smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)cc(CN[C@H](c2nc(-c3cccnc3)no2)C(C)C)c1O ZINC000894391102 945068071 /nfs/dbraw/zinc/06/80/71/945068071.db2.gz APYDQMMCPLUDAY-KRWDZBQOSA-N 0 1 368.437 3.641 20 10 FHCDMN Oc1c(Br)cc(Cl)cc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000708215055 937163759 /nfs/dbraw/zinc/16/37/59/937163759.db2.gz FVNDCTCJLMKXPH-SNVBAGLBSA-N 0 1 374.584 3.571 20 10 FHCDMN CN1CCN(c2ccc(CNc3nnc(Cl)cc3C(C)(C)C)cc2)CC1 ZINC001167422926 930918948 /nfs/dbraw/zinc/91/89/48/930918948.db2.gz HFTNMFUSEPKBII-UHFFFAOYSA-N 0 1 373.932 3.791 20 10 FHCDMN CN1CCN(c2ccc(CNc3ccc4ccc(Cl)nc4n3)cc2)CC1 ZINC001167426557 930949498 /nfs/dbraw/zinc/94/94/98/930949498.db2.gz JQCMQHJCDWEYDD-UHFFFAOYSA-N 0 1 367.884 3.647 20 10 FHCDMN COc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c2cc[nH]c21 ZINC001167434078 931136484 /nfs/dbraw/zinc/13/64/84/931136484.db2.gz ALNBLFOHHWNPQN-UHFFFAOYSA-N 0 1 350.466 3.540 20 10 FHCDMN CN1CCN(c2ccc(CNc3ccc(OCC4CCC4)nc3)cc2)CC1 ZINC001167434872 931153312 /nfs/dbraw/zinc/15/33/12/931153312.db2.gz XFPANUGGJOZCSQ-UHFFFAOYSA-N 0 1 366.509 3.624 20 10 FHCDMN COc1cccc2c(NCc3ccc(N4CCN(C)CC4)cc3)ccnc12 ZINC001167437635 931299291 /nfs/dbraw/zinc/29/92/91/931299291.db2.gz WPKIRDOKQVKOBX-UHFFFAOYSA-N 0 1 362.477 3.607 20 10 FHCDMN CN1CCN(c2ccc(CNc3cc(Cl)cc4oncc43)cc2)CC1 ZINC001167441916 931462205 /nfs/dbraw/zinc/46/22/05/931462205.db2.gz YMRDFUYCRSIBDL-UHFFFAOYSA-N 0 1 356.857 3.845 20 10 FHCDMN CN1CCC(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)CC1 ZINC000255335676 932352042 /nfs/dbraw/zinc/35/20/42/932352042.db2.gz SJTSNIXNLIAAFR-GXDHUFHOSA-N 0 1 352.912 3.635 20 10 FHCDMN CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000780496547 933279415 /nfs/dbraw/zinc/27/94/15/933279415.db2.gz UTJITPPANDLXDQ-KRWDZBQOSA-N 0 1 361.404 3.939 20 10 FHCDMN CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000176118023 933673930 /nfs/dbraw/zinc/67/39/30/933673930.db2.gz DRVSFOLMWGQAJN-VWLOTQADSA-N 0 1 361.507 3.765 20 10 FHCDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Br)ccc1[O-] ZINC000134787290 934104447 /nfs/dbraw/zinc/10/44/47/934104447.db2.gz FXKUJSLKLZUYEL-SPGJAERMSA-N 0 1 352.272 3.763 20 10 FHCDMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000159223364 935817067 /nfs/dbraw/zinc/81/70/67/935817067.db2.gz CRVSPZQDHMWENS-AWEZNQCLSA-N 0 1 364.486 3.536 20 10 FHCDMN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000310053139 939113828 /nfs/dbraw/zinc/11/38/28/939113828.db2.gz UKIYZVCPEYRXSF-SWLSCSKDSA-N 0 1 354.878 3.923 20 10 FHCDMN COc1ccc(O)c([C@@H](C)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000376893843 941460927 /nfs/dbraw/zinc/46/09/27/941460927.db2.gz QPDMKVGWGPONLR-ACJLOTCBSA-N 0 1 368.437 3.894 20 10 FHCDMN CC[C@@H](c1ccccc1[O-])[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000377640511 941864847 /nfs/dbraw/zinc/86/48/47/941864847.db2.gz BKJSAUPZHGITTB-NRFANRHFSA-N 0 1 353.510 3.877 20 10 FHCDMN CC[C@@H](c1ccccc1[O-])[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000377640511 941864849 /nfs/dbraw/zinc/86/48/49/941864849.db2.gz BKJSAUPZHGITTB-NRFANRHFSA-N 0 1 353.510 3.877 20 10 FHCDMN Cc1cccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000122821925 942249572 /nfs/dbraw/zinc/24/95/72/942249572.db2.gz BNARYUVBSIBLQZ-LJQANCHMSA-N 0 1 367.445 3.736 20 10 FHCDMN O=C(NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)c1cccs1 ZINC000378353473 942636686 /nfs/dbraw/zinc/63/66/86/942636686.db2.gz FXDDFAJHEKXRFP-UHFFFAOYSA-N 0 1 350.871 3.502 20 10 FHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](C4(C)OCCO4)C3)c2c1 ZINC000182834271 942794735 /nfs/dbraw/zinc/79/47/35/942794735.db2.gz WVQCKNQIQCNNRY-INIZCTEOSA-N 0 1 357.450 3.529 20 10 FHCDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](C4(C)OCCO4)C3)c2c1 ZINC000182834271 942794740 /nfs/dbraw/zinc/79/47/40/942794740.db2.gz WVQCKNQIQCNNRY-INIZCTEOSA-N 0 1 357.450 3.529 20 10 FHCDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](C4(C)OCCO4)C3)c2c1 ZINC000182834271 942794743 /nfs/dbraw/zinc/79/47/43/942794743.db2.gz WVQCKNQIQCNNRY-INIZCTEOSA-N 0 1 357.450 3.529 20 10 FHCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Br)ccc1[O-] ZINC000273393071 942946985 /nfs/dbraw/zinc/94/69/85/942946985.db2.gz LEOUEBOXNIRDHI-QMTHXVAHSA-N 0 1 350.260 3.616 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cccs2)C1 ZINC000435644397 943525462 /nfs/dbraw/zinc/52/54/62/943525462.db2.gz IUPMFCLIUAHQGB-UHFFFAOYSA-N 0 1 367.518 3.786 20 10 FHCDMN CC(C)=CCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436015738 943953959 /nfs/dbraw/zinc/95/39/59/943953959.db2.gz WSPIBCWXYLSHEV-UHFFFAOYSA-N 0 1 353.510 3.880 20 10 FHCDMN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000123566156 944373714 /nfs/dbraw/zinc/37/37/14/944373714.db2.gz FVMSNQNUEFEHPB-QRWLVFNGSA-N 0 1 360.885 3.561 20 10 FHCDMN COc1ccc(N2CCN(C[C@H]3CC[C@H](c4ccccc4)O3)CC2)cc1F ZINC001168066541 945941155 /nfs/dbraw/zinc/94/11/55/945941155.db2.gz AESBKHXPQDNHKF-TZIWHRDSSA-N 0 1 370.468 3.877 20 10 FHCDMN COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756711470 945954550 /nfs/dbraw/zinc/95/45/50/945954550.db2.gz LCQVNZABDJSDIH-ABAIWWIYSA-N 0 1 366.255 3.548 20 10 FHCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cc2ccccc2o1 ZINC000181768873 946062539 /nfs/dbraw/zinc/06/25/39/946062539.db2.gz BTWOIOVLEICONJ-MRXNPFEDSA-N 0 1 365.477 3.808 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H]2C)C1 ZINC000444258419 946141137 /nfs/dbraw/zinc/14/11/37/946141137.db2.gz HCOYYNGKNPTUBJ-SJORKVTESA-N 0 1 353.510 3.665 20 10 FHCDMN COc1cc(OC)c(CNCc2c(C)c3ccccc3n2C)c(OC)c1 ZINC000475193270 946662755 /nfs/dbraw/zinc/66/27/55/946662755.db2.gz BUMCXXQPKUXSRF-UHFFFAOYSA-N 0 1 354.450 3.802 20 10 FHCDMN COc1ccc(N2CC[C@H](CNCc3csc(C(F)(F)F)n3)C2)cc1 ZINC000895006574 946829167 /nfs/dbraw/zinc/82/91/67/946829167.db2.gz RSUWIPGIZLVXKU-GFCCVEGCSA-N 0 1 371.428 3.787 20 10 FHCDMN CCN(CC)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1Cl ZINC000236878340 946873237 /nfs/dbraw/zinc/87/32/37/946873237.db2.gz XJMHUEVGLBJJBL-LJQANCHMSA-N 0 1 359.901 3.664 20 10 FHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435148 947188907 /nfs/dbraw/zinc/18/89/07/947188907.db2.gz NKAWKNGKIHXUHD-GFCCVEGCSA-N 0 1 357.845 3.809 20 10 FHCDMN CCN1CCN(c2ccc(CNc3ncnc4sccc43)cc2F)CC1 ZINC000301180621 947218993 /nfs/dbraw/zinc/21/89/93/947218993.db2.gz HWCYGQVTYMBZOX-UHFFFAOYSA-N 0 1 371.485 3.584 20 10 FHCDMN O=C(NCc1ccc(O)c(O)c1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000759961524 948291992 /nfs/dbraw/zinc/29/19/92/948291992.db2.gz DBPAWXLLZJODAM-UHFFFAOYSA-N 0 1 365.414 3.633 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccnc2F)C1 ZINC000843691106 948427282 /nfs/dbraw/zinc/42/72/82/948427282.db2.gz CZRGGDPGLSOBPR-UHFFFAOYSA-N 0 1 366.440 3.581 20 10 FHCDMN CCCN(Cc1ccccc1O)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000161530034 937120974 /nfs/dbraw/zinc/12/09/74/937120974.db2.gz MIUWQMLJJZSQFH-UHFFFAOYSA-N 0 1 357.479 3.719 20 10 FHCDMN CCN1CCC([N@@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708213218 937163515 /nfs/dbraw/zinc/16/35/15/937163515.db2.gz ZEDCRBWUCNUGKN-UHFFFAOYSA-N 0 1 361.711 3.724 20 10 FHCDMN Cc1ccccc1-c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC001167426272 930949084 /nfs/dbraw/zinc/94/90/84/930949084.db2.gz FESHTBGTVLEGSF-UHFFFAOYSA-N 0 1 373.504 3.816 20 10 FHCDMN CCN1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255276078 931605607 /nfs/dbraw/zinc/60/56/07/931605607.db2.gz ABMJFKCGJAXBEW-UHFFFAOYSA-N 0 1 351.454 3.678 20 10 FHCDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000588406541 931799896 /nfs/dbraw/zinc/79/98/96/931799896.db2.gz UWFJBJRPFYATJD-UITAMQMPSA-N 0 1 372.384 3.688 20 10 FHCDMN CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cc(Br)ccc1[O-] ZINC000092325691 932007540 /nfs/dbraw/zinc/00/75/40/932007540.db2.gz POCRFYRQLNGOHH-HNNXBMFYSA-N 0 1 352.276 3.746 20 10 FHCDMN CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(F)F)c1cc(Br)ccc1[O-] ZINC000834874001 932131555 /nfs/dbraw/zinc/13/15/55/932131555.db2.gz ABIHSHPEZJVCKO-GVXVVHGQSA-N 0 1 352.219 3.600 20 10 FHCDMN C[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(F)c(F)c1O ZINC000276964811 934148726 /nfs/dbraw/zinc/14/87/26/934148726.db2.gz XATBYKAALJBLQA-GFCCVEGCSA-N 0 1 370.403 3.972 20 10 FHCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000310052966 939113789 /nfs/dbraw/zinc/11/37/89/939113789.db2.gz UKIYZVCPEYRXSF-IUODEOHRSA-N 0 1 354.878 3.923 20 10 FHCDMN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793680 940025395 /nfs/dbraw/zinc/02/53/95/940025395.db2.gz QMMATKAQOHPQDA-GOPGUHFVSA-N 0 1 373.324 3.727 20 10 FHCDMN CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000280121800 942106290 /nfs/dbraw/zinc/10/62/90/942106290.db2.gz