559123425.db2.gz DRVRURPRMYPCBG-IHHMQQGQSA-N 1 2 418.505 3.426 40 0 HGABLO O=C1C[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000102407386 559150266 /nfs/dbraw/zinc/15/02/66/559150266.db2.gz TWNKKYYYHGMDOB-SFHVURJKSA-N 1 2 402.853 3.095 40 0 HGABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000782698 559279250 /nfs/dbraw/zinc/27/92/50/559279250.db2.gz ZORMNJNUCSNEBZ-HXUWFJFHSA-N 1 2 424.549 3.490 40 0 HGABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000890225 560542350 /nfs/dbraw/zinc/54/23/50/560542350.db2.gz XREVWSXGPTXSQL-HXUWFJFHSA-N 1 2 408.506 3.214 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(C)=O ZINC000095482913 560558252 /nfs/dbraw/zinc/55/82/52/560558252.db2.gz ULBVRRNILONBHC-UWHLTILDSA-N 1 2 422.868 3.453 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(C)=O ZINC000095482913 560558253 /nfs/dbraw/zinc/55/82/53/560558253.db2.gz ULBVRRNILONBHC-UWHLTILDSA-N 1 2 422.868 3.453 40 0 HGABLO OC1(c2cccc(F)c2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1CCc1ccccc1 ZINC000004967740 560622171 /nfs/dbraw/zinc/62/21/71/560622171.db2.gz UNFBKVWUKAUHCT-TYABSZSSSA-N 1 2 407.493 3.070 40 0 HGABLO OC1(c2cccc(F)c2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1CCc1ccccc1 ZINC000004967740 560622174 /nfs/dbraw/zinc/62/21/74/560622174.db2.gz UNFBKVWUKAUHCT-TYABSZSSSA-N 1 2 407.493 3.070 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000100619421 560725710 /nfs/dbraw/zinc/72/57/10/560725710.db2.gz KEOOPWCVXLHHMW-IUODEOHRSA-N 1 2 408.384 3.153 40 0 HGABLO Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CC[NH+](C)CC3)n2)cc1 ZINC000006032605 560739374 /nfs/dbraw/zinc/73/93/74/560739374.db2.gz WMBQMJGCFAQLNS-UHFFFAOYSA-N 1 2 410.465 3.337 40 0 HGABLO Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)c1 ZINC000219248762 568488426 /nfs/dbraw/zinc/48/84/26/568488426.db2.gz XKUZITZIZIKYCF-UHFFFAOYSA-N 1 2 406.486 3.149 40 0 HGABLO COc1ccc(-c2ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)n2)cc1 ZINC000223144498 568539366 /nfs/dbraw/zinc/53/93/66/568539366.db2.gz DECJLHHFKXUYOR-UHFFFAOYSA-N 1 2 402.498 3.419 40 0 HGABLO Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223168035 568539918 /nfs/dbraw/zinc/53/99/18/568539918.db2.gz ZJWCHUVMAFWNGV-ROUUACIJSA-N 1 2 402.589 3.146 40 0 HGABLO COc1ccc(-c2nnsc2C(=O)OCCNc2cc(C)[nH+]c(SC)n2)cc1 ZINC000223839620 568560473 /nfs/dbraw/zinc/56/04/73/568560473.db2.gz CQRXZMVDCIQBQM-UHFFFAOYSA-N 1 2 417.516 3.303 40 0 HGABLO Cn1c2ccc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)cc2sc1=O ZINC000224980986 568607262 /nfs/dbraw/zinc/60/72/62/568607262.db2.gz QWFQVXUSJGIZNJ-UHFFFAOYSA-N 1 2 403.529 3.391 40 0 HGABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000225359200 568631335 /nfs/dbraw/zinc/63/13/35/568631335.db2.gz NBHLYVFZWPDAMO-UHFFFAOYSA-N 1 2 402.878 3.425 40 0 HGABLO CCOc1cc([C@@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)ccc1OC ZINC000095534423 568635813 /nfs/dbraw/zinc/63/58/13/568635813.db2.gz LEAMCMLSQLKFQQ-MRXNPFEDSA-N 1 2 419.279 3.395 40 0 HGABLO Cc1cc(C)c2c(=O)ccn(CC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c2c1 ZINC000225758110 568671784 /nfs/dbraw/zinc/67/17/84/568671784.db2.gz VMQXYGUHPYHFFY-RMKNXTFCSA-N 1 2 415.537 3.476 40 0 HGABLO COC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778061 568673901 /nfs/dbraw/zinc/67/39/01/568673901.db2.gz CVHQBLUHTOMBRS-UHFFFAOYSA-N 1 2 413.543 3.100 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@]12CCCO2 ZINC000257202174 568776801 /nfs/dbraw/zinc/77/68/01/568776801.db2.gz AKTIOZUGYUPCOF-WIYYLYMNSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@]12CCCO2 ZINC000257202174 568776804 /nfs/dbraw/zinc/77/68/04/568776804.db2.gz AKTIOZUGYUPCOF-WIYYLYMNSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@]12CCCO2 ZINC000257216806 568780989 /nfs/dbraw/zinc/78/09/89/568780989.db2.gz CWDJOLMWVBHZKM-RXVVDRJESA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@]12CCCO2 ZINC000257216806 568780990 /nfs/dbraw/zinc/78/09/90/568780990.db2.gz CWDJOLMWVBHZKM-RXVVDRJESA-N 1 2 419.522 3.081 40 0 HGABLO CCCN1CC[N@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257242874 568788335 /nfs/dbraw/zinc/78/83/35/568788335.db2.gz IEOOAWPIOKCIOP-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257242874 568788337 /nfs/dbraw/zinc/78/83/37/568788337.db2.gz IEOOAWPIOKCIOP-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257242874 568788339 /nfs/dbraw/zinc/78/83/39/568788339.db2.gz IEOOAWPIOKCIOP-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257242874 568788341 /nfs/dbraw/zinc/78/83/41/568788341.db2.gz IEOOAWPIOKCIOP-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1Oc1cccc(F)c1 ZINC000257296334 568803432 /nfs/dbraw/zinc/80/34/32/568803432.db2.gz RCIGSHGWBFXGQF-RXVVDRJESA-N 1 2 424.419 3.270 40 0 HGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1Oc1cccc(F)c1 ZINC000257296334 568803433 /nfs/dbraw/zinc/80/34/33/568803433.db2.gz RCIGSHGWBFXGQF-RXVVDRJESA-N 1 2 424.419 3.270 40 0 HGABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cncc(Nc4ncccn4)n3)C1)CCC2 ZINC000257343897 568817281 /nfs/dbraw/zinc/81/72/81/568817281.db2.gz ZUULMRJQUVRHAF-OAQYLSRUSA-N 1 2 418.501 3.081 40 0 HGABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cncc(Nc4ncccn4)n3)C1)CCC2 ZINC000257343897 568817282 /nfs/dbraw/zinc/81/72/82/568817282.db2.gz ZUULMRJQUVRHAF-OAQYLSRUSA-N 1 2 418.501 3.081 40 0 HGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(OC)c(C)c1 ZINC000261365312 568819813 /nfs/dbraw/zinc/81/98/13/568819813.db2.gz RHWRWGSCZDZFJQ-NRFANRHFSA-O 1 2 423.518 3.479 40 0 HGABLO COc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306139402 568901425 /nfs/dbraw/zinc/90/14/25/568901425.db2.gz SWNFSIKUCZLGQX-QFIPXVFZSA-N 1 2 401.470 3.373 40 0 HGABLO COc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306139402 568901427 /nfs/dbraw/zinc/90/14/27/568901427.db2.gz SWNFSIKUCZLGQX-QFIPXVFZSA-N 1 2 401.470 3.373 40 0 HGABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccc(O)c(F)c1)CCO2 ZINC000306142697 568904547 /nfs/dbraw/zinc/90/45/47/568904547.db2.gz XGPAYDPXDQCLND-RXVVDRJESA-N 1 2 419.522 3.240 40 0 HGABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccc(O)c(F)c1)CCO2 ZINC000306142697 568904549 /nfs/dbraw/zinc/90/45/49/568904549.db2.gz XGPAYDPXDQCLND-RXVVDRJESA-N 1 2 419.522 3.240 40 0 HGABLO OCCCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccc2)[nH+]1 ZINC000329066945 568975471 /nfs/dbraw/zinc/97/54/71/568975471.db2.gz YEZIQBKDQLLLEK-UHFFFAOYSA-N 1 2 417.282 3.427 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O ZINC000009450430 569392960 /nfs/dbraw/zinc/39/29/60/569392960.db2.gz DGCKMEPKTUBWJY-NMLACTOBSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O ZINC000009450430 569392961 /nfs/dbraw/zinc/39/29/61/569392961.db2.gz DGCKMEPKTUBWJY-NMLACTOBSA-N 1 2 424.884 3.184 40 0 HGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(OC)cc1 ZINC000261363015 569413501 /nfs/dbraw/zinc/41/35/01/569413501.db2.gz FQKHFHRJXYUJGE-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000225401181 291235794 /nfs/dbraw/zinc/23/57/94/291235794.db2.gz GCSVLRAYZRRTGW-RBUKOAKNSA-N 1 2 419.447 3.273 40 0 biogenic,in-vitro HGABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000225401181 291235797 /nfs/dbraw/zinc/23/57/97/291235797.db2.gz GCSVLRAYZRRTGW-RBUKOAKNSA-N 1 2 419.447 3.273 40 0 biogenic,in-vitro HGABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c(OC)c1OC ZINC000015674111 291240201 /nfs/dbraw/zinc/24/02/01/291240201.db2.gz CPXJOHGYUNFQSV-SJORKVTESA-N 1 2 411.458 3.070 40 0 biogenic,in-vitro HGABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c(OC)c1OC ZINC000015674111 291240202 /nfs/dbraw/zinc/24/02/02/291240202.db2.gz CPXJOHGYUNFQSV-SJORKVTESA-N 1 2 411.458 3.070 40 0 biogenic,in-vitro HGABLO COc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015675910 291240390 /nfs/dbraw/zinc/24/03/90/291240390.db2.gz JRWILRYJRXYENW-SFHVURJKSA-N 1 2 417.429 3.195 40 0 biogenic,in-vitro HGABLO COc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015675910 291240393 /nfs/dbraw/zinc/24/03/93/291240393.db2.gz JRWILRYJRXYENW-SFHVURJKSA-N 1 2 417.429 3.195 40 0 biogenic,in-vitro HGABLO Cn1c(C[N@@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccc21 ZINC000096269016 291242366 /nfs/dbraw/zinc/24/23/66/291242366.db2.gz HDMXPLYCZHCWKW-OAHLLOKOSA-N 1 2 406.408 3.267 40 0 biogenic,in-vitro HGABLO Cn1c(C[N@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccc21 ZINC000096269016 291242369 /nfs/dbraw/zinc/24/23/69/291242369.db2.gz HDMXPLYCZHCWKW-OAHLLOKOSA-N 1 2 406.408 3.267 40 0 biogenic,in-vitro HGABLO Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225747681 526216014 /nfs/dbraw/zinc/21/60/14/526216014.db2.gz NUMIWJGNJANVFZ-VMPITWQZSA-N 1 2 401.510 3.168 40 0 HGABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2ccccc2)CC1 ZINC000035290716 557676232 /nfs/dbraw/zinc/67/62/32/557676232.db2.gz PFAYLWYCLBPQQO-QFIPXVFZSA-N 1 2 420.561 3.344 40 0 HGABLO Nc1n[nH]c2nc([C@H]3CCCC[N@@H+]3CC(=O)N3CCCCC3)cc(C(F)(F)F)c12 ZINC000019743398 558263983 /nfs/dbraw/zinc/26/39/83/558263983.db2.gz BSGAWTYCPJMXOO-CQSZACIVSA-N 1 2 410.444 3.098 40 0 HGABLO Nc1n[nH]c2nc([C@H]3CCCC[N@H+]3CC(=O)N3CCCCC3)cc(C(F)(F)F)c12 ZINC000019743398 558263985 /nfs/dbraw/zinc/26/39/85/558263985.db2.gz BSGAWTYCPJMXOO-CQSZACIVSA-N 1 2 410.444 3.098 40 0 HGABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000019758591 558274958 /nfs/dbraw/zinc/27/49/58/558274958.db2.gz HNYBTMAYTCESSY-UHFFFAOYSA-N 1 2 422.529 3.251 40 0 HGABLO O=S(=O)(Cc1ccc(Br)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020038777 558325402 /nfs/dbraw/zinc/32/54/02/558325402.db2.gz MRFSRBIGFJBCIF-UHFFFAOYSA-N 1 2 406.305 3.254 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)c(=O)c2c1C ZINC000012184111 558344104 /nfs/dbraw/zinc/34/41/04/558344104.db2.gz YBCPQIUPCVLGJC-QGZVFWFLSA-N 1 2 416.591 3.458 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)c(=O)c2c1C ZINC000012184111 558344107 /nfs/dbraw/zinc/34/41/07/558344107.db2.gz YBCPQIUPCVLGJC-QGZVFWFLSA-N 1 2 416.591 3.458 40 0 HGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cc(COC)ccc4OC)C3)[nH]n2c1=O ZINC000012276364 558364177 /nfs/dbraw/zinc/36/41/77/558364177.db2.gz TVJZUSAQGTYFOU-QGZVFWFLSA-N 1 2 410.518 3.450 40 0 HGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cc(COC)ccc4OC)C3)[nH]n2c1=O ZINC000012276364 558364181 /nfs/dbraw/zinc/36/41/81/558364181.db2.gz TVJZUSAQGTYFOU-QGZVFWFLSA-N 1 2 410.518 3.450 40 0 HGABLO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020489691 558377478 /nfs/dbraw/zinc/37/74/78/558377478.db2.gz GMQPIQZJQGYZAE-INIZCTEOSA-N 1 2 414.527 3.249 40 0 HGABLO O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022468471 558491101 /nfs/dbraw/zinc/49/11/01/558491101.db2.gz MRXHFMKWMDWNLY-UHFFFAOYSA-N 1 2 419.934 3.064 40 0 HGABLO Cc1nc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000013636284 558554332 /nfs/dbraw/zinc/55/43/32/558554332.db2.gz BBVMVOPXMHUQJO-INIZCTEOSA-N 1 2 406.530 3.443 40 0 HGABLO Cc1ccc(C)c(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000019366003 558876734 /nfs/dbraw/zinc/87/67/34/558876734.db2.gz NJOYXILDEFCESZ-BJKOFHAPSA-N 1 2 408.542 3.260 40 0 HGABLO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)cc1 ZINC000072345969 558942698 /nfs/dbraw/zinc/94/26/98/558942698.db2.gz RCCMHIMQVHMULS-HNNXBMFYSA-N 1 2 424.530 3.009 40 0 HGABLO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)cc1 ZINC000072345969 558942702 /nfs/dbraw/zinc/94/27/02/558942702.db2.gz RCCMHIMQVHMULS-HNNXBMFYSA-N 1 2 424.530 3.009 40 0 HGABLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(Oc4cnccn4)CC3)n2)cc1 ZINC000019656737 558949356 /nfs/dbraw/zinc/94/93/56/558949356.db2.gz YBQGSNMAMKYLIP-UHFFFAOYSA-N 1 2 409.515 3.390 40 0 HGABLO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000072358602 558954345 /nfs/dbraw/zinc/95/43/45/558954345.db2.gz WDZQXZUWORNZQE-INIZCTEOSA-N 1 2 409.515 3.427 40 0 HGABLO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000072358602 558954347 /nfs/dbraw/zinc/95/43/47/558954347.db2.gz WDZQXZUWORNZQE-INIZCTEOSA-N 1 2 409.515 3.427 40 0 HGABLO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)N2CCCC2)C1 ZINC000585101973 559025140 /nfs/dbraw/zinc/02/51/40/559025140.db2.gz NRWIASJYTIBYNG-QHCPKHFHSA-N 1 2 401.551 3.188 40 0 HGABLO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)N2CCCC2)C1 ZINC000585101973 559025141 /nfs/dbraw/zinc/02/51/41/559025141.db2.gz NRWIASJYTIBYNG-QHCPKHFHSA-N 1 2 401.551 3.188 40 0 HGABLO Cc1nc(Nc2cc([C@H]3CCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)sc1C ZINC000585291175 559123650 /nfs/dbraw/zinc/12/36/50/559123650.db2.gz LHFUXIABCNWGRU-RGDDUWESSA-N 1 2 409.519 3.354 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000072216201 559169388 /nfs/dbraw/zinc/16/93/88/559169388.db2.gz MRIYTYMADSTKNZ-FQEVSTJZSA-N 1 2 401.532 3.143 40 0 HGABLO Cn1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)cn1 ZINC000514289948 560031101 /nfs/dbraw/zinc/03/11/01/560031101.db2.gz PDWZIMNBLDLILV-IRFCIJBXSA-N 1 2 404.580 3.101 40 0 biogenic,in-vitro HGABLO Cn1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)cn1 ZINC000514289948 560031102 /nfs/dbraw/zinc/03/11/02/560031102.db2.gz PDWZIMNBLDLILV-IRFCIJBXSA-N 1 2 404.580 3.101 40 0 biogenic,in-vitro HGABLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000004553925 560607293 /nfs/dbraw/zinc/60/72/93/560607293.db2.gz FGHUAHMBZBDDOQ-LSDHHAIUSA-N 1 2 418.888 3.254 40 0 HGABLO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014399149 560841931 /nfs/dbraw/zinc/84/19/31/560841931.db2.gz SDFJAJKABIIMND-OAHLLOKOSA-N 1 2 402.878 3.180 40 0 HGABLO COc1cccc([C@]2(O)CCC[C@@H]3CN(C(=O)c4ccc(Cn5cc[nH+]c5)o4)C[C@@H]32)c1 ZINC000019565030 560874080 /nfs/dbraw/zinc/87/40/80/560874080.db2.gz PUOVVUAOMKNVBT-QATBIIFWSA-N 1 2 421.497 3.293 40 0 HGABLO CCc1cccc(CC)c1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019523020 560874527 /nfs/dbraw/zinc/87/45/27/560874527.db2.gz WMZBJOZDQACVCQ-UHFFFAOYSA-N 1 2 409.530 3.296 40 0 HGABLO O=C(NCc1nc(-c2ccccc2Cl)no1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219248501 568488546 /nfs/dbraw/zinc/48/85/46/568488546.db2.gz IXQYECYBIKEDSY-UHFFFAOYSA-N 1 2 412.877 3.152 40 0 HGABLO CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670358 568494584 /nfs/dbraw/zinc/49/45/84/568494584.db2.gz PKSCXRDJJQPXCK-MOPGFXCFSA-N 1 2 404.946 3.025 40 0 HGABLO Cc1ccc(C)c(N2CC[NH+]([C@H](CC(C)C)c3nnnn3C[C@@H]3CCCO3)CC2)c1 ZINC000057670503 568494687 /nfs/dbraw/zinc/49/46/87/568494687.db2.gz NEQLBBBDOZNFGI-RBBKRZOGSA-N 1 2 412.582 3.378 40 0 HGABLO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057670823 568494920 /nfs/dbraw/zinc/49/49/20/568494920.db2.gz UZURYGOXPGLNRO-OAQYLSRUSA-N 1 2 410.497 3.085 40 0 HGABLO Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223167978 568539913 /nfs/dbraw/zinc/53/99/13/568539913.db2.gz ZJWCHUVMAFWNGV-QZTJIDSGSA-N 1 2 402.589 3.146 40 0 HGABLO CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223346048 568545912 /nfs/dbraw/zinc/54/59/12/568545912.db2.gz HGQSBDLTTQEWNE-DEOSSOPVSA-N 1 2 423.557 3.005 40 0 HGABLO O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224057814 568568013 /nfs/dbraw/zinc/56/80/13/568568013.db2.gz DDANIZZHMUVFQP-UHFFFAOYSA-N 1 2 424.888 3.212 40 0 HGABLO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)CCOCC2)cc1 ZINC000225568951 568652160 /nfs/dbraw/zinc/65/21/60/568652160.db2.gz HGZVUPRMJDAHBF-UHFFFAOYSA-N 1 2 424.541 3.393 40 0 HGABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000247310334 568744549 /nfs/dbraw/zinc/74/45/49/568744549.db2.gz IFPJCIKFNYVVTI-MJGOQNOKSA-N 1 2 410.461 3.351 40 0 HGABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000247310334 568744551 /nfs/dbraw/zinc/74/45/51/568744551.db2.gz IFPJCIKFNYVVTI-MJGOQNOKSA-N 1 2 410.461 3.351 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@H](OC)[C@]4(CCCO4)C3)n2)cc1 ZINC000257222511 568782708 /nfs/dbraw/zinc/78/27/08/568782708.db2.gz DTODUGWAHJJULW-NQIIRXRSSA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](OC)[C@]4(CCCO4)C3)n2)cc1 ZINC000257222511 568782709 /nfs/dbraw/zinc/78/27/09/568782709.db2.gz DTODUGWAHJJULW-NQIIRXRSSA-N 1 2 417.531 3.027 40 0 HGABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 ZINC000257304166 568805739 /nfs/dbraw/zinc/80/57/39/568805739.db2.gz SKHLZCNADBQGMP-YLJYHZDGSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 ZINC000257304166 568805740 /nfs/dbraw/zinc/80/57/40/568805740.db2.gz SKHLZCNADBQGMP-YLJYHZDGSA-N 1 2 405.495 3.158 40 0 HGABLO CCCN1CC[N@H+](Cc2cc[nH]n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257330088 568813178 /nfs/dbraw/zinc/81/31/78/568813178.db2.gz XMTFWFXYSAKDML-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2cc[nH]n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257330088 568813179 /nfs/dbraw/zinc/81/31/79/568813179.db2.gz XMTFWFXYSAKDML-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO Cc1cc(OCC(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c2ccccc2[nH+]1 ZINC000257341993 568816704 /nfs/dbraw/zinc/81/67/04/568816704.db2.gz ZMQRPTRUWGQEFB-UNMCSNQZSA-N 1 2 424.472 3.492 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCO[C@@]2(CCCC[C@H]2NC(C)=O)C1 ZINC000306126217 568888858 /nfs/dbraw/zinc/88/88/58/568888858.db2.gz DPUZVKWEINYENO-MOPGFXCFSA-N 1 2 416.440 3.244 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCO[C@@]2(CCCC[C@H]2NC(C)=O)C1 ZINC000306126217 568888859 /nfs/dbraw/zinc/88/88/59/568888859.db2.gz DPUZVKWEINYENO-MOPGFXCFSA-N 1 2 416.440 3.244 40 0 HGABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000306129551 568891984 /nfs/dbraw/zinc/89/19/84/568891984.db2.gz IGTOVVINPFXFGV-NQIIRXRSSA-N 1 2 417.579 3.173 40 0 HGABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000306129551 568891987 /nfs/dbraw/zinc/89/19/87/568891987.db2.gz IGTOVVINPFXFGV-NQIIRXRSSA-N 1 2 417.579 3.173 40 0 HGABLO O=C1N(CC2CCOCC2)C[C@@]2(F)C[N@@H+](Cc3cccc4ccccc43)C[C@@]12F ZINC000306131555 568893989 /nfs/dbraw/zinc/89/39/89/568893989.db2.gz KINARBYHLZEIFB-XZOQPEGZSA-N 1 2 400.469 3.341 40 0 HGABLO O=C1N(CC2CCOCC2)C[C@@]2(F)C[N@H+](Cc3cccc4ccccc43)C[C@@]12F ZINC000306131555 568893990 /nfs/dbraw/zinc/89/39/90/568893990.db2.gz KINARBYHLZEIFB-XZOQPEGZSA-N 1 2 400.469 3.341 40 0 HGABLO COc1ncccc1C[N@@H+]1CCN(C)[C@H](c2nnn3cc(-c4ccsc4)ccc23)C1 ZINC000306140693 568902639 /nfs/dbraw/zinc/90/26/39/568902639.db2.gz VBAGWVQTPOCFKT-FQEVSTJZSA-N 1 2 420.542 3.350 40 0 HGABLO COc1ncccc1C[N@H+]1CCN(C)[C@H](c2nnn3cc(-c4ccsc4)ccc23)C1 ZINC000306140693 568902640 /nfs/dbraw/zinc/90/26/40/568902640.db2.gz VBAGWVQTPOCFKT-FQEVSTJZSA-N 1 2 420.542 3.350 40 0 HGABLO O=S(=O)(c1cccc(F)c1)N1CCC[C@@]2(C[N@H+](Cc3cccs3)CCO2)CC1 ZINC000306144501 568905819 /nfs/dbraw/zinc/90/58/19/568905819.db2.gz ZGSNTGNSUKFYQE-FQEVSTJZSA-N 1 2 424.563 3.333 40 0 HGABLO O=S(=O)(c1cccc(F)c1)N1CCC[C@@]2(C[N@@H+](Cc3cccs3)CCO2)CC1 ZINC000306144501 568905820 /nfs/dbraw/zinc/90/58/20/568905820.db2.gz ZGSNTGNSUKFYQE-FQEVSTJZSA-N 1 2 424.563 3.333 40 0 HGABLO C[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328966892 568970220 /nfs/dbraw/zinc/97/02/20/568970220.db2.gz COPNIGNVYXFMHH-CQSZACIVSA-N 1 2 413.319 3.155 40 0 HGABLO CCNc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328979612 568971106 /nfs/dbraw/zinc/97/11/06/568971106.db2.gz GHUHJTPBFKYPTH-UHFFFAOYSA-N 1 2 403.408 3.367 40 0 HGABLO C[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329008463 568972364 /nfs/dbraw/zinc/97/23/64/568972364.db2.gz LQRLFEFCGWSINK-AWEZNQCLSA-N 1 2 413.319 3.155 40 0 HGABLO OCCNc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329018958 568972769 /nfs/dbraw/zinc/97/27/69/568972769.db2.gz NUGCECZIZMLUCP-UHFFFAOYSA-N 1 2 422.382 3.041 40 0 HGABLO OCCCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329022672 568973322 /nfs/dbraw/zinc/97/33/22/568973322.db2.gz OPBXMURIZNNYOR-UHFFFAOYSA-N 1 2 413.319 3.156 40 0 HGABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCO)n2)c1 ZINC000329037530 568974175 /nfs/dbraw/zinc/97/41/75/568974175.db2.gz ROGSKCFHSALDPH-UHFFFAOYSA-N 1 2 418.419 3.211 40 0 HGABLO Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000019332619 569326875 /nfs/dbraw/zinc/32/68/75/569326875.db2.gz OKSSFSWDJNGFKE-JOCHJYFZSA-N 1 2 421.524 3.230 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C1)CO2 ZINC000019692466 569346116 /nfs/dbraw/zinc/34/61/16/569346116.db2.gz NBYQHRLHZIIQBM-HSZRJFAPSA-N 1 2 404.470 3.330 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C1)CO2 ZINC000019692466 569346117 /nfs/dbraw/zinc/34/61/17/569346117.db2.gz NBYQHRLHZIIQBM-HSZRJFAPSA-N 1 2 404.470 3.330 40 0 HGABLO CCOc1cccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261364623 569413823 /nfs/dbraw/zinc/41/38/23/569413823.db2.gz MOJDLLPSTCXCFA-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)C[N@H+](Cc2ccccc2F)CCO1 ZINC000019700904 569428725 /nfs/dbraw/zinc/42/87/25/569428725.db2.gz MEHYRJMTGLOPBA-VWLOTQADSA-N 1 2 419.500 3.351 40 0 HGABLO O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)C[N@@H+](Cc2ccccc2F)CCO1 ZINC000019700904 569428726 /nfs/dbraw/zinc/42/87/26/569428726.db2.gz MEHYRJMTGLOPBA-VWLOTQADSA-N 1 2 419.500 3.351 40 0 HGABLO C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000253403449 291241410 /nfs/dbraw/zinc/24/14/10/291241410.db2.gz PXASUYNJUDNYRJ-AWEZNQCLSA-N 1 2 412.877 3.406 40 0 biogenic,in-vitro HGABLO Cc1ccc(C(=O)N2CC[N@@H+]3[C@@H](C2)CN(C(=O)NCc2ccccc2)CC3(C)C)cc1 ZINC000253399381 291242079 /nfs/dbraw/zinc/24/20/79/291242079.db2.gz IZGYKQDHPCFOLP-QFIPXVFZSA-N 1 2 420.557 3.125 40 0 biogenic,in-vitro HGABLO Cc1ccc(C(=O)N2CC[N@H+]3[C@@H](C2)CN(C(=O)NCc2ccccc2)CC3(C)C)cc1 ZINC000253399381 291242082 /nfs/dbraw/zinc/24/20/82/291242082.db2.gz IZGYKQDHPCFOLP-QFIPXVFZSA-N 1 2 420.557 3.125 40 0 biogenic,in-vitro HGABLO CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1 ZINC000020673981 132470684 /nfs/dbraw/zinc/47/06/84/132470684.db2.gz CEUYTDTZFBAICT-MRXNPFEDSA-N 1 2 408.506 3.237 40 0 HGABLO CC[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000044849040 522874818 /nfs/dbraw/zinc/87/48/18/522874818.db2.gz SGECUMNZFVIZJR-IBGZPJMESA-N 1 2 400.450 3.056 40 0 HGABLO Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000044902083 524251395 /nfs/dbraw/zinc/25/13/95/524251395.db2.gz PHDSPKMSCUKTHH-LJQANCHMSA-N 1 2 410.514 3.452 40 0 HGABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(C)s2)c(OC)c1 ZINC000408628471 557562666 /nfs/dbraw/zinc/56/26/66/557562666.db2.gz XXQZRIUYMPHGRC-SFHVURJKSA-N 1 2 411.487 3.246 40 0 HGABLO Cc1cccc(OCc2nnc(SCC[NH+]3CCOCC3)n2Cc2ccco2)c1 ZINC000035311655 557687634 /nfs/dbraw/zinc/68/76/34/557687634.db2.gz LMOBRVLRQTYIIK-UHFFFAOYSA-N 1 2 414.531 3.231 40 0 HGABLO COC[C@H](C)NC(=O)C[N@@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719886 558258433 /nfs/dbraw/zinc/25/84/33/558258433.db2.gz ODRQRVZKTDRMOP-LBPRGKRZSA-N 1 2 413.465 3.338 40 0 HGABLO COC[C@H](C)NC(=O)C[N@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719886 558258436 /nfs/dbraw/zinc/25/84/36/558258436.db2.gz ODRQRVZKTDRMOP-LBPRGKRZSA-N 1 2 413.465 3.338 40 0 HGABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762389 558277214 /nfs/dbraw/zinc/27/72/14/558277214.db2.gz GNDSKHGXIQXXGZ-QFIPXVFZSA-N 1 2 407.518 3.301 40 0 HGABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762389 558277216 /nfs/dbraw/zinc/27/72/16/558277216.db2.gz GNDSKHGXIQXXGZ-QFIPXVFZSA-N 1 2 407.518 3.301 40 0 HGABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764408 558277910 /nfs/dbraw/zinc/27/79/10/558277910.db2.gz MWPGIGLRINFPGV-OAQYLSRUSA-N 1 2 422.508 3.315 40 0 HGABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764408 558277912 /nfs/dbraw/zinc/27/79/12/558277912.db2.gz MWPGIGLRINFPGV-OAQYLSRUSA-N 1 2 422.508 3.315 40 0 HGABLO COc1cc(CNC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc(OC)c1 ZINC000012116445 558328596 /nfs/dbraw/zinc/32/85/96/558328596.db2.gz PCDKALIPDXPVSN-KRWDZBQOSA-N 1 2 408.502 3.123 40 0 HGABLO CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)CC1 ZINC000020454621 558368571 /nfs/dbraw/zinc/36/85/71/558368571.db2.gz NJPJKIFPOSLREK-UHFFFAOYSA-N 1 2 421.950 3.227 40 0 HGABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000013636620 558554794 /nfs/dbraw/zinc/55/47/94/558554794.db2.gz LGICXQNMFARDRV-NRFANRHFSA-N 1 2 422.481 3.386 40 0 HGABLO C[C@]1(C[NH+]2CCOCC2)COc2c(Br)cc(Br)cc2C1=O ZINC000016578162 558796261 /nfs/dbraw/zinc/79/62/61/558796261.db2.gz SHIQWDKVCDDWOV-HNNXBMFYSA-N 1 2 419.113 3.125 40 0 HGABLO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000016739480 558802961 /nfs/dbraw/zinc/80/29/61/558802961.db2.gz YDKTUTATGPPYQA-HXUWFJFHSA-N 1 2 402.922 3.495 40 0 HGABLO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 ZINC000019022464 558838040 /nfs/dbraw/zinc/83/80/40/558838040.db2.gz KJBKFLKPBCQLJP-KRWDZBQOSA-N 1 2 412.515 3.070 40 0 HGABLO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 ZINC000019022464 558838041 /nfs/dbraw/zinc/83/80/41/558838041.db2.gz KJBKFLKPBCQLJP-KRWDZBQOSA-N 1 2 412.515 3.070 40 0 HGABLO O=C(CCn1cc[nH+]c1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 ZINC000019340516 558871696 /nfs/dbraw/zinc/87/16/96/558871696.db2.gz BTBWMCCAIHFFRX-UHFFFAOYSA-N 1 2 404.449 3.154 40 0 HGABLO O=C1c2cccc3cccc(c32)C(=O)N1c1ccc([C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000019418458 558885341 /nfs/dbraw/zinc/88/53/41/558885341.db2.gz ZMVWVFJWADLCHC-NRFANRHFSA-N 1 2 402.450 3.006 40 0 HGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)C5CCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448129 558886991 /nfs/dbraw/zinc/88/69/91/558886991.db2.gz DHORIGUTLKHWSS-UHFFFAOYSA-N 1 2 411.550 3.098 40 0 HGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C5CCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448129 558886993 /nfs/dbraw/zinc/88/69/93/558886993.db2.gz DHORIGUTLKHWSS-UHFFFAOYSA-N 1 2 411.550 3.098 40 0 HGABLO Cc1ccc2c(c1)cc(C[N@H+](Cc1nnnn1C(C)(C)C)C1CCCC1)c1nnnn12 ZINC000057679023 558889769 /nfs/dbraw/zinc/88/97/69/558889769.db2.gz WZJKNEQMKCUOBP-UHFFFAOYSA-N 1 2 419.537 3.272 40 0 HGABLO Cc1ccc2c(c1)cc(C[N@@H+](Cc1nnnn1C(C)(C)C)C1CCCC1)c1nnnn12 ZINC000057679023 558889772 /nfs/dbraw/zinc/88/97/72/558889772.db2.gz WZJKNEQMKCUOBP-UHFFFAOYSA-N 1 2 419.537 3.272 40 0 HGABLO CCC(=O)N1CCc2cc(C(=O)C[NH+]3CCC(O)(c4ccccc4F)CC3)ccc21 ZINC000057811718 558890868 /nfs/dbraw/zinc/89/08/68/558890868.db2.gz FZMUNDMQQLGAJO-UHFFFAOYSA-N 1 2 410.489 3.291 40 0 HGABLO CCn1ncc(S(=O)(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)c1C ZINC000019524006 558905253 /nfs/dbraw/zinc/90/52/53/558905253.db2.gz CUHIERRZNBTRDK-HNNXBMFYSA-N 1 2 407.565 3.106 40 0 HGABLO CCCc1oc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019525221 558906460 /nfs/dbraw/zinc/90/64/60/558906460.db2.gz YQKBOAZONRHALT-OAQYLSRUSA-N 1 2 411.546 3.193 40 0 HGABLO CCCc1oc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019525221 558906462 /nfs/dbraw/zinc/90/64/62/558906462.db2.gz YQKBOAZONRHALT-OAQYLSRUSA-N 1 2 411.546 3.193 40 0 HGABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@H](Cc2ccc(-c3ccncc3)cc2)C1 ZINC000019578103 558933753 /nfs/dbraw/zinc/93/37/53/558933753.db2.gz ROAFKSZKEOGHOP-HSZRJFAPSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@H](Cc2ccc(-c3ccncc3)cc2)C1 ZINC000019578103 558933755 /nfs/dbraw/zinc/93/37/55/558933755.db2.gz