OHMYUSJDIIUWFV-JTQLQIEISA-N 0 1 359.900 3.752 20 10 FHCDMN C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(Br)cc1[O-] ZINC000363851340 942846322 /nfs/dbraw/zinc/84/63/22/942846322.db2.gz IFLNUZJIAYKYGY-LBPRGKRZSA-N 0 1 373.254 3.586 20 10 FHCDMN Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])CCC2 ZINC000363860827 942871184 /nfs/dbraw/zinc/87/11/84/942871184.db2.gz HLXHYPTVWBNQSC-CHWSQXEVSA-N 0 1 364.287 3.888 20 10 FHCDMN C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000273525953 942978005 /nfs/dbraw/zinc/97/80/05/942978005.db2.gz VEQUKUIINIHAPH-UQASEVPWSA-N 0 1 351.446 3.681 20 10 FHCDMN C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc(Cl)ccc1[O-] ZINC000273574620 942989371 /nfs/dbraw/zinc/98/93/71/942989371.db2.gz LKVSTAPGMLVVNV-ZDUSSCGKSA-N 0 1 362.857 3.849 20 10 FHCDMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000271740764 943042853 /nfs/dbraw/zinc/04/28/53/943042853.db2.gz CFRMRWWFKZKGKV-HUUCEWRRSA-N 0 1 373.428 3.982 20 10 FHCDMN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185487149 943174872 /nfs/dbraw/zinc/17/48/72/943174872.db2.gz FPVJLOXIXIEYEW-SPLOXXLWSA-N 0 1 367.445 3.947 20 10 FHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC2CCC2)C1 ZINC000435874377 943828123 /nfs/dbraw/zinc/82/81/23/943828123.db2.gz JVFDCJQVERGROP-UHFFFAOYSA-N 0 1 353.510 3.666 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CC2CCC2)C1 ZINC000435874377 943828128 /nfs/dbraw/zinc/82/81/28/943828128.db2.gz JVFDCJQVERGROP-UHFFFAOYSA-N 0 1 353.510 3.666 20 10 FHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3ccccc3C2)C1 ZINC000435877831 943829875 /nfs/dbraw/zinc/82/98/75/943829875.db2.gz VKTDJQWSSNTODP-UHFFFAOYSA-N 0 1 373.500 3.950 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2Cc3ccccc3C2)C1 ZINC000435877831 943829882 /nfs/dbraw/zinc/82/98/82/943829882.db2.gz VKTDJQWSSNTODP-UHFFFAOYSA-N 0 1 373.500 3.950 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@@H](C)C2)C1 ZINC000436016622 943956230 /nfs/dbraw/zinc/95/62/30/943956230.db2.gz SFPGOONDCBUWKR-IAGOWNOFSA-N 0 1 353.510 3.713 20 10 FHCDMN CCN1CC[C@H]([N@H+](C)Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC000781907148 944108409 /nfs/dbraw/zinc/10/84/09/944108409.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 0 1 355.320 3.768 20 10 FHCDMN CCN1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC000781907148 944108410 /nfs/dbraw/zinc/10/84/10/944108410.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 0 1 355.320 3.768 20 10 FHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000781911343 944184916 /nfs/dbraw/zinc/18/49/16/944184916.db2.gz LJTSGYDPOFRNIS-LBPRGKRZSA-N 0 1 370.287 3.627 20 10 FHCDMN CC1=CCCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000437979831 944264547 /nfs/dbraw/zinc/26/45/47/944264547.db2.gz YVMYODSDHYYKFC-UHFFFAOYSA-N 0 1 351.494 3.586 20 10 FHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncc(Cl)cn2)C1 ZINC000301492059 945813563 /nfs/dbraw/zinc/81/35/63/945813563.db2.gz OVAUMPQSWMJMIH-AWEZNQCLSA-N 0 1 353.253 3.566 20 10 FHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ncc(Cl)cn2)C1 ZINC000301492059 945813575 /nfs/dbraw/zinc/81/35/75/945813575.db2.gz OVAUMPQSWMJMIH-AWEZNQCLSA-N 0 1 353.253 3.566 20 10 FHCDMN C[C@H]1CCCN(c2ccc(CNc3nc4[nH]ncc4c(=O)[nH]3)cc2Cl)C1 ZINC000281837170 945884426 /nfs/dbraw/zinc/88/44/26/945884426.db2.gz IQHASXQLXSTEQQ-NSHDSACASA-N 0 1 372.860 3.560 20 10 FHCDMN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)n1 ZINC000897044883 946519802 /nfs/dbraw/zinc/51/98/02/946519802.db2.gz PURYUSSPIAMGBX-GWCFXTLKSA-N 0 1 366.259 3.526 20 10 FHCDMN CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000925775569 948045856 /nfs/dbraw/zinc/04/58/56/948045856.db2.gz HLBDBJDCEFBSNZ-ZANVPECISA-N 0 1 353.240 3.985 20 10 FHCDMN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(O)c(Cl)c1 ZINC000054035323 948233857 /nfs/dbraw/zinc/23/38/57/948233857.db2.gz WKPSVUZNVOKUON-UHFFFAOYSA-N 0 1 362.882 3.529 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@@H]3C[C@H]3C)no2)C1 ZINC000520655976 948511009 /nfs/dbraw/zinc/51/10/09/948511009.db2.gz CWDVEVQIUUSHCQ-GDBMZVCRSA-N 0 1 350.466 3.963 20 10 FHCDMN CC[N@@H+](CCC(=O)[O-])Cc1c(O)ccc2cc(Br)ccc21 ZINC000737096827 600422814 /nfs/dbraw/zinc/42/28/14/600422814.db2.gz PUBQTZPNWTVWGO-UHFFFAOYSA-N 0 1 352.228 3.605 20 10 FHCDMN C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@@H]1NC(=O)[O-] ZINC000739179144 603398744 /nfs/dbraw/zinc/39/87/44/603398744.db2.gz AACKUMFVVRZKHX-LRDDRELGSA-N 0 1 354.406 3.770 20 10 FHCDMN C[N@@H+](Cc1cc(Cl)ccc1O)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694594 604675958 /nfs/dbraw/zinc/67/59/58/604675958.db2.gz OGMYCWDWYUDUJN-HNNXBMFYSA-N 0 1 359.731 3.721 20 10 FHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1O ZINC000833400707 604931910 /nfs/dbraw/zinc/93/19/10/604931910.db2.gz KYPOHTQIAMVYTB-CYBMUJFWSA-N 0 1 353.846 3.571 20 10 FHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1O ZINC000833400707 604931911 /nfs/dbraw/zinc/93/19/11/604931911.db2.gz KYPOHTQIAMVYTB-CYBMUJFWSA-N 0 1 353.846 3.571 20 10 FHCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428356 608549922 /nfs/dbraw/zinc/54/99/22/608549922.db2.gz KMPJGZSMYRRMAG-GFCCVEGCSA-N 0 1 357.845 3.809 20 10 FHCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428356 608549923 /nfs/dbraw/zinc/54/99/23/608549923.db2.gz KMPJGZSMYRRMAG-GFCCVEGCSA-N 0 1 357.845 3.809 20 10 FHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511068 608859616 /nfs/dbraw/zinc/85/96/16/608859616.db2.gz APEAXLRASXYBIX-UHFFFAOYSA-N 0 1 367.840 3.515 20 10 FHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511068 608859617 /nfs/dbraw/zinc/85/96/17/608859617.db2.gz APEAXLRASXYBIX-UHFFFAOYSA-N 0 1 367.840 3.515 20 10 FHCDMN Oc1ccccc1CN(Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCO1 ZINC000160208922 927286557 /nfs/dbraw/zinc/28/65/57/927286557.db2.gz MTIJJFATQXRUNF-FQEVSTJZSA-N 0 1 363.461 3.964 20 10 FHCDMN Oc1c(Br)cc(Cl)cc1CN1CCO[C@H](C(F)(F)F)C1 ZINC000708215053 937163944 /nfs/dbraw/zinc/16/39/44/937163944.db2.gz FVNDCTCJLMKXPH-JTQLQIEISA-N 0 1 374.584 3.571 20 10 FHCDMN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1Cc2ccccc2C1 ZINC000728197677 928059642 /nfs/dbraw/zinc/05/96/42/928059642.db2.gz HSZSNXCQWYBUAE-UHFFFAOYSA-N 0 1 373.452 3.928 20 10 FHCDMN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc2ccccc2c1[O-] ZINC000274821845 928820970 /nfs/dbraw/zinc/82/09/70/928820970.db2.gz YNBIRXWMXXJJPV-INIZCTEOSA-N 0 1 363.461 3.628 20 10 FHCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)CC1 ZINC000255135033 929801278 /nfs/dbraw/zinc/80/12/78/929801278.db2.gz RMBJIGZDMLKOQH-GXDHUFHOSA-N 0 1 352.912 3.635 20 10 FHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000175837399 929858300 /nfs/dbraw/zinc/85/83/00/929858300.db2.gz OBAMPAAAYHASMR-RDJZCZTQSA-N 0 1 363.454 3.884 20 10 FHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000175837399 929858301 /nfs/dbraw/zinc/85/83/01/929858301.db2.gz OBAMPAAAYHASMR-RDJZCZTQSA-N 0 1 363.454 3.884 20 10 FHCDMN CC(C)c1cc(Cl)nc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167431089 931031251 /nfs/dbraw/zinc/03/12/51/931031251.db2.gz GNRNENKRPFIRGW-UHFFFAOYSA-N 0 1 359.905 3.617 20 10 FHCDMN COc1ccc2cccnc2c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167431155 931032116 /nfs/dbraw/zinc/03/21/16/931032116.db2.gz JTIBGJXOZLZMGZ-UHFFFAOYSA-N 0 1 362.477 3.607 20 10 FHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000091957494 931293729 /nfs/dbraw/zinc/29/37/29/931293729.db2.gz MJVZMLXCHWVFAV-GOEBONIOSA-N 0 1 366.255 3.836 20 10 FHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000091957494 931293742 /nfs/dbraw/zinc/29/37/42/931293742.db2.gz MJVZMLXCHWVFAV-GOEBONIOSA-N 0 1 366.255 3.836 20 10 FHCDMN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000276650779 932818520 /nfs/dbraw/zinc/81/85/20/932818520.db2.gz WNAXNLBVYOGGPX-RUZDIDTESA-N 0 1 365.426 3.536 20 10 FHCDMN CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000176118036 933674299 /nfs/dbraw/zinc/67/42/99/933674299.db2.gz DRVSFOLMWGQAJN-RUZDIDTESA-N 0 1 361.507 3.765 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(C)C)C1 ZINC000520951526 934037618 /nfs/dbraw/zinc/03/76/18/934037618.db2.gz CFXNRNSFFMYKKP-UHFFFAOYSA-N 0 1 355.526 3.959 20 10 FHCDMN Cc1noc(C[C@H](NCc2ccc(N(C)C)c(F)c2)c2ccccc2)n1 ZINC000277656230 935781690 /nfs/dbraw/zinc/78/16/90/935781690.db2.gz NMQPSCXUFIJONN-SFHVURJKSA-N 0 1 354.429 3.657 20 10 FHCDMN COc1cc(C)cc(CN[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1O ZINC000894394787 945212631 /nfs/dbraw/zinc/21/26/31/945212631.db2.gz WLLVWQLWMBZORI-QGZVFWFLSA-N 0 1 368.437 3.641 20 10 FHCDMN COc1cc(O)c(CN(C)Cc2ccc(Br)s2)cc1OC ZINC000179476037 939172539 /nfs/dbraw/zinc/17/25/39/939172539.db2.gz HEAWQZLHDVSSEM-UHFFFAOYSA-N 0 1 372.284 3.865 