ROAFKSZKEOGHOP-HSZRJFAPSA-N 1 2 417.557 3.488 40 0 HGABLO COc1ccc([C@H](CN(C)C(=O)Cc2ccc3c(c2)CCC3)[NH+]2CCOCC2)cc1 ZINC000019585959 558939189 /nfs/dbraw/zinc/93/91/89/558939189.db2.gz LXSULZWOJYOFGS-DEOSSOPVSA-N 1 2 408.542 3.258 40 0 HGABLO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000061966126 558947449 /nfs/dbraw/zinc/94/74/49/558947449.db2.gz INSCQEAVGRBJKG-UHFFFAOYSA-N 1 2 408.498 3.425 40 0 HGABLO CCCN1CC[N@H+](Cc2cnn(C)c2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351752 558948113 /nfs/dbraw/zinc/94/81/13/558948113.db2.gz AMNHKUYYIIWYSN-QHCPKHFHSA-N 1 2 403.530 3.148 40 0 HGABLO CCCN1CC[N@@H+](Cc2cnn(C)c2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351752 558948115 /nfs/dbraw/zinc/94/81/15/558948115.db2.gz AMNHKUYYIIWYSN-QHCPKHFHSA-N 1 2 403.530 3.148 40 0 HGABLO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)nn1 ZINC000019660085 558951281 /nfs/dbraw/zinc/95/12/81/558951281.db2.gz PKKCKNIZGIPIFV-JOCHJYFZSA-N 1 2 422.508 3.160 40 0 HGABLO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)nn1 ZINC000019660085 558951283 /nfs/dbraw/zinc/95/12/83/558951283.db2.gz PKKCKNIZGIPIFV-JOCHJYFZSA-N 1 2 422.508 3.160 40 0 HGABLO COCC[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 ZINC000019695758 558964111 /nfs/dbraw/zinc/96/41/11/558964111.db2.gz PSLOJNKKWKVPOQ-LJQANCHMSA-N 1 2 410.518 3.056 40 0 HGABLO COCC[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 ZINC000019695758 558964113 /nfs/dbraw/zinc/96/41/13/558964113.db2.gz PSLOJNKKWKVPOQ-LJQANCHMSA-N 1 2 410.518 3.056 40 0 HGABLO COCC[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 ZINC000019695964 558964283 /nfs/dbraw/zinc/96/42/83/558964283.db2.gz JAEJSNVFKHVPAB-OAQYLSRUSA-N 1 2 408.546 3.480 40 0 HGABLO COCC[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 ZINC000019695964 558964284 /nfs/dbraw/zinc/96/42/84/558964284.db2.gz JAEJSNVFKHVPAB-OAQYLSRUSA-N 1 2 408.546 3.480 40 0 HGABLO CNc1nc([C@@H]2CCCC[N@@H+]2C)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000072376550 558965892 /nfs/dbraw/zinc/96/58/92/558965892.db2.gz GCTMHUFQFRBGOP-NRFANRHFSA-N 1 2 423.561 3.201 40 0 HGABLO CNc1nc([C@@H]2CCCC[N@H+]2C)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000072376550 558965893 /nfs/dbraw/zinc/96/58/93/558965893.db2.gz GCTMHUFQFRBGOP-NRFANRHFSA-N 1 2 423.561 3.201 40 0 HGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)C[C@@H]5C=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000072389797 558970198 /nfs/dbraw/zinc/97/01/98/558970198.db2.gz UDFYSTJDYLXICK-QGZVFWFLSA-N 1 2 423.561 3.264 40 0 HGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C[C@@H]5C=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000072389797 558970203 /nfs/dbraw/zinc/97/02/03/558970203.db2.gz UDFYSTJDYLXICK-QGZVFWFLSA-N 1 2 423.561 3.264 40 0 HGABLO CCc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c2c(C)noc2n1 ZINC000019714524 558974519 /nfs/dbraw/zinc/97/45/19/558974519.db2.gz NDQSNSZEQMRFSZ-HXUWFJFHSA-N 1 2 408.502 3.205 40 0 HGABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)cc1 ZINC000585111159 559031657 /nfs/dbraw/zinc/03/16/57/559031657.db2.gz HFNOIVIQAJXYQV-UHFFFAOYSA-N 1 2 417.513 3.273 40 0 HGABLO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080561 559094963 /nfs/dbraw/zinc/09/49/63/559094963.db2.gz IFPJCIKFNYVVTI-PKOBYXMFSA-N 1 2 410.461 3.351 40 0 HGABLO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080561 559094965 /nfs/dbraw/zinc/09/49/65/559094965.db2.gz IFPJCIKFNYVVTI-PKOBYXMFSA-N 1 2 410.461 3.351 40 0 HGABLO O=C(NCC1CC1)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1ccsc1)CCC2 ZINC000096251408 559105395 /nfs/dbraw/zinc/10/53/95/559105395.db2.gz CFPQDIKRTHGXRX-CVDCTZTESA-N 1 2 424.570 3.028 40 0 HGABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(C(=O)c1cccc(N(C)C)c1)CC2 ZINC000096254253 559105862 /nfs/dbraw/zinc/10/58/62/559105862.db2.gz QGVSGYKPBQFUFS-UHFFFAOYSA-N 1 2 408.550 3.162 40 0 HGABLO Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)n2)n1 ZINC000585292004 559124482 /nfs/dbraw/zinc/12/44/82/559124482.db2.gz WRACDZQOGBNIMF-IJDCCNJMSA-N 1 2 403.490 3.375 40 0 HGABLO Cc1cccnc1Nc1cc(C[C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)ncn1 ZINC000585292284 559124722 /nfs/dbraw/zinc/12/47/22/559124722.db2.gz ZSVOSDUUUKEDMN-LXXRFIIISA-N 1 2 403.490 3.141 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2N2CCOCC2)cc1 ZINC000072216260 559169454 /nfs/dbraw/zinc/16/94/54/559169454.db2.gz LZKKZVWGFITEFL-HXUWFJFHSA-N 1 2 401.532 3.143 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000000892906 560543105 /nfs/dbraw/zinc/54/31/05/560543105.db2.gz XWXJQOHCVPXFRR-FQEVSTJZSA-N 1 2 408.506 3.214 40 0 HGABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000000889015 560542309 /nfs/dbraw/zinc/54/23/09/560542309.db2.gz CVSPEMDCNMCMFP-JOCHJYFZSA-N 1 2 414.513 3.447 40 0 HGABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000908891 560545907 /nfs/dbraw/zinc/54/59/07/560545907.db2.gz IYWAEUYDSUXXHT-OAQYLSRUSA-N 1 2 418.476 3.196 40 0 HGABLO Cc1ccc2cc(C[N@@H+](CCO)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000004848017 560609634 /nfs/dbraw/zinc/60/96/34/560609634.db2.gz WTPAAXPSPUHGOH-NRFANRHFSA-N 1 2 424.549 3.130 40 0 HGABLO Cc1ccc2cc(C[N@H+](CCO)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000004848017 560609636 /nfs/dbraw/zinc/60/96/36/560609636.db2.gz WTPAAXPSPUHGOH-NRFANRHFSA-N 1 2 424.549 3.130 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000100619420 560725677 /nfs/dbraw/zinc/72/56/77/560725677.db2.gz KEOOPWCVXLHHMW-SWLSCSKDSA-N 1 2 408.384 3.153 40 0 HGABLO COCCNC(=S)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019312265 560872637 /nfs/dbraw/zinc/87/26/37/560872637.db2.gz SXENJJZXDWJVSB-UHFFFAOYSA-N 1 2 405.514 3.193 40 0 HGABLO CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019529695 560875051 /nfs/dbraw/zinc/87/50/51/560875051.db2.gz KIGAHMOFTZZRJP-VKDGWMQASA-N 1 2 406.482 3.075 40 0 HGABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 ZINC000020140892 560881363 /nfs/dbraw/zinc/88/13/63/560881363.db2.gz ZJYOKHPQXBLZMY-HSZRJFAPSA-N 1 2 420.561 3.245 40 0 HGABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccccc2Cl)CC[C@@]1(C)O ZINC000604383295 568489670 /nfs/dbraw/zinc/48/96/70/568489670.db2.gz SXNIPTDEWBLHFK-SLFFLAALSA-N 1 2 408.951 3.231 40 0 biogenic,in-vitro HGABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccccc2Cl)CC[C@@]1(C)O ZINC000604383295 568489672 /nfs/dbraw/zinc/48/96/72/568489672.db2.gz SXNIPTDEWBLHFK-SLFFLAALSA-N 1 2 408.951 3.231 40 0 biogenic,in-vitro HGABLO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670991 568494957 /nfs/dbraw/zinc/49/49/57/568494957.db2.gz PRZMGSOFJKDQNB-JOCHJYFZSA-N 1 2 406.534 3.393 40 0 HGABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CC[NH+]1CCOCC1 ZINC000223125703 568538607 /nfs/dbraw/zinc/53/86/07/568538607.db2.gz FYWZDWDQTWFZCR-DLBZAZTESA-N 1 2 408.980 3.101 40 0 HGABLO Cc1cc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000225651395 568660197 /nfs/dbraw/zinc/66/01/97/568660197.db2.gz XEJSKVUOJGITIC-UHFFFAOYSA-N 1 2 415.559 3.109 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257222274 568782829 /nfs/dbraw/zinc/78/28/29/568782829.db2.gz DSQIIRAWOSVOCR-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257222274 568782831 /nfs/dbraw/zinc/78/28/31/568782831.db2.gz DSQIIRAWOSVOCR-OAQYLSRUSA-N 1 2 415.925 3.300 40 0 HGABLO COc1ccccc1[C@H]1CN(C(=O)C2(c3ccccc3F)CCOCC2)CC[N@@H+]1C ZINC000257245136 568788892 /nfs/dbraw/zinc/78/88/92/568788892.db2.gz IOEMVGOAWDHFSV-OAQYLSRUSA-N 1 2 412.505 3.398 40 0 HGABLO COc1ccccc1[C@H]1CN(C(=O)C2(c3ccccc3F)CCOCC2)CC[N@H+]1C ZINC000257245136 568788894 /nfs/dbraw/zinc/78/88/94/568788894.db2.gz IOEMVGOAWDHFSV-OAQYLSRUSA-N 1 2 412.505 3.398 40 0 HGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@](C)(O)[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000257248563 568789844 /nfs/dbraw/zinc/78/98/44/568789844.db2.gz JEFJJCNFOCMFGG-UGKGYDQZSA-N 1 2 413.905 3.270 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@]4(CCCO4)[C@H](OC)C3)n2)cc1 ZINC000257289002 568801306 /nfs/dbraw/zinc/80/13/06/568801306.db2.gz PWOSLNNRMBGAGK-WIYYLYMNSA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@]4(CCCO4)[C@H](OC)C3)n2)cc1 ZINC000257289002 568801309 /nfs/dbraw/zinc/80/13/09/568801309.db2.gz PWOSLNNRMBGAGK-WIYYLYMNSA-N 1 2 417.531 3.027 40 0 HGABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C ZINC000257312745 568807898 /nfs/dbraw/zinc/80/78/98/568807898.db2.gz UPIYREZAXTYAHY-MRXNPFEDSA-N 1 2 415.501 3.157 40 0 HGABLO Cc1cc(N2CCC[C@@](C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)C2)nc[nH+]1 ZINC000257319811 568810246 /nfs/dbraw/zinc/81/02/46/568810246.db2.gz VUDXNIBSUVCBFT-OAQYLSRUSA-N 1 2 410.547 3.237 40 0 HGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n1 ZINC000257324836 568811805 /nfs/dbraw/zinc/81/18/05/568811805.db2.gz WQKDQSAZNGJKNT-QFIPXVFZSA-N 1 2 423.561 3.199 40 0 HGABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@]12CCCO2 ZINC000257329627 568813025 /nfs/dbraw/zinc/81/30/25/568813025.db2.gz XKTLYFYXNQXFBZ-WIYYLYMNSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@]12CCCO2 ZINC000257329627 568813027 /nfs/dbraw/zinc/81/30/27/568813027.db2.gz XKTLYFYXNQXFBZ-WIYYLYMNSA-N 1 2 419.522 3.081 40 0 HGABLO c1cncc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 ZINC000306131198 568893461 /nfs/dbraw/zinc/89/34/61/568893461.db2.gz JYMKDXYXTHKAPD-QFIPXVFZSA-N 1 2 415.453 3.094 40 0 HGABLO c1cncc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 ZINC000306131198 568893463 /nfs/dbraw/zinc/89/34/63/568893463.db2.gz JYMKDXYXTHKAPD-QFIPXVFZSA-N 1 2 415.453 3.094 40 0 HGABLO CC(C)N1CC2(CC[NH+](Cc3nccs3)CC2)COc2ccccc2S1(=O)=O ZINC000306133021 568895138 /nfs/dbraw/zinc/89/51/38/568895138.db2.gz LZDRSJQRJDGOBR-UHFFFAOYSA-N 1 2 421.588 3.217 40 0 HGABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306138306 568900109 /nfs/dbraw/zinc/90/01/09/568900109.db2.gz RURADFDVMUUQFP-QFBILLFUSA-N 1 2 415.515 3.408 40 0 HGABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306138306 568900110 /nfs/dbraw/zinc/90/01/10/568900110.db2.gz RURADFDVMUUQFP-QFBILLFUSA-N 1 2 415.515 3.408 40 0 HGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306140221 568902177 /nfs/dbraw/zinc/90/21/77/568902177.db2.gz UNHUNLMPYNPRES-AUSIDOKSSA-N 1 2 420.490 3.233 40 0 HGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306140221 568902178 /nfs/dbraw/zinc/90/21/78/568902178.db2.gz UNHUNLMPYNPRES-AUSIDOKSSA-N 1 2 420.490 3.233 40 0 HGABLO C[C@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329006823 568972335 /nfs/dbraw/zinc/97/23/35/568972335.db2.gz LGNWZOCNQYWISI-GFCCVEGCSA-N 1 2 417.282 3.425 40 0 HGABLO FC(F)(F)Oc1cccc(-c2cc(NCc3cccnc3)nc(NC3CC3)[nH+]2)c1 ZINC000329051914 568974785 /nfs/dbraw/zinc/97/47/85/568974785.db2.gz UZAZTBAFLNHGQY-UHFFFAOYSA-N 1 2 401.392 3.467 40 0 HGABLO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000224147928 569052892 /nfs/dbraw/zinc/05/28/92/569052892.db2.gz HDJNFQQUQLINTF-UHFFFAOYSA-N 1 2 410.400 3.042 40 0 HGABLO Cc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245228983 569313680 /nfs/dbraw/zinc/31/36/80/569313680.db2.gz KOCORJAUWQZPKM-PMACEKPBSA-N 1 2 423.962 3.077 40 0 HGABLO Cc1ccc(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245228983 569313681 /nfs/dbraw/zinc/31/36/81/569313681.db2.gz KOCORJAUWQZPKM-PMACEKPBSA-N 1 2 423.962 3.077 40 0 HGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccccc1OC ZINC000261363048 569413623 /nfs/dbraw/zinc/41/36/23/569413623.db2.gz FRWTZKFRPZJTQR-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO Cc1cccnc1Nc1cncc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)n1 ZINC000585176636 571308961 /nfs/dbraw/zinc/30/89/61/571308961.db2.gz SPCUZYYTOWVRFG-UHFFFAOYSA-N 1 2 420.492 3.881 40 0 HGABLO CC(C)NC(=O)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474349 291233054 /nfs/dbraw/zinc/23/30/54/291233054.db2.gz XWPMDGHWQFOGKV-UHFFFAOYSA-N 1 2 414.575 3.103 40 0 biogenic,in-vitro HGABLO CC(C)NC(=O)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474349 291233056 /nfs/dbraw/zinc/23/30/56/291233056.db2.gz XWPMDGHWQFOGKV-UHFFFAOYSA-N 1 2 414.575 3.103 40 0 biogenic,in-vitro HGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3nccs3)CC[N@@H+]21 ZINC000253408178 291233195 /nfs/dbraw/zinc/23/31/95/291233195.db2.gz XEFZXXRMFHSDPO-KRWDZBQOSA-N 1 2 404.967 3.217 40 0 biogenic,in-vitro HGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3nccs3)CC[N@H+]21 ZINC000253408178 291233196 /nfs/dbraw/zinc/23/31/96/291233196.db2.gz XEFZXXRMFHSDPO-KRWDZBQOSA-N 1 2 404.967 3.217 40 0 biogenic,in-vitro HGABLO COc1ccccc1[C@H]1CC(=O)c2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2C1 ZINC000010157303 132345366 /nfs/dbraw/zinc/34/53/66/132345366.db2.gz HFXFVDSXESCLKJ-QGZVFWFLSA-N 1 2 415.497 3.120 40 0 HGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C3)CC1 ZINC000012182760 132355997 /nfs/dbraw/zinc/35/59/97/132355997.db2.gz JNYCSTANKJALSB-UHFFFAOYSA-N 1 2 422.451 3.463 40 0 HGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C3)CC1 ZINC000012182760 132355999 /nfs/dbraw/zinc/35/59/99/132355999.db2.gz JNYCSTANKJALSB-UHFFFAOYSA-N 1 2 422.451 3.463 40 0 HGABLO CCCn1c(C[NH+]2CCC3(CC2)NC(=O)c2cccnc2N3CC)nc2ccccc21 ZINC000012143619 535589541 /nfs/dbraw/zinc/58/95/41/535589541.db2.gz BXBPXMSOZARQMI-UHFFFAOYSA-N 1 2 418.545 3.403 40 0 HGABLO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1 ZINC000007109229 557735003 /nfs/dbraw/zinc/73/50/03/557735003.db2.gz DJRJZFXMITXKPP-UHFFFAOYSA-N 1 2 416.366 3.063 40 0 HGABLO CC1CCN(c2ncc(-c3c[nH+]cn3[C@@H](CO)Cc3ccc(N(C)C)cc3)cn2)CC1 ZINC000019719988 558258671 /nfs/dbraw/zinc/25/86/71/558258671.db2.gz STMINIBURDFFAU-JOCHJYFZSA-N 1 2 420.561 3.419 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 ZINC000019740658 558261620 /nfs/dbraw/zinc/26/16/20/558261620.db2.gz PYGLHJRYTUFFGW-FQEVSTJZSA-N 1 2 410.566 3.489 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 ZINC000019740658 558261622 /nfs/dbraw/zinc/26/16/22/558261622.db2.gz PYGLHJRYTUFFGW-FQEVSTJZSA-N 1 2 410.566 3.489 40 0 HGABLO COCCNC(=O)c1cc([C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000019759497 558275908 /nfs/dbraw/zinc/27/59/08/558275908.db2.gz SLJLETVXFQJBKH-QHCPKHFHSA-N 1 2 423.488 3.324 40 0 HGABLO COCCNC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000019759497 558275910 /nfs/dbraw/zinc/27/59/10/558275910.db2.gz SLJLETVXFQJBKH-QHCPKHFHSA-N 1 2 423.488 3.324 40 0 HGABLO COCCNC(=O)c1cc([C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000019759500 558275958 /nfs/dbraw/zinc/27/59/58/558275958.db2.gz SLJLETVXFQJBKH-HSZRJFAPSA-N 1 2 423.488 3.324 40 0 HGABLO COCCNC(=O)c1cc([C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000019759500 558275962 /nfs/dbraw/zinc/27/59/62/558275962.db2.gz SLJLETVXFQJBKH-HSZRJFAPSA-N 1 2 423.488 3.324 40 0 HGABLO CNC(=O)c1cnc(C)nc1[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000019766498 558278821 /nfs/dbraw/zinc/27/88/21/558278821.db2.gz NWORLWNPBZOXMO-NRFANRHFSA-N 1 2 423.561 3.109 40 0 HGABLO CNC(=O)c1cnc(C)nc1[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000019766498 558278825 /nfs/dbraw/zinc/27/88/25/558278825.db2.gz NWORLWNPBZOXMO-NRFANRHFSA-N 1 2 423.561 3.109 40 0 HGABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012118476 558329871 /nfs/dbraw/zinc/32/98/71/558329871.db2.gz FSTOFOSZYIPBKF-INIZCTEOSA-N 1 2 411.531 3.306 40 0 HGABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012118476 558329872 /nfs/dbraw/zinc/32/98/72/558329872.db2.gz FSTOFOSZYIPBKF-INIZCTEOSA-N 1 2 411.531 3.306 40 0 HGABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)CCn3cc[nH+]c3)cc2n1 ZINC000012221498 558356135 /nfs/dbraw/zinc/35/61/35/558356135.db2.gz SQABXZJUFRJWSF-OAHLLOKOSA-N 1 2 406.412 3.397 40 0 HGABLO Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000020635695 558395646 /nfs/dbraw/zinc/39/56/46/558395646.db2.gz AYJSEEPUXCGEBR-LBPRGKRZSA-N 1 2 414.897 3.075 40 0 HGABLO COc1nc2cc(C)ccc2cc1C[N@@H+]1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000012666639 558445197 /nfs/dbraw/zinc/44/51/97/558445197.db2.gz UHOONPQOKPLCRM-UHFFFAOYSA-N 1 2 413.481 3.255 40 0 HGABLO COc1nc2cc(C)ccc2cc1C[N@H+]1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000012666639 558445198 /nfs/dbraw/zinc/44/51/98/558445198.db2.gz UHOONPQOKPLCRM-UHFFFAOYSA-N 1 2 413.481 3.255 40 0 HGABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1I ZINC000038752101 558813580 /nfs/dbraw/zinc/81/35/80/558813580.db2.gz YDYMCXSWXHHZBJ-UHFFFAOYSA-N 1 2 403.223 3.407 40 0 HGABLO C[C@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)n1cc[nH+]c1 ZINC000019080274 558839101 /nfs/dbraw/zinc/83/91/01/558839101.db2.gz ZBSVWNBAWUOJBA-MRXNPFEDSA-N 1 2 404.449 3.325 40 0 HGABLO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)C[N@H+](Cc2cccc(C)n2)CCO1 ZINC000019236295 558855376 /nfs/dbraw/zinc/85/53/76/558855376.db2.gz KSIRDUDIOPPLRW-RUZDIDTESA-N 1 2 416.525 3.012 40 0 HGABLO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)C[N@@H+](Cc2cccc(C)n2)CCO1 ZINC000019236295 558855378 /nfs/dbraw/zinc/85/53/78/558855378.db2.gz KSIRDUDIOPPLRW-RUZDIDTESA-N 1 2 416.525 3.012 40 0 HGABLO Cc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCCn3cc[nH+]c3)CCOCC2)C1 ZINC000019236963 558856267 /nfs/dbraw/zinc/85/62/67/558856267.db2.gz HATZNPZWPDWHFH-LJQANCHMSA-N 1 2 410.518 3.078 40 0 HGABLO CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)CC1 ZINC000054363472 558867867 /nfs/dbraw/zinc/86/78/67/558867867.db2.gz CQYIGYPTXPRACR-UHFFFAOYSA-N 1 2 402.141 3.082 40 0 HGABLO O=C(c1ncoc1-c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019336500 558870053 /nfs/dbraw/zinc/87/00/53/558870053.db2.gz CRDLVGHRBUKQAD-UHFFFAOYSA-N 1 2 409.417 3.167 40 0 HGABLO Cc1ccc(C)c(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000019366004 558876885 /nfs/dbraw/zinc/87/68/85/558876885.db2.gz NJOYXILDEFCESZ-ZEQRLZLVSA-N 1 2 408.542 3.260 40 0 HGABLO C[C@H](NC(=O)C[NH+]1CCN([C@H](c2nccn2C)c2ccccc2)CC1)c1ccccc1 ZINC000019459467 558892986 /nfs/dbraw/zinc/89/29/86/558892986.db2.gz ZORJNFKYLPPABE-RDPSFJRHSA-N 1 2 417.557 3.005 40 0 HGABLO CCn1cc(S(=O)(=O)N2CCC(c3[nH+]c(C)n4c(C)c(C)sc34)CC2)c(C)n1 ZINC000019524627 558905769 /nfs/dbraw/zinc/90/57/69/558905769.db2.gz GUALYZGHOIWBPN-UHFFFAOYSA-N 1 2 421.592 3.414 40 0 HGABLO CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000019573770 558931664 /nfs/dbraw/zinc/93/16/64/558931664.db2.gz ZJIYHKMOPASEMD-UHFFFAOYSA-N 1 2 424.526 3.027 40 0 HGABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072370232 558956637 /nfs/dbraw/zinc/95/66/37/558956637.db2.gz GABOCQHRXUPJLV-GOSISDBHSA-N 1 2 406.511 3.460 40 0 HGABLO Cn1cc(C[N@H+]2CCO[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072370232 558956640 /nfs/dbraw/zinc/95/66/40/558956640.db2.gz GABOCQHRXUPJLV-GOSISDBHSA-N 1 2 406.511 3.460 40 0 HGABLO CCOCc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(NC)n3)C[N@H+](C)CC4)C2)cc1 ZINC000019710457 558972594 /nfs/dbraw/zinc/97/25/94/558972594.db2.gz CVPFABDTBRPGPT-IBGZPJMESA-N 1 2 423.561 3.063 40 0 HGABLO CCOCc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(NC)n3)C[N@@H+](C)CC4)C2)cc1 ZINC000019710457 558972596 /nfs/dbraw/zinc/97/25/96/558972596.db2.gz CVPFABDTBRPGPT-IBGZPJMESA-N 1 2 423.561 3.063 40 0 HGABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080562 559094924 /nfs/dbraw/zinc/09/49/24/559094924.db2.gz IFPJCIKFNYVVTI-IEBWSBKVSA-N 1 2 410.461 3.351 40 0 HGABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080562 559094926 /nfs/dbraw/zinc/09/49/26/559094926.db2.gz IFPJCIKFNYVVTI-IEBWSBKVSA-N 1 2 410.461 3.351 40 0 HGABLO CC[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2 ZINC000096144994 559096991 /nfs/dbraw/zinc/09/69/91/559096991.db2.gz PCAMWHICFIHPMT-UHFFFAOYSA-N 1 2 423.492 3.453 40 0 HGABLO CC[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2 ZINC000096144994 559096992 /nfs/dbraw/zinc/09/69/92/559096992.db2.gz PCAMWHICFIHPMT-UHFFFAOYSA-N 1 2 423.492 3.453 40 0 HGABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCCc1cccc(F)c1)N(Cc1cccnc1)CC2 ZINC000096147252 559098263 /nfs/dbraw/zinc/09/82/63/559098263.db2.gz APPCVDCXJMJZIH-HSZRJFAPSA-N 1 2 421.520 3.456 40 0 HGABLO Cc1noc(C)c1C[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1C(=O)N2C ZINC000514290002 560030611 /nfs/dbraw/zinc/03/06/11/560030611.db2.gz QVGFKVNDJLKYGX-IRLDBZIGSA-N 1 2 404.470 3.071 40 0 biogenic,in-vitro HGABLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1C(=O)N2C ZINC000514290002 560030613 /nfs/dbraw/zinc/03/06/13/560030613.db2.gz QVGFKVNDJLKYGX-IRLDBZIGSA-N 1 2 404.470 3.071 40 0 biogenic,in-vitro HGABLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1 ZINC000012471837 560780882 /nfs/dbraw/zinc/78/08/82/560780882.db2.gz UAHFYDHCIMBFCW-UHFFFAOYSA-N 1 2 412.486 3.246 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012712711 560786310 /nfs/dbraw/zinc/78/63/10/560786310.db2.gz NRXFMFVUBVTOIA-FOIQADDNSA-N 1 2 424.549 3.490 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012712711 560786311 /nfs/dbraw/zinc/78/63/11/560786311.db2.gz NRXFMFVUBVTOIA-FOIQADDNSA-N 1 2 424.549 3.490 40 0 HGABLO OC1CC[NH+]([C@@H](c2nnnn2CCc2ccccc2)c2ccc3ncccc3c2)CC1 ZINC000057675077 568493852 /nfs/dbraw/zinc/49/38/52/568493852.db2.gz INNHOOLWWLKXHE-HSZRJFAPSA-N 1 2 414.513 3.010 40 0 HGABLO CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670493 568494652 /nfs/dbraw/zinc/49/46/52/568494652.db2.gz SFCFQBZJMFLIJW-VQTJNVASSA-N 1 2 418.973 3.415 40 0 HGABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C[C@H]3CCCO3)CC2)c1 ZINC000057670507 568494716 /nfs/dbraw/zinc/49/47/16/568494716.db2.gz NEQLBBBDOZNFGI-IRLDBZIGSA-N 1 2 412.582 3.378 40 0 HGABLO CCOc1cc2c(cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1)O[C@@H](C)C2 ZINC000022931507 568500791 /nfs/dbraw/zinc/50/07/91/568500791.db2.gz VNJGADMVANRBNI-IBGZPJMESA-N 1 2 411.546 3.138 40 0 HGABLO CCOc1cc2c(cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1)O[C@@H](C)C2 ZINC000022931507 568500793 /nfs/dbraw/zinc/50/07/93/568500793.db2.gz VNJGADMVANRBNI-IBGZPJMESA-N 1 2 411.546 3.138 40 0 HGABLO CCOc1cc2c(cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1)O[C@@H](C)C2 ZINC000022931507 568500795 /nfs/dbraw/zinc/50/07/95/568500795.db2.gz VNJGADMVANRBNI-IBGZPJMESA-N 1 2 411.546 3.138 40 0 HGABLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1N1CCCCS1(=O)=O ZINC000224397620 568580261 /nfs/dbraw/zinc/58/02/61/568580261.db2.gz RROQJDFEZGXJGB-UHFFFAOYSA-N 1 2 424.526 3.041 40 0 HGABLO COc1ccc([C@@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OC ZINC000095533851 568635428 /nfs/dbraw/zinc/63/54/28/568635428.db2.gz BUWSWNIQVOQOQF-OAHLLOKOSA-N 1 2 405.252 3.005 40 0 HGABLO Cc1cc(N2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)nc(C)[nH+]1 ZINC000257221836 568782555 /nfs/dbraw/zinc/78/25/55/568782555.db2.gz DQSLUGCATHKXPX-FQEVSTJZSA-N 1 2 415.444 3.294 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@]12CCCO2 ZINC000257226665 568783888 /nfs/dbraw/zinc/78/38/88/568783888.db2.gz FLPXQMMSBXEOTM-DYESRHJHSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@]12CCCO2 ZINC000257226665 568783891 /nfs/dbraw/zinc/78/38/91/568783891.db2.gz FLPXQMMSBXEOTM-DYESRHJHSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@@]12CCCO2 ZINC000257226668 568783992 /nfs/dbraw/zinc/78/39/92/568783992.db2.gz FLPXQMMSBXEOTM-UWJYYQICSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@@]12CCCO2 ZINC000257226668 568783994 /nfs/dbraw/zinc/78/39/94/568783994.db2.gz FLPXQMMSBXEOTM-UWJYYQICSA-N 1 2 401.532 3.327 40 0 HGABLO COCCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257227280 568784189 /nfs/dbraw/zinc/78/41/89/568784189.db2.gz FOMCOVQBFYQTSH-QFIPXVFZSA-N 1 2 421.501 3.214 40 0 HGABLO COCCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257227280 568784190 /nfs/dbraw/zinc/78/41/90/568784190.db2.gz FOMCOVQBFYQTSH-QFIPXVFZSA-N 1 2 421.501 3.214 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)C[C@@]12CCCO2 ZINC000257230192 568784874 /nfs/dbraw/zinc/78/48/74/568784874.db2.gz GBGANOVHMJIOLU-UWJYYQICSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)C[C@@]12CCCO2 ZINC000257230192 568784876 /nfs/dbraw/zinc/78/48/76/568784876.db2.gz GBGANOVHMJIOLU-UWJYYQICSA-N 1 2 401.532 3.327 40 0 HGABLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@@H](c4ncncc4-c4ccnc(N)c4)C3)ccc2O1 ZINC000257234028 568785888 /nfs/dbraw/zinc/78/58/88/568785888.db2.gz GRUPGLJLNSAURR-OAQYLSRUSA-N 1 2 417.513 3.408 40 0 HGABLO CC1(C)Cc2cc(C[N@H+]3CCO[C@@H](c4ncncc4-c4ccnc(N)c4)C3)ccc2O1 ZINC000257234028 568785890 /nfs/dbraw/zinc/78/58/90/568785890.db2.gz GRUPGLJLNSAURR-OAQYLSRUSA-N 1 2 417.513 3.408 40 0 HGABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C ZINC000257235125 568786061 /nfs/dbraw/zinc/78/60/61/568786061.db2.gz GWOHBQLEFTYOCW-MRXNPFEDSA-N 1 2 401.474 3.082 40 0 HGABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n1C ZINC000257239504 568787372 /nfs/dbraw/zinc/78/73/72/568787372.db2.gz HPPKBKJVIZHBTP-UHFFFAOYSA-N 1 2 401.474 3.082 40 0 HGABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)CCC2 ZINC000257241745 568787863 /nfs/dbraw/zinc/78/78/63/568787863.db2.gz HZLLFWIVZRIXKZ-QHCPKHFHSA-N 1 2 417.513 3.192 40 0 HGABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)CCC2 ZINC000257241745 568787865 /nfs/dbraw/zinc/78/78/65/568787865.db2.gz HZLLFWIVZRIXKZ-QHCPKHFHSA-N 1 2 417.513 3.192 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@]12CCCO2 ZINC000257286303 568800528 /nfs/dbraw/zinc/80/05/28/568800528.db2.gz PLBUIMHNPQUYSB-YLJYHZDGSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@]12CCCO2 ZINC000257286303 568800529 /nfs/dbraw/zinc/80/05/29/568800529.db2.gz PLBUIMHNPQUYSB-YLJYHZDGSA-N 1 2 405.495 3.158 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3cccc(-c4cncnc4)n3)C1)CO2 ZINC000257315146 568808770 /nfs/dbraw/zinc/80/87/70/568808770.db2.gz VABNIUBKFIMTMH-XMMPIXPASA-N 1 2 416.481 3.397 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3cccc(-c4cncnc4)n3)C1)CO2 ZINC000257315146 568808772 /nfs/dbraw/zinc/80/87/72/568808772.db2.gz VABNIUBKFIMTMH-XMMPIXPASA-N 1 2 416.481 3.397 40 0 HGABLO CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4nncs4)cc(C)[nH+]3)C2)o1 ZINC000257318551 568809756 /nfs/dbraw/zinc/80/97/56/568809756.db2.gz VOJRKZGCQYTHRP-OAHLLOKOSA-N 1 2 414.491 3.058 40 0 HGABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@]12CCCO2 ZINC000257329625 568813033 /nfs/dbraw/zinc/81/30/33/568813033.db2.gz XKTLYFYXNQXFBZ-NQIIRXRSSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@]12CCCO2 ZINC000257329625 568813035 /nfs/dbraw/zinc/81/30/35/568813035.db2.gz XKTLYFYXNQXFBZ-NQIIRXRSSA-N 1 2 419.522 3.081 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cccc(O)c1 ZINC000261363525 568819498 /nfs/dbraw/zinc/81/94/98/568819498.db2.gz HIZCWENTWGSREA-HNNXBMFYSA-O 1 2 418.296 3.299 40 0 HGABLO CC(C)CC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000306129269 568891943 /nfs/dbraw/zinc/89/19/43/568891943.db2.gz HZCUCEYLVHKSJJ-GBXCKJPGSA-N 1 2 423.561 3.250 40 0 HGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306131180 568893310 /nfs/dbraw/zinc/89/33/10/568893310.db2.gz JYFAAZOPCFRDAU-RBBKRZOGSA-N 1 2 408.527 3.281 40 0 HGABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306131180 568893313 /nfs/dbraw/zinc/89/33/13/568893313.db2.gz JYFAAZOPCFRDAU-RBBKRZOGSA-N 1 2 408.527 3.281 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccccc4Cl)C[C@@H]2S3(=O)=O)cn1 ZINC000306131741 568894053 /nfs/dbraw/zinc/89/40/53/568894053.db2.gz KOMYDWULVMSYKN-NQIIRXRSSA-N 1 2 413.930 3.496 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccccc4Cl)C[C@@H]2S3(=O)=O)cn1 ZINC000306131741 568894055 /nfs/dbraw/zinc/89/40/55/568894055.db2.gz KOMYDWULVMSYKN-NQIIRXRSSA-N 1 2 413.930 3.496 40 0 HGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306134784 568896656 /nfs/dbraw/zinc/89/66/56/568896656.db2.gz NYELOIWEQSIPDP-GBXCKJPGSA-N 1 2 424.520 3.471 40 0 HGABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306136226 568897877 /nfs/dbraw/zinc/89/78/77/568897877.db2.gz PNNBQELDCGKANH-CVDCTZTESA-N 1 2 420.490 3.233 40 0 HGABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306136226 568897879 /nfs/dbraw/zinc/89/78/79/568897879.db2.gz PNNBQELDCGKANH-CVDCTZTESA-N 1 2 420.490 3.233 40 0 HGABLO O=C(C1CCOCC1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306142300 568904051 /nfs/dbraw/zinc/90/40/51/568904051.db2.gz WVQIYSBPJCFTIC-QFIPXVFZSA-N 1 2 402.498 3.227 40 0 HGABLO Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)n1 ZINC000306142564 568904233 /nfs/dbraw/zinc/90/42/33/568904233.db2.gz XDIUEFNZKNEEFT-CTNGQTDRSA-N 1 2 409.486 3.346 40 0 HGABLO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)n1 ZINC000306142564 568904235 /nfs/dbraw/zinc/90/42/35/568904235.db2.gz XDIUEFNZKNEEFT-CTNGQTDRSA-N 1 2 409.486 3.346 40 0 HGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000101345989 568917036 /nfs/dbraw/zinc/91/70/36/568917036.db2.gz IWNOZIKSIZMADR-CZYKHXBRSA-N 1 2 402.494 3.447 40 0 HGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000101345989 568917037 /nfs/dbraw/zinc/91/70/37/568917037.db2.gz IWNOZIKSIZMADR-CZYKHXBRSA-N 1 2 402.494 3.447 40 0 HGABLO CNc1nc(Nc2ccc(I)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329041268 568974378 /nfs/dbraw/zinc/97/43/78/568974378.db2.gz SHLUCUKWWVEWGT-UHFFFAOYSA-N 1 2 400.651 3.241 40 0 HGABLO OCCCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329057276 568974839 /nfs/dbraw/zinc/97/48/39/568974839.db2.gz VXCRFBFYANIMMV-UHFFFAOYSA-N 1 2 404.392 3.424 40 0 HGABLO O=S1(=O)C[C@H](O)[C@@H]([N@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575423366 569026383 /nfs/dbraw/zinc/02/63/83/569026383.db2.gz ZYFOLGCUEUKEHV-GOTSBHOMSA-N 1 2 407.535 3.436 40 0 HGABLO O=S1(=O)C[C@H](O)[C@@H]([N@@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575423366 569026384 /nfs/dbraw/zinc/02/63/84/569026384.db2.gz ZYFOLGCUEUKEHV-GOTSBHOMSA-N 1 2 407.535 3.436 40 0 HGABLO CC(C)(C)c1ccccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000008558679 569341741 /nfs/dbraw/zinc/34/17/41/569341741.db2.gz AOWWRXRJAKAWIO-UHFFFAOYSA-N 1 2 410.514 3.436 40 0 HGABLO [NH3+][C@@H](C(=O)NCC1CCC(c2ccnc(Nc3ncccn3)n2)CC1)c1ccccc1 ZINC000072380013 569352502 /nfs/dbraw/zinc/35/25/02/569352502.db2.gz NMJOVTIISUQYDJ-LBXVMSDZSA-N 1 2 417.517 3.100 40 0 HGABLO O=C(NCCCc1[nH]cc[nH+]1)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211521815 569356103 /nfs/dbraw/zinc/35/61/03/569356103.db2.gz PANWXZKXHCRDFZ-RCCKNPSSSA-N 1 2 413.481 3.411 40 0 HGABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015707201 291234451 /nfs/dbraw/zinc/23/44/51/291234451.db2.gz RFEUPSLTYHVPBP-KRWDZBQOSA-N 1 2 424.461 3.424 40 0 biogenic,in-vitro HGABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015707201 291234453 /nfs/dbraw/zinc/23/44/53/291234453.db2.gz RFEUPSLTYHVPBP-KRWDZBQOSA-N 1 2 424.461 3.424 40 0 biogenic,in-vitro HGABLO C[C@H](O)c1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)onc1-c1ccc(F)cc1 ZINC000225434344 291241382 /nfs/dbraw/zinc/24/13/82/291241382.db2.gz HNWOPHPRDAAWAR-INIZCTEOSA-N 1 2 409.461 3.492 40 0 biogenic,in-vitro HGABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 ZINC000067898722 291242356 /nfs/dbraw/zinc/24/23/56/291242356.db2.gz FNPQKFFEKWWGNE-INIZCTEOSA-N 1 2 407.396 3.282 40 0 biogenic,in-vitro HGABLO CCOc1ccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000044945832 520947603 /nfs/dbraw/zinc/94/76/03/520947603.db2.gz FAQMLIOLPHOYIK-UHFFFAOYSA-N 1 2 412.530 3.289 40 0 HGABLO COc1ccccc1NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O ZINC000000920445 557118897 /nfs/dbraw/zinc/11/88/97/557118897.db2.gz WZUWBVRKNROCSV-UHFFFAOYSA-N 1 2 406.486 3.030 40 0 HGABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCC[C@H](c2ccccc2)C1 ZINC000012145789 558337138 /nfs/dbraw/zinc/33/71/38/558337138.db2.gz HOYUUIKZMYMSLI-FQEVSTJZSA-N 1 2 419.525 3.007 40 0 HGABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)C3)cc2n1 ZINC000012221288 558355975 /nfs/dbraw/zinc/35/59/75/558355975.db2.gz PQPLOBCSEIXAMN-KBPBESRZSA-N 1 2 420.439 3.474 40 0 HGABLO CCNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020801931 558415572 /nfs/dbraw/zinc/41/55/72/558415572.db2.gz CAAXELIIGWLSSK-MRXNPFEDSA-N 1 2 418.501 3.136 40 0 HGABLO COc1cccc(-c2cc(C(=O)N[C@@H](c3[nH+]ccn3C)c3cccc(OC)c3)[nH]n2)c1 ZINC000019291229 558863532 /nfs/dbraw/zinc/86/35/32/558863532.db2.gz FEWRSDBCGLLQOB-OAQYLSRUSA-N 1 2 417.469 3.347 40 0 HGABLO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019402032 558883776 /nfs/dbraw/zinc/88/37/76/558883776.db2.gz WWINTBHUAPYVQH-IBGZPJMESA-N 1 2 408.550 3.022 40 0 HGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448125 558886964 /nfs/dbraw/zinc/88/69/64/558886964.db2.gz COFFOGMIMXFEFD-SFHVURJKSA-N 1 2 423.561 3.264 40 0 HGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448125 558886967 /nfs/dbraw/zinc/88/69/67/558886967.db2.gz COFFOGMIMXFEFD-SFHVURJKSA-N 1 2 423.561 3.264 40 0 HGABLO COc1ccc(C2=NO[C@](C)(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)C2)cc1 ZINC000019460851 558893586 /nfs/dbraw/zinc/89/35/86/558893586.db2.gz QCTPUKWTISZPHF-REWPJTCUSA-N 1 2 422.460 3.357 40 0 HGABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019501162 558899040 /nfs/dbraw/zinc/89/90/40/558899040.db2.gz XSNAKEZMHWVTEF-UHFFFAOYSA-N 1 2 411.550 3.242 40 0 HGABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019501162 558899043 /nfs/dbraw/zinc/89/90/43/558899043.db2.gz XSNAKEZMHWVTEF-UHFFFAOYSA-N 1 2 411.550 3.242 40 0 HGABLO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)c1C ZINC000019520984 558902215 /nfs/dbraw/zinc/90/22/15/558902215.db2.gz YGRIDPSIWFQCBT-UHFFFAOYSA-N 1 2 424.524 3.215 40 0 HGABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019578124 558933806 /nfs/dbraw/zinc/93/38/06/558933806.db2.gz QDJRATZGEHZLBA-QFIPXVFZSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019578124 558933808 /nfs/dbraw/zinc/93/38/08/558933808.db2.gz QDJRATZGEHZLBA-QFIPXVFZSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2ccncc2)C1 ZINC000019578127 558933909 /nfs/dbraw/zinc/93/39/09/558933909.db2.gz DFFPODKHKALWOY-JOCHJYFZSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2ccncc2)C1 ZINC000019578127 558933910 /nfs/dbraw/zinc/93/39/10/558933910.db2.gz DFFPODKHKALWOY-JOCHJYFZSA-N 1 2 417.557 3.488 40 0 HGABLO CC(C)n1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCOCC4)nc3C2)c2ccccc21 ZINC000072335521 558936632 /nfs/dbraw/zinc/93/66/32/558936632.db2.gz QGWPDCQEWJKXLP-UHFFFAOYSA-N 1 2 407.518 3.113 40 0 HGABLO CC(C)n1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCOCC4)nc3C2)c2ccccc21 ZINC000072335521 558936635 /nfs/dbraw/zinc/93/66/35/558936635.db2.gz QGWPDCQEWJKXLP-UHFFFAOYSA-N 1 2 407.518 3.113 40 0 HGABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Nc3ncccn3)cn2)cc1 ZINC000072353001 558949309 /nfs/dbraw/zinc/94/93/09/558949309.db2.gz ASDPGRRCJOKZOJ-FQEVSTJZSA-N 1 2 404.474 3.399 40 0 HGABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Nc3ncccn3)cn2)cc1 ZINC000072353001 558949312 /nfs/dbraw/zinc/94/93/12/558949312.db2.gz ASDPGRRCJOKZOJ-FQEVSTJZSA-N 1 2 404.474 3.399 40 0 HGABLO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1 ZINC000072374532 558962150 /nfs/dbraw/zinc/96/21/50/558962150.db2.gz HXJAPFAJLOSKKP-HXUWFJFHSA-N 1 2 404.518 3.329 40 0 HGABLO Cc1ccc(OCC[NH+]2CCOCC2)c(NC(=O)c2cn3cc(Cl)ccc3n2)c1 ZINC000019716765 558978882 /nfs/dbraw/zinc/97/88/82/558978882.db2.gz ZXOICWOLGNQCNF-UHFFFAOYSA-N 1 2 414.893 3.259 40 0 HGABLO CCc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251250 559105329 /nfs/dbraw/zinc/10/53/29/559105329.db2.gz YDJKIXUHEJVBPX-OFVILXPXSA-N 1 2 420.557 3.091 40 0 HGABLO Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ncn2)n1 ZINC000585291272 559123715 /nfs/dbraw/zinc/12/37/15/559123715.db2.gz MQVPZNFKVPCVTG-IWAYRVGRSA-N 1 2 403.490 3.141 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH+]c(N3CCOCC3)c(C)c2)cc1 ZINC000072219378 559169761 /nfs/dbraw/zinc/16/97/61/559169761.db2.gz CKHBKFOGTJXAPT-OAQYLSRUSA-N 1 2 415.559 3.451 40 0 HGABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000000889009 560542283 /nfs/dbraw/zinc/54/22/83/560542283.db2.gz KKOWKMXWVIYQAT-NRFANRHFSA-N 1 2 400.486 3.057 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C(C)=O)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000095482914 560558298 /nfs/dbraw/zinc/55/82/98/560558298.db2.gz ULBVRRNILONBHC-XSDIEEQYSA-N 1 2 422.868 3.453 40 0 HGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C(C)=O)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000095482914 560558299 /nfs/dbraw/zinc/55/82/99/560558299.db2.gz ULBVRRNILONBHC-XSDIEEQYSA-N 1 2 422.868 3.453 40 0 HGABLO COc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000004909108 560618007 /nfs/dbraw/zinc/61/80/07/560618007.db2.gz YWGAUHIZIJPASW-UHFFFAOYSA-N 1 2 401.894 3.182 40 0 HGABLO COc1ccccc1N1CC[NH+]([C@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 ZINC000057670661 568494922 /nfs/dbraw/zinc/49/49/22/568494922.db2.gz KHLCQOWCXDVUOV-QFIPXVFZSA-N 1 2 406.534 3.249 40 0 HGABLO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1 ZINC000095533706 568635255 /nfs/dbraw/zinc/63/52/55/568635255.db2.gz BWSLLLHWEDZYPJ-AWEZNQCLSA-N 1 2 406.227 3.133 40 0 HGABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000096299530 568721718 /nfs/dbraw/zinc/72/17/18/568721718.db2.gz DLOHUQLFLSYEHQ-OALUTQOASA-N 1 2 404.946 3.169 40 0 HGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)C(C)(C)NC(=O)Cc2ccc(F)cc2)cc[nH+]1 ZINC000257285802 568800212 /nfs/dbraw/zinc/80/02/12/568800212.db2.gz PIYINWVNAWXMTL-IBGZPJMESA-N 1 2 412.509 3.088 40 0 HGABLO Cn1cc(-c2cc[nH+]c(NCc3cccnc3)c2)c([C@H]2CCN(C(=O)C3CC3)C2)n1 ZINC000257286617 568800361 /nfs/dbraw/zinc/80/03/61/568800361.db2.gz PMFXOWNJOJZAME-IBGZPJMESA-N 1 2 402.502 3.215 40 0 HGABLO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2[N@@H+]1Cc1ccccc1 ZINC000306127450 568824903 /nfs/dbraw/zinc/82/49/03/568824903.db2.gz FYXQMVNJFPESRD-FDFHNCONSA-N 1 2 408.498 3.461 40 0 HGABLO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2[N@H+]1Cc1ccccc1 ZINC000306127450 568824905 /nfs/dbraw/zinc/82/49/05/568824905.db2.gz FYXQMVNJFPESRD-FDFHNCONSA-N 1 2 408.498 3.461 40 0 HGABLO O=C(c1ccco1)N1CCN(CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)[nH+]2)C1 ZINC000306127165 568890064 /nfs/dbraw/zinc/89/00/64/568890064.db2.gz FQFMFIQMAGDJSV-FQEVSTJZSA-N 1 2 419.529 3.437 40 0 HGABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccnc5)CCO4)nnn3c2)cc1 ZINC000306130777 568893055 /nfs/dbraw/zinc/89/30/55/568893055.db2.gz JPBXXMKKQKJBFM-QFIPXVFZSA-N 1 2 401.470 3.373 40 0 HGABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccnc5)CCO4)nnn3c2)cc1 ZINC000306130777 568893057 /nfs/dbraw/zinc/89/30/57/568893057.db2.gz JPBXXMKKQKJBFM-QFIPXVFZSA-N 1 2 401.470 3.373 40 0 HGABLO O=S(=O)(c1ccc(F)cc1)N1CCC[C@]2(C[N@H+](Cc3cccs3)CCO2)CC1 ZINC000306130859 568893199 /nfs/dbraw/zinc/89/31/99/568893199.db2.gz JRISUMZOPUEWMG-HXUWFJFHSA-N 1 2 424.563 3.333 40 0 HGABLO O=S(=O)(c1ccc(F)cc1)N1CCC[C@]2(C[N@@H+](Cc3cccs3)CCO2)CC1 ZINC000306130859 568893202 /nfs/dbraw/zinc/89/32/02/568893202.db2.gz JRISUMZOPUEWMG-HXUWFJFHSA-N 1 2 424.563 3.333 40 0 HGABLO Cc1ncsc1C[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccc(F)nc3)ccc1S2(=O)=O ZINC000306138304 568900155 /nfs/dbraw/zinc/90/01/55/568900155.db2.gz RURADFDVMUUQFP-APWZRJJASA-N 1 2 415.515 3.408 40 0 HGABLO Cc1ncsc1C[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccc(F)nc3)ccc1S2(=O)=O ZINC000306138304 568900157 /nfs/dbraw/zinc/90/01/57/568900157.db2.gz RURADFDVMUUQFP-APWZRJJASA-N 1 2 415.515 3.408 40 0 HGABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306139401 568901273 /nfs/dbraw/zinc/90/12/73/568901273.db2.gz SWNFSIKUCZLGQX-JOCHJYFZSA-N 1 2 401.470 3.373 40 0 HGABLO COc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306139401 568901274 /nfs/dbraw/zinc/90/12/74/568901274.db2.gz SWNFSIKUCZLGQX-JOCHJYFZSA-N 1 2 401.470 3.373 40 0 HGABLO Cc1nc(Cn2cc[nH+]c2[C@@H]2CN(C(=O)c3cnccn3)Cc3ccccc32)cs1 ZINC000306140365 568902164 /nfs/dbraw/zinc/90/21/64/568902164.db2.gz UREWXBRKBRXWPF-LJQANCHMSA-N 1 2 416.510 3.274 40 0 HGABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306140393 568902322 /nfs/dbraw/zinc/90/23/22/568902322.db2.gz USEGVXDPURBOES-RBBKRZOGSA-N 1 2 411.502 3.464 40 0 HGABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306140393 568902325 /nfs/dbraw/zinc/90/23/25/568902325.db2.gz USEGVXDPURBOES-RBBKRZOGSA-N 1 2 411.502 3.464 40 0 HGABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000306142948 568904424 /nfs/dbraw/zinc/90/44/24/568904424.db2.gz XOYKATRYPWDLOA-UHFFFAOYSA-N 1 2 419.504 3.090 40 0 HGABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000306142948 568904426 /nfs/dbraw/zinc/90/44/26/568904426.db2.gz XOYKATRYPWDLOA-UHFFFAOYSA-N 1 2 419.504 3.090 40 0 HGABLO Cc1ncsc1C[N@@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306143407 568904837 /nfs/dbraw/zinc/90/48/37/568904837.db2.gz YBRFTXFXZHVXIY-ICSRJNTNSA-N 1 2 405.589 3.386 40 0 HGABLO Cc1ncsc1C[N@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306143407 568904839 /nfs/dbraw/zinc/90/48/39/568904839.db2.gz YBRFTXFXZHVXIY-ICSRJNTNSA-N 1 2 405.589 3.386 40 0 HGABLO OCCCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328964973 568970095 /nfs/dbraw/zinc/97/00/95/568970095.db2.gz BZTMCJNVJSQERV-UHFFFAOYSA-N 1 2 417.282 3.427 40 0 HGABLO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000101501282 569013991 /nfs/dbraw/zinc/01/39/91/569013991.db2.gz DVOWLDXQGRUOSQ-HDICACEKSA-N 1 2 402.539 3.061 40 0 HGABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245230025 569313780 /nfs/dbraw/zinc/31/37/80/569313780.db2.gz KIGAHMOFTZZRJP-PWSZPPJVSA-N 1 2 406.482 3.075 40 0 HGABLO CSc1nc2sc(C(=O)NCCCn3cc[nH+]c3)cc2c(N2CCCC2)n1 ZINC000007342981 569337150 /nfs/dbraw/zinc/33/71/50/569337150.db2.gz UKQUPIOWQNVENO-UHFFFAOYSA-N 1 2 402.549 3.030 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C1)CO2 ZINC000019692467 569346139 /nfs/dbraw/zinc/34/61/39/569346139.db2.gz NBYQHRLHZIIQBM-QHCPKHFHSA-N 1 2 404.470 3.330 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C1)CO2 ZINC000019692467 569346140 /nfs/dbraw/zinc/34/61/40/569346140.db2.gz NBYQHRLHZIIQBM-QHCPKHFHSA-N 1 2 404.470 3.330 40 0 HGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[N@H+](C)C2 ZINC000036051108 569351732 /nfs/dbraw/zinc/35/17/32/569351732.db2.gz QUNROBMAYOKWAB-VMPITWQZSA-N 1 2 401.444 3.083 40 0 HGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[N@@H+](C)C2 ZINC000036051108 569351733 /nfs/dbraw/zinc/35/17/33/569351733.db2.gz QUNROBMAYOKWAB-VMPITWQZSA-N 1 2 401.444 3.083 40 0 HGABLO CCOc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1C ZINC000261365640 569413729 /nfs/dbraw/zinc/41/37/29/569413729.db2.gz UJMBCNRHYCUAHO-OAQYLSRUSA-O 1 2 423.518 3.479 40 0 HGABLO Cc1csc(NS(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000016740492 571309595 /nfs/dbraw/zinc/30/95/95/571309595.db2.gz OQKLHDQURBUDQY-UHFFFAOYSA-N 1 2 408.549 3.067 40 0 HGABLO COc1ccc(Cl)cc1Nc1nc(NCc2ccco2)[nH+]c(N2CCOCC2)n1 ZINC000000910007 524247139 /nfs/dbraw/zinc/24/71/39/524247139.db2.gz HQOROHMIPWWMMU-UHFFFAOYSA-N 1 2 416.869 3.319 40 0 HGABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)c(C)c1 ZINC000408546116 557380965 /nfs/dbraw/zinc/38/09/65/557380965.db2.gz CIJSCEOECOURCR-UHFFFAOYSA-N 1 2 421.950 3.145 40 0 HGABLO COc1cccc(C(=S)NCC[NH+]2CCOCC2)c1OCc1ccc(F)cc1 ZINC000408571921 557469177 /nfs/dbraw/zinc/46/91/77/557469177.db2.gz DHPOAJHLNRLUFB-UHFFFAOYSA-N 1 2 404.507 3.011 40 0 HGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035349292 557528674 /nfs/dbraw/zinc/52/86/74/557528674.db2.gz CEAHITVAIUOWIK-ZRNYENFQSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035349292 557528676 /nfs/dbraw/zinc/52/86/76/557528676.db2.gz CEAHITVAIUOWIK-ZRNYENFQSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)[nH+]1 ZINC000019758883 558275395 /nfs/dbraw/zinc/27/53/95/558275395.db2.gz NBJBKFNFXOKOCF-UHFFFAOYSA-N 1 2 422.455 3.222 40 0 HGABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)CC2)[nH+]1 ZINC000019758883 558275398 /nfs/dbraw/zinc/27/53/98/558275398.db2.gz NBJBKFNFXOKOCF-UHFFFAOYSA-N 1 2 422.455 3.222 40 0 HGABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 ZINC000019974112 558317376 /nfs/dbraw/zinc/31/73/76/558317376.db2.gz WNHNUTVWJFRYCT-LBPRGKRZSA-N 1 2 421.288 3.030 40 0 HGABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)C3)cc2n1 ZINC000012221287 558355931 /nfs/dbraw/zinc/35/59/31/558355931.db2.gz PQPLOBCSEIXAMN-UONOGXRCSA-N 1 2 420.439 3.474 40 0 HGABLO Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000020635692 558395583 /nfs/dbraw/zinc/39/55/83/558395583.db2.gz AYJSEEPUXCGEBR-GFCCVEGCSA-N 1 2 414.897 3.075 40 0 HGABLO OCCOCCOCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022588438 558500129 /nfs/dbraw/zinc/50/01/29/558500129.db2.gz VUFOCTSXHUWGPW-QHCPKHFHSA-N 1 2 418.965 3.073 40 0 in-man HGABLO COc1ccc([C@H](CN(C)C(=O)C2(c3ccccc3F)CC2)[NH+]2CCOCC2)cc1 ZINC000036741372 558802295 /nfs/dbraw/zinc/80/22/95/558802295.db2.gz WUNPQLHFBCSTIL-QFIPXVFZSA-N 1 2 412.505 3.398 40 0 HGABLO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019079083 558838859 /nfs/dbraw/zinc/83/88/59/558838859.db2.gz ROXDDMLFTRKKQE-XMSQKQJNSA-N 1 2 422.504 3.260 40 0 HGABLO Cc1nn(C)cc1-c1cc(C(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)on1 ZINC000019118966 558842615 /nfs/dbraw/zinc/84/26/15/558842615.db2.gz SVTASLBKXVMWQQ-UHFFFAOYSA-N 1 2 416.485 3.203 40 0 HGABLO Cc1cc2[nH+]cn(CCC(=O)Nc3ccc4c(c3)CCN4S(C)(=O)=O)c2cc1C ZINC000019125240 558844334 /nfs/dbraw/zinc/84/43/34/558844334.db2.gz QDVBKVMJZMKFDI-UHFFFAOYSA-N 1 2 412.515 3.004 40 0 HGABLO COc1cccc([C@H](NC(=O)c2cc3ccc(N(C)C)cc3[nH]2)c2[nH+]ccn2C)c1 ZINC000019291241 558863559 /nfs/dbraw/zinc/86/35/59/558863559.db2.gz IYJVBFUFHBDHAX-NRFANRHFSA-N 1 2 403.486 3.495 40 0 HGABLO CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC000054363504 558868026 /nfs/dbraw/zinc/86/80/26/558868026.db2.gz GFZJISFOUXBSME-UHFFFAOYSA-N 1 2 402.141 3.082 40 0 HGABLO C[C@H]1C[N@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000057796541 558890469 /nfs/dbraw/zinc/89/04/69/558890469.db2.gz KTSUUGLZKJOLKJ-GJZGRUSLSA-N 1 2 409.442 3.398 40 0 HGABLO C[C@H]1C[N@@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000057796541 558890470 /nfs/dbraw/zinc/89/04/70/558890470.db2.gz KTSUUGLZKJOLKJ-GJZGRUSLSA-N 1 2 409.442 3.398 40 0 HGABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1OC ZINC000019453687 558890942 /nfs/dbraw/zinc/89/09/42/558890942.db2.gz VQTSQMAXTRBVDJ-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1OC ZINC000019453687 558890944 /nfs/dbraw/zinc/89/09/44/558890944.db2.gz VQTSQMAXTRBVDJ-UHFFFAOYSA-N 1 2 412.534 3.012 40 0 HGABLO COc1ccc(C2=NO[C@](C)(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)C2)cc1 ZINC000019460855 558893511 /nfs/dbraw/zinc/89/35/11/558893511.db2.gz QCTPUKWTISZPHF-OFNKIYASSA-N 1 2 422.460 3.357 40 0 HGABLO Cc1sc2nc(C)nc(NCCC(=O)N3CC[NH+](Cc4ccccn4)CC3)c2c1C ZINC000019561608 558922384 /nfs/dbraw/zinc/92/23/84/558922384.db2.gz BZIQBDNOBFQOFR-UHFFFAOYSA-N 1 2 424.574 3.158 40 0 HGABLO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1 ZINC000019565144 558925264 /nfs/dbraw/zinc/92/52/64/558925264.db2.gz KSDYUHRDWJSARU-LJQANCHMSA-N 1 2 406.486 3.388 40 0 HGABLO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1 ZINC000019565144 558925266 /nfs/dbraw/zinc/92/52/66/558925266.db2.gz KSDYUHRDWJSARU-LJQANCHMSA-N 1 2 406.486 3.388 40 0 HGABLO Cc1ccc2occ(C[N@H+]3CCc4c(nc(N5CCCC[C@@H]5C)[nH]c4=O)C3)c(=O)c2c1 ZINC000072335600 558936571 /nfs/dbraw/zinc/93/65/71/558936571.db2.gz BLEPUDJPLSAOGB-INIZCTEOSA-N 1 2 420.513 3.122 40 0 HGABLO Cc1ccc2occ(C[N@@H+]3CCc4c(nc(N5CCCC[C@@H]5C)[nH]c4=O)C3)c(=O)c2c1 ZINC000072335600 558936574 /nfs/dbraw/zinc/93/65/74/558936574.db2.gz BLEPUDJPLSAOGB-INIZCTEOSA-N 1 2 420.513 3.122 40 0 HGABLO CCn1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)c2cc(OC)ccc21 ZINC000072336810 558937355 /nfs/dbraw/zinc/93/73/55/558937355.db2.gz QHLNCRNQJYXYKS-UHFFFAOYSA-N 1 2 415.497 3.373 40 0 HGABLO CCn1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)c2cc(OC)ccc21 ZINC000072336810 558937358 /nfs/dbraw/zinc/93/73/58/558937358.db2.gz QHLNCRNQJYXYKS-UHFFFAOYSA-N 1 2 415.497 3.373 40 0 HGABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000072355417 558952761 /nfs/dbraw/zinc/95/27/61/558952761.db2.gz VHMGGLDYMUADRH-UHFFFAOYSA-N 1 2 409.465 3.149 40 0 HGABLO COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000019664122 558954811 /nfs/dbraw/zinc/95/48/11/558954811.db2.gz WPNOUWUTQMDMAI-HSZRJFAPSA-N 1 2 408.477 3.164 40 0 HGABLO COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000019664122 558954814 /nfs/dbraw/zinc/95/48/14/558954814.db2.gz WPNOUWUTQMDMAI-HSZRJFAPSA-N 1 2 408.477 3.164 40 0 HGABLO Cc1cc(Nc2cc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)nc(C)n2)n[nH]1 ZINC000072361477 558955959 /nfs/dbraw/zinc/95/59/59/558955959.db2.gz IRKAKGOJVBIROL-SFHVURJKSA-N 1 2 409.469 3.475 40 0 HGABLO Cc1cc(Nc2cc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)nc(C)n2)n[nH]1 ZINC000072361477 558955961 /nfs/dbraw/zinc/95/59/61/558955961.db2.gz IRKAKGOJVBIROL-SFHVURJKSA-N 1 2 409.469 3.475 40 0 HGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1ccc(C)cc1OC)C2 ZINC000019707444 558969889 /nfs/dbraw/zinc/96/98/89/558969889.db2.gz FVLQMPRVSAWQOY-HXUWFJFHSA-N 1 2 409.534 3.077 40 0 HGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1ccc(C)cc1OC)C2 ZINC000019707444 558969890 /nfs/dbraw/zinc/96/98/90/558969890.db2.gz FVLQMPRVSAWQOY-HXUWFJFHSA-N 1 2 409.534 3.077 40 0 HGABLO Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000072389651 558970172 /nfs/dbraw/zinc/97/01/72/558970172.db2.gz QTAGOOIJPOLLRO-NRFANRHFSA-N 1 2 416.447 3.241 40 0 HGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)nc2c1C[N@H+](C)CC2 ZINC000019710423 558972292 /nfs/dbraw/zinc/97/22/92/558972292.db2.gz HYWYPCJDAGLSIO-NRFANRHFSA-N 1 2 423.561 3.201 40 0 HGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019710423 558972294 /nfs/dbraw/zinc/97/22/94/558972294.db2.gz HYWYPCJDAGLSIO-NRFANRHFSA-N 1 2 423.561 3.201 40 0 HGABLO COCCNC(=O)c1cc(-c2cn(Cc3csc(C)n3)c(C)[nH+]2)n2ccccc12 ZINC000096154961 559099269 /nfs/dbraw/zinc/09/92/69/559099269.db2.gz PRVKKSAYELKRLW-UHFFFAOYSA-N 1 2 409.515 3.301 40 0 HGABLO Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)n1 ZINC000585290775 559123439 /nfs/dbraw/zinc/12/34/39/559123439.db2.gz FIERXLRSXJDQAG-DKRLNXSXSA-N 1 2 418.505 3.078 40 0 HGABLO Cn1cc[nH+]c1CN1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514290193 560030340 /nfs/dbraw/zinc/03/03/40/560030340.db2.gz VATMPWZGCCXIGQ-CTNGQTDRSA-N 1 2 424.451 3.083 40 0 biogenic,in-vitro HGABLO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]c3ccc(N4CCOCC4)cc3)cc12 ZINC000008578938 560637451 /nfs/dbraw/zinc/63/74/51/560637451.db2.gz WTILLXNBZYCXMS-UHFFFAOYSA-N 1 2 415.497 3.471 40 0 HGABLO C=C1[NH+]=C(SCC(N)=O)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408991606 560662304 /nfs/dbraw/zinc/66/23/04/560662304.db2.gz QRZVTVHVFIJLDF-AWEZNQCLSA-N 1 2 402.303 3.049 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012712427 560786294 /nfs/dbraw/zinc/78/62/94/560786294.db2.gz GEZQCTLFWVYDGB-FOIQADDNSA-N 1 2 424.549 3.490 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012712427 560786295 /nfs/dbraw/zinc/78/62/95/560786295.db2.gz GEZQCTLFWVYDGB-FOIQADDNSA-N 1 2 424.549 3.490 40 0 HGABLO CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000005321578 568443109 /nfs/dbraw/zinc/44/31/09/568443109.db2.gz ONUBWOOSJJPPIG-MBDNFAEBSA-N 1 2 402.494 3.393 40 0 HGABLO CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000005321578 568443112 /nfs/dbraw/zinc/44/31/12/568443112.db2.gz ONUBWOOSJJPPIG-MBDNFAEBSA-N 1 2 402.494 3.393 40 0 HGABLO O=C(c1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]12 ZINC000005338796 568443282 /nfs/dbraw/zinc/44/32/82/568443282.db2.gz IPYORVPWOXDUSZ-NCXUSEDFSA-N 1 2 412.848 3.314 40 0 HGABLO O=C(c1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]12 ZINC000005338796 568443283 /nfs/dbraw/zinc/44/32/83/568443283.db2.gz IPYORVPWOXDUSZ-NCXUSEDFSA-N 1 2 412.848 3.314 40 0 HGABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CC[NH+]1CCOCC1 ZINC000223125881 568538633 /nfs/dbraw/zinc/53/86/33/568538633.db2.gz FYWZDWDQTWFZCR-SJORKVTESA-N 1 2 408.980 3.101 40 0 HGABLO CCOc1cc([C@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)ccc1OC ZINC000095534422 568635755 /nfs/dbraw/zinc/63/57/55/568635755.db2.gz LEAMCMLSQLKFQQ-INIZCTEOSA-N 1 2 419.279 3.395 40 0 HGABLO CCOc1ccc([C@H]([NH3+])c2n[nH]c(CCNc3cccc(OC)c3)n2)cc1OCC ZINC000095534552 568635856 /nfs/dbraw/zinc/63/58/56/568635856.db2.gz DFBFGFIDTSQIPX-NRFANRHFSA-N 1 2 411.506 3.313 40 0 HGABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000225561143 568651223 /nfs/dbraw/zinc/65/12/23/568651223.db2.gz LBYZSZCKYGATBI-UHFFFAOYSA-N 1 2 410.514 3.085 40 0 HGABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000096299531 568721569 /nfs/dbraw/zinc/72/15/69/568721569.db2.gz DLOHUQLFLSYEHQ-RBUKOAKNSA-N 1 2 404.946 3.169 40 0 HGABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000257221093 568782261 /nfs/dbraw/zinc/78/22/61/568782261.db2.gz DNKYLFSXUXPPMZ-DEOSSOPVSA-N 1 2 402.498 3.293 40 0 HGABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000257221093 568782262 /nfs/dbraw/zinc/78/22/62/568782262.db2.gz DNKYLFSXUXPPMZ-DEOSSOPVSA-N 1 2 402.498 3.293 40 0 HGABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4ccccn4)CCO3)c2)n1 ZINC000257237579 568786959 /nfs/dbraw/zinc/78/69/59/568786959.db2.gz HHCSGNCILAHMDN-HXUWFJFHSA-N 1 2 404.474 3.149 40 0 HGABLO COc1ccc(C2(C(=O)N3CC[N@H+](C)[C@H](c4ccccc4OC)C3)CCOCC2)cc1 ZINC000257298011 568804026 /nfs/dbraw/zinc/80/40/26/568804026.db2.gz RJSVVXDDMVOKIC-QFIPXVFZSA-N 1 2 424.541 3.267 40 0 HGABLO COc1ccc(C2(C(=O)N3CC[N@@H+](C)[C@H](c4ccccc4OC)C3)CCOCC2)cc1 ZINC000257298011 568804027 /nfs/dbraw/zinc/80/40/27/568804027.db2.gz RJSVVXDDMVOKIC-QFIPXVFZSA-N 1 2 424.541 3.267 40 0 HGABLO CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257301119 568804578 /nfs/dbraw/zinc/80/45/78/568804578.db2.gz RXBQZAFSUAWZRV-KRWDZBQOSA-N 1 2 424.936 3.466 40 0 HGABLO Cn1c[nH+]cc1-c1cc(CC2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)ccn1 ZINC000257303054 568805273 /nfs/dbraw/zinc/80/52/73/568805273.db2.gz SFPIVBVFRXPARL-UHFFFAOYSA-N 1 2 400.486 3.453 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3cccc(-c4cncnc4)n3)C1)CO2 ZINC000257315145 