20 10 FHCDMN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cnc1F ZINC000892622453 940999904 /nfs/dbraw/zinc/99/99/04/940999904.db2.gz QEAIOQBIHSXAOY-GASCZTMLSA-N 0 1 361.436 3.572 20 10 FHCDMN Cc1cc(F)ncc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892623383 941003247 /nfs/dbraw/zinc/00/32/47/941003247.db2.gz WIXBHORMGXFECF-GJZGRUSLSA-N 0 1 361.436 3.572 20 10 FHCDMN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000176380085 941029819 /nfs/dbraw/zinc/02/98/19/941029819.db2.gz DFDGSDPQLHIKNX-YRNVUSSQSA-N 0 1 369.402 3.633 20 10 FHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCc2cccnc21 ZINC000377087990 941512132 /nfs/dbraw/zinc/51/21/32/941512132.db2.gz FTTDFKWDJIKATC-ZDUSSCGKSA-N 0 1 351.233 3.830 20 10 FHCDMN CC[C@H](N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(C)cc1O ZINC000280007359 942085277 /nfs/dbraw/zinc/08/52/77/942085277.db2.gz GLCNWGOJNWIPRO-HOCLYGCPSA-N 0 1 351.454 3.991 20 10 FHCDMN Cc1cc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c(C)n1-c1cccc(C)c1 ZINC000377996833 942145479 /nfs/dbraw/zinc/14/54/79/942145479.db2.gz ORZGATOFYXCJOY-KRWDZBQOSA-N 0 1 363.465 3.540 20 10 FHCDMN CN(Cc1cc(Br)ccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000179314798 942210967 /nfs/dbraw/zinc/21/09/67/942210967.db2.gz ZHKXVFHLUIIMOG-UHFFFAOYSA-N 0 1 351.200 3.695 20 10 FHCDMN Cc1nc(CNCc2cc(Br)cc(C)c2O)c2n1CCCC2 ZINC000378521372 942856661 /nfs/dbraw/zinc/85/66/61/942856661.db2.gz UZNXNJHGNHYWJH-UHFFFAOYSA-N 0 1 364.287 3.594 20 10 FHCDMN Cc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c(O)c1C ZINC000273350629 942938208 /nfs/dbraw/zinc/93/82/08/942938208.db2.gz BPBDQHVQWZAGGF-OXQOHEQNSA-N 0 1 367.493 3.632 20 10 FHCDMN Cc1ccc([C@@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c(O)c1 ZINC000273407059 942949540 /nfs/dbraw/zinc/94/95/40/942949540.db2.gz OQYFCCGHFXRQQT-LLVKDONJSA-N 0 1 350.344 3.613 20 10 FHCDMN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000515696979 944138132 /nfs/dbraw/zinc/13/81/32/944138132.db2.gz HXPWYUTXQTXVBN-UHFFFAOYSA-N 0 1 363.464 3.588 20 10 FHCDMN Cc1ncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000123661216 944399390 /nfs/dbraw/zinc/39/93/90/944399390.db2.gz JYIQHLZMXRSUFW-LBPRGKRZSA-N 0 1 351.903 3.792 20 10 FHCDMN CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1[O-] ZINC000825319064 947154556 /nfs/dbraw/zinc/15/45/56/947154556.db2.gz WMDNPLUPWXLJOV-UHFFFAOYSA-N 0 1 357.845 3.638 20 10 FHCDMN C[C@H](C[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC000840999168 947739474 /nfs/dbraw/zinc/73/94/74/947739474.db2.gz OSXQZNVLJWIJMA-CYBMUJFWSA-N 0 1 369.303 3.592 20 10 FHCDMN CC(C)COc1ccccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000066973950 948134040 /nfs/dbraw/zinc/13/40/40/948134040.db2.gz ITOWLAUPTRGYRY-UHFFFAOYSA-N 0 1 372.484 3.987 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@H]3C[C@@H]3C)no2)C1 ZINC000520655984 948511444 /nfs/dbraw/zinc/51/14/44/948511444.db2.gz CWDVEVQIUUSHCQ-HOCLYGCPSA-N 0 1 350.466 3.963 20 10 FHCDMN Cn1ccnc1[C@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1F ZINC000365360600 568560294 /nfs/dbraw/zinc/56/02/94/568560294.db2.gz MNKJMEYKGSYYRE-QGZVFWFLSA-N 0 1 363.795 3.937 20 10 FHCDMN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)Cc1cc(F)cc2cccnc21 ZINC000739794244 600145433 /nfs/dbraw/zinc/14/54/33/600145433.db2.gz XHQCVEMMSRQURX-UHFFFAOYSA-N 0 1 374.799 3.820 20 10 FHCDMN CCc1cnc(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)s1 ZINC000830290446 601300540 /nfs/dbraw/zinc/30/05/40/601300540.db2.gz QKFMTSJCOGSIFQ-UHFFFAOYSA-N 0 1 356.447 3.895 20 10 FHCDMN CCc1cnc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)s1 ZINC000830290446 601300542 /nfs/dbraw/zinc/30/05/42/601300542.db2.gz QKFMTSJCOGSIFQ-UHFFFAOYSA-N 0 1 356.447 3.895 20 10 FHCDMN C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@@H]1NC(=O)[O-] ZINC000739179152 603398854 /nfs/dbraw/zinc/39/88/54/603398854.db2.gz AACKUMFVVRZKHX-WBMJQRKESA-N 0 1 354.406 3.770 20 10 FHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1O ZINC000833400708 604931608 /nfs/dbraw/zinc/93/16/08/604931608.db2.gz KYPOHTQIAMVYTB-ZDUSSCGKSA-N 0 1 353.846 3.571 20 10 FHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1O ZINC000833400708 604931612 /nfs/dbraw/zinc/93/16/12/604931612.db2.gz KYPOHTQIAMVYTB-ZDUSSCGKSA-N 0 1 353.846 3.571 20 10 FHCDMN CC[N@H+](Cc1c([O-])cccc1Cl)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429182 608550262 /nfs/dbraw/zinc/55/02/62/608550262.db2.gz XZHYQWQAKUZQRZ-GFCCVEGCSA-N 0 1 357.845 3.809 20 10 FHCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429182 608550263 /nfs/dbraw/zinc/55/02/63/608550263.db2.gz XZHYQWQAKUZQRZ-GFCCVEGCSA-N 0 1 357.845 3.809 20 10 FHCDMN CN1CCN(c2ccc(CNc3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC001167431104 931031203 /nfs/dbraw/zinc/03/12/03/931031203.db2.gz HETJGTYYJNJZQQ-UHFFFAOYSA-N 0 1 371.353 3.746 20 10 FHCDMN CN1CCN(c2ccc(CNc3cccc(-c4cccnc4)n3)cc2)CC1 ZINC001167436805 931259625 /nfs/dbraw/zinc/25/96/25/931259625.db2.gz AAJPWFFRCVLSOU-UHFFFAOYSA-N 0 1 359.477 3.508 20 10 FHCDMN COc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c2ccncc12 ZINC001167441583 931448842 /nfs/dbraw/zinc/44/88/42/931448842.db2.gz PQWQKWVYKTYYDU-UHFFFAOYSA-N 0 1 362.477 3.607 20 10 FHCDMN CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(OCC)ccc1O ZINC000160899232 932058558 /nfs/dbraw/zinc/05/85/58/932058558.db2.gz WHWTWOVBCBIXHB-UHFFFAOYSA-N 0 1 372.465 3.650 20 10 FHCDMN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1CCOC1 ZINC000176103587 934123212 /nfs/dbraw/zinc/12/32/12/934123212.db2.gz DEFVKJWGYPUPPV-GFCCVEGCSA-N 0 1 350.256 3.776 20 10 FHCDMN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1CCOC1 ZINC000176103587 934123217 /nfs/dbraw/zinc/12/32/17/934123217.db2.gz DEFVKJWGYPUPPV-GFCCVEGCSA-N 0 1 350.256 3.776 20 10 FHCDMN Cc1noc(C[C@@H](NCc2ccc(N(C)C)c(F)c2)c2ccccc2)n1 ZINC000277656228 935781841 /nfs/dbraw/zinc/78/18/41/935781841.db2.gz NMQPSCXUFIJONN-GOSISDBHSA-N 0 1 354.429 3.657 20 10 FHCDMN COc1cc(C)cc(CN[C@H](c2nc(-c3ccncc3)no2)C(C)C)c1O ZINC000894394786 945213265 /nfs/dbraw/zinc/21/32/65/945213265.db2.gz WLLVWQLWMBZORI-KRWDZBQOSA-N 0 1 368.437 3.641 20 10 FHCDMN CS(=O)(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000122244510 941310155 /nfs/dbraw/zinc/31/01/55/941310155.db2.gz YOJOXSULBYTXBE-UHFFFAOYSA-N 0 1 361.250 3.683 20 10 FHCDMN Cc1cc([C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)no1 ZINC000377093884 941514246 /nfs/dbraw/zinc/51/42/46/941514246.db2.gz TYAUUBPCQYKYQB-ZDUSSCGKSA-N 0 1 351.397 3.904 20 10 FHCDMN Cc1ccc([C@@H](NCc2cc(C)c(C)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280627539 942217495 /nfs/dbraw/zinc/21/74/95/942217495.db2.gz GNSQIIREFQPFQD-UZLBHIALSA-N 0 1 361.507 3.581 20 10 FHCDMN COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273300318 942926981 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C[C@H](N[C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000123566428 944373360 /nfs/dbraw/zinc/37/33/60/944373360.db2.gz FVMSNQNUEFEHPB-MGPUTAFESA-N 0 1 360.885 3.561 20 10 FHCDMN Cc1ncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000123661445 944399569 /nfs/dbraw/zinc/39/95/69/944399569.db2.gz JYIQHLZMXRSUFW-GFCCVEGCSA-N 0 1 351.903 3.792 20 10 FHCDMN Oc1c(F)cc(F)cc1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000894760221 944547270 /nfs/dbraw/zinc/54/72/70/944547270.db2.gz DSHMNGAYQVWTKV-LSDHHAIUSA-N 0 1 365.380 3.632 20 10 FHCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])NC(=O)OC(C)(C)C ZINC000195140536 944812563 /nfs/dbraw/zinc/81/25/63/944812563.db2.gz WNTKORCFMQGXGR-QWRGUYRKSA-N 0 1 373.291 3.719 20 10 FHCDMN COc1ccsc1[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840757446 946138969 /nfs/dbraw/zinc/13/89/69/946138969.db2.gz AAWKZMIBYJSNPV-GFCCVEGCSA-N 0 1 368.449 3.722 20 10 FHCDMN CCN1CCN(c2ccc(CNC(=O)CCC3CCCC3)cc2F)CC1 ZINC000303342907 946556387 /nfs/dbraw/zinc/55/63/87/946556387.db2.gz 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/nfs/dbraw/zinc/34/22/33/940342233.db2.gz NIXWFOMFKXDKOA-GJZGRUSLSA-N 0 1 354.878 3.971 20 10 FHCDMN Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3ccc4ccccc4c3[O-])C2)no1 ZINC000376304413 940736597 /nfs/dbraw/zinc/73/65/97/940736597.db2.gz FJBNRQUTQNTVJK-PBHICJAKSA-N 0 1 366.465 3.552 20 10 FHCDMN NC(=O)CSc1ccccc1NCc1cc(Cl)cc(Cl)c1O ZINC000122118497 940989260 /nfs/dbraw/zinc/98/92/60/940989260.db2.gz CWHNYCQWMDEGBE-UHFFFAOYSA-N 0 1 357.262 3.889 20 10 FHCDMN CN1CCCc2cc(CNCc3cnc(CC(F)(F)F)s3)ccc21 ZINC000892734379 941492529 /nfs/dbraw/zinc/49/25/29/941492529.db2.gz YSHRYYNBHGAHOO-UHFFFAOYSA-N 0 1 355.429 3.920 20 10 FHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCc2cccnc21 ZINC000377087989 941512122 /nfs/dbraw/zinc/51/21/22/941512122.db2.gz FTTDFKWDJIKATC-CYBMUJFWSA-N 0 