568808694 /nfs/dbraw/zinc/80/86/94/568808694.db2.gz VABNIUBKFIMTMH-DEOSSOPVSA-N 1 2 416.481 3.397 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3cccc(-c4cncnc4)n3)C1)CO2 ZINC000257315145 568808695 /nfs/dbraw/zinc/80/86/95/568808695.db2.gz VABNIUBKFIMTMH-DEOSSOPVSA-N 1 2 416.481 3.397 40 0 HGABLO Cc1cccc(CN2CCC[C@]3(C[N@H+](CC4=CCCOC4)CC(F)(F)C3)C2=O)n1 ZINC000306126806 568889599 /nfs/dbraw/zinc/88/95/99/568889599.db2.gz FFTYQGWWLULHAY-NRFANRHFSA-N 1 2 405.489 3.187 40 0 HGABLO Cc1cccc(CN2CCC[C@]3(C[N@@H+](CC4=CCCOC4)CC(F)(F)C3)C2=O)n1 ZINC000306126806 568889600 /nfs/dbraw/zinc/88/96/00/568889600.db2.gz FFTYQGWWLULHAY-NRFANRHFSA-N 1 2 405.489 3.187 40 0 HGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4ccco4)CCN3C)nnn2c1 ZINC000306135048 568897050 /nfs/dbraw/zinc/89/70/50/568897050.db2.gz OFWANVKVVSYQPO-OAQYLSRUSA-N 1 2 403.486 3.487 40 0 HGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4ccco4)CCN3C)nnn2c1 ZINC000306135048 568897052 /nfs/dbraw/zinc/89/70/52/568897052.db2.gz OFWANVKVVSYQPO-OAQYLSRUSA-N 1 2 403.486 3.487 40 0 HGABLO c1cc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)co1 ZINC000306138122 568900197 /nfs/dbraw/zinc/90/01/97/568900197.db2.gz RPVKGBMPHFTJHH-QFIPXVFZSA-N 1 2 421.545 3.033 40 0 HGABLO c1cc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)co1 ZINC000306138122 568900200 /nfs/dbraw/zinc/90/02/00/568900200.db2.gz RPVKGBMPHFTJHH-QFIPXVFZSA-N 1 2 421.545 3.033 40 0 HGABLO COc1ncccc1C[NH+]1CCN(c2nccn3c(-c4cccc(F)c4)cnc23)CC1 ZINC000306138533 568900322 /nfs/dbraw/zinc/90/03/22/568900322.db2.gz RZYGVNMFVUPPBL-UHFFFAOYSA-N 1 2 418.476 3.261 40 0 HGABLO Fc1cc(I)ccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328965942 568970193 /nfs/dbraw/zinc/97/01/93/568970193.db2.gz CGTLOYCLNRHSLM-UHFFFAOYSA-N 1 2 410.234 3.259 40 0 HGABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(I)c1 ZINC000016399217 569052056 /nfs/dbraw/zinc/05/20/56/569052056.db2.gz VXIAYPRAZZQWSX-UHFFFAOYSA-N 1 2 422.266 3.376 40 0 HGABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000229932381 569287242 /nfs/dbraw/zinc/28/72/42/569287242.db2.gz KIGAHMOFTZZRJP-DBYOASNMSA-N 1 2 406.482 3.075 40 0 HGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000231643506 569288649 /nfs/dbraw/zinc/28/86/49/569288649.db2.gz VBMTZEQWPXOMBR-IDVKNYFZSA-N 1 2 412.511 3.300 40 0 HGABLO CSc1nc2sc(C(=O)NCCCn3cc[nH+]c3)cc2c(N2CCCCC2)n1 ZINC000007342980 569337110 /nfs/dbraw/zinc/33/71/10/569337110.db2.gz LXFDRZFMWQPIAD-UHFFFAOYSA-N 1 2 416.576 3.420 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3ccc(-c4cncnc4)cn3)C1)CO2 ZINC000019692544 569346145 /nfs/dbraw/zinc/34/61/45/569346145.db2.gz HOZJXIPPATYTCK-XMMPIXPASA-N 1 2 416.481 3.397 40 0 HGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3ccc(-c4cncnc4)cn3)C1)CO2 ZINC000019692544 569346146 /nfs/dbraw/zinc/34/61/46/569346146.db2.gz HOZJXIPPATYTCK-XMMPIXPASA-N 1 2 416.481 3.397 40 0 HGABLO O=C(C[N@H+]1CC[C@H](c2cc(COc3ccccc3F)n[nH]2)C1)NC1CCCCC1 ZINC000019738948 569348684 /nfs/dbraw/zinc/34/86/84/569348684.db2.gz OXQHOHCYYJDVJM-INIZCTEOSA-N 1 2 400.498 3.366 40 0 HGABLO O=C(C[N@@H+]1CC[C@H](c2cc(COc3ccccc3F)n[nH]2)C1)NC1CCCCC1 ZINC000019738948 569348685 /nfs/dbraw/zinc/34/86/85/569348685.db2.gz OXQHOHCYYJDVJM-INIZCTEOSA-N 1 2 400.498 3.366 40 0 HGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(OC)c1 ZINC000261364558 569413819 /nfs/dbraw/zinc/41/38/19/569413819.db2.gz MEGVDJCRYYHDGJ-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO COc1ccc(CNC(=O)[C@@H]2Cc3[nH]c[nH+]c3CN2Cc2cc3ccccc3o2)cc1 ZINC000015676252 291240362 /nfs/dbraw/zinc/24/03/62/291240362.db2.gz BCJKVSHEQRMUMV-QFIPXVFZSA-N 1 2 416.481 3.408 40 0 biogenic,in-vitro HGABLO COc1ccc(CNC(=O)[C@@H]2Cc3[nH+]c[nH]c3CN2Cc2cc3ccccc3o2)cc1 ZINC000015676252 291240365 /nfs/dbraw/zinc/24/03/65/291240365.db2.gz BCJKVSHEQRMUMV-QFIPXVFZSA-N 1 2 416.481 3.408 40 0 biogenic,in-vitro HGABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353310 520773515 /nfs/dbraw/zinc/77/35/15/520773515.db2.gz OVNWPIDBYAWUQD-KRWDZBQOSA-N 1 2 403.552 3.295 40 0 HGABLO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000072358600 524283069 /nfs/dbraw/zinc/28/30/69/524283069.db2.gz QQEZWULIILIJDV-HNNXBMFYSA-N 1 2 409.515 3.427 40 0 HGABLO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000072358600 524283074 /nfs/dbraw/zinc/28/30/74/524283074.db2.gz QQEZWULIILIJDV-HNNXBMFYSA-N 1 2 409.515 3.427 40 0 HGABLO Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000044842515 524732171 /nfs/dbraw/zinc/73/21/71/524732171.db2.gz RGDLHFXEIWZEHK-UHFFFAOYSA-N 1 2 413.949 3.443 40 0 HGABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c(Cl)c1 ZINC000020799989 525220081 /nfs/dbraw/zinc/22/00/81/525220081.db2.gz OLPTZZVZLAJYGG-LBPRGKRZSA-N 1 2 414.897 3.075 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044841900 526290516 /nfs/dbraw/zinc/29/05/16/526290516.db2.gz ZBIPHEBXSIBSRE-UHFFFAOYSA-N 1 2 418.906 3.157 40 0 HGABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 ZINC000408550079 557411641 /nfs/dbraw/zinc/41/16/41/557411641.db2.gz DJXSBUNMBYBBHS-XMHGGMMESA-N 1 2 424.526 3.202 40 0 HGABLO Cc1[nH+]c2ccccc2n1CCc1nn(CCC(N)=O)c(=S)n1-c1ccccc1 ZINC000003851081 557501144 /nfs/dbraw/zinc/50/11/44/557501144.db2.gz FTJOCKHURCVXRW-UHFFFAOYSA-N 1 2 406.515 3.180 40 0 HGABLO CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000408675058 557675412 /nfs/dbraw/zinc/67/54/12/557675412.db2.gz GEWAKFOBLHGALG-UHFFFAOYSA-N 1 2 405.498 3.352 40 0 HGABLO Cc1nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741652 558262212 /nfs/dbraw/zinc/26/22/12/558262212.db2.gz NTZIRZDCRINFRC-IBGZPJMESA-N 1 2 416.529 3.367 40 0 HGABLO Cc1nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741652 558262214 /nfs/dbraw/zinc/26/22/14/558262214.db2.gz NTZIRZDCRINFRC-IBGZPJMESA-N 1 2 416.529 3.367 40 0 HGABLO Cc1nc([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741652 558262216 /nfs/dbraw/zinc/26/22/16/558262216.db2.gz NTZIRZDCRINFRC-IBGZPJMESA-N 1 2 416.529 3.367 40 0 HGABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)c2cn(C)nc2C)C3)cc1 ZINC000012116236 558328339 /nfs/dbraw/zinc/32/83/39/558328339.db2.gz QXEDSGXFIGDQPP-UHFFFAOYSA-N 1 2 422.533 3.467 40 0 HGABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)Nc1cccc2ccccc21 ZINC000012183437 558343890 /nfs/dbraw/zinc/34/38/90/558343890.db2.gz QACJVSDUYWBYNV-UHFFFAOYSA-N 1 2 401.466 3.393 40 0 HGABLO COc1cc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2cccs2)nc(OC)n1 ZINC000012221379 558355993 /nfs/dbraw/zinc/35/59/93/558355993.db2.gz UDYINIMOLGBTHZ-UHFFFAOYSA-N 1 2 423.502 3.378 40 0 HGABLO COc1ccccc1[C@H]1NC2=[NH+]CN(Cc3ccco3)CN2c2nc3ccccc3n21 ZINC000020638550 558396875 /nfs/dbraw/zinc/39/68/75/558396875.db2.gz DSSVWEUQQXYIOS-NRFANRHFSA-N 1 2 414.469 3.381 40 0 HGABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1Cl ZINC000020801428 558415322 /nfs/dbraw/zinc/41/53/22/558415322.db2.gz QNHXJVLZHMGCOR-OALUTQOASA-N 1 2 411.889 3.105 40 0 HGABLO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000036735049 558801488 /nfs/dbraw/zinc/80/14/88/558801488.db2.gz JODSRYXBCIQARH-UHFFFAOYSA-N 1 2 414.893 3.026 40 0 HGABLO O=C(Nc1ccc(I)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038771617 558815227 /nfs/dbraw/zinc/81/52/27/558815227.db2.gz IMAMEQXQTPZDFF-UHFFFAOYSA-N 1 2 422.266 3.376 40 0 HGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000019340035 558871505 /nfs/dbraw/zinc/87/15/05/558871505.db2.gz PWVONPWCCZFWJQ-UHFFFAOYSA-N 1 2 418.888 3.434 40 0 HGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000019340035 558871508 /nfs/dbraw/zinc/87/15/08/558871508.db2.gz PWVONPWCCZFWJQ-UHFFFAOYSA-N 1 2 418.888 3.434 40 0 HGABLO O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349398 558875195 /nfs/dbraw/zinc/87/51/95/558875195.db2.gz SGXKOPMQMRRSAI-OAQYLSRUSA-N 1 2 424.520 3.321 40 0 HGABLO O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349398 558875196 /nfs/dbraw/zinc/87/51/96/558875196.db2.gz SGXKOPMQMRRSAI-OAQYLSRUSA-N 1 2 424.520 3.321 40 0 HGABLO Cc1ccc(C)c(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000019366001 558876725 /nfs/dbraw/zinc/87/67/25/558876725.db2.gz NJOYXILDEFCESZ-DNQXCXABSA-N 1 2 408.542 3.260 40 0 HGABLO COc1ccccc1C1(O)CC[NH+](CC(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000057822670 558890956 /nfs/dbraw/zinc/89/09/56/558890956.db2.gz IKIQYZXVBKAVIV-UHFFFAOYSA-N 1 2 422.525 3.161 40 0 HGABLO C[C@H]1C[N@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000072324260 558933106 /nfs/dbraw/zinc/93/31/06/558933106.db2.gz HGVTYXITUVKYSS-HOTGVXAUSA-N 1 2 422.485 3.176 40 0 HGABLO C[C@H]1C[N@@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000072324260 558933109 /nfs/dbraw/zinc/93/31/09/558933109.db2.gz HGVTYXITUVKYSS-HOTGVXAUSA-N 1 2 422.485 3.176 40 0 HGABLO Cc1nc(C2=CC[N@H+](Cc3c(F)cccc3F)CC2)nc(N2CCOCC2)c1C ZINC000072339604 558938647 /nfs/dbraw/zinc/93/86/47/558938647.db2.gz DGHGCQDZXOGONF-UHFFFAOYSA-N 1 2 400.473 3.498 40 0 HGABLO Cc1nc(C2=CC[N@@H+](Cc3c(F)cccc3F)CC2)nc(N2CCOCC2)c1C ZINC000072339604 558938649 /nfs/dbraw/zinc/93/86/49/558938649.db2.gz DGHGCQDZXOGONF-UHFFFAOYSA-N 1 2 400.473 3.498 40 0 HGABLO C[N@@H+]1CCN(C(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000019589364 558940127 /nfs/dbraw/zinc/94/01/27/558940127.db2.gz VMNRSYVWYOFWJS-IBGZPJMESA-N 1 2 411.889 3.122 40 0 HGABLO C[N@H+]1CCN(C(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000019589364 558940128 /nfs/dbraw/zinc/94/01/28/558940128.db2.gz VMNRSYVWYOFWJS-IBGZPJMESA-N 1 2 411.889 3.122 40 0 HGABLO CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000019660853 558951928 /nfs/dbraw/zinc/95/19/28/558951928.db2.gz ZKGRUTDNEUEQAF-UHFFFAOYSA-N 1 2 418.501 3.137 40 0 HGABLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 ZINC000072373756 558961284 /nfs/dbraw/zinc/96/12/84/558961284.db2.gz ZTSKBTLIHKRNIP-OAQYLSRUSA-N 1 2 422.577 3.138 40 0 HGABLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 ZINC000072373756 558961285 /nfs/dbraw/zinc/96/12/85/558961285.db2.gz ZTSKBTLIHKRNIP-OAQYLSRUSA-N 1 2 422.577 3.138 40 0 HGABLO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@@H+]2CC(=O)Nc2nccs2)c1 ZINC000072376869 558966159 /nfs/dbraw/zinc/96/61/59/558966159.db2.gz BXBFKFRBBDMGAC-KRWDZBQOSA-N 1 2 424.530 3.357 40 0 HGABLO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@H+]2CC(=O)Nc2nccs2)c1 ZINC000072376869 558966162 /nfs/dbraw/zinc/96/61/62/558966162.db2.gz BXBFKFRBBDMGAC-KRWDZBQOSA-N 1 2 424.530 3.357 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377020 558966286 /nfs/dbraw/zinc/96/62/86/558966286.db2.gz USYZIGVFVOCCBW-SFHVURJKSA-N 1 2 406.465 3.426 40 0 HGABLO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377020 558966287 /nfs/dbraw/zinc/96/62/87/558966287.db2.gz USYZIGVFVOCCBW-SFHVURJKSA-N 1 2 406.465 3.426 40 0 HGABLO O=C(C[N@H+]1CCC[C@H]1c1cc(CCOc2ccccc2Cl)n[nH]1)N1CCCC1 ZINC000072378313 558967480 /nfs/dbraw/zinc/96/74/80/558967480.db2.gz LESLYNRPVDTUDW-IBGZPJMESA-N 1 2 402.926 3.444 40 0 HGABLO O=C(C[N@@H+]1CCC[C@H]1c1cc(CCOc2ccccc2Cl)n[nH]1)N1CCCC1 ZINC000072378313 558967483 /nfs/dbraw/zinc/96/74/83/558967483.db2.gz LESLYNRPVDTUDW-IBGZPJMESA-N 1 2 402.926 3.444 40 0 HGABLO Cc1cc(C)cc(C(=O)N2CCC3(CCn4cc[nH+]c4[C@@H]3NC(=O)C3CC3)CC2)c1 ZINC000585091872 559022921 /nfs/dbraw/zinc/02/29/21/559022921.db2.gz RLTBRFKJKIDZDW-FQEVSTJZSA-N 1 2 406.530 3.394 40 0 HGABLO CC(C)(C)CCNC(=O)[C@@H]1C[N@H+](Cc2nc(C(F)(F)F)c[nH]2)CC12CCOCC2 ZINC000585101836 559024907 /nfs/dbraw/zinc/02/49/07/559024907.db2.gz GBLYOJTXRFNKND-AWEZNQCLSA-N 1 2 416.488 3.210 40 0 HGABLO CC(C)(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2nc(C(F)(F)F)c[nH]2)CC12CCOCC2 ZINC000585101836 559024908 /nfs/dbraw/zinc/02/49/08/559024908.db2.gz GBLYOJTXRFNKND-AWEZNQCLSA-N 1 2 416.488 3.210 40 0 HGABLO COc1cc(F)ccc1C(=O)N1CCc2[nH+]cc(-c3cccc(NC(C)=O)c3)n2CC1 ZINC000585111004 559031623 /nfs/dbraw/zinc/03/16/23/559031623.db2.gz AJAVVVUIUNDHAY-UHFFFAOYSA-N 1 2 422.460 3.355 40 0 HGABLO COCc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccc(NC(C)=O)cc4)n3CC2)cc1 ZINC000585111134 559031664 /nfs/dbraw/zinc/03/16/64/559031664.db2.gz FVYDTGHNOCHAMP-UHFFFAOYSA-N 1 2 418.497 3.353 40 0 HGABLO O=C(c1ccc(C(F)(F)F)cc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259591 559105993 /nfs/dbraw/zinc/10/59/93/559105993.db2.gz MHUIKZQBIRGUSP-UHFFFAOYSA-N 1 2 407.440 3.329 40 0 HGABLO O=C(NCC[NH+]1CCOCC1)c1cc2ccc(-c3ccsc3)cn2c1-c1cocn1 ZINC000096267037 559107856 /nfs/dbraw/zinc/10/78/56/559107856.db2.gz ZSJNZFRVFSQKQC-UHFFFAOYSA-N 1 2 422.510 3.385 40 0 HGABLO Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ncn2)n1 ZINC000585291279 559123762 /nfs/dbraw/zinc/12/37/62/559123762.db2.gz MQVPZNFKVPCVTG-OZSKJFCKSA-N 1 2 403.490 3.141 40 0 HGABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000001224839 560572622 /nfs/dbraw/zinc/57/26/22/560572622.db2.gz PKVWVIZFJCEAPJ-FQEVSTJZSA-N 1 2 408.506 3.214 40 0 HGABLO COc1cc2cc(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2cc1OC ZINC000013563065 560816115 /nfs/dbraw/zinc/81/61/15/560816115.db2.gz RJILLQHVRKAGBD-LJQANCHMSA-N 1 2 409.486 3.119 40 0 HGABLO Cn1cc[nH+]c1CN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000604383315 568489698 /nfs/dbraw/zinc/48/96/98/568489698.db2.gz VHSFNUUJQGNGIZ-WPFOTENUSA-N 1 2 422.504 3.056 40 0 biogenic,in-vitro HGABLO CCOc1cc2c(cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1)O[C@H](C)C2 ZINC000022931504 568500768 /nfs/dbraw/zinc/50/07/68/568500768.db2.gz VNJGADMVANRBNI-LJQANCHMSA-N 1 2 411.546 3.138 40 0 HGABLO CCOc1cc2c(cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1)O[C@H](C)C2 ZINC000022931504 568500770 /nfs/dbraw/zinc/50/07/70/568500770.db2.gz VNJGADMVANRBNI-LJQANCHMSA-N 1 2 411.546 3.138 40 0 HGABLO CCOc1cc2c(cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1)O[C@H](C)C2 ZINC000022931504 568500772 /nfs/dbraw/zinc/50/07/72/568500772.db2.gz VNJGADMVANRBNI-LJQANCHMSA-N 1 2 411.546 3.138 40 0 HGABLO CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223171224 568540065 /nfs/dbraw/zinc/54/00/65/568540065.db2.gz PXLGOZXSKVUMJO-RTWAWAEBSA-N 1 2 413.591 3.159 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000096901688 568721918 /nfs/dbraw/zinc/72/19/18/568721918.db2.gz BMYPHOZHYPYXHF-QFIPXVFZSA-N 1 2 419.577 3.429 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@]12CCCO2 ZINC000257202173 568776824 /nfs/dbraw/zinc/77/68/24/568776824.db2.gz AKTIOZUGYUPCOF-RXVVDRJESA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@]12CCCO2 ZINC000257202173 568776827 /nfs/dbraw/zinc/77/68/27/568776827.db2.gz AKTIOZUGYUPCOF-RXVVDRJESA-N 1 2 419.522 3.081 40 0 HGABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000257222400 568782753 /nfs/dbraw/zinc/78/27/53/568782753.db2.gz DTDHQYDNNLFCMO-NRFANRHFSA-N 1 2 415.925 3.475 40 0 HGABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000257222400 568782755 /nfs/dbraw/zinc/78/27/55/568782755.db2.gz DTDHQYDNNLFCMO-NRFANRHFSA-N 1 2 415.925 3.475 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257222273 568782777 /nfs/dbraw/zinc/78/27/77/568782777.db2.gz DSQIIRAWOSVOCR-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257222273 568782778 /nfs/dbraw/zinc/78/27/78/568782778.db2.gz DSQIIRAWOSVOCR-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO CCCN1CC[N@H+](Cc2cc[nH]n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257226260 568783987 /nfs/dbraw/zinc/78/39/87/568783987.db2.gz FJWUYEPGLCWTBR-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2cc[nH]n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257226260 568783988 /nfs/dbraw/zinc/78/39/88/568783988.db2.gz FJWUYEPGLCWTBR-NRFANRHFSA-N 1 2 403.530 3.385 40 0 HGABLO Cc1nc(N)cc(C2(C)CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)[nH+]1 ZINC000257253725 568791290 /nfs/dbraw/zinc/79/12/90/568791290.db2.gz JZZVZKYUACSDNY-UHFFFAOYSA-N 1 2 404.474 3.143 40 0 HGABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4ccccn4)CCO3)c2)s1 ZINC000257277103 568797549 /nfs/dbraw/zinc/79/75/49/568797549.db2.gz NWKDCRYXDUACEN-KRWDZBQOSA-N 1 2 410.503 3.156 40 0 HGABLO Cc1cccc2cc(C(=O)N3CCC[C@@H](CC(=O)NCCn4cc[nH+]c4)C3)c(C)nc12 ZINC000257278885 568798188 /nfs/dbraw/zinc/79/81/88/568798188.db2.gz OECDUPFQEUECGQ-IBGZPJMESA-N 1 2 419.529 3.107 40 0 HGABLO Cc1cc(N2CCC[C@](C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)C2)nc[nH+]1 ZINC000257319810 568810202 /nfs/dbraw/zinc/81/02/02/568810202.db2.gz VUDXNIBSUVCBFT-NRFANRHFSA-N 1 2 410.547 3.237 40 0 HGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC)c1 ZINC000261362299 568819330 /nfs/dbraw/zinc/81/93/30/568819330.db2.gz CSGDZQMBTCMGMZ-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO CCOc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261366289 568819772 /nfs/dbraw/zinc/81/97/72/568819772.db2.gz YPNZVILCFNTHAR-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO COc1cccc(CN2CCC[C@]3(CN(Cc4c[nH+]c(C)[nH]4)CC(F)(F)C3)C2=O)c1 ZINC000306128384 568891208 /nfs/dbraw/zinc/89/12/08/568891208.db2.gz GZAVYJLTZBWRFV-NRFANRHFSA-N 1 2 418.488 3.377 40 0 HGABLO COc1cccc(CN2CCC[C@]3(CN(Cc4c[nH]c(C)[nH+]4)CC(F)(F)C3)C2=O)c1 ZINC000306128384 568891210 /nfs/dbraw/zinc/89/12/10/568891210.db2.gz GZAVYJLTZBWRFV-NRFANRHFSA-N 1 2 418.488 3.377 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccccc4Cl)C[C@@H]2S3(=O)=O)cn1 ZINC000306131742 568893934 /nfs/dbraw/zinc/89/39/34/568893934.db2.gz KOMYDWULVMSYKN-RXVVDRJESA-N 1 2 413.930 3.496 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccccc4Cl)C[C@@H]2S3(=O)=O)cn1 ZINC000306131742 568893937 /nfs/dbraw/zinc/89/39/37/568893937.db2.gz KOMYDWULVMSYKN-RXVVDRJESA-N 1 2 413.930 3.496 40 0 HGABLO COCCN1CCC[C@@]2(C[N@H+](Cc3cc(F)cc(F)c3OC)CC(F)(F)C2)C1=O ZINC000306132653 568894898 /nfs/dbraw/zinc/89/48/98/568894898.db2.gz LOKPXFRUDXYVJA-LJQANCHMSA-N 1 2 418.431 3.070 40 0 HGABLO COCCN1CCC[C@@]2(C[N@@H+](Cc3cc(F)cc(F)c3OC)CC(F)(F)C2)C1=O ZINC000306132653 568894899 /nfs/dbraw/zinc/89/48/99/568894899.db2.gz LOKPXFRUDXYVJA-LJQANCHMSA-N 1 2 418.431 3.070 40 0 HGABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000306140013 568901962 /nfs/dbraw/zinc/90/19/62/568901962.db2.gz UHEWCPWRIMFDNQ-UHFFFAOYSA-N 1 2 423.467 3.300 40 0 HGABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000306140013 568901964 /nfs/dbraw/zinc/90/19/64/568901964.db2.gz UHEWCPWRIMFDNQ-UHFFFAOYSA-N 1 2 423.467 3.300 40 0 HGABLO O=C(NCc1cccnc1)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306140780 568902529 /nfs/dbraw/zinc/90/25/29/568902529.db2.gz VEELFTIPGJJTRA-NRFANRHFSA-N 1 2 412.497 3.391 40 0 HGABLO O=C(NCc1cccnc1)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306140780 568902531 /nfs/dbraw/zinc/90/25/31/568902531.db2.gz VEELFTIPGJJTRA-NRFANRHFSA-N 1 2 412.497 3.391 40 0 HGABLO CN1CC[N@H+](Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306140968 568902864 /nfs/dbraw/zinc/90/28/64/568902864.db2.gz VHUNQMRZAVESAX-JOCHJYFZSA-N 1 2 402.477 3.419 40 0 HGABLO CN1CC[N@@H+](Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306140968 568902866 /nfs/dbraw/zinc/90/28/66/568902866.db2.gz VHUNQMRZAVESAX-JOCHJYFZSA-N 1 2 402.477 3.419 40 0 HGABLO Cc1cc(CN2CCC[C@@]3(C[N@H+](Cc4ccoc4C)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306144183 568905568 /nfs/dbraw/zinc/90/55/68/568905568.db2.gz YYEVGHXDHDIFKN-HXUWFJFHSA-N 1 2 406.477 3.280 40 0 HGABLO Cc1cc(CN2CCC[C@@]3(C[N@@H+](Cc4ccoc4C)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306144183 568905570 /nfs/dbraw/zinc/90/55/70/568905570.db2.gz YYEVGHXDHDIFKN-HXUWFJFHSA-N 1 2 406.477 3.280 40 0 HGABLO OCCCNc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328987616 568971473 /nfs/dbraw/zinc/97/14/73/568971473.db2.gz IBSULTWTHZXRFI-UHFFFAOYSA-N 1 2 418.419 3.292 40 0 HGABLO C[C@H](CO)Nc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329004838 568972107 /nfs/dbraw/zinc/97/21/07/568972107.db2.gz KUVBYESVJSVCCZ-CQSZACIVSA-N 1 2 418.419 3.291 40 0 HGABLO C[C@@H](CO)Nc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329004837 568972252 /nfs/dbraw/zinc/97/22/52/568972252.db2.gz KUVBYESVJSVCCZ-AWEZNQCLSA-N 1 2 418.419 3.291 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245229607 569313820 /nfs/dbraw/zinc/31/38/20/569313820.db2.gz BUKVTGGQIXTIFJ-HULNYRCFSA-N 1 2 420.509 3.465 40 0 HGABLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)Nc1ccccc1 ZINC000019766922 569349082 /nfs/dbraw/zinc/34/90/82/569349082.db2.gz JYPCYZWJFBVIGL-HXUWFJFHSA-N 1 2 409.534 3.433 40 0 HGABLO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)Nc1ccccc1 ZINC000019766922 569349083 /nfs/dbraw/zinc/34/90/83/569349083.db2.gz JYPCYZWJFBVIGL-HXUWFJFHSA-N 1 2 409.534 3.433 40 0 HGABLO COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)[N@H+](C)C2)c1 ZINC000020464256 575366394 /nfs/dbraw/zinc/36/63/94/575366394.db2.gz ACKCJQMWDWXCGE-HKUYNNGSSA-N 1 2 407.474 3.236 40 0 biogenic,in-vitro HGABLO COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)[N@@H+](C)C2)c1 ZINC000020464256 575366399 /nfs/dbraw/zinc/36/63/99/575366399.db2.gz ACKCJQMWDWXCGE-HKUYNNGSSA-N 1 2 407.474 3.236 40 0 biogenic,in-vitro HGABLO C[N@@H+]1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529801 291235715 /nfs/dbraw/zinc/23/57/15/291235715.db2.gz NRWMIZDEXLSEST-WMZOPIPTSA-N 1 2 412.877 3.330 40 0 biogenic,in-vitro HGABLO C[N@H+]1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529801 291235716 /nfs/dbraw/zinc/23/57/16/291235716.db2.gz NRWMIZDEXLSEST-WMZOPIPTSA-N 1 2 412.877 3.330 40 0 biogenic,in-vitro HGABLO COc1ccc(-c2noc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2[C@H](C)O)cc1 ZINC000253405535 291239448 /nfs/dbraw/zinc/23/94/48/291239448.db2.gz SOXNPNOQYXCJTJ-KRWDZBQOSA-N 1 2 421.497 3.362 40 0 biogenic,in-vitro HGABLO CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000044849044 523042048 /nfs/dbraw/zinc/04/20/48/523042048.db2.gz SGECUMNZFVIZJR-LJQANCHMSA-N 1 2 400.450 3.056 40 0 HGABLO O=C(c1ccc(CN2CCCC2=O)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044901033 526669702 /nfs/dbraw/zinc/66/97/02/526669702.db2.gz RCBRKHJCNCRAHV-XBXARRHUSA-N 1 2 403.526 3.280 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035361705 557520376 /nfs/dbraw/zinc/52/03/76/557520376.db2.gz MQFONYWUEWYXHW-YSTOQKLRSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035361705 557520378 /nfs/dbraw/zinc/52/03/78/557520378.db2.gz MQFONYWUEWYXHW-YSTOQKLRSA-N 1 2 408.885 3.484 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000004885822 557609967 /nfs/dbraw/zinc/60/99/67/557609967.db2.gz BUKVTGGQIXTIFJ-UKDJSQQHSA-N 1 2 420.509 3.465 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@H+](CC(=O)NC4CC4)C3)c(=O)c2c1C ZINC000012184133 558343995 /nfs/dbraw/zinc/34/39/95/558343995.db2.gz HBLSLWKAJIDTQP-MRXNPFEDSA-N 1 2 402.564 3.114 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@@H+](CC(=O)NC4CC4)C3)c(=O)c2c1C ZINC000012184133 558343997 /nfs/dbraw/zinc/34/39/97/558343997.db2.gz HBLSLWKAJIDTQP-MRXNPFEDSA-N 1 2 402.564 3.114 40 0 HGABLO COC(=O)c1c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)sc2c1CCCC2 ZINC000020483623 558375739 /nfs/dbraw/zinc/37/57/39/558375739.db2.gz HXUBCYHSMPSMQM-UHFFFAOYSA-N 1 2 414.527 3.498 40 0 HGABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(I)cc1 ZINC000020484863 558376163 /nfs/dbraw/zinc/37/61/63/558376163.db2.gz YFLXRCBKAZDGCK-UHFFFAOYSA-N 1 2 403.223 3.407 40 0 HGABLO CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1 ZINC000020673984 558399044 /nfs/dbraw/zinc/39/90/44/558399044.db2.gz CEUYTDTZFBAICT-INIZCTEOSA-N 1 2 408.506 3.237 40 0 HGABLO Cc1c(-c2cc(C(=O)N3CCN(c4cc(C)c5ccccc5[nH+]4)CC3)on2)cnn1C ZINC000019118971 558842559 /nfs/dbraw/zinc/84/25/59/558842559.db2.gz LQYIGSIKQJTSHW-UHFFFAOYSA-N 1 2 416.485 3.203 40 0 HGABLO Cc1cc(N2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)[nH+]c2ccccc12 ZINC000019118979 558842628 /nfs/dbraw/zinc/84/26/28/558842628.db2.gz MHFCQVOXYGHHCY-UHFFFAOYSA-N 1 2 412.497 3.145 40 0 HGABLO COc1nc2cc(C)ccc2cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019234259 558853655 /nfs/dbraw/zinc/85/36/55/558853655.db2.gz QLMBLHBDLBJOIK-UHFFFAOYSA-N 1 2 406.530 3.281 40 0 HGABLO COc1nc2cc(C)ccc2cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019234259 558853656 /nfs/dbraw/zinc/85/36/56/558853656.db2.gz QLMBLHBDLBJOIK-UHFFFAOYSA-N 1 2 406.530 3.281 40 0 HGABLO COc1nc2cc(C)ccc2cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019234259 558853659 /nfs/dbraw/zinc/85/36/59/558853659.db2.gz QLMBLHBDLBJOIK-UHFFFAOYSA-N 1 2 406.530 3.281 40 0 HGABLO O=C(c1ncoc1-c1ccccc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019368287 558877257 /nfs/dbraw/zinc/87/72/57/558877257.db2.gz INOYZOMHENBATC-UHFFFAOYSA-N 1 2 409.417 3.167 40 0 HGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000019451481 558889628 /nfs/dbraw/zinc/88/96/28/558889628.db2.gz OLGYPBKMUWMUPF-HXUWFJFHSA-N 1 2 408.477 3.045 40 0 HGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000019451481 558889630 /nfs/dbraw/zinc/88/96/30/558889630.db2.gz OLGYPBKMUWMUPF-HXUWFJFHSA-N 1 2 408.477 3.045 40 0 HGABLO COc1ccc(C[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)c(OC)c1 ZINC000019552156 558915761 /nfs/dbraw/zinc/91/57/61/558915761.db2.gz FGAYABJJFNUTME-NRFANRHFSA-N 1 2 412.534 3.275 40 0 HGABLO COc1ccc(C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)c(OC)c1 ZINC000019552156 558915763 /nfs/dbraw/zinc/91/57/63/558915763.db2.gz FGAYABJJFNUTME-NRFANRHFSA-N 1 2 412.534 3.275 40 0 HGABLO Cc1cc(C)n([C@@H](C)CC(=O)N2CCN([C@H](c3[nH+]ccn3C)c3ccccc3)CC2)n1 ZINC000019572915 558931080 /nfs/dbraw/zinc/93/10/80/558931080.db2.gz FTTYGMQIQRFWHG-REWPJTCUSA-N 1 2 420.561 3.118 40 0 HGABLO COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000019664119 558954623 /nfs/dbraw/zinc/95/46/23/558954623.db2.gz WPNOUWUTQMDMAI-QHCPKHFHSA-N 1 2 408.477 3.164 40 0 HGABLO COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000019664119 558954624 /nfs/dbraw/zinc/95/46/24/558954624.db2.gz WPNOUWUTQMDMAI-QHCPKHFHSA-N 1 2 408.477 3.164 40 0 HGABLO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000072392178 558971934 /nfs/dbraw/zinc/97/19/34/558971934.db2.gz HZFKADFOQGFZHC-UHFFFAOYSA-N 1 2 411.433 3.444 40 0 HGABLO CC(C)n1c2cc(C(=O)N3CC[NH+](C)CC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146453 559097930 /nfs/dbraw/zinc/09/79/30/559097930.db2.gz YAYIYSWXJJYGLE-UHFFFAOYSA-N 1 2 402.502 3.344 40 0 HGABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000000792124 559279539 /nfs/dbraw/zinc/27/95/39/559279539.db2.gz FGHUAHMBZBDDOQ-CABCVRRESA-N 1 2 418.888 3.254 40 0 HGABLO O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000138165753 559281990 /nfs/dbraw/zinc/28/19/90/559281990.db2.gz SWFXPXMTVFQEDP-UHFFFAOYSA-N 1 2 409.417 3.167 40 0 HGABLO COc1ccccc1NC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1C ZINC000000892147 560542829 /nfs/dbraw/zinc/54/28/29/560542829.db2.gz PURFDNZZCFPJEU-UHFFFAOYSA-N 1 2 422.514 3.216 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000892807 560543054 /nfs/dbraw/zinc/54/30/54/560543054.db2.gz GCEKWTCOCJINQG-NRFANRHFSA-N 1 2 422.533 3.460 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000892815 560543058 /nfs/dbraw/zinc/54/30/58/560543058.db2.gz TUBPMSNWVCYLKJ-VFNWGFHPSA-N 1 2 422.533 3.460 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000892815 560543060 /nfs/dbraw/zinc/54/30/60/560543060.db2.gz TUBPMSNWVCYLKJ-VFNWGFHPSA-N 1 2 422.533 3.460 40 0 HGABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c2cc1C ZINC000000893868 560543462 /nfs/dbraw/zinc/54/34/62/560543462.db2.gz IZXNPINOKYYHPD-QFIPXVFZSA-N 1 2 414.513 3.365 40 0 HGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000100421283 560724519 /nfs/dbraw/zinc/72/45/19/560724519.db2.gz VBMTZEQWPXOMBR-SUWCGCSTSA-N 1 2 412.511 3.300 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469305 560780811 /nfs/dbraw/zinc/78/08/11/560780811.db2.gz TUBPMSNWVCYLKJ-QVKFZJNVSA-N 1 2 422.533 3.460 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469305 560780812 /nfs/dbraw/zinc/78/08/12/560780812.db2.gz TUBPMSNWVCYLKJ-QVKFZJNVSA-N 1 2 422.533 3.460 40 0 HGABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)c1 ZINC000014153362 560839177 /nfs/dbraw/zinc/83/91/77/560839177.db2.gz DPJXWXVHAIDVBQ-UHFFFAOYSA-N 1 2 421.950 3.145 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019499518 560873452 /nfs/dbraw/zinc/87/34/52/560873452.db2.gz YEFXJKBRACTRNK-FQEVSTJZSA-N 1 2 400.571 3.342 40 0 HGABLO COC(=O)c1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1C ZINC000225778143 568673849 /nfs/dbraw/zinc/67/38/49/568673849.db2.gz JANFVALVUIDKBK-UHFFFAOYSA-N 1 2 413.543 3.100 40 0 HGABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1Cl ZINC000257219231 568781907 /nfs/dbraw/zinc/78/19/07/568781907.db2.gz DGCDVTAOLXUWKB-FPOVZHCZSA-N 1 2 404.894 3.191 40 0 HGABLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1Cl ZINC000257219231 568781908 /nfs/dbraw/zinc/78/19/08/568781908.db2.gz DGCDVTAOLXUWKB-FPOVZHCZSA-N 1 2 404.894 3.191 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 ZINC000257236959 568786697 /nfs/dbraw/zinc/78/66/97/568786697.db2.gz HEPMGCWHRTVSPT-LAUBAEHRSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 ZINC000257236959 568786699 /nfs/dbraw/zinc/78/66/99/568786699.db2.gz HEPMGCWHRTVSPT-LAUBAEHRSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@]12CCCO2 ZINC000257286301 568800507 /nfs/dbraw/zinc/80/05/07/568800507.db2.gz PLBUIMHNPQUYSB-PXNSSMCTSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@]12CCCO2 ZINC000257286301 568800510 /nfs/dbraw/zinc/80/05/10/568800510.db2.gz PLBUIMHNPQUYSB-PXNSSMCTSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@]12CCCO2 ZINC000257286300 568800515 /nfs/dbraw/zinc/80/05/15/568800515.db2.gz PLBUIMHNPQUYSB-FXAWDEMLSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@]12CCCO2 ZINC000257286300 568800517 /nfs/dbraw/zinc/80/05/17/568800517.db2.gz PLBUIMHNPQUYSB-FXAWDEMLSA-N 1 2 405.495 3.158 40 0 HGABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Cl)c1O ZINC000261361670 568819348 /nfs/dbraw/zinc/81/93/48/568819348.db2.gz BFMZLAFWIMYAFP-MRXNPFEDSA-O 1 2 403.871 3.199 40 0 HGABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000306129553 568892138 /nfs/dbraw/zinc/89/21/38/568892138.db2.gz IGTOVVINPFXFGV-WIYYLYMNSA-N 1 2 417.579 3.173 40 0 HGABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000306129553 568892139 /nfs/dbraw/zinc/89/21/39/568892139.db2.gz IGTOVVINPFXFGV-WIYYLYMNSA-N 1 2 417.579 3.173 40 0 HGABLO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccccc3)n12 ZINC000306130266 568892691 /nfs/dbraw/zinc/89/26/91/568892691.db2.gz JALPRRPXHWTSFV-UHFFFAOYSA-N 1 2 415.541 3.259 40 0 HGABLO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccccc3)n12 ZINC000306130266 568892693 /nfs/dbraw/zinc/89/26/93/568892693.db2.gz JALPRRPXHWTSFV-UHFFFAOYSA-N 1 2 415.541 3.259 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccccc4Cl)C[C@H]2S3(=O)=O)cn1 ZINC000306131740 568893964 /nfs/dbraw/zinc/89/39/64/568893964.db2.gz KOMYDWULVMSYKN-GHTZIAJQSA-N 1 2 413.930 3.496 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccccc4Cl)C[C@H]2S3(=O)=O)cn1 ZINC000306131740 568893967 /nfs/dbraw/zinc/89/39/67/568893967.db2.gz KOMYDWULVMSYKN-GHTZIAJQSA-N 1 2 413.930 3.496 40 0 HGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccccc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306132690 568894948 /nfs/dbraw/zinc/89/49/48/568894948.db2.gz LPHXGAULCPHTHW-RDPSFJRHSA-N 1 2 406.530 3.332 40 0 HGABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccncc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306136658 568898413 /nfs/dbraw/zinc/89/84/13/568898413.db2.gz PZIZTTAJHBAUIJ-UHFFFAOYSA-N 1 2 410.566 3.198 40 0 HGABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccncc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306136658 568898414 /nfs/dbraw/zinc/89/84/14/568898414.db2.gz PZIZTTAJHBAUIJ-UHFFFAOYSA-N 1 2 410.566 3.198 40 0 HGABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1ccncc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306136658 568898415 /nfs/dbraw/zinc/89/84/15/568898415.db2.gz PZIZTTAJHBAUIJ-UHFFFAOYSA-N 1 2 410.566 3.198 40 0 HGABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1ccccn1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306140682 568902416 /nfs/dbraw/zinc/90/24/16/568902416.db2.gz VATNTLWXOQKHNT-UHFFFAOYSA-N 1 2 410.566 3.198 40 0 HGABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016806111 568938165 /nfs/dbraw/zinc/93/81/65/568938165.db2.gz ABRNRMCBTPZDPW-UWVGGRQHSA-N 1 2 404.357 3.378 40 0 HGABLO OCCNc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328965931 568970180 /nfs/dbraw/zinc/97/01/80/568970180.db2.gz CGKVLJLJHKKCEI-UHFFFAOYSA-N 1 2 422.382 3.041 40 0 HGABLO OCCNc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329011515 568972591 /nfs/dbraw/zinc/97/25/91/568972591.db2.gz MGBSWAHCAOPVLT-UHFFFAOYSA-N 1 2 422.382 3.041 40 0 HGABLO C[C@@H](CO)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329063423 568975273 /nfs/dbraw/zinc/97/52/73/568975273.db2.gz XEGIGWWQKVPWII-LBPRGKRZSA-N 1 2 424.448 3.352 40 0 HGABLO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)(C3)C2 ZINC000247908909 569315713 /nfs/dbraw/zinc/31/57/13/569315713.db2.gz DCEDRGAKYBGYDT-HZGVGESOSA-N 1 2 424.520 3.240 40 0 HGABLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 ZINC000019766915 569349121 /nfs/dbraw/zinc/34/91/21/569349121.db2.gz LDKPVGQOEKFQGS-HXUWFJFHSA-N 1 2 415.582 3.243 40 0 HGABLO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 ZINC000019766915 569349122 /nfs/dbraw/zinc/34/91/22/569349122.db2.gz LDKPVGQOEKFQGS-HXUWFJFHSA-N 1 2 415.582 3.243 40 0 HGABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000009345488 569392540 /nfs/dbraw/zinc/39/25/40/569392540.db2.gz USJLSKUJLJCMPX-HAGHYFMRSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000009345488 569392541 /nfs/dbraw/zinc/39/25/41/569392541.db2.gz USJLSKUJLJCMPX-HAGHYFMRSA-N 1 2 424.884 3.184 40 0 HGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccccc1OC ZINC000261363050 569413519 /nfs/dbraw/zinc/41/35/19/569413519.db2.gz FRWTZKFRPZJTQR-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccc(OC)c1 ZINC000261364559 569413743 /nfs/dbraw/zinc/41/37/43/569413743.db2.gz MEGVDJCRYYHDGJ-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000225480791 291236610 /nfs/dbraw/zinc/23/66/10/291236610.db2.gz LCMYPVAPSFCQEU-UGKGYDQZSA-N 1 2 403.482 3.250 40 0 biogenic,in-vitro HGABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC000225480791 291236612 /nfs/dbraw/zinc/23/66/12/291236612.db2.gz LCMYPVAPSFCQEU-UGKGYDQZSA-N 1 2 403.482 3.250 40 0 biogenic,in-vitro HGABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)[N@H+](C)C2)cc1 ZINC000012529985 291240428 /nfs/dbraw/zinc/24/04/28/291240428.db2.gz VZGGFUFEDKJLSU-WMZOPIPTSA-N 1 2 411.437 3.451 40 0 biogenic,in-vitro HGABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)[N@@H+](C)C2)cc1 ZINC000012529985 291240431 /nfs/dbraw/zinc/24/04/31/291240431.db2.gz VZGGFUFEDKJLSU-WMZOPIPTSA-N 1 2 411.437 3.451 40 0 biogenic,in-vitro HGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](Cc2cccnc2)C1 ZINC000015674263 291245940 /nfs/dbraw/zinc/24/59/40/291245940.db2.gz DOHVFMLYDMPSPF-ZBFHGGJFSA-N 1 2 406.364 3.338 40 0 biogenic,in-vitro HGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](Cc2cccnc2)C1 ZINC000015674263 291245941 /nfs/dbraw/zinc/24/59/41/291245941.db2.gz DOHVFMLYDMPSPF-ZBFHGGJFSA-N 1 2 406.364 3.338 40 0 biogenic,in-vitro HGABLO CCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3[nH+]cccc3C)cn2)CC1 ZINC000072374206 520774441 /nfs/dbraw/zinc/77/44/41/520774441.db2.gz IVYWWTTYWHDMNT-UHFFFAOYSA-N 1 2 403.552 3.295 40 0 HGABLO Cc1[nH+]c(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266822 526560244 /nfs/dbraw/zinc/56/02/44/526560244.db2.gz KYKXXGDRQHOBIJ-IBGZPJMESA-N 1 2 415.497 3.463 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035377984 557700891 /nfs/dbraw/zinc/70/08/91/557700891.db2.gz OFZSRVMXIITFEV-YUMYIRISSA-N 1 2 402.494 3.447 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035377984 557700894 /nfs/dbraw/zinc/70/08/94/557700894.db2.gz OFZSRVMXIITFEV-YUMYIRISSA-N 1 2 402.494 3.447 40 0 HGABLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cnn1C ZINC000019740578 558261350 /nfs/dbraw/zinc/26/13/50/558261350.db2.gz LUERWTDTQSMRJD-HXUWFJFHSA-N 1 2 410.566 3.489 40 0 HGABLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cnn1C ZINC000019740578 558261352 /nfs/dbraw/zinc/26/13/52/558261352.db2.gz LUERWTDTQSMRJD-HXUWFJFHSA-N 1 2 410.566 3.489 40 0 HGABLO COc1ccc(CNC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)c(OC)c1 ZINC000012116340 558328621 /nfs/dbraw/zinc/32/86/21/558328621.db2.gz WXTCYQBTVONANM-UHFFFAOYSA-N 1 2 408.502 3.123 40 0 HGABLO CCCn1c(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)nc2ccccc21 ZINC000012120701 558330545 /nfs/dbraw/zinc/33/05/45/558330545.db2.gz XLYLGNBTGDZZPP-UHFFFAOYSA-N 1 2 400.486 3.150 40 0 HGABLO CCCn1c(C[N@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)nc2ccccc21 ZINC000012120701 558330546 /nfs/dbraw/zinc/33/05/46/558330546.db2.gz XLYLGNBTGDZZPP-UHFFFAOYSA-N 1 2 400.486 3.150 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020492062 558378254 /nfs/dbraw/zinc/37/82/54/558378254.db2.gz CKHGTANYLZBMEB-UHFFFAOYSA-N 1 2 418.906 3.157 40 0 HGABLO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013709827 558575471 /nfs/dbraw/zinc/57/54/71/558575471.db2.gz FNQLVKJIDXDDRH-HNNXBMFYSA-N 1 2 402.878 3.180 40 0 HGABLO COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 ZINC000019079057 558838789 /nfs/dbraw/zinc/83/87/89/558838789.db2.gz XDNJWNOFZUCUIB-XXBNENTESA-N 1 2 404.514 3.387 40 0 HGABLO Cc1nc2c(c(N3CCC(O)(c4cccnc4)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286178 558860412 /nfs/dbraw/zinc/86/04/12/558860412.db2.gz FUXVYZHNKXTDRV-UHFFFAOYSA-N 1 2 415.541 3.226 40 0 HGABLO Cc1nc2c(c(N3CCC(O)(c4cccnc4)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286178 558860413 /nfs/dbraw/zinc/86/04/13/558860413.db2.gz FUXVYZHNKXTDRV-UHFFFAOYSA-N 1 2 415.541 3.226 40 0 HGABLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019462882 558894153 /nfs/dbraw/zinc/89/41/53/558894153.db2.gz YQJGKCSOWGUEQK-QAPCUYQASA-N 1 2 423.561 3.098 40 0 HGABLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019462882 558894154 /nfs/dbraw/zinc/89/41/54/558894154.db2.gz YQJGKCSOWGUEQK-QAPCUYQASA-N 1 2 423.561 3.098 40 0 HGABLO Cc1cc(C)n([C@H](C)CC(=O)N2CCN([C@H](c3[nH+]ccn3C)c3ccccc3)CC2)n1 ZINC000019572918 558931138 /nfs/dbraw/zinc/93/11/38/558931138.db2.gz FTTYGMQIQRFWHG-OFNKIYASSA-N 1 2 420.561 3.118 40 0 HGABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000072347269 558944286 /nfs/dbraw/zinc/94/42/86/558944286.db2.gz OMOBPWDJBRCLRH-KBPBESRZSA-N 1 2 422.451 3.373 40 0 HGABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000072347269 558944287 /nfs/dbraw/zinc/94/42/87/558944287.db2.gz OMOBPWDJBRCLRH-KBPBESRZSA-N 1 2 422.451 3.373 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@@H+](CC(=O)NC(C)C)C3)c(=O)c2c1C ZINC000072347710 558944745 /nfs/dbraw/zinc/94/47/45/558944745.db2.gz MBTPQZQMPWDIOY-MRXNPFEDSA-N 1 2 404.580 3.360 40 0 HGABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@H+](CC(=O)NC(C)C)C3)c(=O)c2c1C ZINC000072347710 558944748 /nfs/dbraw/zinc/94/47/48/558944748.db2.gz MBTPQZQMPWDIOY-MRXNPFEDSA-N 1 2 404.580 3.360 40 0 HGABLO CNc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2F)nc2c1C[N@H+](C)CC2 ZINC000072372331 558959613 /nfs/dbraw/zinc/95/96/13/558959613.db2.gz FBLMWOALAYOFEP-HXUWFJFHSA-N 1 2 411.525 3.332 40 0 HGABLO CNc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2F)nc2c1C[N@@H+](C)CC2 ZINC000072372331 558959617 /nfs/dbraw/zinc/95/96/17/558959617.db2.gz FBLMWOALAYOFEP-HXUWFJFHSA-N 1 2 411.525 3.332 40 0 HGABLO COCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)C[N@H+](C)CC3)cc1 ZINC000019710283 558972027 /nfs/dbraw/zinc/97/20/27/558972027.db2.gz MDCPPCNGHWLZRR-NRFANRHFSA-N 1 2 423.561 3.044 40 0 HGABLO COCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)C[N@@H+](C)CC3)cc1 ZINC000019710283 558972029 /nfs/dbraw/zinc/97/20/29/558972029.db2.gz MDCPPCNGHWLZRR-NRFANRHFSA-N 1 2 423.561 3.044 40 0 HGABLO Cn1c[nH+]c([C@H]2C[C@@]3(CN2C(=O)Cc2cccc(F)c2)CCCN(CC2CC2)C3=O)c1 ZINC000585106397 559028771 /nfs/dbraw/zinc/02/87/71/559028771.db2.gz AAJJVECZAFGUIZ-ZJSXRUAMSA-N 1 2 424.520 3.094 40 0 HGABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000585111149 559031735 /nfs/dbraw/zinc/03/17/35/559031735.db2.gz GSHMLBWWTPQXHZ-UHFFFAOYSA-N 1 2 405.454 3.124 40 0 HGABLO Cc1cccnc1Nc1cc(C[C@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)ncn1 ZINC000585292280 559124728 /nfs/dbraw/zinc/12/47/28/559124728.db2.gz ZSVOSDUUUKEDMN-DKRLNXSXSA-N 1 2 403.490 3.141 40 0 HGABLO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[nH]n4c2=O)C3)cc1OC ZINC000100219497 559132166 /nfs/dbraw/zinc/13/21/66/559132166.db2.gz WPLSYMSMHCIONS-DLBZAZTESA-N 1 2 408.502 3.282 40 0 HGABLO CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[nH]n4c2=O)C3)cc1OC ZINC000100219497 559132168 /nfs/dbraw/zinc/13/21/68/559132168.db2.gz WPLSYMSMHCIONS-DLBZAZTESA-N 1 2 408.502 3.282 40 0 HGABLO COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000103531048 559156208 /nfs/dbraw/zinc/15/62/08/559156208.db2.gz PPKBCXDRJPIAHD-ZRNYENFQSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000103531048 559156209 /nfs/dbraw/zinc/15/62/09/559156209.db2.gz PPKBCXDRJPIAHD-ZRNYENFQSA-N 1 2 424.884 3.184 40 0 HGABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](Cc3cncnc3)C[C@H]21 ZINC000514290300 560029597 /nfs/dbraw/zinc/02/95/97/560029597.db2.gz XNAQOAVJWXNOLB-IRLDBZIGSA-N 1 2 422.435 3.139 40 0 biogenic,in-vitro HGABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](Cc3cncnc3)C[C@H]21 ZINC000514290300 560029600 /nfs/dbraw/zinc/02/96/00/560029600.db2.gz XNAQOAVJWXNOLB-IRLDBZIGSA-N 1 2 422.435 3.139 40 0 biogenic,in-vitro HGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000000892908 560543122 /nfs/dbraw/zinc/54/31/22/560543122.db2.gz XWXJQOHCVPXFRR-HXUWFJFHSA-N 1 2 408.506 3.214 40 0 HGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000000893467 560543288 /nfs/dbraw/zinc/54/32/88/560543288.db2.gz VADMZIUIDPUUNL-QFIPXVFZSA-N 1 2 414.513 3.311 40 0 HGABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000892603 560543360 /nfs/dbraw/zinc/54/33/60/560543360.db2.gz HLNOXVPRRROFAL-JOCHJYFZSA-N 1 2 414.513 3.447 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000005444259 560737693 /nfs/dbraw/zinc/73/76/93/560737693.db2.gz GEZQCTLFWVYDGB-QRWLVFNGSA-N 1 2 424.549 3.490 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000005444259 560737694 /nfs/dbraw/zinc/73/76/94/560737694.db2.gz GEZQCTLFWVYDGB-QRWLVFNGSA-N 1 2 424.549 3.490 40 0 HGABLO Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)cc1 ZINC000219248857 568488528 /nfs/dbraw/zinc/48/85/28/568488528.db2.gz CPHDKKYHCUYIHL-UHFFFAOYSA-N 1 2 406.486 3.149 40 0 HGABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670942 568495066 /nfs/dbraw/zinc/49/50/66/568495066.db2.gz ZGHADICUHCCZLG-NRFANRHFSA-N 1 2 410.497 3.142 40 0 HGABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)CC2)cc1 ZINC000219855817 568499227 /nfs/dbraw/zinc/49/92/27/568499227.db2.gz LUXSRRJBLPGXFT-UHFFFAOYSA-N 1 2 401.532 3.246 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@]12CCCO2 ZINC000257202171 568776772 /nfs/dbraw/zinc/77/67/72/568776772.db2.gz AKTIOZUGYUPCOF-GHTZIAJQSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@]12CCCO2 ZINC000257202171 568776774 /nfs/dbraw/zinc/77/67/74/568776774.db2.gz AKTIOZUGYUPCOF-GHTZIAJQSA-N 1 2 419.522 3.081 40 0 HGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257202837 568776909 /nfs/dbraw/zinc/77/69/09/568776909.db2.gz ANQLDVJVVOFZMA-ICSRJNTNSA-N 1 2 419.319 3.292 40 0 HGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257202837 568776912 /nfs/dbraw/zinc/77/69/12/568776912.db2.gz ANQLDVJVVOFZMA-ICSRJNTNSA-N 1 2 419.319 3.292 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@@]12CCCO2 ZINC000257221012 568782257 /nfs/dbraw/zinc/78/22/57/568782257.db2.gz DNDZKCHTJJVTPY-RXVVDRJESA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@@]12CCCO2 ZINC000257221012 568782259 /nfs/dbraw/zinc/78/22/59/568782259.db2.gz DNDZKCHTJJVTPY-RXVVDRJESA-N 1 2 401.532 3.327 40 0 HGABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000257222401 568782817 /nfs/dbraw/zinc/78/28/17/568782817.db2.gz DTDHQYDNNLFCMO-OAQYLSRUSA-N 1 2 415.925 3.475 40 0 HGABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000257222401 568782819 /nfs/dbraw/zinc/78/28/19/568782819.db2.gz DTDHQYDNNLFCMO-OAQYLSRUSA-N 1 2 415.925 3.475 40 0 HGABLO Cc1cccc([C@]2(C(N)=O)CCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257280561 568798688 /nfs/dbraw/zinc/79/86/88/568798688.db2.gz OLJPRYQERCICNS-DEOSSOPVSA-N 1 2 402.498 3.341 40 0 HGABLO Cc1cccc([C@]2(C(N)=O)CCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257280561 568798690 /nfs/dbraw/zinc/79/86/90/568798690.db2.gz OLJPRYQERCICNS-DEOSSOPVSA-N 1 2 402.498 3.341 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@]12CCCO2 ZINC000257329626 568812998 /nfs/dbraw/zinc/81/29/98/568812998.db2.gz XKTLYFYXNQXFBZ-RXVVDRJESA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@]12CCCO2 ZINC000257329626 568812999 /nfs/dbraw/zinc/81/29/99/568812999.db2.gz XKTLYFYXNQXFBZ-RXVVDRJESA-N 1 2 419.522 3.081 40 0 HGABLO CCOc1ccccc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364552 568819599 /nfs/dbraw/zinc/81/95/99/568819599.db2.gz MDAZRIWBKLNHJG-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@@H]3Oc2ccc(C)cc2)cc1 ZINC000306123820 568886741 /nfs/dbraw/zinc/88/67/41/568886741.db2.gz AXWJJMJYGUARFQ-FSSWDIPSSA-N 1 2 401.528 3.070 40 0 HGABLO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@@H]3Oc2ccc(C)cc2)cc1 ZINC000306123820 568886743 /nfs/dbraw/zinc/88/67/43/568886743.db2.gz AXWJJMJYGUARFQ-FSSWDIPSSA-N 1 2 401.528 3.070 40 0 HGABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306128889 568891717 /nfs/dbraw/zinc/89/17/17/568891717.db2.gz HNTRAJRNQIBZBH-QFIPXVFZSA-N 1 2 402.477 3.419 40 0 HGABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 ZINC000306128889 568891719 /nfs/dbraw/zinc/89/17/19/568891719.db2.gz HNTRAJRNQIBZBH-QFIPXVFZSA-N 1 2 402.477 3.419 40 0 HGABLO Fc1ccc(C[N@@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cc1 ZINC000306129365 568891809 /nfs/dbraw/zinc/89/18/09/568891809.db2.gz IBIZQYBUGPVOIO-LJQANCHMSA-N 1 2 419.464 3.005 40 0 HGABLO Fc1ccc(C[N@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cc1 ZINC000306129365 568891811 /nfs/dbraw/zinc/89/18/11/568891811.db2.gz IBIZQYBUGPVOIO-LJQANCHMSA-N 1 2 419.464 3.005 40 0 HGABLO COc1ncccc1C[N@@H+]1CCN(C)[C@@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306129198 568891883 /nfs/dbraw/zinc/89/18/83/568891883.db2.gz HXHYXCIZJLGZMO-JOCHJYFZSA-N 1 2 414.513 3.289 40 0 HGABLO COc1ncccc1C[N@H+]1CCN(C)[C@@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306129198 568891885 /nfs/dbraw/zinc/89/18/85/568891885.db2.gz HXHYXCIZJLGZMO-JOCHJYFZSA-N 1 2 414.513 3.289 40 0 HGABLO Cc1cccc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306131713 568893864 /nfs/dbraw/zinc/89/38/64/568893864.db2.gz KNPKCJBLNKOARM-UHFFFAOYSA-N 1 2 419.504 3.470 40 0 HGABLO Cc1cccc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306131713 568893865 /nfs/dbraw/zinc/89/38/65/568893865.db2.gz KNPKCJBLNKOARM-UHFFFAOYSA-N 1 2 419.504 3.470 40 0 HGABLO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5cccnc5)CC4)nccn23)c1 ZINC000306133471 568895599 /nfs/dbraw/zinc/89/55/99/568895599.db2.gz MMINUIHRUDMBKI-UHFFFAOYSA-N 1 2 400.486 3.122 40 0 HGABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306136228 568897980 /nfs/dbraw/zinc/89/79/80/568897980.db2.gz PNNBQELDCGKANH-XXBNENTESA-N 1 2 420.490 3.233 40 0 HGABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306136228 568897983 /nfs/dbraw/zinc/89/79/83/568897983.db2.gz PNNBQELDCGKANH-XXBNENTESA-N 1 2 420.490 3.233 40 0 HGABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccs1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306137850 568899816 /nfs/dbraw/zinc/89/98/16/568899816.db2.gz RIFOIOHLTQWTOS-UHFFFAOYSA-N 1 2 422.620 3.143 40 0 HGABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccs1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306137850 568899818 /nfs/dbraw/zinc/89/98/18/568899818.db2.gz RIFOIOHLTQWTOS-UHFFFAOYSA-N 1 2 422.620 3.143 40 0 HGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306140223 568902195 /nfs/dbraw/zinc/90/21/95/568902195.db2.gz UNHUNLMPYNPRES-WMZHIEFXSA-N 1 2 420.490 3.233 40 0 HGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306140223 568902196 /nfs/dbraw/zinc/90/21/96/568902196.db2.gz UNHUNLMPYNPRES-WMZHIEFXSA-N 1 2 420.490 3.233 40 0 HGABLO COc1ncccc1C[N@@H+]1CCN(C)[C@@H](c2nnn3cc(-c4ccsc4)ccc23)C1 ZINC000306140694 568902536 /nfs/dbraw/zinc/90/25/36/568902536.db2.gz VBAGWVQTPOCFKT-HXUWFJFHSA-N 1 2 420.542 3.350 40 0 HGABLO COc1ncccc1C[N@H+]1CCN(C)[C@@H](c2nnn3cc(-c4ccsc4)ccc23)C1 ZINC000306140694 568902539 /nfs/dbraw/zinc/90/25/39/568902539.db2.gz VBAGWVQTPOCFKT-HXUWFJFHSA-N 1 2 420.542 3.350 40 0 HGABLO O=C(NCc1cccnc1)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306140781 568902578 /nfs/dbraw/zinc/90/25/78/568902578.db2.gz VEELFTIPGJJTRA-OAQYLSRUSA-N 1 2 412.497 3.391 40 0 HGABLO O=C(NCc1cccnc1)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306140781 568902580 /nfs/dbraw/zinc/90/25/80/568902580.db2.gz VEELFTIPGJJTRA-OAQYLSRUSA-N 1 2 412.497 3.391 40 0 HGABLO CNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329056125 568974922 /nfs/dbraw/zinc/97/49/22/568974922.db2.gz VRHRYNQOXVKRMV-UHFFFAOYSA-N 1 2 404.348 3.400 40 0 HGABLO O=S1(=O)C[C@H](O)[C@H]([N@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575423367 569026403 /nfs/dbraw/zinc/02/64/03/569026403.db2.gz ZYFOLGCUEUKEHV-PKTZIBPZSA-N 1 2 407.535 3.436 40 0 HGABLO O=S1(=O)C[C@H](O)[C@H]([N@@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575423367 569026404 /nfs/dbraw/zinc/02/64/04/569026404.db2.gz ZYFOLGCUEUKEHV-PKTZIBPZSA-N 1 2 407.535 3.436 40 0 HGABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245230026 569313824 /nfs/dbraw/zinc/31/38/24/569313824.db2.gz KIGAHMOFTZZRJP-ZBNTXBBCSA-N 1 2 406.482 3.075 40 0 HGABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000012184780 569344619 /nfs/dbraw/zinc/34/46/19/569344619.db2.gz BLVPILPYUBVKCQ-CQSZACIVSA-N 1 2 409.509 3.493 40 0 HGABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000012184780 569344620 /nfs/dbraw/zinc/34/46/20/569344620.db2.gz BLVPILPYUBVKCQ-CQSZACIVSA-N 1 2 409.509 3.493 40 0 HGABLO COCCCn1c2nnc(SCc3cn4ccccc4[nH+]3)n2c2ccccc2c1=O ZINC000009608405 569393700 /nfs/dbraw/zinc/39/37/00/569393700.db2.gz NUHZQWWDLZSWME-UHFFFAOYSA-N 1 2 420.498 3.021 40 0 HGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1cccs1 ZINC000015676484 291236140 /nfs/dbraw/zinc/23/61/40/291236140.db2.gz MZGOCRARPNPKFZ-INIZCTEOSA-N 1 2 415.902 3.386 40 0 biogenic,in-vitro HGABLO O=C(NCc1ccco1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000012530214 291243590 /nfs/dbraw/zinc/24/35/90/291243590.db2.gz ABGGYRSRQRRRBX-SFHVURJKSA-N 1 2 404.392 3.265 40 0 biogenic,in-vitro HGABLO O=C(NCc1ccco1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000012530214 291243593 /nfs/dbraw/zinc/24/35/93/291243593.db2.gz ABGGYRSRQRRRBX-SFHVURJKSA-N 1 2 404.392 3.265 40 0 biogenic,in-vitro HGABLO CC[NH+]1CCN(S(=O)(=O)c2cc(Br)c3cccc4c3c2CC4)CC1 ZINC000041105693 521690665 /nfs/dbraw/zinc/69/06/65/521690665.db2.gz IAALWFJPEMIRBZ-UHFFFAOYSA-N 1 2 409.349 3.027 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035349293 557528680 /nfs/dbraw/zinc/52/86/80/557528680.db2.gz CEAHITVAIUOWIK-YSTOQKLRSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035349293 557528681 /nfs/dbraw/zinc/52/86/81/557528681.db2.gz CEAHITVAIUOWIK-YSTOQKLRSA-N 1 2 408.885 3.484 40 0 HGABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(C)s2)c(OC)c1 ZINC000408628468 557562636 /nfs/dbraw/zinc/56/26/36/557562636.db2.gz XXQZRIUYMPHGRC-GOSISDBHSA-N 1 2 411.487 3.246 40 0 HGABLO Cc1c(C[N@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cnn1C ZINC000019740576 558261357 /nfs/dbraw/zinc/26/13/57/558261357.db2.gz LUERWTDTQSMRJD-FQEVSTJZSA-N 1 2 410.566 3.489 40 0 HGABLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cnn1C ZINC000019740576 558261359 /nfs/dbraw/zinc/26/13/59/558261359.db2.gz LUERWTDTQSMRJD-FQEVSTJZSA-N 1 2 410.566 3.489 40 0 HGABLO O=C(C[NH+]1CCC(O)(Cn2cnc3ccccc32)CC1)c1c[nH]c2ccc(F)cc12 ZINC000012088162 558322797 /nfs/dbraw/zinc/32/27/97/558322797.db2.gz VDLCWUYYKHCOHG-UHFFFAOYSA-N 1 2 406.461 3.367 40 0 HGABLO COc1cc2c(cc1C[N@@H+]1CCc3c(nc(-c4ccncc4)[nH]c3=O)C1)CCCC2 ZINC000012142897 558334964 /nfs/dbraw/zinc/33/49/64/558334964.db2.gz CLVJANXXSFIUDA-UHFFFAOYSA-N 1 2 402.498 3.278 40 0 HGABLO COc1cc2c(cc1C[N@H+]1CCc3c(nc(-c4ccncc4)[nH]c3=O)C1)CCCC2 ZINC000012142897 558334966 /nfs/dbraw/zinc/33/49/66/558334966.db2.gz CLVJANXXSFIUDA-UHFFFAOYSA-N 1 2 402.498 3.278 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020462153 558373516 /nfs/dbraw/zinc/37/35/16/558373516.db2.gz BISJWQDORLNSIS-UHFFFAOYSA-N 1 2 418.906 3.157 40 0 HGABLO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000036616580 558730925 /nfs/dbraw/zinc/73/09/25/558730925.db2.gz JSYLPYGQCBZFFD-UHFFFAOYSA-N 1 2 404.518 3.072 40 0 HGABLO Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000016269282 558782781 /nfs/dbraw/zinc/78/27/81/558782781.db2.gz IRIGFFMAVZMVEX-UHFFFAOYSA-N 1 2 413.543 3.028 40 0 HGABLO Clc1ccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2cccnc2)cc1 ZINC000035312284 558789776 /nfs/dbraw/zinc/78/97/76/558789776.db2.gz ZVZPFRJBSAPASE-UHFFFAOYSA-N 1 2 401.923 3.407 40 0 HGABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Br ZINC000038753901 558814165 /nfs/dbraw/zinc/81/41/65/558814165.db2.gz YVMMMUDHWUUKRZ-UHFFFAOYSA-N 1 2 422.304 3.122 40 0 HGABLO O=C(NCc1noc(-c2ccc(Cl)cc2)n1)c1ccccc1C[NH+]1CCOCC1 ZINC000019349191 558874894 /nfs/dbraw/zinc/87/48/94/558874894.db2.gz QZUOLLWHZBJCQV-UHFFFAOYSA-N 1 2 412.877 3.152 40 0 HGABLO C[C@@H](NC(=O)C[NH+]1CCN([C@@H](c2nccn2C)c2ccccc2)CC1)c1ccccc1 ZINC000019459469 558893056 /nfs/dbraw/zinc/89/30/56/558893056.db2.gz ZORJNFKYLPPABE-HYBUGGRVSA-N 1 2 417.557 3.005 40 0 HGABLO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1OC ZINC000019567070 558926449 /nfs/dbraw/zinc/92/64/49/558926449.db2.gz AAKDNJOXBDQGLQ-MRXNPFEDSA-N 1 2 404.532 3.190 40 0 HGABLO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1OC ZINC000019567070 558926452 /nfs/dbraw/zinc/92/64/52/558926452.db2.gz AAKDNJOXBDQGLQ-MRXNPFEDSA-N 