1 351.233 3.830 20 10 FHCDMN Cc1ccc([C@H](NCc2cc(C)c(C)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280627536 942217169 /nfs/dbraw/zinc/21/71/69/942217169.db2.gz GNSQIIREFQPFQD-OXQOHEQNSA-N 0 1 361.507 3.581 20 10 FHCDMN C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386863 942528193 /nfs/dbraw/zinc/52/81/93/942528193.db2.gz OZIWRIURDZWAPE-QGZVFWFLSA-N 0 1 371.550 3.875 20 10 FHCDMN C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cc(Br)ccc1[O-] ZINC000363850495 942844051 /nfs/dbraw/zinc/84/40/51/942844051.db2.gz HOBFKFSZVHQWAM-GFCCVEGCSA-N 0 1 373.254 3.586 20 10 FHCDMN Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])[C@@H](C)C2)s1 ZINC000363858838 942866335 /nfs/dbraw/zinc/86/63/35/942866335.db2.gz RGAVZVMJQUWWEY-LXIYXOSZSA-N 0 1 363.502 3.857 20 10 FHCDMN C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc2ccccc2c1[O-] ZINC000363866643 942892506 /nfs/dbraw/zinc/89/25/06/942892506.db2.gz OXZGXQSZPIOOAJ-CRAIPNDOSA-N 0 1 361.445 3.506 20 10 FHCDMN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(Br)cc1[O-] ZINC000273388045 942946256 /nfs/dbraw/zinc/94/62/56/942946256.db2.gz KBWXXCYPTQQSOM-IINYFYTJSA-N 0 1 350.260 3.616 20 10 FHCDMN C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000273445444 942958524 /nfs/dbraw/zinc/95/85/24/942958524.db2.gz DZRJYZZNSYVVIW-BMIGLBTASA-N 0 1 354.219 3.678 20 10 FHCDMN COc1cc(Cl)cc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000273760116 943031909 /nfs/dbraw/zinc/03/19/09/943031909.db2.gz OUIWHSQXPVXFFB-LBPRGKRZSA-N 0 1 363.845 3.694 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCCCC2)C1 ZINC000435668343 943549534 /nfs/dbraw/zinc/54/95/34/943549534.db2.gz XPYUUPMEWFOVRG-UHFFFAOYSA-N 0 1 353.510 3.810 20 10 FHCDMN Cc1cc(Br)c([O-])c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000781902275 944010745 /nfs/dbraw/zinc/01/07/45/944010745.db2.gz PRIRDTSPUYDJRA-OAHLLOKOSA-N 0 1 353.304 3.523 20 10 FHCDMN CN(C)c1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 ZINC000025076018 944318730 /nfs/dbraw/zinc/31/87/30/944318730.db2.gz HAIVIZANQZMAEX-UHFFFAOYSA-N 0 1 352.413 3.554 20 10 FHCDMN COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756711472 945953897 /nfs/dbraw/zinc/95/38/97/945953897.db2.gz LCQVNZABDJSDIH-NHYWBVRUSA-N 0 1 366.255 3.548 20 10 FHCDMN CC1=CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000444327647 946563243 /nfs/dbraw/zinc/56/32/43/946563243.db2.gz GCSCHMAPULBAJY-UHFFFAOYSA-N 0 1 351.494 3.586 20 10 FHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301260940 947256536 /nfs/dbraw/zinc/25/65/36/947256536.db2.gz VDUUZNRFSNUSDA-INIZCTEOSA-N 0 1 358.873 3.790 20 10 FHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301260940 947256545 /nfs/dbraw/zinc/25/65/45/947256545.db2.gz VDUUZNRFSNUSDA-INIZCTEOSA-N 0 1 358.873 3.790 20 10 FHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000833309018 602124776 /nfs/dbraw/zinc/12/47/76/602124776.db2.gz ZLOSJLPGLHTYEK-KRWDZBQOSA-N 0 1 369.442 3.879 20 10 FHCDMN C[C@H](Oc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537910 604531564 /nfs/dbraw/zinc/53/15/64/604531564.db2.gz QHFLZIXKQDIVGE-INIZCTEOSA-N 0 1 368.477 3.769 20 10 FHCDMN C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000825958249 608526226 /nfs/dbraw/zinc/52/62/26/608526226.db2.gz OXVQVZOOLSOEEH-UHFFFAOYSA-N 0 1 364.236 3.511 20 10 FHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826510896 608590188 /nfs/dbraw/zinc/59/01/88/608590188.db2.gz QKTMPNYEFPMVJQ-UHFFFAOYSA-N 0 1 367.840 3.515 20 10 FHCDMN Oc1ccccc1CN(Cc1cccc2c1OCCCO2)C[C@H]1CCCO1 ZINC000160169093 927072511 /nfs/dbraw/zinc/07/25/11/927072511.db2.gz NXDHLJICIYVROL-LJQANCHMSA-N 0 1 369.461 3.735 20 10 FHCDMN Cc1ccc2ncc(CN(Cc3ccccc3O)C[C@H]3CCCO3)n2c1 ZINC000160209707 927285854 /nfs/dbraw/zinc/28/58/54/927285854.db2.gz BJWJDHBLOZFKSL-LJQANCHMSA-N 0 1 351.450 3.530 20 10 FHCDMN COc1c([O-])c(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000278168594 937293878 /nfs/dbraw/zinc/29/38/78/937293878.db2.gz FPNQOTCBVCQBQH-CQSZACIVSA-N 0 1 363.439 3.583 20 10 FHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000278168594 937293882 /nfs/dbraw/zinc/29/38/82/937293882.db2.gz FPNQOTCBVCQBQH-CQSZACIVSA-N 0 1 363.439 3.583 20 10 FHCDMN CCN(CC)c1ccc(CN[C@H]2CCCc3cn(CCOC)nc32)cc1 ZINC000374712889 929892059 /nfs/dbraw/zinc/89/20/59/929892059.db2.gz DPAVHSLHMGGNOS-FQEVSTJZSA-N 0 1 356.514 3.543 20 10 FHCDMN Cc1cscc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134260489 930817933 /nfs/dbraw/zinc/81/79/33/930817933.db2.gz VDTZIJSVSBSHIW-HNNXBMFYSA-N 0 1 364.898 3.810 20 10 FHCDMN Cc1cc(-c2ccccc2)nc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167426539 930949466 /nfs/dbraw/zinc/94/94/66/930949466.db2.gz IRRQVSYLKHEAEC-UHFFFAOYSA-N 0 1 373.504 3.816 20 10 FHCDMN CN1CCN(c2ccc(CNc3cc(-c4ccncc4)ccn3)cc2)CC1 ZINC001167426870 930949564 /nfs/dbraw/zinc/94/95/64/930949564.db2.gz MJCVCJULGHRGCX-UHFFFAOYSA-N 0 1 359.477 3.508 20 10 FHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000706872072 931799968 /nfs/dbraw/zinc/79/99/68/931799968.db2.gz XLXGAQUSYBGMMS-OAHLLOKOSA-N 0 1 361.283 3.519 20 10 FHCDMN Cc1cc(C[C@H](C)NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n[nH]1 ZINC000161078243 933082300 /nfs/dbraw/zinc/08/23/00/933082300.db2.gz VSKGDSFMTKNAGW-AWEZNQCLSA-N 0 1 350.466 3.795 20 10 FHCDMN COc1c([O-])c(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278294314 938289040 /nfs/dbraw/zinc/28/90/40/938289040.db2.gz VBUOILBJZKMIGW-JTQLQIEISA-N 0 1 351.428 3.575 20 10 FHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278294314 938289043 /nfs/dbraw/zinc/28/90/43/938289043.db2.gz VBUOILBJZKMIGW-JTQLQIEISA-N 0 1 351.428 3.575 20 10 FHCDMN CSCC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000164225644 945317338 /nfs/dbraw/zinc/31/73/38/945317338.db2.gz CTMOQJCJKFEXIV-YJBOKZPZSA-N 0 1 369.538 3.940 20 10 FHCDMN Cc1ccc(-c2nc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cs2)cc1 ZINC000728696855 941673886 /nfs/dbraw/zinc/67/38/86/941673886.db2.gz GQARADJOBHECCA-GZTJUZNOSA-N 0 1 361.426 3.580 20 10 FHCDMN C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cc(Br)ccc1[O-] ZINC000363850498 942843951 /nfs/dbraw/zinc/84/39/51/942843951.db2.gz HOBFKFSZVHQWAM-LBPRGKRZSA-N 0 1 373.254 3.586 20 10 FHCDMN Cc1cc(C2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)n[nH]1 ZINC000272068418 943090989 /nfs/dbraw/zinc/09/09/89/943090989.db2.gz HKYNTFKZKAOAOV-UHFFFAOYSA-N 0 1 363.465 3.540 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccsc2)C1 ZINC000435543360 943478461 /nfs/dbraw/zinc/47/84/61/943478461.db2.gz VTGLCOQVTULFGY-UHFFFAOYSA-N 0 1 367.518 3.786 20 10 FHCDMN CCC1(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000435808793 943784394 /nfs/dbraw/zinc/78/43/94/943784394.db2.gz NPRNBDILZNDKCW-UHFFFAOYSA-N 0 1 353.510 3.714 20 10 FHCDMN CCC1(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCC1 ZINC000435829458 943800340 /nfs/dbraw/zinc/80/03/40/943800340.db2.gz ZKDOTTKAOLKABF-UHFFFAOYSA-N 0 1 353.510 3.857 20 10 FHCDMN COc1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1OC ZINC000894744670 944545147 /nfs/dbraw/zinc/54/51/47/944545147.db2.gz CMNZSGPWCSBAAB-GFCCVEGCSA-N 0 1 353.340 3.604 20 10 FHCDMN COc1ccc(O)c([C@H](C)N[C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280947454 945476381 /nfs/dbraw/zinc/47/63/81/945476381.db2.gz JIBPYVRESRTDDK-XHDPSFHLSA-N 0 1 371.355 3.684 20 10 FHCDMN CC[C@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444126871 945950173 /nfs/dbraw/zinc/95/01/73/945950173.db2.gz MNDMWNRTWGFDAK-KRWDZBQOSA-N 0 1 353.510 3.809 20 10 FHCDMN COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756711473 945954422 /nfs/dbraw/zinc/95/44/22/945954422.db2.gz LCQVNZABDJSDIH-XHDPSFHLSA-N 0 1 366.255 3.548 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3CCC[C@H]32)C1 ZINC000444279597 946164879 /nfs/dbraw/zinc/16/48/79/946164879.db2.gz GIUGJOKQASRJPS-FXAWDEMLSA-N 0 1 365.521 3.809 20 10 FHCDMN Cc1cc(N2CCC([N@@H+](C)Cc3cccc(Cl)c3[O-])CC2)nc(C)n1 ZINC000367750903 946962970 /nfs/dbraw/zinc/96/29/70/946962970.db2.gz STRFXRPZVGKWNL-UHFFFAOYSA-N 0 1 360.889 3.553 20 10 FHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301260943 947256706 /nfs/dbraw/zinc/25/67/06/947256706.db2.gz VDUUZNRFSNUSDA-MRXNPFEDSA-N 0 1 358.873 3.790 20 10 FHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301260943 947256713 /nfs/dbraw/zinc/25/67/13/947256713.db2.gz VDUUZNRFSNUSDA-MRXNPFEDSA-N 0 1 358.873 3.790 20 10 FHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001141374763 947848756 /nfs/dbraw/zinc/84/87/56/947848756.db2.gz OOFBXAUTTJFVPE-SNVBAGLBSA-N 0 1 366.683 3.838 20 10 FHCDMN CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000925775568 948045580 /nfs/dbraw/zinc/04/55/80/948045580.db2.gz HLBDBJDCEFBSNZ-TVQRCGJNSA-N 0 1 353.240 3.985 20 10 FHCDMN