1 2 404.532 3.190 40 0 HGABLO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1OC ZINC000019567073 558926523 /nfs/dbraw/zinc/92/65/23/558926523.db2.gz AAKDNJOXBDQGLQ-INIZCTEOSA-N 1 2 404.532 3.190 40 0 HGABLO COc1cc(C)c(C[N@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1OC ZINC000019567073 558926524 /nfs/dbraw/zinc/92/65/24/558926524.db2.gz AAKDNJOXBDQGLQ-INIZCTEOSA-N 1 2 404.532 3.190 40 0 HGABLO C[N@@H+]1CCN(C(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000019589362 558940117 /nfs/dbraw/zinc/94/01/17/558940117.db2.gz VMNRSYVWYOFWJS-LJQANCHMSA-N 1 2 411.889 3.122 40 0 HGABLO C[N@H+]1CCN(C(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000019589362 558940118 /nfs/dbraw/zinc/94/01/18/558940118.db2.gz VMNRSYVWYOFWJS-LJQANCHMSA-N 1 2 411.889 3.122 40 0 HGABLO O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)Nc1ncc(Cc2ccccc2)s1 ZINC000019657910 558949924 /nfs/dbraw/zinc/94/99/24/558949924.db2.gz RXZFKMMUSNHQFU-UHFFFAOYSA-N 1 2 407.543 3.280 40 0 HGABLO O=C(C[N@H+]1CCCN(c2ccccn2)CC1)Nc1ncc(Cc2ccccc2)s1 ZINC000019657910 558949928 /nfs/dbraw/zinc/94/99/28/558949928.db2.gz RXZFKMMUSNHQFU-UHFFFAOYSA-N 1 2 407.543 3.280 40 0 HGABLO CCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3cccc(C)[nH+]3)cn2)CC1 ZINC000072374205 558961766 /nfs/dbraw/zinc/96/17/66/558961766.db2.gz VDHXPMFCWGQKNA-UHFFFAOYSA-N 1 2 403.552 3.295 40 0 HGABLO CC[C@H](C(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1)[NH+]1CCOCC1 ZINC000072374358 558961982 /nfs/dbraw/zinc/96/19/82/558961982.db2.gz VDNGANSQENJPCF-JOCHJYFZSA-N 1 2 423.561 3.345 40 0 HGABLO COCC[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 ZINC000019695759 558964100 /nfs/dbraw/zinc/96/41/00/558964100.db2.gz PSLOJNKKWKVPOQ-IBGZPJMESA-N 1 2 410.518 3.056 40 0 HGABLO COCC[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 ZINC000019695759 558964102 /nfs/dbraw/zinc/96/41/02/558964102.db2.gz PSLOJNKKWKVPOQ-IBGZPJMESA-N 1 2 410.518 3.056 40 0 HGABLO O=C(C[NH+]1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1)Nc1ccccc1F ZINC000072383426 558969125 /nfs/dbraw/zinc/96/91/25/558969125.db2.gz ALKWPEGUEWYRDB-UHFFFAOYSA-N 1 2 421.480 3.043 40 0 HGABLO CNc1nc([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)nc2c1C[N@H+](C)CC2 ZINC000019710424 558972364 /nfs/dbraw/zinc/97/23/64/558972364.db2.gz HYWYPCJDAGLSIO-OAQYLSRUSA-N 1 2 423.561 3.201 40 0 HGABLO CNc1nc([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019710424 558972367 /nfs/dbraw/zinc/97/23/67/558972367.db2.gz HYWYPCJDAGLSIO-OAQYLSRUSA-N 1 2 423.561 3.201 40 0 HGABLO COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@@H](Cn5cc[nH+]c5)C4)cnn32)cc1 ZINC000019719035 558982707 /nfs/dbraw/zinc/98/27/07/558982707.db2.gz HWRMKUXNQQFSQE-KRWDZBQOSA-N 1 2 416.485 3.154 40 0 HGABLO O=C(NCC[NH+]1CCOCC1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096147745 559098785 /nfs/dbraw/zinc/09/87/85/559098785.db2.gz OHGHBGJUVALSIZ-UHFFFAOYSA-N 1 2 418.453 3.212 40 0 HGABLO Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc2)n1 ZINC000585291096 559123611 /nfs/dbraw/zinc/12/36/11/559123611.db2.gz KCHNNULMXDWJOO-DBWMJRBXSA-N 1 2 403.490 3.375 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3cccc(Cl)c3C)C1=O)CC2 ZINC000102332204 559150010 /nfs/dbraw/zinc/15/00/10/559150010.db2.gz NVDKPSOQHMOHRC-SFHVURJKSA-N 1 2 414.889 3.356 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3cccc(Cl)c3C)C1=O)CC2 ZINC000102332204 559150011 /nfs/dbraw/zinc/15/00/11/559150011.db2.gz NVDKPSOQHMOHRC-SFHVURJKSA-N 1 2 414.889 3.356 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000911317 560546247 /nfs/dbraw/zinc/54/62/47/560546247.db2.gz HSSOZBOLGBRERQ-HXUWFJFHSA-N 1 2 424.549 3.490 40 0 HGABLO CCCn1c2ccccc2[nH+]c1N1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000004858109 560612167 /nfs/dbraw/zinc/61/21/67/560612167.db2.gz TUQPLNPXXXJEMD-UHFFFAOYSA-N 1 2 419.529 3.410 40 0 HGABLO CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505131 560812836 /nfs/dbraw/zinc/81/28/36/560812836.db2.gz LQZUDICJWOKUNR-HXUWFJFHSA-N 1 2 420.517 3.114 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000019502075 560873856 /nfs/dbraw/zinc/87/38/56/560873856.db2.gz GDKMBQIZOMERJG-WCLQXYBISA-N 1 2 416.474 3.049 40 0 HGABLO COCCn1nnnc1[C@H](CC(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670076 568494611 /nfs/dbraw/zinc/49/46/11/568494611.db2.gz KUANIWDAXIUJFE-IBGZPJMESA-N 1 2 406.962 3.191 40 0 HGABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000101242165 568506894 /nfs/dbraw/zinc/50/68/94/568506894.db2.gz DNFVZNPHOQSYCX-WTGUMLROSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000101242165 568506896 /nfs/dbraw/zinc/50/68/96/568506896.db2.gz DNFVZNPHOQSYCX-WTGUMLROSA-N 1 2 408.885 3.484 40 0 HGABLO O=C(Cc1cccc(Br)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225614348 568657280 /nfs/dbraw/zinc/65/72/80/568657280.db2.gz JNBUWCUGHFQHJK-UHFFFAOYSA-N 1 2 417.303 3.065 40 0 HGABLO COc1ccc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)oc2c1 ZINC000226043576 568691672 /nfs/dbraw/zinc/69/16/72/568691672.db2.gz WLCBEPMSUNIPJP-VMPITWQZSA-N 1 2 404.466 3.273 40 0 HGABLO CCCc1ccc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)o1 ZINC000257206124 568777846 /nfs/dbraw/zinc/77/78/46/568777846.db2.gz BBYXSCAHFJOGSV-OAQYLSRUSA-N 1 2 406.910 3.411 40 0 HGABLO CCCc1ccc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)o1 ZINC000257206124 568777847 /nfs/dbraw/zinc/77/78/47/568777847.db2.gz BBYXSCAHFJOGSV-OAQYLSRUSA-N 1 2 406.910 3.411 40 0 HGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257233705 568785793 /nfs/dbraw/zinc/78/57/93/568785793.db2.gz GQIGNOWJNZAJOQ-RXVVDRJESA-N 1 2 406.429 3.131 40 0 HGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257233705 568785795 /nfs/dbraw/zinc/78/57/95/568785795.db2.gz GQIGNOWJNZAJOQ-RXVVDRJESA-N 1 2 406.429 3.131 40 0 HGABLO Cc1nc(N2CCC[C@@](C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)C2)cc[nH+]1 ZINC000257290695 568801708 /nfs/dbraw/zinc/80/17/08/568801708.db2.gz QDZFNVHKHONLEP-OAQYLSRUSA-N 1 2 410.547 3.237 40 0 HGABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@]12CCCO2 ZINC000257304165 568805751 /nfs/dbraw/zinc/80/57/51/568805751.db2.gz SKHLZCNADBQGMP-XLIONFOSSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@]12CCCO2 ZINC000257304165 568805752 /nfs/dbraw/zinc/80/57/52/568805752.db2.gz SKHLZCNADBQGMP-XLIONFOSSA-N 1 2 405.495 3.158 40 0 HGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1Oc1ccccc1 ZINC000257315203 568808775 /nfs/dbraw/zinc/80/87/75/568808775.db2.gz VAJISGWISPZYQZ-RXVVDRJESA-N 1 2 406.429 3.131 40 0 HGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1Oc1ccccc1 ZINC000257315203 568808776 /nfs/dbraw/zinc/80/87/76/568808776.db2.gz VAJISGWISPZYQZ-RXVVDRJESA-N 1 2 406.429 3.131 40 0 HGABLO Cc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nncs4)cc(C)[nH+]3)C2)s1 ZINC000257315687 568809061 /nfs/dbraw/zinc/80/90/61/568809061.db2.gz VCKVOVBFDZRDTF-HNNXBMFYSA-N 1 2 416.532 3.272 40 0 HGABLO Cc1cc(Nc2[nH+]cccc2C)cc([C@@H]2CN(CC(=O)N3CCC(C)CC3)CCO2)n1 ZINC000257317073 568809472 /nfs/dbraw/zinc/80/94/72/568809472.db2.gz VIGDJAYRUBXPBM-QFIPXVFZSA-N 1 2 423.561 3.469 40 0 HGABLO COc1ccc(CCC(=O)N2CC[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1 ZINC000257322083 568811110 /nfs/dbraw/zinc/81/11/10/568811110.db2.gz WENRSAZUOXHECE-SFHVURJKSA-N 1 2 403.486 3.078 40 0 HGABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(C)n1 ZINC000261362800 568819382 /nfs/dbraw/zinc/81/93/82/568819382.db2.gz FEFARDCAXWJSON-FQEVSTJZSA-O 1 2 408.507 3.256 40 0 HGABLO CCOc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261366288 568819709 /nfs/dbraw/zinc/81/97/09/568819709.db2.gz YPNZVILCFNTHAR-FQEVSTJZSA-O 1 2 409.491 3.171 40 0 HGABLO Cc1[nH+]c2c(n1C(C)C)CN(C(=O)c1ccco1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306125666 568888356 /nfs/dbraw/zinc/88/83/56/568888356.db2.gz CXIVUYJCVGFRRH-UHFFFAOYSA-N 1 2 413.522 3.037 40 0 HGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4cccnc4)CCN3C)nnn2c1 ZINC000306126717 568889612 /nfs/dbraw/zinc/88/96/12/568889612.db2.gz FDFAOBXIQNIAKO-QFIPXVFZSA-N 1 2 414.513 3.289 40 0 HGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4cccnc4)CCN3C)nnn2c1 ZINC000306126717 568889613 /nfs/dbraw/zinc/88/96/13/568889613.db2.gz FDFAOBXIQNIAKO-QFIPXVFZSA-N 1 2 414.513 3.289 40 0 HGABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000306129532 568892092 /nfs/dbraw/zinc/89/20/92/568892092.db2.gz IGFPYTMPIBIHMQ-UHFFFAOYSA-N 1 2 411.506 3.223 40 0 HGABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000306129532 568892093 /nfs/dbraw/zinc/89/20/93/568892093.db2.gz IGFPYTMPIBIHMQ-UHFFFAOYSA-N 1 2 411.506 3.223 40 0 HGABLO O=S(=O)(c1ccc(F)cc1)N1CCC[C@@]2(C[N@H+](Cc3cccs3)CCO2)CC1 ZINC000306130858 568893093 /nfs/dbraw/zinc/89/30/93/568893093.db2.gz JRISUMZOPUEWMG-FQEVSTJZSA-N 1 2 424.563 3.333 40 0 HGABLO O=S(=O)(c1ccc(F)cc1)N1CCC[C@@]2(C[N@@H+](Cc3cccs3)CCO2)CC1 ZINC000306130858 568893096 /nfs/dbraw/zinc/89/30/96/568893096.db2.gz JRISUMZOPUEWMG-FQEVSTJZSA-N 1 2 424.563 3.333 40 0 HGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306134785 568896702 /nfs/dbraw/zinc/89/67/02/568896702.db2.gz NYELOIWEQSIPDP-HYBUGGRVSA-N 1 2 424.520 3.471 40 0 HGABLO c1cc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)co1 ZINC000306138121 568900079 /nfs/dbraw/zinc/90/00/79/568900079.db2.gz RPVKGBMPHFTJHH-JOCHJYFZSA-N 1 2 421.545 3.033 40 0 HGABLO c1cc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)co1 ZINC000306138121 568900081 /nfs/dbraw/zinc/90/00/81/568900081.db2.gz RPVKGBMPHFTJHH-JOCHJYFZSA-N 1 2 421.545 3.033 40 0 HGABLO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306142565 568904264 /nfs/dbraw/zinc/90/42/64/568904264.db2.gz XDIUEFNZKNEEFT-FPOVZHCZSA-N 1 2 409.486 3.346 40 0 HGABLO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)n1 ZINC000306142565 568904265 /nfs/dbraw/zinc/90/42/65/568904265.db2.gz XDIUEFNZKNEEFT-FPOVZHCZSA-N 1 2 409.486 3.346 40 0 HGABLO C[C@@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328967231 568970266 /nfs/dbraw/zinc/97/02/66/568970266.db2.gz CRONMRRFOLDNLW-ZDUSSCGKSA-N 1 2 404.392 3.422 40 0 HGABLO C[C@@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328979155 568971025 /nfs/dbraw/zinc/97/10/25/568971025.db2.gz GDFKFYILRFOKHL-VIFPVBQESA-N 1 2 402.804 3.286 40 0 HGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000229932830 569287252 /nfs/dbraw/zinc/28/72/52/569287252.db2.gz BUKVTGGQIXTIFJ-YCFYUYSTSA-N 1 2 420.509 3.465 40 0 HGABLO CC[NH+]1CCN(C(=O)c2cc3c(nc(SC)nc3N3CCCCC3)s2)CC1 ZINC000007604227 569337880 /nfs/dbraw/zinc/33/78/80/569337880.db2.gz ZIDBBUFBLHQVKV-UHFFFAOYSA-N 1 2 405.593 3.181 40 0 HGABLO COc1ccc(OC)c(Cc2ccc([C@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)nc2)c1 ZINC000019692631 569346133 /nfs/dbraw/zinc/34/61/33/569346133.db2.gz LWYMDTXYQHBTDP-XMMPIXPASA-N 1 2 422.529 3.305 40 0 HGABLO COc1ccc(OC)c(Cc2ccc([C@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)nc2)c1 ZINC000019692631 569346134 /nfs/dbraw/zinc/34/61/34/569346134.db2.gz LWYMDTXYQHBTDP-XMMPIXPASA-N 1 2 422.529 3.305 40 0 HGABLO NC(=O)c1ccc(-c2nccnc2[C@H]2C[N@H+](Cc3ccccc3Cl)CCO2)cc1 ZINC000019693205 569346316 /nfs/dbraw/zinc/34/63/16/569346316.db2.gz DQQICTNYALVOJW-LJQANCHMSA-N 1 2 408.889 3.469 40 0 HGABLO NC(=O)c1ccc(-c2nccnc2[C@H]2C[N@@H+](Cc3ccccc3Cl)CCO2)cc1 ZINC000019693205 569346317 /nfs/dbraw/zinc/34/63/17/569346317.db2.gz DQQICTNYALVOJW-LJQANCHMSA-N 1 2 408.889 3.469 40 0 HGABLO O=C(NCC[NH+]1CCCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000026114332 569349937 /nfs/dbraw/zinc/34/99/37/569349937.db2.gz ZEVDCWFZVWLEMI-UHFFFAOYSA-N 1 2 407.561 3.155 40 0 HGABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Cl)c1O ZINC000261361662 569413444 /nfs/dbraw/zinc/41/34/44/569413444.db2.gz BFMZLAFWIMYAFP-INIZCTEOSA-O 1 2 403.871 3.199 40 0 HGABLO Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)n2)n1 ZINC000585290881 571308877 /nfs/dbraw/zinc/30/88/77/571308877.db2.gz GRQBTFGMRGOTHU-QZEKMECESA-N 1 2 403.490 3.722 40 0 HGABLO Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)C[N@@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019701388 571310571 /nfs/dbraw/zinc/31/05/71/571310571.db2.gz LTNYMDVJKXFRKE-QGZVFWFLSA-N 1 2 423.542 3.328 40 0 HGABLO Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)C[N@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019701388 571310572 /nfs/dbraw/zinc/31/05/72/571310572.db2.gz LTNYMDVJKXFRKE-QGZVFWFLSA-N 1 2 423.542 3.328 40 0 HGABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035425199 291236863 /nfs/dbraw/zinc/23/68/63/291236863.db2.gz YFSHOSVEUTUUQA-KRWDZBQOSA-N 1 2 423.473 3.256 40 0 biogenic,in-vitro HGABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035425199 291236866 /nfs/dbraw/zinc/23/68/66/291236866.db2.gz YFSHOSVEUTUUQA-KRWDZBQOSA-N 1 2 423.473 3.256 40 0 biogenic,in-vitro HGABLO O=C(Nc1cccc(F)c1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012530139 291244607 /nfs/dbraw/zinc/24/46/07/291244607.db2.gz ISZCHMZTTIANFF-KRWDZBQOSA-N 1 2 405.393 3.325 40 0 biogenic,in-vitro HGABLO O=C(Nc1cccc(F)c1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012530139 291244610 /nfs/dbraw/zinc/24/46/10/291244610.db2.gz ISZCHMZTTIANFF-KRWDZBQOSA-N 1 2 405.393 3.325 40 0 biogenic,in-vitro HGABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000013504895 536594021 /nfs/dbraw/zinc/59/40/21/536594021.db2.gz BQPXFKOKGOQZJH-QFIPXVFZSA-N 1 2 406.534 3.249 40 0 HGABLO COC(=O)c1c(NC(=O)CSCc2ccc(OC)cc2)sc2c1CC[N@H+](C)C2 ZINC000408574055 557477867 /nfs/dbraw/zinc/47/78/67/557477867.db2.gz HVZYTUAGUCSOAU-UHFFFAOYSA-N 1 2 420.556 3.403 40 0 HGABLO COC(=O)c1c(NC(=O)CSCc2ccc(OC)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408574055 557477871 /nfs/dbraw/zinc/47/78/71/557477871.db2.gz HVZYTUAGUCSOAU-UHFFFAOYSA-N 1 2 420.556 3.403 40 0 HGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CC[N@H+](C)C2 ZINC000408574601 557478384 /nfs/dbraw/zinc/47/83/84/557478384.db2.gz IXFISQOYMYKMBO-SOFGYWHQSA-N 1 2 416.499 3.192 40 0 HGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CC[N@@H+](C)C2 ZINC000408574601 557478389 /nfs/dbraw/zinc/47/83/89/557478389.db2.gz IXFISQOYMYKMBO-SOFGYWHQSA-N 1 2 416.499 3.192 40 0 HGABLO CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000004885767 557609859 /nfs/dbraw/zinc/60/98/59/557609859.db2.gz KIGAHMOFTZZRJP-XHOYROJHSA-N 1 2 406.482 3.075 40 0 HGABLO CCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035290731 557676249 /nfs/dbraw/zinc/67/62/49/557676249.db2.gz YGAKMUNXIZNJOQ-KRWDZBQOSA-N 1 2 412.460 3.002 40 0 HGABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccccc3N3CCOCC3)CC2)cc1 ZINC000035313965 557689632 /nfs/dbraw/zinc/68/96/32/557689632.db2.gz DBWUXTKYQAZEIQ-UHFFFAOYSA-N 1 2 421.541 3.365 40 0 HGABLO Cc1nn(C)c2nc(C3CCN(C(=O)Cc4c(C)[nH+]c5ccccn54)CC3)ccc12 ZINC000019744799 558265210 /nfs/dbraw/zinc/26/52/10/558265210.db2.gz LMHAPWHOSSQNGE-UHFFFAOYSA-N 1 2 402.502 3.182 40 0 HGABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764406 558277919 /nfs/dbraw/zinc/27/79/19/558277919.db2.gz MWPGIGLRINFPGV-NRFANRHFSA-N 1 2 422.508 3.315 40 0 HGABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764406 558277920 /nfs/dbraw/zinc/27/79/20/558277920.db2.gz MWPGIGLRINFPGV-NRFANRHFSA-N 1 2 422.508 3.315 40 0 HGABLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C)ncc3-c3cc(C)no3)C2)n1 ZINC000012118498 558329890 /nfs/dbraw/zinc/32/98/90/558329890.db2.gz JSFRIKFIZSXMST-HNNXBMFYSA-N 1 2 412.519 3.331 40 0 HGABLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H](c3nc(C)ncc3-c3cc(C)no3)C2)n1 ZINC000012118498 558329892 /nfs/dbraw/zinc/32/98/92/558329892.db2.gz JSFRIKFIZSXMST-HNNXBMFYSA-N 1 2 412.519 3.331 40 0 HGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000020635707 558395957 /nfs/dbraw/zinc/39/59/57/558395957.db2.gz QRDAILIWHBPQEN-INIZCTEOSA-N 1 2 416.485 3.267 40 0 HGABLO COc1ccccc1[C@@H]1NC2=[NH+]CN(Cc3ccco3)CN2c2nc3ccccc3n21 ZINC000020638546 558396901 /nfs/dbraw/zinc/39/69/01/558396901.db2.gz DSSVWEUQQXYIOS-OAQYLSRUSA-N 1 2 414.469 3.381 40 0 HGABLO CCn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)c2ccccc21 ZINC000022234519 558470186 /nfs/dbraw/zinc/47/01/86/558470186.db2.gz XRLAAAFOJKXRPS-DHZHZOJOSA-N 1 2 401.510 3.493 40 0 HGABLO C[NH+]1CCN(S(=O)(=O)c2cc(Br)c3cccc4c3c2CCC4)CC1 ZINC000036057237 558797341 /nfs/dbraw/zinc/79/73/41/558797341.db2.gz BTQYVNXLNOXFIG-UHFFFAOYSA-N 1 2 409.349 3.027 40 0 HGABLO C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019079097 558838744 /nfs/dbraw/zinc/83/87/44/558838744.db2.gz UZIBAIJZACQJMX-PGRDOPGGSA-N 1 2 422.504 3.260 40 0 HGABLO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019079078 558838796 /nfs/dbraw/zinc/83/87/96/558838796.db2.gz ROXDDMLFTRKKQE-GCJKJVERSA-N 1 2 422.504 3.260 40 0 HGABLO CC(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019085502 558841225 /nfs/dbraw/zinc/84/12/25/558841225.db2.gz YSXNOAKFEUXACK-MRXNPFEDSA-N 1 2 411.550 3.098 40 0 HGABLO CC(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019085502 558841226 /nfs/dbraw/zinc/84/12/26/558841226.db2.gz YSXNOAKFEUXACK-MRXNPFEDSA-N 1 2 411.550 3.098 40 0 HGABLO FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)n2)cc1 ZINC000019336971 558870378 /nfs/dbraw/zinc/87/03/78/558870378.db2.gz BPWCNQUJHOIATI-QGZVFWFLSA-N 1 2 410.440 3.442 40 0 HGABLO O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349396 558875228 /nfs/dbraw/zinc/87/52/28/558875228.db2.gz SGXKOPMQMRRSAI-NRFANRHFSA-N 1 2 424.520 3.321 40 0 HGABLO O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349396 558875229 /nfs/dbraw/zinc/87/52/29/558875229.db2.gz SGXKOPMQMRRSAI-NRFANRHFSA-N 1 2 424.520 3.321 40 0 HGABLO CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([NH3+])cc3-n3cnnc3)CC2)cc1 ZINC000070461831 558892190 /nfs/dbraw/zinc/89/21/90/558892190.db2.gz DBDOLVDVDDOQJP-UHFFFAOYSA-N 1 2 404.518 3.109 40 0 HGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000019502081 558899885 /nfs/dbraw/zinc/89/98/85/558899885.db2.gz VBMTZEQWPXOMBR-ORGXJRBJSA-N 1 2 412.511 3.300 40 0 HGABLO CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC[C@H]1c1nnc(SC)n1C ZINC000019523272 558904406 /nfs/dbraw/zinc/90/44/06/558904406.db2.gz DHQUPDFPYWISPW-YOEHRIQHSA-N 1 2 412.563 3.449 40 0 HGABLO CCn1c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2[nH+]c1C(C)C ZINC000019524250 558905535 /nfs/dbraw/zinc/90/55/35/558905535.db2.gz OPVUMZSRLXBZEW-UHFFFAOYSA-N 1 2 411.506 3.373 40 0 HGABLO CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)s1 ZINC000019526519 558907712 /nfs/dbraw/zinc/90/77/12/558907712.db2.gz JPCGJWRSPYGNBK-SFHVURJKSA-N 1 2 410.547 3.472 40 0 HGABLO CCN(CC)c1ncc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)s1 ZINC000019526519 558907713 /nfs/dbraw/zinc/90/77/13/558907713.db2.gz JPCGJWRSPYGNBK-SFHVURJKSA-N 1 2 410.547 3.472 40 0 HGABLO Cc1cc(C)n([C@H](C)CC(=O)N2CCN([C@@H](c3[nH+]ccn3C)c3ccccc3)CC2)n1 ZINC000019572922 558931093 /nfs/dbraw/zinc/93/10/93/558931093.db2.gz FTTYGMQIQRFWHG-NFBKMPQASA-N 1 2 420.561 3.118 40 0 HGABLO Cc1cc(C)n([C@@H](C)CC(=O)N2CCN([C@@H](c3[nH+]ccn3C)c3ccccc3)CC2)n1 ZINC000019572921 558931145 /nfs/dbraw/zinc/93/11/45/558931145.db2.gz FTTYGMQIQRFWHG-NZQKXSOJSA-N 1 2 420.561 3.118 40 0 HGABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353311 558950226 /nfs/dbraw/zinc/95/02/26/558950226.db2.gz OVNWPIDBYAWUQD-QGZVFWFLSA-N 1 2 403.552 3.295 40 0 HGABLO COc1cccc(-c2cncc([C@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072359418 558955019 /nfs/dbraw/zinc/95/50/19/558955019.db2.gz RITPDLLERZFTLR-INIZCTEOSA-N 1 2 409.515 3.427 40 0 HGABLO COc1cccc(-c2cncc([C@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072359418 558955020 /nfs/dbraw/zinc/95/50/20/558955020.db2.gz RITPDLLERZFTLR-INIZCTEOSA-N 1 2 409.515 3.427 40 0 HGABLO CC(C)(C)c1[nH]c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2[nH+]1 ZINC000019665720 558955803 /nfs/dbraw/zinc/95/58/03/558955803.db2.gz VRNPGVXKVXFSCV-QHCPKHFHSA-N 1 2 419.485 3.266 40 0 HGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000072374646 558962514 /nfs/dbraw/zinc/96/25/14/558962514.db2.gz ZYSLAJOFWGUCIS-SFHVURJKSA-N 1 2 416.481 3.435 40 0 HGABLO Cc1ccc(CC(=O)N2C[C@@]3(C[C@@H]2c2cn(C)c[nH+]2)CCCN(CC2CC2)C3=O)cc1 ZINC000585106492 559028799 /nfs/dbraw/zinc/02/87/99/559028799.db2.gz VZEWFIMWZYXMHE-RDGATRHJSA-N 1 2 420.557 3.263 40 0 HGABLO COc1cccc(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2C(=O)c2cccnc2)c1 ZINC000096147273 559098411 /nfs/dbraw/zinc/09/84/11/559098411.db2.gz QUARDYXSBHPEDB-NRFANRHFSA-N 1 2 419.485 3.246 40 0 HGABLO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2nccs2)C3)cc1 ZINC000096215803 559101798 /nfs/dbraw/zinc/10/17/98/559101798.db2.gz MNBJIHHOQGHUID-FQEVSTJZSA-N 1 2 405.589 3.382 40 0 HGABLO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2nccs2)C3)cc1 ZINC000096215803 559101800 /nfs/dbraw/zinc/10/18/00/559101800.db2.gz MNBJIHHOQGHUID-FQEVSTJZSA-N 1 2 405.589 3.382 40 0 HGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000892806 560543040 /nfs/dbraw/zinc/54/30/40/560543040.db2.gz SEHXXKRVAIZRMN-HXUWFJFHSA-N 1 2 408.506 3.214 40 0 HGABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000892601 560543377 /nfs/dbraw/zinc/54/33/77/560543377.db2.gz HLNOXVPRRROFAL-QFIPXVFZSA-N 1 2 414.513 3.447 40 0 HGABLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1N1CCOCC1 ZINC000004858900 560612603 /nfs/dbraw/zinc/61/26/03/560612603.db2.gz IHHKZSBZESLSIV-UHFFFAOYSA-N 1 2 407.514 3.057 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCCC1 ZINC000008677484 560638030 /nfs/dbraw/zinc/63/80/30/560638030.db2.gz FPNQLYNCFFBWQL-LJQANCHMSA-N 1 2 424.505 3.376 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCCC1 ZINC000008677485 560638033 /nfs/dbraw/zinc/63/80/33/560638033.db2.gz FPNQLYNCFFBWQL-IBGZPJMESA-N 1 2 424.505 3.376 40 0 HGABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000100421280 560724513 /nfs/dbraw/zinc/72/45/13/560724513.db2.gz VBMTZEQWPXOMBR-RQXXJAGISA-N 1 2 412.511 3.300 40 0 HGABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000013504894 560812890 /nfs/dbraw/zinc/81/28/90/560812890.db2.gz BQPXFKOKGOQZJH-JOCHJYFZSA-N 1 2 406.534 3.249 40 0 HGABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 ZINC000020140889 560881457 /nfs/dbraw/zinc/88/14/57/560881457.db2.gz ZJYOKHPQXBLZMY-QHCPKHFHSA-N 1 2 420.561 3.245 40 0 HGABLO CC(C)[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057671170 568494984 /nfs/dbraw/zinc/49/49/84/568494984.db2.gz DUPRNXBIFIDXQG-LJQANCHMSA-N 1 2 400.914 3.487 40 0 HGABLO CCOc1ccc([C@@H]([NH3+])c2n[nH]c(CCNc3cccc(OC)c3)n2)cc1OCC ZINC000095534553 568635808 /nfs/dbraw/zinc/63/58/08/568635808.db2.gz DFBFGFIDTSQIPX-OAQYLSRUSA-N 1 2 411.506 3.313 40 0 HGABLO O=C(Cc1cccc(Br)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225623014 568658080 /nfs/dbraw/zinc/65/80/80/568658080.db2.gz PUTCCGLQMWNFRK-UHFFFAOYSA-N 1 2 403.320 3.140 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@@]12CCCO2 ZINC000257221011 568782227 /nfs/dbraw/zinc/78/22/27/568782227.db2.gz DNDZKCHTJJVTPY-NQIIRXRSSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@@]12CCCO2 ZINC000257221011 568782228 /nfs/dbraw/zinc/78/22/28/568782228.db2.gz DNDZKCHTJJVTPY-NQIIRXRSSA-N 1 2 401.532 3.327 40 0 HGABLO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCCC[C@H]1c1nnc(-c2cccnc2)o1 ZINC000257221101 568782310 /nfs/dbraw/zinc/78/23/10/568782310.db2.gz DNMGLDJCZSMYDV-FQEVSTJZSA-N 1 2 403.486 3.244 40 0 HGABLO O=C(C[N@H+]1CCc2ccccc2C1)N1CCCC[C@H]1c1nnc(-c2cccnc2)o1 ZINC000257221101 568782311 /nfs/dbraw/zinc/78/23/11/568782311.db2.gz DNMGLDJCZSMYDV-FQEVSTJZSA-N 1 2 403.486 3.244 40 0 HGABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@@]12CCCO2 ZINC000257236961 568786757 /nfs/dbraw/zinc/78/67/57/568786757.db2.gz HEPMGCWHRTVSPT-UWJYYQICSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@@]12CCCO2 ZINC000257236961 568786758 /nfs/dbraw/zinc/78/67/58/568786758.db2.gz HEPMGCWHRTVSPT-UWJYYQICSA-N 1 2 419.522 3.466 40 0 HGABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257286648 568800578 /nfs/dbraw/zinc/80/05/78/568800578.db2.gz PMJOYLUGNQACKS-RXVVDRJESA-N 1 2 424.419 3.270 40 0 HGABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257286648 568800579 /nfs/dbraw/zinc/80/05/79/568800579.db2.gz PMJOYLUGNQACKS-RXVVDRJESA-N 1 2 424.419 3.270 40 0 HGABLO Cc1ccc2[nH]c(COCC(=O)N3CCC[C@H]3c3cccc(-n4cc[nH+]c4)n3)nc2c1 ZINC000257312724 568807922 /nfs/dbraw/zinc/80/79/22/568807922.db2.gz UPHAGWMXPZDLGJ-FQEVSTJZSA-N 1 2 416.485 3.332 40 0 HGABLO Cc1ccc2nc(COCC(=O)N3CCC[C@H]3c3cccc(-n4cc[nH+]c4)n3)[nH]c2c1 ZINC000257312724 568807924 /nfs/dbraw/zinc/80/79/24/568807924.db2.gz UPHAGWMXPZDLGJ-FQEVSTJZSA-N 1 2 416.485 3.332 40 0 HGABLO Cc1c(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cnn1C ZINC000257329723 568812984 /nfs/dbraw/zinc/81/29/84/568812984.db2.gz XLFWBYBXPRORBB-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO Cc1c(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cnn1C ZINC000257329723 568812985 /nfs/dbraw/zinc/81/29/85/568812985.db2.gz XLFWBYBXPRORBB-NRFANRHFSA-N 1 2 415.925 3.300 40 0 HGABLO CCCN1CC[N@H+](Cc2cc[nH]n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257330089 568813256 /nfs/dbraw/zinc/81/32/56/568813256.db2.gz XMTFWFXYSAKDML-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2cc[nH]n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257330089 568813258 /nfs/dbraw/zinc/81/32/58/568813258.db2.gz XMTFWFXYSAKDML-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CC1(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CCN(C(=O)c2ccccc2F)CC1 ZINC000257343987 568817211 /nfs/dbraw/zinc/81/72/11/568817211.db2.gz ZVGUMYYKUSBOSS-GOSISDBHSA-N 1 2 424.520 3.248 40 0 HGABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccc(C)n1 ZINC000261362801 568819313 /nfs/dbraw/zinc/81/93/13/568819313.db2.gz FEFARDCAXWJSON-HXUWFJFHSA-O 1 2 408.507 3.256 40 0 HGABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306138305 568900137 /nfs/dbraw/zinc/90/01/37/568900137.db2.gz RURADFDVMUUQFP-LPHOPBHVSA-N 1 2 415.515 3.408 40 0 HGABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306138305 568900140 /nfs/dbraw/zinc/90/01/40/568900140.db2.gz RURADFDVMUUQFP-LPHOPBHVSA-N 1 2 415.515 3.408 40 0 HGABLO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5ccc(Cl)cc5)CC4)nccn23)cn1 ZINC000306140680 568902426 /nfs/dbraw/zinc/90/24/26/568902426.db2.gz VAQCLMJHVGZWMD-UHFFFAOYSA-N 1 2 407.909 3.105 40 0 HGABLO CC(C)n1cc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306144429 568905835 /nfs/dbraw/zinc/90/58/35/568905835.db2.gz ZEULUJFMQHGLBL-OAQYLSRUSA-N 1 2 407.566 3.201 40 0 HGABLO CC(C)n1cc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306144429 568905836 /nfs/dbraw/zinc/90/58/36/568905836.db2.gz ZEULUJFMQHGLBL-OAQYLSRUSA-N 1 2 407.566 3.201 40 0 HGABLO C[C@@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329006824 568972372 /nfs/dbraw/zinc/97/23/72/568972372.db2.gz LGNWZOCNQYWISI-LBPRGKRZSA-N 1 2 417.282 3.425 40 0 HGABLO CCCCc1nc(Cl)c(C[N@@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)[nH]1 ZINC000012087381 569344542 /nfs/dbraw/zinc/34/45/42/569344542.db2.gz OFXBUKIVVBFMIY-CQSZACIVSA-N 1 2 418.973 3.284 40 0 HGABLO CCCCc1nc(Cl)c(C[N@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)[nH]1 