COc1ccc(O)c(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000833733881 605240649 /nfs/dbraw/zinc/24/06/49/605240649.db2.gz UTOPGPHNKGTDTL-INIZCTEOSA-N 0 1 370.232 3.965 20 10 FHCDMN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)cn1 ZINC000274964564 929087745 /nfs/dbraw/zinc/08/77/45/929087745.db2.gz XDOVVKUOPWYGNZ-OAHLLOKOSA-N 0 1 359.901 3.795 20 10 FHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1[O-] ZINC000375298171 930221998 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ZINC000153343434 936124022 /nfs/dbraw/zinc/12/40/22/936124022.db2.gz QSMNFOYDVQONHM-UHFFFAOYSA-N 0 1 362.832 3.579 20 10 FHCDMN Cc1cc(C(=O)N2CCC(c3cn[nH]c3C)CC2)c(C)n1-c1ccccn1 ZINC000375991487 940159080 /nfs/dbraw/zinc/15/90/80/940159080.db2.gz MMYJOEOEINPCPQ-UHFFFAOYSA-N 0 1 363.465 3.540 20 10 FHCDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000382534358 940340068 /nfs/dbraw/zinc/34/00/68/940340068.db2.gz NIXWFOMFKXDKOA-LSDHHAIUSA-N 0 1 354.878 3.971 20 10 FHCDMN Cc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4c3[O-])C2)no1 ZINC000376304417 940736546 /nfs/dbraw/zinc/73/65/46/940736546.db2.gz FJBNRQUTQNTVJK-WMLDXEAASA-N 0 1 366.465 3.552 20 10 FHCDMN O=C(NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1)C1CCCCC1 ZINC000122328931 941528404 /nfs/dbraw/zinc/52/84/04/941528404.db2.gz UALITUSDAVEZDY-UHFFFAOYSA-N 0 1 350.890 3.707 20 10 FHCDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(S(=O)(=O)CC)s2)cc1 ZINC000280210550 942130174 /nfs/dbraw/zinc/13/01/74/942130174.db2.gz UDTZUJUFMIKQAT-CQSZACIVSA-N 0 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366.259 3.526 20 10 FHCDMN CCN1CCN(c2ccc(CNc3ncnc4ccccc43)cc2F)CC1 ZINC000301200825 947229407 /nfs/dbraw/zinc/22/94/07/947229407.db2.gz QGACKITVCODNBE-UHFFFAOYSA-N 0 1 365.456 3.523 20 10 FHCDMN COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000165171421 947701329 /nfs/dbraw/zinc/70/13/29/947701329.db2.gz WGAZUOSWOIRPBV-CQSZACIVSA-N 0 1 362.420 3.661 20 10 FHCDMN COc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1OC ZINC000165950536 948081193 /nfs/dbraw/zinc/08/11/93/948081193.db2.gz CTABKSNYRMQREL-OAHLLOKOSA-N 0 1 374.456 3.530 20 10 FHCDMN CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1cc(Br)ccc1O ZINC000829718730 601837933 /nfs/dbraw/zinc/83/79/33/601837933.db2.gz PZHAMJANCGQNPO-UHFFFAOYSA-N 0 1 370.268 3.937 20 10 FHCDMN C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000825977019 608521496 /nfs/dbraw/zinc/52/14/96/608521496.db2.gz VWNRRXMZSGETBE-UHFFFAOYSA-N 0 1 364.236 3.511 20 10 FHCDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[nH]1 ZINC000161471397 936335643 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Cc1nc2c(cccc2NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC001167437400 931281729 /nfs/dbraw/zinc/28/17/29/931281729.db2.gz USZMDXOVUWWBIG-UHFFFAOYSA-N 0 1 352.507 3.969 20 10 FHCDMN C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000101595654 932982149 /nfs/dbraw/zinc/98/21/49/932982149.db2.gz ZJZZYDOJLGYUDV-BETUJISGSA-N 0 1 361.313 3.678 20 10 FHCDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n[nH]1 ZINC000161078370 933082027 /nfs/dbraw/zinc/08/20/27/933082027.db2.gz VSKGDSFMTKNAGW-CQSZACIVSA-N 0 1 350.466 3.795 20 10 FHCDMN CCCOc1ccc(CN[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(O)c1 ZINC000278782095 939011655 /nfs/dbraw/zinc/01/16/55/939011655.db2.gz PRYHQDUSBXCGDS-CQSZACIVSA-N 0 1 367.453 3.520 20 10 FHCDMN C[C@@H]1[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCCN1C(=O)OC(C)(C)C ZINC000310052696 939113772 /nfs/dbraw/zinc/11/37/72/939113772.db2.gz HVLQEJTXLRTJSQ-IUODEOHRSA-N 0 1 354.878 3.923 20 10 FHCDMN COc1ccc(N2CCCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000179550260 939887389 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FHCDMN Cc1nnc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)[nH]1 ZINC000728703247 941765000 /nfs/dbraw/zinc/76/50/00/941765000.db2.gz PCVFBAHXWUSPLI-UHFFFAOYSA-N 0 1 374.242 3.535 20 10 FHCDMN Cc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 ZINC000728703247 941765004 /nfs/dbraw/zinc/76/50/04/941765004.db2.gz PCVFBAHXWUSPLI-UHFFFAOYSA-N 0 1 374.242 3.535 20 10 FHCDMN CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccc(Br)cn2)c1O ZINC000280326817 942161023 /nfs/dbraw/zinc/16/10/23/942161023.db2.gz HKAGQPOBXNLOHD-VIFPVBQESA-N 0 1 367.218 3.742 20 10 FHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1[O-] ZINC000280326817 942161027 /nfs/dbraw/zinc/16/10/27/942161027.db2.gz HKAGQPOBXNLOHD-VIFPVBQESA-N 0 1 367.218 3.742 20 10 FHCDMN CC(C)N1CCc2nc(CN(C)Cc3ccc(N(C)C)cc3)sc2C1 ZINC000363843714 942821509 /nfs/dbraw/zinc/82/15/09/942821509.db2.gz GYVRDINVCQGHAN-UHFFFAOYSA-N 0 1 358.555 3.608 20 10 FHCDMN Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])[C@H](C)C2)s1 ZINC000363858839 942866124 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COc1ccc(CNCc2ccncc2OCCC(C)(C)C)c(O)c1OC ZINC000894517193 945873401 /nfs/dbraw/zinc/87/34/01/945873401.db2.gz RYPQPAWWZZWDPH-UHFFFAOYSA-N 0 1 374.481 3.909 20 10 FHCDMN Cn1ccnc1[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1F ZINC000365360595 568560267 /nfs/dbraw/zinc/56/02/67/568560267.db2.gz MNKJMEYKGSYYRE-KRWDZBQOSA-N 0 1 363.795 3.937 20 10 FHCDMN C[N@H+](Cc1csc(-c2cccc(C(=O)[O-])c2)n1)Cc1ccccc1O ZINC000830869985 601007100 /nfs/dbraw/zinc/00/71/00/601007100.db2.gz WKJXKQNKQFXQSB-UHFFFAOYSA-N 0 1 354.431 3.846 20 10 FHCDMN C[N@@H+](Cc1csc(-c2cccc(C(=O)[O-])c2)n1)Cc1ccccc1O ZINC000830869985 601007102 /nfs/dbraw/zinc/00/71/02/601007102.db2.gz WKJXKQNKQFXQSB-UHFFFAOYSA-N 0 1 354.431 3.846 20 10 FHCDMN Oc1ccccc1C[N@H+](Cc1cccc(-c2nn[n-]n2)c1F)C1CCCC1 ZINC000826511128 608395346 /nfs/dbraw/zinc/39/53/46/608395346.db2.gz CXNBFIAEQBOURI-UHFFFAOYSA-N 0 1 367.428 3.656 20 10 FHCDMN Oc1ccccc1C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1F)C1CCCC1 ZINC000826511128 608395348 /nfs/dbraw/zinc/39/53/48/608395348.db2.gz CXNBFIAEQBOURI-UHFFFAOYSA-N 0 1 367.428 3.656 20 10 FHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@@H]2COC[C@@H]21 ZINC000708210815 937162942 /nfs/dbraw/zinc/16/29/42/937162942.db2.gz HWRHCMDZMNDFJH-WCQYABFASA-N 0 1 360.679 3.665 20 10 FHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCCOCC2)c(=O)c1-c1ccccc1 ZINC000748072130 928210227 /nfs/dbraw/zinc/21/02/27/928210227.db2.gz ATWDGRIFRVGHEC-UHFFFAOYSA-N 0 1 365.429 3.696 20 10 FHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2CCCOCC2)c(=O)c1-c1ccccc1 ZINC000748072130 928210238 /nfs/dbraw/zinc/21/02/38/928210238.db2.gz ATWDGRIFRVGHEC-UHFFFAOYSA-N 0 1 365.429 3.696 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCC2(C)CC2)C1 ZINC000471233332 929383780 /nfs/dbraw/zinc/38/37/80/929383780.db2.gz IZWNXOLUAHHNOE-UHFFFAOYSA-N 0 1 353.510 3.714 20 10 FHCDMN CSCCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134269435 930857027 /nfs/dbraw/zinc/85/70/27/930857027.db2.gz UJCFUTQOMXGAHL-INIZCTEOSA-N 0 1 370.946 3.660 20 10 FHCDMN Cc1ccc2nc([C@H]3CCCN3C(=O)C=Cc3ccc(O)c(O)c3)[nH]c2c1 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C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cncs1 ZINC000163399403 938365070 /nfs/dbraw/zinc/36/50/70/938365070.db2.gz IEEXFJIPJDYNTA-LBPRGKRZSA-N 0 1 371.428 3.849 20 10 FHCDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000177263934 940064340 /nfs/dbraw/zinc/06/43/40/940064340.db2.gz NJZUKGIYGLKKIB-QGZVFWFLSA-N 0 1 350.890 3.699 20 10 FHCDMN CC[C@@H]([NH2+]CCc1nnc(C)s1)c1cc(Br)ccc1[O-] ZINC000289840074 940497735 /nfs/dbraw/zinc/49/77/35/940497735.db2.gz PVSUABYJKCXFTP-GFCCVEGCSA-N 0 1 356.289 3.598 20 10 FHCDMN Brc1ccsc1CNCc1ccc(N2CCOCC2)cc1 ZINC000105467858 941132446 /nfs/dbraw/zinc/13/24/46/941132446.db2.gz XKHFNYMSBRSVBW-UHFFFAOYSA-N 0 1 367.312 3.637 20 10 FHCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000066700823 941224835 /nfs/dbraw/zinc/22/48/35/941224835.db2.gz BCWPHKSBXSQDIG-LJQANCHMSA-N 0 1 373.472 3.756 20 10 FHCDMN Cc1ccc(-c2nc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cs2)cc1 ZINC000728696854 941674125 /nfs/dbraw/zinc/67/41/25/941674125.db2.gz 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CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(Cl)ccc1O ZINC000160895276 932054687 /nfs/dbraw/zinc/05/46/87/932054687.db2.gz VQHQJCHNRJGFRJ-UHFFFAOYSA-N 0 1 362.857 3.905 20 10 FHCDMN Cc1nc(F)ccc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000278294609 938289928 /nfs/dbraw/zinc/28/99/28/938289928.db2.gz BZIFEQFTHRIGFQ-OKILXGFUSA-N 0 1 361.436 3.572 20 10 FHCDMN CC[C@@H](c1ccccc1[O-])[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377689580 941903951 /nfs/dbraw/zinc/90/39/51/941903951.db2.gz BKCKSSDFGXBBBX-NBHGPNQESA-N 0 1 356.514 3.592 20 10 FHCDMN CC[C@@H](c1ccccc1[O-])[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377689580 941903957 /nfs/dbraw/zinc/90/39/57/941903957.db2.gz BKCKSSDFGXBBBX-NBHGPNQESA-N 0 1 356.514 3.592 20 10 FHCDMN C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Cl)ccc1[O-] ZINC000760015704 942117583 /nfs/dbraw/zinc/11/75/83/942117583.db2.gz GMSMZEYFWVMUAO-LPHOPBHVSA-N 0 1 374.912 3.987 20 10 FHCDMN C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571584 942245767 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COc1ccc(O)c([C@H](C)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000376893846 941461427 /nfs/dbraw/zinc/46/14/27/941461427.db2.gz QPDMKVGWGPONLR-UGSOOPFHSA-N 0 1 368.437 3.894 20 10 FHCDMN CC[C@H](c1ccccc1[O-])[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377689579 941904131 /nfs/dbraw/zinc/90/41/31/941904131.db2.gz BKCKSSDFGXBBBX-LDQXTDLNSA-N 0 1 356.514 3.592 20 10 FHCDMN CC[C@H](c1ccccc1[O-])[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377689579 941904138 /nfs/dbraw/zinc/90/41/38/941904138.db2.gz BKCKSSDFGXBBBX-LDQXTDLNSA-N 0 1 356.514 3.592 20 10 FHCDMN C[N@H+](Cc1cc(F)ccc1O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377917934 942071190 /nfs/dbraw/zinc/07/11/90/942071190.db2.gz KQGNWHLLBNEYBD-UHFFFAOYSA-N 0 1 371.456 3.907 20 10 FHCDMN CC[C@@H](N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(C)cc1O ZINC000280007354 942085295 /nfs/dbraw/zinc/08/52/95/942085295.db2.gz GLCNWGOJNWIPRO-GOEBONIOSA-N 0 1 351.454 3.991 20 10 FHCDMN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000280121802 942106272 /nfs/dbraw/zinc/10/62/72/942106272.db2.gz OHMYUSJDIIUWFV-SNVBAGLBSA-N 0 1 359.900 3.752 20 10 FHCDMN Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CCC2 ZINC000363860835 942870802 /nfs/dbraw/zinc/87/08/02/942870802.db2.gz HLXHYPTVWBNQSC-QWHCGFSZSA-N 0 1 364.287 3.888 20 10 FHCDMN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc2ccccc2c1[O-] ZINC000273304940 942928256 /nfs/dbraw/zinc/92/82/56/942928256.db2.gz CLRDVXJQWWKSEL-INIZCTEOSA-N 0 1 363.461 3.628 20 10 FHCDMN COc1cc(Cl)cc(CN2CCC(c3noc(C(C)C)n3)CC2)c1O ZINC000273611080 942995923 /nfs/dbraw/zinc/99/59/23/942995923.db2.gz AIVQKVGHIXUEGC-UHFFFAOYSA-N 0 1 365.861 3.940 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000435526961 943466600 /nfs/dbraw/zinc/46/66/00/943466600.db2.gz KAGGBQKHDLMSDH-UHFFFAOYSA-N 0 1 365.521 3.713 20 10 FHCDMN CN1CCC(N2C(=O)/C(=C/c3cccc4cccnc34)SC2=S)CC1 ZINC000126477654 943759695 /nfs/dbraw/zinc/75/96/95/943759695.db2.gz HIKNODBSHBXJOE-VBKFSLOCSA-N 0 1 369.515 3.530 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2(C)CCCC2)C1 ZINC000435875472 943829167 /nfs/dbraw/zinc/82/91/67/943829167.db2.gz CZCMDNBGSWBKNG-UHFFFAOYSA-N 0 1 353.510 3.857 20 10 FHCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC000781897131 943898428 /nfs/dbraw/zinc/89/84/28/943898428.db2.gz OPVOBIVBSBBRHH-LBPRGKRZSA-N 0 1 366.259 3.534 20 10 FHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000894752065 944552456 /nfs/dbraw/zinc/55/24/56/944552456.db2.gz GWJRBXRUFFLVOG-UHFFFAOYSA-N 0 1 358.251 3.685 20 10 FHCDMN COc1ccc(O)c([C@@H](C)N[C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280947446 945476701 /nfs/dbraw/zinc/47/67/01/945476701.db2.gz JIBPYVRESRTDDK-IAQYHMDHSA-N 0 1 371.355 3.684 20 10 FHCDMN Cc1nn(C(C)C)cc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000281449903 945636909 /nfs/dbraw/zinc/63/69/09/945636909.db2.gz STAPJPXQCVEFDO-HOTGVXAUSA-N 0 1 374.504 3.815 20 10 FHCDMN C[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367437 947706051 /nfs/dbraw/zinc/70/60/51/947706051.db2.gz AAGVYBHZFCYTKD-OAHLLOKOSA-N 0 1 362.695 3.793 20 10 FHCDMN CCN(CC)CC[N@H+](CC)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373231 947823700 /nfs/dbraw/zinc/82/37/00/947823700.db2.gz SQRWDQUNTALDAL-UHFFFAOYSA-N 0 1 363.727 3.972 20 10 FHCDMN CCN(CC)CC[N@@H+](CC)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373231 947823705 /nfs/dbraw/zinc/82/37/05/947823705.db2.gz SQRWDQUNTALDAL-UHFFFAOYSA-N 0 1 363.727 3.972 20 10 FHCDMN CC[N@@H+](C)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141374392 947848856 /nfs/dbraw/zinc/84/88/56/947848856.db2.gz HFBMPAIIXSXZNN-UHFFFAOYSA-N 0 1 361.711 3.724 20 10 FHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1F ZINC000066969998 948126256 /nfs/dbraw/zinc/12/62/56/948126256.db2.gz OKEBBYOLVSUQHS-CYBMUJFWSA-N 0 1 350.384 3.791 20 10 FHCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000829497024 600851360 /nfs/dbraw/zinc/85/13/60/600851360.db2.gz VDOWGZUHFUEJEY-OAHLLOKOSA-N 0 1 370.449 3.638 20 10 FHCDMN COc1ccc2ccc(O)c(C[N@@H+](C3CC3)C3CCN(C(=O)[O-])CC3)c2c1 ZINC000739943135 601912599 /nfs/dbraw/zinc/91/25/99/601912599.db2.gz TXERHGOMDPJMAP-UHFFFAOYSA-N 0 1 370.449 3.661 20 10 FHCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000828359702 605495025 /nfs/dbraw/zinc/49/50/25/605495025.db2.gz DBEAYFCJIXKZRB-UHFFFAOYSA-N 0 1 354.454 3.794 20 10 FHCDMN CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1[O-] ZINC000824293189 608531311 /nfs/dbraw/zinc/53/13/11/608531311.db2.gz HOTOXIPQGLSQBX-UHFFFAOYSA-N 0 1 357.845 3.636 20 10 FHCDMN CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1[O-] ZINC000824293189 608531312 /nfs/dbraw/zinc/53/13/12/608531312.db2.gz HOTOXIPQGLSQBX-UHFFFAOYSA-N 0 1 357.845 3.636 20 10 FHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511293 608858989 /nfs/dbraw/zinc/85/89/89/608858989.db2.gz JRSUKUFCSHKTPE-UHFFFAOYSA-N 0 1 367.840 3.515 20 10 FHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511293 608858991 /nfs/dbraw/zinc/85/89/91/608858991.db2.gz JRSUKUFCSHKTPE-UHFFFAOYSA-N 0 1 367.840 3.515 20 10 FHCDMN O=C(Nc1ccccc1O)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000121375959 936315274 /nfs/dbraw/zinc/31/52/74/936315274.db2.gz GFAMWDMDYSWDPK-UHFFFAOYSA-N 0 1 360.841 3.602 20 10 FHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000382441309 929674325 /nfs/dbraw/zinc/67/43/25/929674325.db2.gz FPYJWMBCPZLRCG-CHWSQXEVSA-N 0 1 354.878 3.829 20 10 FHCDMN CCN(CC)c1ccc(CN[C@@H]2CCCc3cn(CCOC)nc32)cc1 ZINC000374712890 929892095 /nfs/dbraw/zinc/89/20/95/929892095.db2.gz DPAVHSLHMGGNOS-HXUWFJFHSA-N 0 1 356.514 3.543 20 10 FHCDMN C[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nnc[nH]1 ZINC000255149407 930060389 /nfs/dbraw/zinc/06/03/89/930060389.db2.gz IUSJJBXZWPFGSB-CYBMUJFWSA-N 0 1 363.425 3.777 20 10 FHCDMN CN1CCN(c2ccc(CNc3ccc(C4=CCOCC4)cc3)cc2)CC1 ZINC001167431234 931041869 /nfs/dbraw/zinc/04/18/69/931041869.db2.gz NOVMKFTVBXKQAI-UHFFFAOYSA-N 0 1 363.505 3.854 20 10 FHCDMN CC(C)[S@](=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001167434320 931140935 /nfs/dbraw/zinc/14/09/35/931140935.db2.gz IWUYGTCEFOLXSD-SANMLTNESA-N 0 1 371.550 3.567 20 10 FHCDMN CN1CCN(c2ccc(CNc3c(F)cc4ncccc4c3F)cc2)CC1 ZINC001167434903 931160348 /nfs/dbraw/zinc/16/03/48/931160348.db2.gz YTPJKUZMYOBGTO-UHFFFAOYSA-N 0 1 368.431 3.877 20 10 FHCDMN Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000093275248 934114771 /nfs/dbraw/zinc/11/47/71/934114771.db2.gz HTZMAIZMRNASRD-CQSZACIVSA-N 0 1 363.502 3.929 20 10 FHCDMN Cn1nnnc1-c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000121724023 934995948 /nfs/dbraw/zinc/99/59/48/934995948.db2.gz SOPQAZCSORDECU-UHFFFAOYSA-N 0 1 350.209 3.502 20 10 FHCDMN CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Br)ccc1[O-] ZINC000050182507 935929031 /nfs/dbraw/zinc/92/90/31/935929031.db2.gz NQUVIBYDJIWBRL-HNNXBMFYSA-N 0 1 352.276 3.860 20 10 FHCDMN CCN(C)[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000728602794 939126741 /nfs/dbraw/zinc/12/67/41/939126741.db2.gz OIQLVJBOWJQMMF-NRFANRHFSA-N 0 1 353.510 3.842 20 10 FHCDMN CCCN(CC(=O)Nc1ccccc1C)Cc1cccc(OCC)c1O ZINC000179609836 939894127 /nfs/dbraw/zinc/89/41/27/939894127.db2.gz ALSWBERRBZDGHF-UHFFFAOYSA-N 0 1 356.466 3.950 20 10 FHCDMN CCc1oc(C(=O)OC)cc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000177153407 939970699 /nfs/dbraw/zinc/97/06/99/939970699.db2.gz KRHZYMKWOUVRNH-QGZVFWFLSA-N 0 1 373.449 3.515 20 10 FHCDMN COc1cc(Cl)cc(CN2CCC(c3noc(C(F)F)n3)CC2)c1O ZINC000376035673 940219294 /nfs/dbraw/zinc/21/92/94/940219294.db2.gz UCGCUKQFQUEGLA-UHFFFAOYSA-N 0 1 373.787 3.754 20 10 FHCDMN CN(C)c1ccc(CN2CCC(c3noc(C(F)F)n3)CC2)cc1F ZINC000376044743 940233046 /nfs/dbraw/zinc/23/30/46/940233046.db2.gz UQLFCXPTVCSKSS-UHFFFAOYSA-N 0 1 354.376 3.592 20 10 FHCDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000382534353 940342645 /nfs/dbraw/zinc/34/26/45/940342645.db2.gz NIXWFOMFKXDKOA-HUUCEWRRSA-N 0 1 354.878 3.971 20 10 FHCDMN COc1ccc(N2CCCN(Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000378352659 942634741 /nfs/dbraw/zinc/63/47/41/942634741.db2.gz ZDRDMPJFNXQJKS-LJQANCHMSA-N 0 1 373.522 3.716 20 10 FHCDMN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)ccc1[O-] ZINC000363855747 942860684 /nfs/dbraw/zinc/86/06/84/942860684.db2.gz NPGSBONDHNFJCN-GFCCVEGCSA-N 0 1 373.254 3.586 20 10 FHCDMN C[C@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc2ccccc2c1[O-] ZINC000363866650 