ZINC000012087381 569344543 /nfs/dbraw/zinc/34/45/43/569344543.db2.gz OFXBUKIVVBFMIY-CQSZACIVSA-N 1 2 418.973 3.284 40 0 HGABLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)Nc1ccccc1 ZINC000019766923 569349093 /nfs/dbraw/zinc/34/90/93/569349093.db2.gz JYPCYZWJFBVIGL-FQEVSTJZSA-N 1 2 409.534 3.433 40 0 HGABLO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)Nc1ccccc1 ZINC000019766923 569349094 /nfs/dbraw/zinc/34/90/94/569349094.db2.gz JYPCYZWJFBVIGL-FQEVSTJZSA-N 1 2 409.534 3.433 40 0 HGABLO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000020799968 524753689 /nfs/dbraw/zinc/75/36/89/524753689.db2.gz NAVKYELQWHUXPD-CYBMUJFWSA-N 1 2 414.897 3.075 40 0 HGABLO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000408562661 557461720 /nfs/dbraw/zinc/46/17/20/557461720.db2.gz DZFJXCBPFCSEMQ-UHFFFAOYSA-N 1 2 407.514 3.397 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161863 557521957 /nfs/dbraw/zinc/52/19/57/557521957.db2.gz GEZQCTLFWVYDGB-YWZLYKJASA-N 1 2 424.549 3.490 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161863 557521959 /nfs/dbraw/zinc/52/19/59/557521959.db2.gz GEZQCTLFWVYDGB-YWZLYKJASA-N 1 2 424.549 3.490 40 0 HGABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)CC1 ZINC000408626286 557558823 /nfs/dbraw/zinc/55/88/23/557558823.db2.gz VUDFURNOYKLMLS-UHFFFAOYSA-N 1 2 421.950 3.227 40 0 HGABLO COC[C@@H](C)NC(=O)C[N@@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719885 558258440 /nfs/dbraw/zinc/25/84/40/558258440.db2.gz ODRQRVZKTDRMOP-GFCCVEGCSA-N 1 2 413.465 3.338 40 0 HGABLO COC[C@@H](C)NC(=O)C[N@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719885 558258443 /nfs/dbraw/zinc/25/84/43/558258443.db2.gz ODRQRVZKTDRMOP-GFCCVEGCSA-N 1 2 413.465 3.338 40 0 HGABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 ZINC000019762899 558277387 /nfs/dbraw/zinc/27/73/87/558277387.db2.gz ZBNDTEJGRXYISA-HSZRJFAPSA-N 1 2 421.545 3.411 40 0 HGABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 ZINC000019762899 558277390 /nfs/dbraw/zinc/27/73/90/558277390.db2.gz ZBNDTEJGRXYISA-HSZRJFAPSA-N 1 2 421.545 3.411 40 0 HGABLO O=C(C[C@@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019819461 558289977 /nfs/dbraw/zinc/28/99/77/558289977.db2.gz YICSRVRSQWAXRZ-HXUWFJFHSA-N 1 2 414.469 3.240 40 0 HGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000012116368 558328614 /nfs/dbraw/zinc/32/86/14/558328614.db2.gz NATIPZRXORDFGC-UHFFFAOYSA-N 1 2 406.486 3.318 40 0 HGABLO COc1ccc2[nH]c(C)c(C[N@@H+]3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c2c1 ZINC000012120750 558330521 /nfs/dbraw/zinc/33/05/21/558330521.db2.gz DPPPGOCGVDLCAA-UHFFFAOYSA-N 1 2 401.470 3.189 40 0 HGABLO COc1ccc2[nH]c(C)c(C[N@H+]3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c2c1 ZINC000012120750 558330523 /nfs/dbraw/zinc/33/05/23/558330523.db2.gz DPPPGOCGVDLCAA-UHFFFAOYSA-N 1 2 401.470 3.189 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 ZINC000012126535 558331423 /nfs/dbraw/zinc/33/14/23/558331423.db2.gz ZMDRHKKKEDKJNL-UHFFFAOYSA-N 1 2 412.465 3.223 40 0 HGABLO Cc1c(C[N@@H+]2CCn3c(CO)nnc3C2)c2ccccc2n1Cc1ccccc1F ZINC000012222765 558356511 /nfs/dbraw/zinc/35/65/11/558356511.db2.gz ZEIBIISROPHURW-UHFFFAOYSA-N 1 2 405.477 3.237 40 0 HGABLO Cc1c(C[N@H+]2CCn3c(CO)nnc3C2)c2ccccc2n1Cc1ccccc1F ZINC000012222765 558356513 /nfs/dbraw/zinc/35/65/13/558356513.db2.gz ZEIBIISROPHURW-UHFFFAOYSA-N 1 2 405.477 3.237 40 0 HGABLO CC[NH+](CC)CN1c2ccccc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000013635451 558553802 /nfs/dbraw/zinc/55/38/02/558553802.db2.gz QQQQKVXZASFDRD-RUZDIDTESA-N 1 2 416.525 3.462 40 0 HGABLO C[N@@H+]1CC[C@@H](c2c(=O)cc(O)c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@H](O)C1 ZINC000029416077 558714881 /nfs/dbraw/zinc/71/48/81/558714881.db2.gz BIIVYFLTOXDAOV-SJKOYZFVSA-N 1 2 401.846 3.305 40 0 in-vitro HGABLO C[N@H+]1CC[C@@H](c2c(=O)cc(O)c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@H](O)C1 ZINC000029416077 558714885 /nfs/dbraw/zinc/71/48/85/558714885.db2.gz BIIVYFLTOXDAOV-SJKOYZFVSA-N 1 2 401.846 3.305 40 0 in-vitro HGABLO COc1ccc2nc(C)c(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000029893628 558723552 /nfs/dbraw/zinc/72/35/52/558723552.db2.gz QMYYCNDXLXCFCQ-UHFFFAOYSA-N 1 2 419.481 3.239 40 0 HGABLO COc1ccc([C@@H](CN(C)C(=O)C2(c3ccccc3F)CC2)[NH+]2CCOCC2)cc1 ZINC000036741373 558802309 /nfs/dbraw/zinc/80/23/09/558802309.db2.gz WUNPQLHFBCSTIL-JOCHJYFZSA-N 1 2 412.505 3.398 40 0 HGABLO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 ZINC000019022460 558838058 /nfs/dbraw/zinc/83/80/58/558838058.db2.gz KJBKFLKPBCQLJP-QGZVFWFLSA-N 1 2 412.515 3.070 40 0 HGABLO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 ZINC000019022460 558838060 /nfs/dbraw/zinc/83/80/60/558838060.db2.gz KJBKFLKPBCQLJP-QGZVFWFLSA-N 1 2 412.515 3.070 40 0 HGABLO COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 ZINC000019079059 558838864 /nfs/dbraw/zinc/83/88/64/558838864.db2.gz XDNJWNOFZUCUIB-AUSIDOKSSA-N 1 2 404.514 3.387 40 0 HGABLO C[C@H](Oc1cccc(F)c1)C(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019079087 558838873 /nfs/dbraw/zinc/83/88/73/558838873.db2.gz ROXDDMLFTRKKQE-PGRDOPGGSA-N 1 2 422.504 3.260 40 0 HGABLO Fc1ccc(-n2cc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000019338630 558870853 /nfs/dbraw/zinc/87/08/53/558870853.db2.gz GNDZQIXCBVHFMP-UHFFFAOYSA-N 1 2 409.509 3.131 40 0 HGABLO Fc1ccc(-n2cc(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000019338630 558870854 /nfs/dbraw/zinc/87/08/54/558870854.db2.gz GNDZQIXCBVHFMP-UHFFFAOYSA-N 1 2 409.509 3.131 40 0 HGABLO CC(=O)N1CCCc2cc(C(=O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000057822672 558891013 /nfs/dbraw/zinc/89/10/13/558891013.db2.gz LPOVVYOCGWFKBK-UHFFFAOYSA-N 1 2 410.489 3.291 40 0 HGABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(CC)CC)CC4)CC1 ZINC000019501161 558899073 /nfs/dbraw/zinc/89/90/73/558899073.db2.gz LWRLEJGQJNLADO-UHFFFAOYSA-N 1 2 413.566 3.488 40 0 HGABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(CC)CC)CC4)CC1 ZINC000019501161 558899076 /nfs/dbraw/zinc/89/90/76/558899076.db2.gz LWRLEJGQJNLADO-UHFFFAOYSA-N 1 2 413.566 3.488 40 0 HGABLO CCc1[nH+]c2cc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)ccc2n1CC ZINC000019523209 558904432 /nfs/dbraw/zinc/90/44/32/558904432.db2.gz UFBUIQHBZUKTMV-JLCFBVMHSA-N 1 2 411.506 3.058 40 0 HGABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1 ZINC000019578130 558933900 /nfs/dbraw/zinc/93/39/00/558933900.db2.gz DFFPODKHKALWOY-QFIPXVFZSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1 ZINC000019578130 558933902 /nfs/dbraw/zinc/93/39/02/558933902.db2.gz DFFPODKHKALWOY-QFIPXVFZSA-N 1 2 417.557 3.488 40 0 HGABLO COc1cc(OC)c(OC)cc1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCCC3)ncc12 ZINC000019594952 558945915 /nfs/dbraw/zinc/94/59/15/558945915.db2.gz PCQKUMLKSRQUML-QFBILLFUSA-N 1 2 410.518 3.364 40 0 HGABLO COc1cc(OC)c(OC)cc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCCC3)ncc12 ZINC000019594952 558945916 /nfs/dbraw/zinc/94/59/16/558945916.db2.gz PCQKUMLKSRQUML-QFBILLFUSA-N 1 2 410.518 3.364 40 0 HGABLO CC(C)Oc1ccccc1CNc1cc(Cn2c3ccccc3n(C)c2=O)[nH+]c(N)n1 ZINC000019655693 558949064 /nfs/dbraw/zinc/94/90/64/558949064.db2.gz RANSIFHUEBBPQK-UHFFFAOYSA-N 1 2 418.501 3.160 40 0 HGABLO CCc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000019665819 558955784 /nfs/dbraw/zinc/95/57/84/558955784.db2.gz ARSBBZVJWPCHPN-UHFFFAOYSA-N 1 2 412.515 3.167 40 0 HGABLO Cc1cc(-c2cnc(N)nc2)cc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)n1 ZINC000019692116 558961669 /nfs/dbraw/zinc/96/16/69/558961669.db2.gz JHGFLBFPZPXSKL-UHFFFAOYSA-N 1 2 420.492 3.386 40 0 HGABLO CC[C@H](C(=O)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1)[NH+]1CCOCC1 ZINC000072374356 558961888 /nfs/dbraw/zinc/96/18/88/558961888.db2.gz XJOZVQFKMMZQTK-OAQYLSRUSA-N 1 2 409.534 3.037 40 0 HGABLO CNc1nc([C@H]2CCCC[N@@H+]2C)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000072376551 558965872 /nfs/dbraw/zinc/96/58/72/558965872.db2.gz GCTMHUFQFRBGOP-OAQYLSRUSA-N 1 2 423.561 3.201 40 0 HGABLO CNc1nc([C@H]2CCCC[N@H+]2C)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000072376551 558965873 /nfs/dbraw/zinc/96/58/73/558965873.db2.gz GCTMHUFQFRBGOP-OAQYLSRUSA-N 1 2 423.561 3.201 40 0 HGABLO Nc1nc2c(cc1C(=O)NCc1ccccn1)C[N@H+](Cc1ccnc3ccccc13)CC2 ZINC000019701037 558967232 /nfs/dbraw/zinc/96/72/32/558967232.db2.gz IOKVYJBAEVZWNU-UHFFFAOYSA-N 1 2 424.508 3.095 40 0 HGABLO Nc1nc2c(cc1C(=O)NCc1ccccn1)C[N@@H+](Cc1ccnc3ccccc13)CC2 ZINC000019701037 558967234 /nfs/dbraw/zinc/96/72/34/558967234.db2.gz IOKVYJBAEVZWNU-UHFFFAOYSA-N 1 2 424.508 3.095 40 0 HGABLO O=C(C[N@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2Cl)n[nH]1)N1CCCC1 ZINC000072378314 558967584 /nfs/dbraw/zinc/96/75/84/558967584.db2.gz LESLYNRPVDTUDW-LJQANCHMSA-N 1 2 402.926 3.444 40 0 HGABLO O=C(C[N@@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2Cl)n[nH]1)N1CCCC1 ZINC000072378314 558967585 /nfs/dbraw/zinc/96/75/85/558967585.db2.gz LESLYNRPVDTUDW-LJQANCHMSA-N 1 2 402.926 3.444 40 0 HGABLO Cc1c(C[N@@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cnn1Cc1ccccc1 ZINC000072394267 558973639 /nfs/dbraw/zinc/97/36/39/558973639.db2.gz ONRKHNQZLBULIG-FQEVSTJZSA-N 1 2 424.570 3.418 40 0 HGABLO Cc1c(C[N@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cnn1Cc1ccccc1 ZINC000072394267 558973641 /nfs/dbraw/zinc/97/36/41/558973641.db2.gz ONRKHNQZLBULIG-FQEVSTJZSA-N 1 2 424.570 3.418 40 0 HGABLO COc1cccc([C@H]2c3ccccc3CC[N@H+]2CC(=O)Nc2nc(C)cc(=O)[nH]2)c1 ZINC000019716008 558977480 /nfs/dbraw/zinc/97/74/80/558977480.db2.gz GDELFNHCLXXVSX-QFIPXVFZSA-N 1 2 404.470 3.085 40 0 HGABLO COc1cccc([C@H]2c3ccccc3CC[N@@H+]2CC(=O)Nc2nc(C)cc(=O)[nH]2)c1 ZINC000019716008 558977484 /nfs/dbraw/zinc/97/74/84/558977484.db2.gz GDELFNHCLXXVSX-QFIPXVFZSA-N 1 2 404.470 3.085 40 0 HGABLO COc1ccc(OC)c(-c2n[nH]c(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)c2C)c1 ZINC000019718134 558981237 /nfs/dbraw/zinc/98/12/37/558981237.db2.gz USZLFBVCHGTJNB-INIZCTEOSA-N 1 2 409.490 3.151 40 0 HGABLO COc1ccc(OC)c(-c2[nH]nc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)c2C)c1 ZINC000019718134 558981240 /nfs/dbraw/zinc/98/12/40/558981240.db2.gz USZLFBVCHGTJNB-INIZCTEOSA-N 1 2 409.490 3.151 40 0 HGABLO Cc1ccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096083051 559094929 /nfs/dbraw/zinc/09/49/29/559094929.db2.gz CYFYAZZLDPCDAI-CYFREDJKSA-N 1 2 421.545 3.229 40 0 HGABLO O=S(=O)(c1cccs1)N1CCC2(CCn3c(-c4ccncc4)c[nH+]c32)CC1 ZINC000096263432 559107118 /nfs/dbraw/zinc/10/71/18/559107118.db2.gz ZSVQUHYHTZJSOH-UHFFFAOYSA-N 1 2 400.529 3.133 40 0 HGABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)N(C)Cc1ccccn1)N(Cc1cccnc1)CC2 ZINC000096265052 559107566 /nfs/dbraw/zinc/10/75/66/559107566.db2.gz AMSTYQLFGVFIEJ-QFIPXVFZSA-N 1 2 404.518 3.012 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C1=O)CC2 ZINC000096305309 559108921 /nfs/dbraw/zinc/10/89/21/559108921.db2.gz XGVZDRJKQCJUDH-KRWDZBQOSA-N 1 2 418.852 3.187 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C1=O)CC2 ZINC000096305309 559108922 /nfs/dbraw/zinc/10/89/22/559108922.db2.gz XGVZDRJKQCJUDH-KRWDZBQOSA-N 1 2 418.852 3.187 40 0 HGABLO O=C(CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)NCCCn1cc[nH+]c1 ZINC000033537028 559207175 /nfs/dbraw/zinc/20/71/75/559207175.db2.gz YSYFJRXWZUHDCA-VBKFSLOCSA-N 1 2 418.906 3.169 40 0 HGABLO Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)Cn4cnnn4)C=C3C)[nH+]c2c1 ZINC000072320855 560077115 /nfs/dbraw/zinc/07/71/15/560077115.db2.gz WNDYYSHGKUWQHF-FHWLQOOXSA-N 1 2 421.549 3.071 40 0 biogenic,in-vitro HGABLO Cc1ccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)Cn4cnnn4)C=C3C)[nH]c2c1 ZINC000072320855 560077116 /nfs/dbraw/zinc/07/71/16/560077116.db2.gz WNDYYSHGKUWQHF-FHWLQOOXSA-N 1 2 421.549 3.071 40 0 biogenic,in-vitro HGABLO COc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3C)CC2)c1 ZINC000004909216 560618015 /nfs/dbraw/zinc/61/80/15/560618015.db2.gz GLFUMWCQIKAOIM-UHFFFAOYSA-N 1 2 415.921 3.490 40 0 HGABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000100420979 560724582 /nfs/dbraw/zinc/72/45/82/560724582.db2.gz GDKMBQIZOMERJG-GRXQJBFDSA-N 1 2 416.474 3.049 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019499517 560873422 /nfs/dbraw/zinc/87/34/22/560873422.db2.gz YEFXJKBRACTRNK-HXUWFJFHSA-N 1 2 400.571 3.342 40 0 HGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502083 560873801 /nfs/dbraw/zinc/87/38/01/560873801.db2.gz VBMTZEQWPXOMBR-FBAVSBLXSA-N 1 2 412.511 3.300 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCC[N@H+]23)cc1 ZINC000005243548 568442917 /nfs/dbraw/zinc/44/29/17/568442917.db2.gz CEAHITVAIUOWIK-UAFMIMERSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]23)cc1 ZINC000005243548 568442918 /nfs/dbraw/zinc/44/29/18/568442918.db2.gz CEAHITVAIUOWIK-UAFMIMERSA-N 1 2 408.885 3.484 40 0 HGABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223625341 568553719 /nfs/dbraw/zinc/55/37/19/568553719.db2.gz WUKFGCFRORPLFZ-FCHUYYIVSA-N 1 2 421.570 3.293 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000096901687 568722073 /nfs/dbraw/zinc/72/20/73/568722073.db2.gz BMYPHOZHYPYXHF-JOCHJYFZSA-N 1 2 419.577 3.429 40 0 HGABLO CCCc1ccc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)o1 ZINC000257206123 568777871 /nfs/dbraw/zinc/77/78/71/568777871.db2.gz BBYXSCAHFJOGSV-NRFANRHFSA-N 1 2 406.910 3.411 40 0 HGABLO CCCc1ccc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)o1 ZINC000257206123 568777873 /nfs/dbraw/zinc/77/78/73/568777873.db2.gz BBYXSCAHFJOGSV-NRFANRHFSA-N 1 2 406.910 3.411 40 0 HGABLO COc1ccc([C@H]2CN(C(=O)C(C)(C)NC(=O)CCc3ccccc3)CC[N@@H+]2C)cc1 ZINC000257208846 568778736 /nfs/dbraw/zinc/77/87/36/568778736.db2.gz BNUKHUMHRBEGEY-JOCHJYFZSA-N 1 2 423.557 3.038 40 0 HGABLO COc1ccc([C@H]2CN(C(=O)C(C)(C)NC(=O)CCc3ccccc3)CC[N@H+]2C)cc1 ZINC000257208846 568778739 /nfs/dbraw/zinc/77/87/39/568778739.db2.gz BNUKHUMHRBEGEY-JOCHJYFZSA-N 1 2 423.557 3.038 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@H](OC)[C@@]4(CCCO4)C3)n2)cc1 ZINC000257222513 568782693 /nfs/dbraw/zinc/78/26/93/568782693.db2.gz DTODUGWAHJJULW-WIYYLYMNSA-N 1 2 417.531 3.027 40 0 HGABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](OC)[C@@]4(CCCO4)C3)n2)cc1 ZINC000257222513 568782694 /nfs/dbraw/zinc/78/26/94/568782694.db2.gz DTODUGWAHJJULW-WIYYLYMNSA-N 1 2 417.531 3.027 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@@]12CCCO2 ZINC000257226667 568783860 /nfs/dbraw/zinc/78/38/60/568783860.db2.gz FLPXQMMSBXEOTM-UTKZUKDTSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@@]12CCCO2 ZINC000257226667 568783863 /nfs/dbraw/zinc/78/38/63/568783863.db2.gz FLPXQMMSBXEOTM-UTKZUKDTSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@]12CCCO2 ZINC000257229936 568784929 /nfs/dbraw/zinc/78/49/29/568784929.db2.gz GABWMHINMSGXNI-WIYYLYMNSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@]12CCCO2 ZINC000257229936 568784930 /nfs/dbraw/zinc/78/49/30/568784930.db2.gz GABWMHINMSGXNI-WIYYLYMNSA-N 1 2 419.522 3.081 40 0 HGABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@@]12CCCO2 ZINC000257236960 568786666 /nfs/dbraw/zinc/78/66/66/568786666.db2.gz HEPMGCWHRTVSPT-UTKZUKDTSA-N 1 2 419.522 3.466 40 0 HGABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@@]12CCCO2 ZINC000257236960 568786669 /nfs/dbraw/zinc/78/66/69/568786669.db2.gz HEPMGCWHRTVSPT-UTKZUKDTSA-N 1 2 419.522 3.466 40 0 HGABLO COCc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257238541 568787170 /nfs/dbraw/zinc/78/71/70/568787170.db2.gz HLMMOTUFUAQWSG-IBGZPJMESA-N 1 2 416.485 3.127 40 0 HGABLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1CO ZINC000257262360 568793477 /nfs/dbraw/zinc/79/34/77/568793477.db2.gz LLCGFFKTTFNKPY-NRFANRHFSA-N 1 2 421.501 3.080 40 0 HGABLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1CO ZINC000257262360 568793478 /nfs/dbraw/zinc/79/34/78/568793478.db2.gz LLCGFFKTTFNKPY-NRFANRHFSA-N 1 2 421.501 3.080 40 0 HGABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)c3n[nH]c4ccccc43)CC2)n1C ZINC000257277157 568797842 /nfs/dbraw/zinc/79/78/42/568797842.db2.gz NWQUVNOSROMZSE-UHFFFAOYSA-N 1 2 415.501 3.157 40 0 HGABLO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4cnc(N(C)C)nc4)CCO3)n2)cc1 ZINC000257282496 568799134 /nfs/dbraw/zinc/79/91/34/568799134.db2.gz OTYNKRITROUDIL-JOCHJYFZSA-N 1 2 405.502 3.187 40 0 HGABLO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cnc(N(C)C)nc4)CCO3)n2)cc1 ZINC000257282496 568799136 /nfs/dbraw/zinc/79/91/36/568799136.db2.gz OTYNKRITROUDIL-JOCHJYFZSA-N 1 2 405.502 3.187 40 0 HGABLO Cn1cc(-c2cc[nH+]c(NCc3cccnc3)c2)c([C@@H]2CCN(C(=O)C3CC3)C2)n1 ZINC000257286618 568800442 /nfs/dbraw/zinc/80/04/42/568800442.db2.gz PMFXOWNJOJZAME-LJQANCHMSA-N 1 2 402.502 3.215 40 0 HGABLO CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257301120 568804591 /nfs/dbraw/zinc/80/45/91/568804591.db2.gz RXBQZAFSUAWZRV-QGZVFWFLSA-N 1 2 424.936 3.466 40 0 HGABLO Cc1ccc(CC(=O)N2CCO[C@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C2)cc1C ZINC000257304121 568805757 /nfs/dbraw/zinc/80/57/57/568805757.db2.gz SKDYCSJXBVAYAK-QFIPXVFZSA-N 1 2 402.498 3.485 40 0 HGABLO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257339090 568815795 /nfs/dbraw/zinc/81/57/95/568815795.db2.gz ZADYLDOXBNKUCU-QFIPXVFZSA-N 1 2 418.545 3.289 40 0 HGABLO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257339090 568815796 /nfs/dbraw/zinc/81/57/96/568815796.db2.gz ZADYLDOXBNKUCU-QFIPXVFZSA-N 1 2 418.545 3.289 40 0 HGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cccn1C ZINC000261363400 568819489 /nfs/dbraw/zinc/81/94/89/568819489.db2.gz HCWHXLCBRQPFJW-FQEVSTJZSA-O 1 2 410.523 3.281 40 0 HGABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306124279 568887277 /nfs/dbraw/zinc/88/72/77/568887277.db2.gz BLMSVKBLXAFTIB-JOCHJYFZSA-N 1 2 401.470 3.373 40 0 HGABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306124279 568887278 /nfs/dbraw/zinc/88/72/78/568887278.db2.gz BLMSVKBLXAFTIB-JOCHJYFZSA-N 1 2 401.470 3.373 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccccc4Cl)C[C@H]2S3(=O)=O)cn1 ZINC000306131743 568893951 /nfs/dbraw/zinc/89/39/51/568893951.db2.gz KOMYDWULVMSYKN-WIYYLYMNSA-N 1 2 413.930 3.496 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccccc4Cl)C[C@H]2S3(=O)=O)cn1 ZINC000306131743 568893953 /nfs/dbraw/zinc/89/39/53/568893953.db2.gz KOMYDWULVMSYKN-WIYYLYMNSA-N 1 2 413.930 3.496 40 0 HGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccccc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306132688 568894792 /nfs/dbraw/zinc/89/47/92/568894792.db2.gz LPHXGAULCPHTHW-GBXCKJPGSA-N 1 2 406.530 3.332 40 0 HGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4ccccn4)CCN3C)nnn2c1 ZINC000306135363 568897191 /nfs/dbraw/zinc/89/71/91/568897191.db2.gz OOQGAQCULDIUIK-QFIPXVFZSA-N 1 2 414.513 3.289 40 0 HGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4ccccn4)CCN3C)nnn2c1 ZINC000306135363 568897192 /nfs/dbraw/zinc/89/71/92/568897192.db2.gz OOQGAQCULDIUIK-QFIPXVFZSA-N 1 2 414.513 3.289 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccc(Cl)cc4)C[C@H]2S3(=O)=O)cn1 ZINC000306140462 568902394 /nfs/dbraw/zinc/90/23/94/568902394.db2.gz UUIWNSXPINNJPF-TZIWHRDSSA-N 1 2 413.930 3.496 40 0 HGABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]2S3(=O)=O)cn1 ZINC000306140462 568902395 /nfs/dbraw/zinc/90/23/95/568902395.db2.gz UUIWNSXPINNJPF-TZIWHRDSSA-N 1 2 413.930 3.496 40 0 HGABLO Cc1cnc(C(=O)N2Cc3ccccc3[C@H](c3[nH+]ccn3Cc3cccnc3)C2)cn1 ZINC000306142348 568903997 /nfs/dbraw/zinc/90/39/97/568903997.db2.gz WWMYNIZFMPIHHB-OAQYLSRUSA-N 1 2 410.481 3.213 40 0 HGABLO Cc1ccccc1C(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3cccs3)n12 ZINC000306142619 568904252 /nfs/dbraw/zinc/90/42/52/568904252.db2.gz XENWPBLXQYOIFV-UHFFFAOYSA-N 1 2 407.543 3.392 40 0 HGABLO Cc1ccccc1C(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3cccs3)n12 ZINC000306142619 568904253 /nfs/dbraw/zinc/90/42/53/568904253.db2.gz XENWPBLXQYOIFV-UHFFFAOYSA-N 1 2 407.543 3.392 40 0 HGABLO COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000008021833 569338872 /nfs/dbraw/zinc/33/88/72/569338872.db2.gz PDVSVHIZGIQRMZ-UHFFFAOYSA-N 1 2 402.454 3.201 40 0 HGABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000008969803 569391063 /nfs/dbraw/zinc/39/10/63/569391063.db2.gz YJWRXRFXIWIHSC-XLAORIBOSA-N 1 2 413.260 3.475 40 0 HGABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000008969803 569391064 /nfs/dbraw/zinc/39/10/64/569391064.db2.gz YJWRXRFXIWIHSC-XLAORIBOSA-N 1 2 413.260 3.475 40 0 HGABLO COc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1C ZINC000261366410 569413910 /nfs/dbraw/zinc/41/39/10/569413910.db2.gz ZOPDTQDOQADECW-FQEVSTJZSA-O 1 2 409.491 3.089 40 0 HGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1ccccc1 ZINC000015676460 291236114 /nfs/dbraw/zinc/23/61/14/291236114.db2.gz HZWXAXFVZDSDFW-IBGZPJMESA-N 1 2 409.873 3.325 40 0 biogenic,in-vitro HGABLO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)NC1CCCCC1 ZINC000015676198 291243468 /nfs/dbraw/zinc/24/34/68/291243468.db2.gz LGNSYNGBBQDGRB-IBGZPJMESA-N 1 2 415.925 3.149 40 0 biogenic,in-vitro HGABLO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH+]c[nH]c2CN1C(=O)NC1CCCCC1 ZINC000015676198 291243470 /nfs/dbraw/zinc/24/34/70/291243470.db2.gz LGNSYNGBBQDGRB-IBGZPJMESA-N 1 2 415.925 3.149 40 0 biogenic,in-vitro HGABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000004622933 132280292 /nfs/dbraw/zinc/28/02/92/132280292.db2.gz PGWBFONPSPRNLX-IBGZPJMESA-N 1 2 401.869 3.242 40 0 HGABLO O=C1C[N@@H+](Cc2ccccc2)C[C@H](CO)N1c1ccc(OCc2ccccc2)cc1 ZINC000008700481 132332244 /nfs/dbraw/zinc/33/22/44/132332244.db2.gz IAVHITPTJAGRMP-HSZRJFAPSA-N 1 2 402.494 3.475 40 0 HGABLO O=C1C[N@H+](Cc2ccccc2)C[C@H](CO)N1c1ccc(OCc2ccccc2)cc1 ZINC000008700481 132332245 /nfs/dbraw/zinc/33/22/45/132332245.db2.gz IAVHITPTJAGRMP-HSZRJFAPSA-N 1 2 402.494 3.475 40 0 HGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000012116429 132354437 /nfs/dbraw/zinc/35/44/37/132354437.db2.gz BKOZEIAPVFIOIV-SFHVURJKSA-N 1 2 419.529 3.265 40 0 HGABLO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020486709 527409123 /nfs/dbraw/zinc/40/91/23/527409123.db2.gz IONGSGDSRZRYCE-UHFFFAOYSA-N 1 2 407.514 3.397 40 0 HGABLO O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035388005 557538527 /nfs/dbraw/zinc/53/85/27/557538527.db2.gz IPYORVPWOXDUSZ-AKHDSKFASA-N 1 2 412.848 3.314 40 0 HGABLO O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035388005 557538532 /nfs/dbraw/zinc/53/85/32/557538532.db2.gz IPYORVPWOXDUSZ-AKHDSKFASA-N 1 2 412.848 3.314 40 0 HGABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000035848484 557644461 /nfs/dbraw/zinc/64/44/61/557644461.db2.gz USJLSKUJLJCMPX-NMLBUPMWSA-N 1 2 424.884 3.184 40 0 HGABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000035848484 557644463 /nfs/dbraw/zinc/64/44/63/557644463.db2.gz USJLSKUJLJCMPX-NMLBUPMWSA-N 1 2 424.884 3.184 40 0 HGABLO CCC[NH+]1CCN(C(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)CC1 ZINC000009199713 557828980 /nfs/dbraw/zinc/82/89/80/557828980.db2.gz VPTYJPBAIZIUGJ-UHFFFAOYSA-N 1 2 401.580 3.416 40 0 HGABLO CNC(=O)c1cnc(C)nc1[C@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000019766499 558278783 /nfs/dbraw/zinc/27/87/83/558278783.db2.gz NWORLWNPBZOXMO-OAQYLSRUSA-N 1 2 423.561 3.109 40 0 HGABLO CNC(=O)c1cnc(C)nc1[C@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000019766499 558278786 /nfs/dbraw/zinc/27/87/86/558278786.db2.gz NWORLWNPBZOXMO-OAQYLSRUSA-N 1 2 423.561 3.109 40 0 HGABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000012120719 558330557 /nfs/dbraw/zinc/33/05/57/558330557.db2.gz HRVTYMBQEGSAPW-UHFFFAOYSA-N 1 2 412.497 3.004 40 0 HGABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000012120719 558330559 /nfs/dbraw/zinc/33/05/59/558330559.db2.gz HRVTYMBQEGSAPW-UHFFFAOYSA-N 1 2 412.497 3.004 40 0 HGABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(I)cc1 ZINC000020107149 558333843 /nfs/dbraw/zinc/33/38/43/558333843.db2.gz INPRLHMLGLNDQB-UHFFFAOYSA-N 1 2 403.223 3.407 40 0 HGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2nc3ccccc3[nH]2)C1 ZINC000012145841 558337132 /nfs/dbraw/zinc/33/71/32/558337132.db2.gz RHTVGCOMCXTNLU-MRXNPFEDSA-N 1 2 402.502 3.465 40 0 HGABLO COc1ccc(OC)c(C[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c1 ZINC000012187509 558346597 /nfs/dbraw/zinc/34/65/97/558346597.db2.gz WOVWJGLUPYJIJF-OAQYLSRUSA-N 1 2 412.534 3.275 40 0 HGABLO COc1ccc(OC)c(C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c1 ZINC000012187509 558346599 /nfs/dbraw/zinc/34/65/99/558346599.db2.gz WOVWJGLUPYJIJF-OAQYLSRUSA-N 1 2 412.534 3.275 40 0 HGABLO COc1ccc(OC)c(C[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)c1 ZINC000012187507 558346613 /nfs/dbraw/zinc/34/66/13/558346613.db2.gz WOVWJGLUPYJIJF-NRFANRHFSA-N 1 2 412.534 3.275 40 0 HGABLO COc1ccc(OC)c(C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)c1 ZINC000012187507 558346615 /nfs/dbraw/zinc/34/66/15/558346615.db2.gz WOVWJGLUPYJIJF-NRFANRHFSA-N 1 2 412.534 3.275 40 0 HGABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)C3)cc2n1 ZINC000012221285 558355926 /nfs/dbraw/zinc/35/59/26/558355926.db2.gz PQPLOBCSEIXAMN-ZIAGYGMSSA-N 1 2 420.439 3.474 40 0 HGABLO CCn1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c2cc(OC)ccc21 ZINC000012222311 558356403 /nfs/dbraw/zinc/35/64/03/558356403.db2.gz ONLYTNSOMQKRDP-UHFFFAOYSA-N 1 2 415.497 3.373 40 0 HGABLO CCn1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c2cc(OC)ccc21 ZINC000012222311 558356404 /nfs/dbraw/zinc/35/64/04/558356404.db2.gz ONLYTNSOMQKRDP-UHFFFAOYSA-N 1 2 415.497 3.373 40 0 HGABLO OCCOCCOCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022463019 558490900 /nfs/dbraw/zinc/49/09/00/558490900.db2.gz VUFOCTSXHUWGPW-HSZRJFAPSA-N 1 2 418.965 3.073 40 0 in-man HGABLO COCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039741719 558684468 /nfs/dbraw/zinc/68/44/68/558684468.db2.gz WHWUBEQNWYHRFR-UHFFFAOYSA-N 1 2 413.493 3.053 40 0 HGABLO O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030942406 558745691 /nfs/dbraw/zinc/74/56/91/558745691.db2.gz AXUOKZQKGVOLCE-LJQANCHMSA-N 1 2 404.470 3.093 40 0 HGABLO Cn1cc(-c2cc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)c3ccccc3n2)cn1 ZINC000019290737 558863221 /nfs/dbraw/zinc/86/32/21/558863221.db2.gz BRHJBDWLIRNEJT-UHFFFAOYSA-N 1 2 412.497 3.383 40 0 HGABLO O=C(C1CCC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019292126 558864312 /nfs/dbraw/zinc/86/43/12/558864312.db2.gz UFVRTOSCHIVBKE-QGZVFWFLSA-N 1 2 423.561 3.242 40 0 HGABLO O=C(C1CCC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019292126 558864314 /nfs/dbraw/zinc/86/43/14/558864314.db2.gz UFVRTOSCHIVBKE-QGZVFWFLSA-N 1 2 423.561 3.242 40 0 HGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000019334450 558869380 /nfs/dbraw/zinc/86/93/80/558869380.db2.gz OWOKTMXEVOPUGE-UHFFFAOYSA-N 1 2 402.376 3.289 40 0 HGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000019334450 558869382 /nfs/dbraw/zinc/86/93/82/558869382.db2.gz OWOKTMXEVOPUGE-UHFFFAOYSA-N 1 2 402.376 3.289 40 0 HGABLO Fc1ccc(Cn2nnnc2C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000019334914 558869644 /nfs/dbraw/zinc/86/96/44/558869644.db2.gz