942892544 /nfs/dbraw/zinc/89/25/44/942892544.db2.gz OXZGXQSZPIOOAJ-YJBOKZPZSA-N 0 1 361.445 3.506 20 10 FHCDMN C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc2ccccc2c1[O-] ZINC000363866648 942892716 /nfs/dbraw/zinc/89/27/16/942892716.db2.gz OXZGXQSZPIOOAJ-QAPCUYQASA-N 0 1 361.445 3.506 20 10 FHCDMN COCC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000272514646 943169499 /nfs/dbraw/zinc/16/94/99/943169499.db2.gz GXVMFPWURAOPTR-YJBOKZPZSA-N 0 1 362.445 3.684 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000435568400 943490500 /nfs/dbraw/zinc/49/05/00/943490500.db2.gz OUTBPFBJFOAWRH-INIZCTEOSA-N 0 1 353.510 3.665 20 10 FHCDMN C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Br)ccc1[O-] ZINC000367439756 943626355 /nfs/dbraw/zinc/62/63/55/943626355.db2.gz WUODRGQVHWQCLE-LLVKDONJSA-N 0 1 350.260 3.538 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC2(C)C)C1 ZINC000436014520 943954148 /nfs/dbraw/zinc/95/41/48/943954148.db2.gz FGFVMFNZVNYTBW-UHFFFAOYSA-N 0 1 353.510 3.809 20 10 FHCDMN CN(Cc1cnc(-c2ccco2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000194315084 944652199 /nfs/dbraw/zinc/65/21/99/944652199.db2.gz APNVOXRJDWKCHV-UHFFFAOYSA-N 0 1 369.490 3.872 20 10 FHCDMN Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756635272 945054800 /nfs/dbraw/zinc/05/48/00/945054800.db2.gz FPVPCHRHMHQCTH-MLGOLLRUSA-N 0 1 350.256 3.847 20 10 FHCDMN C[C@H](NCc1ccncc1OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000281744455 945826911 /nfs/dbraw/zinc/82/69/11/945826911.db2.gz VRGIHDPOQTUCRG-ZDUSSCGKSA-N 0 1 353.388 3.940 20 10 FHCDMN C[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367436 947706454 /nfs/dbraw/zinc/70/64/54/947706454.db2.gz AAGVYBHZFCYTKD-HNNXBMFYSA-N 0 1 362.695 3.793 20 10 FHCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1F ZINC000066969997 948126850 /nfs/dbraw/zinc/12/68/50/948126850.db2.gz OKEBBYOLVSUQHS-ZDUSSCGKSA-N 0 1 350.384 3.791 20 10 FHCDMN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)Cc1cccc2cccnc21 ZINC000739793184 600144959 /nfs/dbraw/zinc/14/49/59/600144959.db2.gz BNUXMXYGMJMCEY-UHFFFAOYSA-N 0 1 356.809 3.681 20 10 FHCDMN Cc1cc(C[N@@H+](CCC(=O)[O-])Cc2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000832881711 601560603 /nfs/dbraw/zinc/56/06/03/601560603.db2.gz KPPWVPOYGDFMOJ-UHFFFAOYSA-N 0 1 356.466 3.870 20 10 FHCDMN Cc1cc(O)c(C[N@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1C ZINC000833746573 604675973 /nfs/dbraw/zinc/67/59/73/604675973.db2.gz COTLLWSJYOCGHJ-QGZVFWFLSA-N 0 1 353.340 3.684 20 10 FHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCc3sccc3C2)c1[O-] ZINC000728194333 928052617 /nfs/dbraw/zinc/05/26/17/928052617.db2.gz KQTKSCOAIKIRIQ-UHFFFAOYSA-N 0 1 365.454 3.949 20 10 FHCDMN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc2ccccc2c1[O-] ZINC000274821849 928820393 /nfs/dbraw/zinc/82/03/93/928820393.db2.gz YNBIRXWMXXJJPV-MRXNPFEDSA-N 0 1 363.461 3.628 20 10 FHCDMN OC1CCN(c2ccc(CNCc3cc(F)cc(Cl)c3)cc2F)CC1 ZINC000274945824 929075038 /nfs/dbraw/zinc/07/50/38/929075038.db2.gz CJJMKSFLFUSIHZ-UHFFFAOYSA-N 0 1 366.839 3.869 20 10 FHCDMN CC[C@H]([NH2+]CCCc1nc(C)no1)c1cc(Br)ccc1[O-] ZINC000274958506 929077158 /nfs/dbraw/zinc/07/71/58/929077158.db2.gz WEKOXBRLUJWUOH-ZDUSSCGKSA-N 0 1 354.248 3.520 20 10 FHCDMN CCc1nc(Cl)c(NCc2ccc(N3CCN(C)CC3)cc2)nc1CC ZINC001167431117 931032082 /nfs/dbraw/zinc/03/20/82/931032082.db2.gz HXVFECNQMBZSKZ-UHFFFAOYSA-N 0 1 373.932 3.619 20 10 FHCDMN COc1ccc(C[N@@H+](C)Cc2cccc(Br)c2[O-])c(OC)c1 ZINC000160835335 931776797 /nfs/dbraw/zinc/77/67/97/931776797.db2.gz XONHRWDHDLKPMU-UHFFFAOYSA-N 0 1 366.255 3.804 20 10 FHCDMN Oc1ccccc1CN(Cc1ccco1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891395275 932052519 /nfs/dbraw/zinc/05/25/19/932052519.db2.gz XEAFIMXCMSLCRX-MSOLQXFVSA-N 0 1 361.413 3.621 20 10 FHCDMN NC(=O)CCOc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000121421667 932373314 /nfs/dbraw/zinc/37/33/14/932373314.db2.gz QSWNXWIVDVBTGF-UHFFFAOYSA-N 0 1 355.221 3.565 20 10 FHCDMN CC[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)ccc1[O-] ZINC000156656902 934841665 /nfs/dbraw/zinc/84/16/65/934841665.db2.gz WRMDGBJJPRBEJS-MRXNPFEDSA-N 0 1 372.303 3.781 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)cn2)C1 ZINC000582159960 935360171 /nfs/dbraw/zinc/36/01/71/935360171.db2.gz LBWJUXVBPNVNRB-UHFFFAOYSA-N 0 1 366.440 3.581 20 10 FHCDMN C[C@@H](c1ccccc1)N(CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000176673700 935751125 /nfs/dbraw/zinc/75/11/25/935751125.db2.gz NPLFNARLZSGUSH-KRWDZBQOSA-N 0 1 364.445 3.865 20 10 FHCDMN C[C@H](c1ccccc1)N(CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000176673718 935751310 /nfs/dbraw/zinc/75/13/10/935751310.db2.gz NPLFNARLZSGUSH-QGZVFWFLSA-N 0 1 364.445 3.865 20 10 FHCDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n[nH]1 ZINC000161334313 935866627 /nfs/dbraw/zinc/86/66/27/935866627.db2.gz DCGZSABNEDAQOE-GFCCVEGCSA-N 0 1 354.429 3.626 20 10 FHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cncs1 ZINC000163399497 938366857 /nfs/dbraw/zinc/36/68/57/938366857.db2.gz IEEXFJIPJDYNTA-GFCCVEGCSA-N 0 1 371.428 3.849 20 10 FHCDMN Cc1nc2ccccc2nc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176798559 938440465 /nfs/dbraw/zinc/44/04/65/938440465.db2.gz QCUMBUIHUGIFMI-SFHVURJKSA-N 0 1 363.461 3.825 20 10 FHCDMN CCCN(CC(=O)Nc1ccccc1OC)Cc1cccc(OCC)c1O ZINC000179627576 939903734 /nfs/dbraw/zinc/90/37/34/939903734.db2.gz UKSHNPWGILSXIU-UHFFFAOYSA-N 0 1 372.465 3.650 20 10 FHCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000066697557 941221132 /nfs/dbraw/zinc/22/11/32/941221132.db2.gz ZDYYVXNTDXVKCM-IBGZPJMESA-N 0 1 373.472 3.756 20 10 FHCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000066697558 941221170 /nfs/dbraw/zinc/22/11/70/941221170.db2.gz ZDYYVXNTDXVKCM-LJQANCHMSA-N 0 1 373.472 3.756 20 10 FHCDMN COc1ccc(O)c([C@@H](C)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000376891909 941460995 /nfs/dbraw/zinc/46/09/95/941460995.db2.gz FWIIJSNEIGYDRT-FZKQIMNGSA-N 0 1 368.437 3.894 20 10 FHCDMN COc1ccccc1N1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000024102481 941751493 /nfs/dbraw/zinc/75/14/93/941751493.db2.gz PNXUBCRFIKRCOH-UHFFFAOYSA-N 0 1 370.493 3.726 20 10 FHCDMN C[N@H+](Cc1cccc(F)c1[O-])CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377927190 942071583 /nfs/dbraw/zinc/07/15/83/942071583.db2.gz ZFZSBPIKUNNTGP-UHFFFAOYSA-N 0 1 371.456 3.907 20 10 FHCDMN C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Br)cc(F)c1[O-] ZINC000363854834 942851104 /nfs/dbraw/zinc/85/11/04/942851104.db2.gz AHXJDRWYHFARMT-OQPBUACISA-N 0 1 354.223 3.745 20 10 FHCDMN Cn1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(C(C)(C)C)n1 ZINC000183513622 942882208 /nfs/dbraw/zinc/88/22/08/942882208.db2.gz YUSNDWZDNBQIAC-SFHVURJKSA-N 0 1 357.498 3.604 20 10 FHCDMN COc1cc(Cl)cc(CN[C@@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000363915894 943048182 /nfs/dbraw/zinc/04/81/82/943048182.db2.gz BMHCHOWSVKKVPI-GOSISDBHSA-N 0 1 357.841 3.667 20 10 FHCDMN C[NH+](C)C1CCN(c2ccc(NCc3cccc(Cl)c3[O-])nc2)CC1 ZINC000271788138 943050887 /nfs/dbraw/zinc/05/08/87/943050887.db2.gz GAKAIZMAXSIQOO-UHFFFAOYSA-N 0 1 360.889 3.583 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2CCCC2)C1 ZINC000435510831 943452098 /nfs/dbraw/zinc/45/20/98/943452098.db2.gz JMCLJBGPOMFQBK-UHFFFAOYSA-N 0 1 353.510 3.714 20 10 FHCDMN C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Br)ccc1[O-] ZINC000367439757 943626483 /nfs/dbraw/zinc/62/64/83/943626483.db2.gz WUODRGQVHWQCLE-NSHDSACASA-N 0 1 350.260 3.538 20 10 FHCDMN CN(C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1)C(=O)OC(C)(C)C ZINC000729465966 944413591 /nfs/dbraw/zinc/41/35/91/944413591.db2.gz IUHUBWKJCKQIGN-OAHLLOKOSA-N 0 1 371.481 3.629 20 10 FHCDMN CN(C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1)C(=O)OC(C)(C)C ZINC000729465966 944413595 /nfs/dbraw/zinc/41/35/95/944413595.db2.gz IUHUBWKJCKQIGN-OAHLLOKOSA-N 0 1 371.481 3.629 20 10 FHCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894779283 944594613 /nfs/dbraw/zinc/59/46/13/944594613.db2.gz FMDJOOLQUDFLPQ-SNVBAGLBSA-N 0 1 370.678 3.531 20 10 FHCDMN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000516238044 944605995 /nfs/dbraw/zinc/60/59/95/944605995.db2.gz GMGWCUWFEGPXJR-LLVKDONJSA-N 0 1 363.464 3.669 20 10 FHCDMN CCN(CC)CC(=O)Nc1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894785644 944613481 /nfs/dbraw/zinc/61/34/81/944613481.db2.gz XRTUCJQVZCABAH-UHFFFAOYSA-N 0 1 371.481 3.602 20 10 FHCDMN CCN1CCN(c2ccc(CNc3nnc(C(C)C)s3)cc2F)CC1 ZINC000301740534 945943296 /nfs/dbraw/zinc/94/32/96/945943296.db2.gz UKTHTPMZLAYLIW-UHFFFAOYSA-N 0 1 363.506 3.555 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC23CCC3)C1 ZINC000444327204 946588243 /nfs/dbraw/zinc/58/82/43/946588243.db2.gz