ZGADMTSUXWMGCC-SFHVURJKSA-N 1 2 418.480 3.025 40 0 HGABLO Fc1ccc(Cn2nnnc2C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000019334914 558869646 /nfs/dbraw/zinc/86/96/46/558869646.db2.gz ZGADMTSUXWMGCC-SFHVURJKSA-N 1 2 418.480 3.025 40 0 HGABLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019462886 558894118 /nfs/dbraw/zinc/89/41/18/558894118.db2.gz YQJGKCSOWGUEQK-CRAIPNDOSA-N 1 2 423.561 3.098 40 0 HGABLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019462886 558894119 /nfs/dbraw/zinc/89/41/19/558894119.db2.gz YQJGKCSOWGUEQK-CRAIPNDOSA-N 1 2 423.561 3.098 40 0 HGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C3)C[C@@H](C)O1 ZINC000019497583 558896333 /nfs/dbraw/zinc/89/63/33/558896333.db2.gz OMOBPWDJBRCLRH-ZIAGYGMSSA-N 1 2 422.451 3.373 40 0 HGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C3)C[C@@H](C)O1 ZINC000019497583 558896335 /nfs/dbraw/zinc/89/63/35/558896335.db2.gz OMOBPWDJBRCLRH-ZIAGYGMSSA-N 1 2 422.451 3.373 40 0 HGABLO CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019499770 558897850 /nfs/dbraw/zinc/89/78/50/558897850.db2.gz YHSFSNKPAFHTEL-SJLPKXTDSA-N 1 2 424.545 3.111 40 0 HGABLO CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019499770 558897852 /nfs/dbraw/zinc/89/78/52/558897852.db2.gz YHSFSNKPAFHTEL-SJLPKXTDSA-N 1 2 424.545 3.111 40 0 HGABLO CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@H]1c1nnc(SC)n1C ZINC000019523271 558904456 /nfs/dbraw/zinc/90/44/56/558904456.db2.gz DHQUPDFPYWISPW-PBHICJAKSA-N 1 2 412.563 3.449 40 0 HGABLO CCn1cc(C[NH+]2CCN(CC(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cn1 ZINC000019524970 558906315 /nfs/dbraw/zinc/90/63/15/558906315.db2.gz BCRYGDMCSDZHHT-UHFFFAOYSA-N 1 2 424.574 3.091 40 0 HGABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019578320 558933959 /nfs/dbraw/zinc/93/39/59/558933959.db2.gz HNBHYEKQJJZKKA-UHFFFAOYSA-N 1 2 419.573 3.278 40 0 HGABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019578320 558933961 /nfs/dbraw/zinc/93/39/61/558933961.db2.gz HNBHYEKQJJZKKA-UHFFFAOYSA-N 1 2 419.573 3.278 40 0 HGABLO Cc1nn(Cc2ccccc2)c(C)c1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019578320 558933964 /nfs/dbraw/zinc/93/39/64/558933964.db2.gz HNBHYEKQJJZKKA-UHFFFAOYSA-N 1 2 419.573 3.278 40 0 HGABLO CCOc1cc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)ccc1OC ZINC000072347359 558944501 /nfs/dbraw/zinc/94/45/01/558944501.db2.gz WTHOJBAJVXHZGT-UHFFFAOYSA-N 1 2 412.534 3.384 40 0 HGABLO CCOc1cc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)ccc1OC ZINC000072347359 558944503 /nfs/dbraw/zinc/94/45/03/558944503.db2.gz WTHOJBAJVXHZGT-UHFFFAOYSA-N 1 2 412.534 3.384 40 0 HGABLO COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000019695246 558963915 /nfs/dbraw/zinc/96/39/15/558963915.db2.gz BPKUFAWEGYFXGW-UHFFFAOYSA-N 1 2 422.533 3.330 40 0 HGABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072379164 558967807 /nfs/dbraw/zinc/96/78/07/558967807.db2.gz MXHHELVADIXIEF-SFHVURJKSA-N 1 2 400.479 3.495 40 0 HGABLO Cc1c(C[N@@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cnn1Cc1ccccc1 ZINC000072394268 558973545 /nfs/dbraw/zinc/97/35/45/558973545.db2.gz ONRKHNQZLBULIG-HXUWFJFHSA-N 1 2 424.570 3.418 40 0 HGABLO Cc1c(C[N@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cnn1Cc1ccccc1 ZINC000072394268 558973546 /nfs/dbraw/zinc/97/35/46/558973546.db2.gz ONRKHNQZLBULIG-HXUWFJFHSA-N 1 2 424.570 3.418 40 0 HGABLO CCn1nc([C@@H](C)C(=O)NCCc2[nH]c3cc(C)c(C)cc3[nH+]2)c2ccccc2c1=O ZINC000019716973 558979248 /nfs/dbraw/zinc/97/92/48/558979248.db2.gz RDPDZQMRRMFGAE-MRXNPFEDSA-N 1 2 417.513 3.372 40 0 HGABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCCc1cccc(F)c1)N(Cc1cccnc1)CC2 ZINC000096147253 559098280 /nfs/dbraw/zinc/09/82/80/559098280.db2.gz APPCVDCXJMJZIH-QHCPKHFHSA-N 1 2 421.520 3.456 40 0 HGABLO COc1cccc(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2C(=O)c2cccnc2)c1 ZINC000096147272 559098362 /nfs/dbraw/zinc/09/83/62/559098362.db2.gz QUARDYXSBHPEDB-OAQYLSRUSA-N 1 2 419.485 3.246 40 0 HGABLO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2nccs2)C3)cc1 ZINC000096215805 559101906 /nfs/dbraw/zinc/10/19/06/559101906.db2.gz MNBJIHHOQGHUID-HXUWFJFHSA-N 1 2 405.589 3.382 40 0 HGABLO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)cc1 ZINC000096215805 559101908 /nfs/dbraw/zinc/10/19/08/559101908.db2.gz MNBJIHHOQGHUID-HXUWFJFHSA-N 1 2 405.589 3.382 40 0 HGABLO Cc1nc(Nc2cc([C@@H]3CCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)sc1C ZINC000585291174 559123609 /nfs/dbraw/zinc/12/36/09/559123609.db2.gz LHFUXIABCNWGRU-MBVDDHJVSA-N 1 2 409.519 3.354 40 0 HGABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)n2)n1 ZINC000585291582 559123875 /nfs/dbraw/zinc/12/38/75/559123875.db2.gz RYPNCWFXTJUVDL-DVBCCOPCSA-N 1 2 418.505 3.426 40 0 HGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1=O)CC2 ZINC000102332107 559149979 /nfs/dbraw/zinc/14/99/79/559149979.db2.gz YONZYNMQCBMVQU-QGZVFWFLSA-N 1 2 400.862 3.047 40 0 HGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1=O)CC2 ZINC000102332107 559149980 /nfs/dbraw/zinc/14/99/80/559149980.db2.gz YONZYNMQCBMVQU-QGZVFWFLSA-N 1 2 400.862 3.047 40 0 HGABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N3CCOCC3)c(C)c2)cc1 ZINC000072219349 559169680 /nfs/dbraw/zinc/16/96/80/559169680.db2.gz WEPMQULHONIFTP-HXUWFJFHSA-N 1 2 401.532 3.061 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000910863 560546245 /nfs/dbraw/zinc/54/62/45/560546245.db2.gz LETANXVINWAUPG-HXUWFJFHSA-N 1 2 424.549 3.490 40 0 HGABLO CCn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001370925 560581138 /nfs/dbraw/zinc/58/11/38/560581138.db2.gz WAWROLBZXUSKFC-UHFFFAOYSA-N 1 2 404.923 3.221 40 0 HGABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000004848169 560609790 /nfs/dbraw/zinc/60/97/90/560609790.db2.gz BWXIBQYHKLUWGF-NRFANRHFSA-N 1 2 424.549 3.130 40 0 HGABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000004848169 560609792 /nfs/dbraw/zinc/60/97/92/560609792.db2.gz BWXIBQYHKLUWGF-NRFANRHFSA-N 1 2 424.549 3.130 40 0 HGABLO COc1ccc([C@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 ZINC000009262570 560758262 /nfs/dbraw/zinc/75/82/62/560758262.db2.gz CDNHGMAUUMWXGQ-NRFANRHFSA-N 1 2 414.469 3.381 40 0 HGABLO CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670497 568494735 /nfs/dbraw/zinc/49/47/35/568494735.db2.gz SFCFQBZJMFLIJW-WOJBJXKFSA-N 1 2 418.973 3.415 40 0 HGABLO Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223167922 568539905 /nfs/dbraw/zinc/53/99/05/568539905.db2.gz ZJWCHUVMAFWNGV-MSOLQXFVSA-N 1 2 402.589 3.146 40 0 HGABLO CCNC(=O)c1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)ccc1OC ZINC000224960763 568606066 /nfs/dbraw/zinc/60/60/66/568606066.db2.gz BBOJFCGFZHNBNK-UHFFFAOYSA-N 1 2 417.531 3.236 40 0 HGABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1NC(C)=O ZINC000224977421 568607171 /nfs/dbraw/zinc/60/71/71/568607171.db2.gz RQHQLRWZUORGTI-UHFFFAOYSA-N 1 2 403.504 3.445 40 0 HGABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)c1 ZINC000095533564 568635325 /nfs/dbraw/zinc/63/53/25/568635325.db2.gz YSXVPIGZTJPRIB-AWEZNQCLSA-N 1 2 406.227 3.133 40 0 HGABLO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225457493 568639616 /nfs/dbraw/zinc/63/96/16/568639616.db2.gz TXYHPRATCRGAGI-GOSISDBHSA-N 1 2 422.525 3.406 40 0 HGABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@@H]1CCc1ccncc1 ZINC000257202779 568776995 /nfs/dbraw/zinc/77/69/95/568776995.db2.gz ANKIOMPYGHSMCI-OAQYLSRUSA-N 1 2 409.530 3.030 40 0 HGABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@]12CCCO2 ZINC000257221010 568782271 /nfs/dbraw/zinc/78/22/71/568782271.db2.gz DNDZKCHTJJVTPY-GHTZIAJQSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@]12CCCO2 ZINC000257221010 568782272 /nfs/dbraw/zinc/78/22/72/568782272.db2.gz DNDZKCHTJJVTPY-GHTZIAJQSA-N 1 2 401.532 3.327 40 0 HGABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@]12CCCO2 ZINC000257286302 568800552 /nfs/dbraw/zinc/80/05/52/568800552.db2.gz PLBUIMHNPQUYSB-XLIONFOSSA-N 1 2 405.495 3.158 40 0 HGABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@]12CCCO2 ZINC000257286302 568800554 /nfs/dbraw/zinc/80/05/54/568800554.db2.gz PLBUIMHNPQUYSB-XLIONFOSSA-N 1 2 405.495 3.158 40 0 HGABLO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257339089 568815799 /nfs/dbraw/zinc/81/57/99/568815799.db2.gz ZADYLDOXBNKUCU-JOCHJYFZSA-N 1 2 418.545 3.289 40 0 HGABLO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257339089 568815800 /nfs/dbraw/zinc/81/58/00/568815800.db2.gz ZADYLDOXBNKUCU-JOCHJYFZSA-N 1 2 418.545 3.289 40 0 HGABLO Cc1cccc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4cccs4)n23)c1 ZINC000306123459 568886575 /nfs/dbraw/zinc/88/65/75/568886575.db2.gz ANSQOKBRVIQRMK-UHFFFAOYSA-N 1 2 407.543 3.392 40 0 HGABLO Cc1cccc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4cccs4)n23)c1 ZINC000306123459 568886578 /nfs/dbraw/zinc/88/65/78/568886578.db2.gz ANSQOKBRVIQRMK-UHFFFAOYSA-N 1 2 407.543 3.392 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCO[C@]2(CCCC[C@@H]2NC(C)=O)C1 ZINC000306126219 568888782 /nfs/dbraw/zinc/88/87/82/568888782.db2.gz DPUZVKWEINYENO-RBUKOAKNSA-N 1 2 416.440 3.244 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCO[C@]2(CCCC[C@@H]2NC(C)=O)C1 ZINC000306126219 568888783 /nfs/dbraw/zinc/88/87/83/568888783.db2.gz DPUZVKWEINYENO-RBUKOAKNSA-N 1 2 416.440 3.244 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCO[C@]2(CCCC[C@H]2NC(C)=O)C1 ZINC000306126220 568888831 /nfs/dbraw/zinc/88/88/31/568888831.db2.gz DPUZVKWEINYENO-RTBURBONSA-N 1 2 416.440 3.244 40 0 HGABLO COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCO[C@]2(CCCC[C@H]2NC(C)=O)C1 ZINC000306126220 568888832 /nfs/dbraw/zinc/88/88/32/568888832.db2.gz DPUZVKWEINYENO-RTBURBONSA-N 1 2 416.440 3.244 40 0 HGABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306132291 568894538 /nfs/dbraw/zinc/89/45/38/568894538.db2.gz LEDRTGNMMDOVNX-JOCHJYFZSA-N 1 2 401.470 3.373 40 0 HGABLO COc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306132291 568894541 /nfs/dbraw/zinc/89/45/41/568894541.db2.gz LEDRTGNMMDOVNX-JOCHJYFZSA-N 1 2 401.470 3.373 40 0 HGABLO O=C([C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000306137355 568899336 /nfs/dbraw/zinc/89/93/36/568899336.db2.gz QUDHYGRNJCQQJH-QGZVFWFLSA-N 1 2 405.477 3.065 40 0 HGABLO COc1cccc(CN2CCC[C@]3(C[N@H+](Cc4c[nH]nc4C)CC(F)(F)C3)C2=O)c1 ZINC000306143499 568904991 /nfs/dbraw/zinc/90/49/91/568904991.db2.gz YDTHIWHKWDPLIU-NRFANRHFSA-N 1 2 418.488 3.377 40 0 HGABLO COc1cccc(CN2CCC[C@]3(C[N@@H+](Cc4c[nH]nc4C)CC(F)(F)C3)C2=O)c1 ZINC000306143499 568904993 /nfs/dbraw/zinc/90/49/93/568904993.db2.gz YDTHIWHKWDPLIU-NRFANRHFSA-N 1 2 418.488 3.377 40 0 HGABLO OCCCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329055420 568974826 /nfs/dbraw/zinc/97/48/26/568974826.db2.gz VNWNBOZXSBULBJ-UHFFFAOYSA-N 1 2 402.804 3.288 40 0 HGABLO C[C@H](CO)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329063422 568975312 /nfs/dbraw/zinc/97/53/12/568975312.db2.gz XEGIGWWQKVPWII-GFCCVEGCSA-N 1 2 424.448 3.352 40 0 HGABLO Cc1nc([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019738901 569348590 /nfs/dbraw/zinc/34/85/90/569348590.db2.gz IWTAGELQLDVKKT-GOSISDBHSA-N 1 2 408.550 3.357 40 0 HGABLO Cc1nc([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019738901 569348591 /nfs/dbraw/zinc/34/85/91/569348591.db2.gz IWTAGELQLDVKKT-GOSISDBHSA-N 1 2 408.550 3.357 40 0 HGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cn(C)c2ccccc12 ZINC000261363671 569413608 /nfs/dbraw/zinc/41/36/08/569413608.db2.gz VPJNUOGQLLVVPQ-OAQYLSRUSA-O 1 2 418.502 3.264 40 0 HGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1OC ZINC000261365970 569413711 /nfs/dbraw/zinc/41/37/11/569413711.db2.gz WQPQAUQOLVMGMT-HXUWFJFHSA-O 1 2 409.491 3.171 40 0 HGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(OC)cc3)c2CN1CCCc1ccccc1 ZINC000015707069 291236128 /nfs/dbraw/zinc/23/61/28/291236128.db2.gz HATFGWVEKIDWDT-QHCPKHFHSA-N 1 2 419.525 3.473 40 0 biogenic,in-vitro HGABLO Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000020799972 524755893 /nfs/dbraw/zinc/75/58/93/524755893.db2.gz NAVKYELQWHUXPD-ZDUSSCGKSA-N 1 2 414.897 3.075 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035380445 557536267 /nfs/dbraw/zinc/53/62/67/557536267.db2.gz IWNOZIKSIZMADR-GXRSIYKFSA-N 1 2 402.494 3.447 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035380445 557536270 /nfs/dbraw/zinc/53/62/70/557536270.db2.gz IWNOZIKSIZMADR-GXRSIYKFSA-N 1 2 402.494 3.447 40 0 HGABLO COc1cccc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3OC)C[C@@H]2O)c1 ZINC000004984631 557620613 /nfs/dbraw/zinc/62/06/13/557620613.db2.gz DPVJLVOAQRPECM-HKUYNNGSSA-N 1 2 404.894 3.146 40 0 HGABLO COc1cccc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3OC)C[C@@H]2O)c1 ZINC000004984631 557620614 /nfs/dbraw/zinc/62/06/14/557620614.db2.gz DPVJLVOAQRPECM-HKUYNNGSSA-N 1 2 404.894 3.146 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019759703 558275809 /nfs/dbraw/zinc/27/58/09/558275809.db2.gz MXYQEIHMIVNWMS-QHCPKHFHSA-N 1 2 421.545 3.236 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019759703 558275812 /nfs/dbraw/zinc/27/58/12/558275812.db2.gz MXYQEIHMIVNWMS-QHCPKHFHSA-N 1 2 421.545 3.236 40 0 HGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019759705 558276105 /nfs/dbraw/zinc/27/61/05/558276105.db2.gz MXYQEIHMIVNWMS-HSZRJFAPSA-N 1 2 421.545 3.236 40 0 HGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019759705 558276108 /nfs/dbraw/zinc/27/61/08/558276108.db2.gz MXYQEIHMIVNWMS-HSZRJFAPSA-N 1 2 421.545 3.236 40 0 HGABLO O=C(C[C@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019819463 558289931 /nfs/dbraw/zinc/28/99/31/558289931.db2.gz YICSRVRSQWAXRZ-FQEVSTJZSA-N 1 2 414.469 3.240 40 0 HGABLO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(Cl)c1Cl ZINC000012114378 558327279 /nfs/dbraw/zinc/32/72/79/558327279.db2.gz YEBPCIMZGRWEOD-ZHZUQJFRSA-N 1 2 409.317 3.180 40 0 HGABLO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(Cl)c1Cl ZINC000012114378 558327282 /nfs/dbraw/zinc/32/72/82/558327282.db2.gz YEBPCIMZGRWEOD-ZHZUQJFRSA-N 1 2 409.317 3.180 40 0 HGABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)c2cnccn2)C3)cc1 ZINC000012116186 558328243 /nfs/dbraw/zinc/32/82/43/558328243.db2.gz AKOLYDKWRDAWBB-UHFFFAOYSA-N 1 2 406.490 3.215 40 0 HGABLO COc1cc(CNC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc(OC)c1 ZINC000012116444 558328569 /nfs/dbraw/zinc/32/85/69/558328569.db2.gz PCDKALIPDXPVSN-QGZVFWFLSA-N 1 2 408.502 3.123 40 0 HGABLO COc1ccc2c(c1)C=C(CN(CCC[NH+]1CCOCC1)Cc1cccnc1)CO2 ZINC000012118026 558329638 /nfs/dbraw/zinc/32/96/38/558329638.db2.gz KXJPUYAUZMTINT-UHFFFAOYSA-N 1 2 409.530 3.091 40 0 HGABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)CCn3cc[nH+]c3)cc2n1 ZINC000012221497 558355983 /nfs/dbraw/zinc/35/59/83/558355983.db2.gz SQABXZJUFRJWSF-HNNXBMFYSA-N 1 2 406.412 3.397 40 0 HGABLO COC(=O)COCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022054210 558460101 /nfs/dbraw/zinc/46/01/01/558460101.db2.gz BYCHNMFDSQCCDD-QFIPXVFZSA-N 1 2 402.922 3.237 40 0 in-vitro HGABLO C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013709825 558575421 /nfs/dbraw/zinc/57/54/21/558575421.db2.gz FNQLVKJIDXDDRH-OAHLLOKOSA-N 1 2 402.878 3.180 40 0 HGABLO Cc1ncn(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCCN(c6cccc[nH+]6)CC5)(C4)C2)C3)n1 ZINC000019288280 558861387 /nfs/dbraw/zinc/86/13/87/558861387.db2.gz JSPGROHRUYXWAX-TUUBTQOTSA-N 1 2 420.561 3.016 40 0 HGABLO CC[C@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019499773 558897802 /nfs/dbraw/zinc/89/78/02/558897802.db2.gz YHSFSNKPAFHTEL-WMZOPIPTSA-N 1 2 424.545 3.111 40 0 HGABLO CC[C@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019499773 558897804 /nfs/dbraw/zinc/89/78/04/558897804.db2.gz YHSFSNKPAFHTEL-WMZOPIPTSA-N 1 2 424.545 3.111 40 0 HGABLO CCCc1oc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019525222 558906490 /nfs/dbraw/zinc/90/64/90/558906490.db2.gz YQKBOAZONRHALT-NRFANRHFSA-N 1 2 411.546 3.193 40 0 HGABLO CCCc1oc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019525222 558906492 /nfs/dbraw/zinc/90/64/92/558906492.db2.gz YQKBOAZONRHALT-NRFANRHFSA-N 1 2 411.546 3.193 40 0 HGABLO COc1ccc(C[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c(OC)c1 ZINC000019552158 558915895 /nfs/dbraw/zinc/91/58/95/558915895.db2.gz FGAYABJJFNUTME-OAQYLSRUSA-N 1 2 412.534 3.275 40 0 HGABLO COc1ccc(C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c(OC)c1 ZINC000019552158 558915896 /nfs/dbraw/zinc/91/58/96/558915896.db2.gz FGAYABJJFNUTME-OAQYLSRUSA-N 1 2 412.534 3.275 40 0 HGABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1 ZINC000019578107 558933742 /nfs/dbraw/zinc/93/37/42/558933742.db2.gz ROAFKSZKEOGHOP-QHCPKHFHSA-N 1 2 417.557 3.488 40 0 HGABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1 ZINC000019578107 558933745 /nfs/dbraw/zinc/93/37/45/558933745.db2.gz ROAFKSZKEOGHOP-QHCPKHFHSA-N 1 2 417.557 3.488 40 0 HGABLO Cc1ccnc(-n2cccc2C[N@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c1 ZINC000072335651 558936966 /nfs/dbraw/zinc/93/69/66/558936966.db2.gz LSSFIWVKDOSUGS-UHFFFAOYSA-N 1 2 418.545 3.059 40 0 HGABLO Cc1ccnc(-n2cccc2C[N@@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c1 ZINC000072335651 558936968 /nfs/dbraw/zinc/93/69/68/558936968.db2.gz LSSFIWVKDOSUGS-UHFFFAOYSA-N 1 2 418.545 3.059 40 0 HGABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000072336789 558937435 /nfs/dbraw/zinc/93/74/35/558937435.db2.gz BNRWZLFLTTXCSR-UHFFFAOYSA-N 1 2 402.376 3.289 40 0 HGABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000072336789 558937437 /nfs/dbraw/zinc/93/74/37/558937437.db2.gz BNRWZLFLTTXCSR-UHFFFAOYSA-N 1 2 402.376 3.289 40 0 HGABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353309 558950105 /nfs/dbraw/zinc/95/01/05/558950105.db2.gz MBKKJYKFKXEEIO-QGZVFWFLSA-N 1 2 403.552 3.295 40 0 HGABLO Cc1ccc(C2(C(=O)Nc3cccc(OCC[NH+]4CCOCC4)c3)CCOCC2)cc1 ZINC000019658183 558950168 /nfs/dbraw/zinc/95/01/68/558950168.db2.gz WOKTYWNGUNGZRN-UHFFFAOYSA-N 1 2 424.541 3.393 40 0 HGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1ccc(C)cc1OC)CC2 ZINC000072372384 558959679 /nfs/dbraw/zinc/95/96/79/558959679.db2.gz UZMZZCJPSJTENT-FQEVSTJZSA-N 1 2 409.534 3.077 40 0 HGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccc(C)cc1OC)CC2 ZINC000072372384 558959683 /nfs/dbraw/zinc/95/96/83/558959683.db2.gz UZMZZCJPSJTENT-FQEVSTJZSA-N 1 2 409.534 3.077 40 0 HGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000072374645 558962445 /nfs/dbraw/zinc/96/24/45/558962445.db2.gz ZYSLAJOFWGUCIS-GOSISDBHSA-N 1 2 416.481 3.435 40 0 HGABLO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1ccc(C)cc1OC)C2 ZINC000019708505 558970798 /nfs/dbraw/zinc/97/07/98/558970798.db2.gz MXDJKHLNYWPPEL-IBGZPJMESA-N 1 2 423.561 3.120 40 0 HGABLO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1ccc(C)cc1OC)C2 ZINC000019708505 558970801 /nfs/dbraw/zinc/97/08/01/558970801.db2.gz MXDJKHLNYWPPEL-IBGZPJMESA-N 1 2 423.561 3.120 40 0 HGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccn1)CC2 ZINC000096037045 559090914 /nfs/dbraw/zinc/09/09/14/559090914.db2.gz UEWKFHKXPZGWPF-UHFFFAOYSA-N 1 2 401.514 3.412 40 0 HGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccn1)CC2 ZINC000096037045 559090915 /nfs/dbraw/zinc/09/09/15/559090915.db2.gz UEWKFHKXPZGWPF-UHFFFAOYSA-N 1 2 401.514 3.412 40 0 HGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C1CCOCC1)CC2 ZINC000096037050 559090969 /nfs/dbraw/zinc/09/09/69/559090969.db2.gz LZOLUQCGNBZQNO-UHFFFAOYSA-N 1 2 408.546 3.130 40 0 HGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C1CCOCC1)CC2 ZINC000096037050 559090970 /nfs/dbraw/zinc/09/09/70/559090970.db2.gz LZOLUQCGNBZQNO-UHFFFAOYSA-N 1 2 408.546 3.130 40 0 HGABLO Cc1cc(C(=O)N2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CC[N@H+]3C)no1 ZINC000096144953 559096983 /nfs/dbraw/zinc/09/69/83/559096983.db2.gz FJSSTQJNFCEMMV-UHFFFAOYSA-N 1 2 409.465 3.063 40 0 HGABLO Cc1cc(C(=O)N2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CC[N@@H+]3C)no1 ZINC000096144953 559096984 /nfs/dbraw/zinc/09/69/84/559096984.db2.gz FJSSTQJNFCEMMV-UHFFFAOYSA-N 1 2 409.465 3.063 40 0 HGABLO O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)NCCCn1cc[nH+]c1 ZINC000033589041 559215705 /nfs/dbraw/zinc/21/57/05/559215705.db2.gz LZIXYFUFJQYCAL-PZLZUMHWSA-N 1 2 410.499 3.072 40 0 HGABLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c(OC)c1 ZINC000257267061 559284849 /nfs/dbraw/zinc/28/48/49/559284849.db2.gz MFUJDZOMWHYGCN-QHCPKHFHSA-N 1 2 417.509 3.309 40 0 HGABLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c(OC)c1 ZINC000257267061 559284850 /nfs/dbraw/zinc/28/48/50/559284850.db2.gz MFUJDZOMWHYGCN-QHCPKHFHSA-N 1 2 417.509 3.309 40 0 HGABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889369 560541962 /nfs/dbraw/zinc/54/19/62/560541962.db2.gz IBFVCJBDDCWTPU-QFIPXVFZSA-N 1 2 414.513 3.447 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161874 560601964 /nfs/dbraw/zinc/60/19/64/560601964.db2.gz NRXFMFVUBVTOIA-MGPUTAFESA-N 1 2 424.549 3.490 40 0 HGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161874 560601965 /nfs/dbraw/zinc/60/19/65/560601965.db2.gz NRXFMFVUBVTOIA-MGPUTAFESA-N 1 2 424.549 3.490 40 0 HGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)[NH+]3CCCCC3)cc2c1 ZINC000004234459 560603106 /nfs/dbraw/zinc/60/31/06/560603106.db2.gz DCMLFNULEXXCOY-NRFANRHFSA-N 1 2 418.501 3.294 40 0 HGABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000004848717 560610377 /nfs/dbraw/zinc/61/03/77/560610377.db2.gz QZJUNHGSMDSKQR-FQEVSTJZSA-N 1 2 410.522 3.316 40 0 HGABLO Cc1cc(C)cc(NC(=O)NC2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000004909578 560618162 /nfs/dbraw/zinc/61/81/62/560618162.db2.gz NZKJSKRWADFNLY-UHFFFAOYSA-N 1 2 424.501 3.257 40 0 HGABLO O=C(NCCCn1cc[nH+]c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000100619423 560725669 /nfs/dbraw/zinc/72/56/69/560725669.db2.gz KEOOPWCVXLHHMW-DOMZBBRYSA-N 1 2 408.384 3.153 40 0 HGABLO CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505132 560812838 /nfs/dbraw/zinc/81/28/38/560812838.db2.gz LQZUDICJWOKUNR-FQEVSTJZSA-N 1 2 420.517 3.114 40 0 HGABLO C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014399151 560841964 /nfs/dbraw/zinc/84/19/64/560841964.db2.gz SDFJAJKABIIMND-HNNXBMFYSA-N 1 2 402.878 3.180 40 0 HGABLO CC(C)[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019446069 560873106 /nfs/dbraw/zinc/87/31/06/560873106.db2.gz ZFRVUDFTTJNEDE-HXUWFJFHSA-N 1 2 414.941 3.483 40 0 HGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020139878 560881201 /nfs/dbraw/zinc/88/12/01/560881201.db2.gz AHYKQSXMPUJDSR-FQEVSTJZSA-N 1 2 414.554 3.062 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]23)cc1 ZINC000005271757 568443049 /nfs/dbraw/zinc/44/30/49/568443049.db2.gz MQFONYWUEWYXHW-UAFMIMERSA-N 1 2 408.885 3.484 40 0 HGABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]23)cc1 ZINC000005271757 568443050 /nfs/dbraw/zinc/44/30/50/568443050.db2.gz MQFONYWUEWYXHW-UAFMIMERSA-N 1 2 408.885 3.484 40 0 HGABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]12 ZINC000005321595 568443160 /nfs/dbraw/zinc/44/31/60/568443160.db2.gz UPVXRZXAZJOAQF-NCXUSEDFSA-N 1 2 412.848 3.314 40 0 HGABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]12 ZINC000005321595 568443161 /nfs/dbraw/zinc/44/31/61/568443161.db2.gz UPVXRZXAZJOAQF-NCXUSEDFSA-N 1 2 412.848 3.314 40 0 HGABLO COc1ccccc1N1CC[NH+]([C@@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 ZINC000057670662 568494903 /nfs/dbraw/zinc/49/49/03/568494903.db2.gz KHLCQOWCXDVUOV-JOCHJYFZSA-N 1 2 406.534 3.249 40 0 HGABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CC[NH+]1CCOCC1 ZINC000223125764 568538570 /nfs/dbraw/zinc/53/85/70/568538570.db2.gz FYWZDWDQTWFZCR-IAGOWNOFSA-N 1 2 408.980 3.101 40 0 HGABLO Cc1ccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000225455689 568639653 /nfs/dbraw/zinc/63/96/53/568639653.db2.gz FWBPOQCFOWEIFX-UHFFFAOYSA-N 1 2 418.588 3.048 40 0 HGABLO CCCN1CC[N@H+](Cc2cc[nH]n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257226261 568783897 /nfs/dbraw/zinc/78/38/97/568783897.db2.gz FJWUYEPGLCWTBR-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CCCN1CC[N@@H+](Cc2cc[nH]n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257226261 568783899 /nfs/dbraw/zinc/78/38/99/568783899.db2.gz FJWUYEPGLCWTBR-OAQYLSRUSA-N 1 2 403.530 3.385 40 0 HGABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cccc(-c4cncnc4)n3)CC[N@@H+]2C)cc1 ZINC000257283366 568799649 /nfs/dbraw/zinc/79/96/49/568799649.db2.gz OXZIYIUGUGEYOH-QHCPKHFHSA-N 1 2 417.513 3.455 40 0 HGABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cccc(-c4cncnc4)n3)CC[N@H+]2C)cc1 ZINC000257283366 568799650 /nfs/dbraw/zinc/79/96/50/568799650.db2.gz OXZIYIUGUGEYOH-QHCPKHFHSA-N 1 2 417.513 3.455 40 0 HGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 ZINC000257284555 568799697 /nfs/dbraw/zinc/79/96/97/568799697.db2.gz PDCVCWQCFAVKHH-OAQYLSRUSA-N 1 2 421.476 3.185 40 0 HGABLO CN(C)c1cc([C@H]2CCCN2C(=O)C(C)(C)NC(=O)Cc2ccc(F)cc2)cc[nH+]1 ZINC000257285803 568800158 /nfs/dbraw/zinc/80/01/58/568800158.db2.gz PIYINWVNAWXMTL-LJQANCHMSA-N 1 2 412.509 3.088 40 0 HGABLO COc1cccc(CN2CCC[C@]3(C[N@H+](Cc4cc[nH]n4)CC(F)(F)C3)C2=O)c1 ZINC000306131818 568894189 /nfs/dbraw/zinc/89/41/89/568894189.db2.gz KQFYAHGCECPHTI-FQEVSTJZSA-N 1 2 404.461 3.068 40 0 HGABLO COc1cccc(CN2CCC[C@]3(C[N@@H+](Cc4cc[nH]n4)CC(F)(F)C3)C2=O)c1 ZINC000306131818 568894191 /nfs/dbraw/zinc/89/41/91/568894191.db2.gz KQFYAHGCECPHTI-FQEVSTJZSA-N 1 2 404.461 3.068 40 0 HGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4ccco4)CCN3C)nnn2c1 ZINC000306135047 568897037 /nfs/dbraw/zinc/89/70/37/568897037.db2.gz OFWANVKVVSYQPO-NRFANRHFSA-N 1 2 403.486 3.487 40 0 HGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4ccco4)CCN3C)nnn2c1 ZINC000306135047 568897038 /nfs/dbraw/zinc/89/70/38/568897038.db2.gz OFWANVKVVSYQPO-NRFANRHFSA-N 1 2 403.486 3.487 40 0 HGABLO Cc1ccccc1C(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306135542 568897587 /nfs/dbraw/zinc/89/75/87/568897587.db2.gz OUMIQVLLCPLEIO-UHFFFAOYSA-N 1 2 419.504 3.470 40 0 HGABLO Cc1ccccc1C(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306135542 568897589 /nfs/dbraw/zinc/89/75/89/568897589.db2.gz OUMIQVLLCPLEIO-UHFFFAOYSA-N 1 2 419.504 3.470 40 0 HGABLO C[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328966890 568970300 /nfs/dbraw/zinc/97/03/00/568970300.db2.gz COPNIGNVYXFMHH-AWEZNQCLSA-N 1 2 413.319 3.155 40 0 HGABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1 ZINC000019693279 569346327 /nfs/dbraw/zinc/34/63/27/569346327.db2.gz MTUXBEJAXOOFBU-NRFANRHFSA-N 1 2 418.497 3.133 40 0 HGABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1 ZINC000019693279 569346328 /nfs/dbraw/zinc/34/63/28/569346328.db2.gz MTUXBEJAXOOFBU-NRFANRHFSA-N 1 2 418.497 3.133 40 0 HGABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1 ZINC000019693278 569346340 /nfs/dbraw/zinc/34/63/40/569346340.db2.gz MTUXBEJAXOOFBU-OAQYLSRUSA-N 1 2 418.497 3.133 40 0 HGABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1 ZINC000019693278 569346341 /nfs/dbraw/zinc/34/63/41/569346341.db2.gz MTUXBEJAXOOFBU-OAQYLSRUSA-N 1 2 418.497 3.133 40 0 HGABLO