JTQDGAKVRVTCNB-UHFFFAOYSA-N 0 1 365.521 3.953 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC3(CC3)C2)C1 ZINC000444360054 947147547 /nfs/dbraw/zinc/14/75/47/947147547.db2.gz BJZDKJYKADOFSN-UHFFFAOYSA-N 0 1 365.521 3.810 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC23CCCC3)C1 ZINC000652568447 947368410 /nfs/dbraw/zinc/36/84/10/947368410.db2.gz FDPIZKTUXSKRNK-UHFFFAOYSA-N 0 1 365.521 3.953 20 10 FHCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H](O)c1cccc(F)c1 ZINC000749118828 948165604 /nfs/dbraw/zinc/16/56/04/948165604.db2.gz QWUGUHWXWMXBLR-QFYYESIMSA-N 0 1 354.219 3.506 20 10 FHCDMN COc1ccc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000105697866 132239110 /nfs/dbraw/zinc/23/91/10/132239110.db2.gz XANVHQFLKAJBGI-UHFFFAOYSA-N 0 1 366.383 3.916 20 10 FHCDMN C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736573889 600370182 /nfs/dbraw/zinc/37/01/82/600370182.db2.gz YDGQQROPRJTOJY-AWEZNQCLSA-N 0 1 354.410 3.693 20 10 FHCDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000739582021 600419229 /nfs/dbraw/zinc/41/92/29/600419229.db2.gz CKRBXWFYJDQHPW-GFCCVEGCSA-N 0 1 364.239 3.605 20 10 FHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000740095635 601091955 /nfs/dbraw/zinc/09/19/55/601091955.db2.gz CWNAQZZIZRXNTB-UHFFFAOYSA-N 0 1 355.434 3.636 20 10 FHCDMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000817872975 601537872 /nfs/dbraw/zinc/53/78/72/601537872.db2.gz XTTGZBBZZSIDIE-RDTXWAMCSA-N 0 1 366.421 3.693 20 10 FHCDMN O=C([O-])NC[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000740630217 602311291 /nfs/dbraw/zinc/31/12/91/602311291.db2.gz HSXRJZGYEDTIGO-ZDUSSCGKSA-N 0 1 354.406 3.771 20 10 FHCDMN COc1cccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1O ZINC000833735028 604628670 /nfs/dbraw/zinc/62/86/70/604628670.db2.gz AHTJUJMONSFZFX-OAHLLOKOSA-N 0 1 370.232 3.965 20 10 FHCDMN O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000833226785 604765806 /nfs/dbraw/zinc/76/58/06/604765806.db2.gz HJRKOJDVRQSVNZ-UHFFFAOYSA-N 0 1 350.418 3.807 20 10 FHCDMN Oc1ccccc1C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCCO1 ZINC000160188212 927162399 /nfs/dbraw/zinc/16/23/99/927162399.db2.gz RWICWZKVPQLTRS-FQEVSTJZSA-N 0 1 351.446 3.849 20 10 FHCDMN C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000799727968 927808337 /nfs/dbraw/zinc/80/83/37/927808337.db2.gz CRMDQCMCDJYHKX-CZUORRHYSA-N 0 1 364.283 3.799 20 10 FHCDMN O=C(CCc1ccccc1)N1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000120407982 928326454 /nfs/dbraw/zinc/32/64/54/928326454.db2.gz XMHWSRNPIVKPGM-UHFFFAOYSA-N 0 1 372.896 3.713 20 10 FHCDMN O=C(NC1CCCCC1)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000748082551 928617981 /nfs/dbraw/zinc/61/79/81/928617981.db2.gz CSWOELJDPUDYGR-UHFFFAOYSA-N 0 1 367.493 3.601 20 10 FHCDMN COc1c([O-])c(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000278168590 937293813 /nfs/dbraw/zinc/29/38/13/937293813.db2.gz FPNQOTCBVCQBQH-AWEZNQCLSA-N 0 1 363.439 3.583 20 10 FHCDMN COc1c([O-])c(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000278168590 937293817 /nfs/dbraw/zinc/29/38/17/937293817.db2.gz FPNQOTCBVCQBQH-AWEZNQCLSA-N 0 1 363.439 3.583 20 10 FHCDMN COc1ccc(CNCc2cccc(C(=O)NCc3ccco3)c2)cc1C ZINC000048748460 930491530 /nfs/dbraw/zinc/49/15/30/930491530.db2.gz QUOPMVDDRORPJE-UHFFFAOYSA-N 0 1 364.445 3.816 20 10 FHCDMN Cc1nc(Cl)nc(NCc2ccc(N3CCN(C)CC3)cc2)c1C1CC1 ZINC001167431220 931039960 /nfs/dbraw/zinc/03/99/60/931039960.db2.gz MYTURYACWYZXOT-UHFFFAOYSA-N 0 1 371.916 3.680 20 10 FHCDMN Cc1c(NCc2ccc(N3CCN(C)CC3)cc2)cncc1-c1ccncc1 ZINC001167436955 931275688 /nfs/dbraw/zinc/27/56/88/931275688.db2.gz INXAVONWPWZZCH-UHFFFAOYSA-N 0 1 373.504 3.816 20 10 FHCDMN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000276650797 932818547 /nfs/dbraw/zinc/81/85/47/932818547.db2.gz WNAXNLBVYOGGPX-VWLOTQADSA-N 0 1 365.426 3.536 20 10 FHCDMN COc1ccc2ccc(O)c(CN3CCN([C@@H](C)C(F)(F)F)CC3)c2c1 ZINC000176069363 933408245 /nfs/dbraw/zinc/40/82/45/933408245.db2.gz BILRMVJYRRQQTK-ZDUSSCGKSA-N 0 1 368.399 3.622 20 10 FHCDMN C[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(F)c(F)c1O ZINC000276964813 934148830 /nfs/dbraw/zinc/14/88/30/934148830.db2.gz XATBYKAALJBLQA-LBPRGKRZSA-N 0 1 370.403 3.972 20 10 FHCDMN C[N@@H+](Cc1cccc(Br)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000179316017 939080623 /nfs/dbraw/zinc/08/06/23/939080623.db2.gz AEIMRTIHONRQIS-UHFFFAOYSA-N 0 1 351.200 3.695 20 10 FHCDMN CCOc1ccccc1[C@@H](CC)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000179739630 939928741 /nfs/dbraw/zinc/92/87/41/939928741.db2.gz DCXHPAMJMRAUGS-HXUWFJFHSA-N 0 1 369.509 3.508 20 10 FHCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000177235620 940038535 /nfs/dbraw/zinc/03/85/35/940038535.db2.gz VHVKURHHCJRDQM-CYBMUJFWSA-N 0 1 368.412 3.508 20 10 FHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000177235620 940038538 /nfs/dbraw/zinc/03/85/38/940038538.db2.gz VHVKURHHCJRDQM-CYBMUJFWSA-N 0 1 368.412 3.508 20 10 FHCDMN CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000177235620 940038541 /nfs/dbraw/zinc/03/85/41/940038541.db2.gz VHVKURHHCJRDQM-CYBMUJFWSA-N 0 1 368.412 3.508 20 10 FHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccoc1 ZINC000178189627 940789288 /nfs/dbraw/zinc/78/92/88/940789288.db2.gz VQFCWCMTSMKTQC-ZDUSSCGKSA-N 0 1 354.372 3.986 20 10 FHCDMN Cc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnc1F ZINC000892622456 940999826 /nfs/dbraw/zinc/99/98/26/940999826.db2.gz QEAIOQBIHSXAOY-GJZGRUSLSA-N 0 1 361.436 3.572 20 10 FHCDMN C[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571583 942245740 /nfs/dbraw/zinc/24/57/40/942245740.db2.gz HIENBTIAQBUZFX-LJQANCHMSA-N 0 1 365.521 3.814 20 10 FHCDMN C[C@H](C(=O)NC1CCCCC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571598 942245884 /nfs/dbraw/zinc/24/58/84/942245884.db2.gz GHKHXSIHZDVYQW-GOSISDBHSA-N 0 1 357.542 3.946 20 10 FHCDMN COc1ccc(O)c([C@H](C)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280947450 942819942 /nfs/dbraw/zinc/81/99/42/942819942.db2.gz JIBPYVRESRTDDK-NHYWBVRUSA-N 0 1 371.355 3.684 20 10 FHCDMN C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1cc(Cl)ccc1O ZINC000273410911 942950402 /nfs/dbraw/zinc/95/04/02/942950402.db2.gz PNOYATCDSOQOAJ-SECBINFHSA-N 0 1 370.762 3.958 20 10 FHCDMN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185487098 943174825 /nfs/dbraw/zinc/17/48/25/943174825.db2.gz FPVJLOXIXIEYEW-QKKBWIMNSA-N 0 1 367.445 3.947 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2)C1 ZINC000435644055 943524577 /nfs/dbraw/zinc/52/45/77/943524577.db2.gz BBJJEIOOOODABO-UHFFFAOYSA-N 0 1 361.489 3.724 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C=CCCC2)C1 ZINC000435814223 943787127 /nfs/dbraw/zinc/78/71/27/943787127.db2.gz RUAIZIYDMHPAGQ-QGZVFWFLSA-N 0 1 351.494 3.633 20 10 FHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000781902699 944009905 /nfs/dbraw/zinc/00/99/05/944009905.db2.gz SMYVHQIGLKCFCQ-ZDUSSCGKSA-N 0 1 364.287 3.576 20 10 FHCDMN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1O ZINC000759792382 944252136 /nfs/dbraw/zinc/25/21/36/944252136.db2.gz IECFJZBASYZJNP-UHFFFAOYSA-N 0 1 373.291 3.501 20 10 FHCDMN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000759792382 944252139 /nfs/dbraw/zinc/25/21/39/944252139.db2.gz IECFJZBASYZJNP-UHFFFAOYSA-N 0 1 373.291 3.501 20 10 FHCDMN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000759792382 944252143 /nfs/dbraw/zinc/25/21/43/944252143.db2.gz IECFJZBASYZJNP-UHFFFAOYSA-N 0 1 373.291 3.501 20 10 FHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000053529717 944309750 /nfs/dbraw/zinc/30/97/50/944309750.db2.gz MWIZUAWRRLXGAL-SFHVURJKSA-N 0 1 374.554 3.649 20 10 FHCDMN COc1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1OC ZINC000894744671 944545609 /nfs/dbraw/zinc/54/56/09/944545609.db2.gz CMNZSGPWCSBAAB-LBPRGKRZSA-N 0 1 353.340 3.604 20 10 FHCDMN CCN(CC)CC(=O)Nc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297259461 944771329 /nfs/dbraw/zinc/77/13/29/944771329.db2.gz JWUXLQSPYMAJGB-SFHVURJKSA-N 0 1 353.466 3.772 20 10 FHCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])NC(=O)OC(C)(C)C ZINC000195142816 944812441 /nfs/dbraw/zinc/81/24/41/944812441.db2.gz IAXMSDWURFYMJR-QWRGUYRKSA-N 0 1 373.291 3.719 20 10 FHCDMN COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280947442 945476812 /nfs/dbraw/zinc/47/68/12/945476812.db2.gz JIBPYVRESRTDDK-ABAIWWIYSA-N 0 1 371.355 3.684 20 10 FHCDMN COc1ccc(N2CCN(C[C@@H]3CC[C@@H](c4ccccc4)O3)CC2)cc1F ZINC001168066536 945936304 /nfs/dbraw/zinc/93/63/04/945936304.db2.gz AESBKHXPQDNHKF-FPOVZHCZSA-N 0 1 370.468 3.877 20 10 FHCDMN COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756711471 945954303 /nfs/dbraw/zinc/95/43/03/945954303.db2.gz LCQVNZABDJSDIH-IAQYHMDHSA-N 0 1 366.255 3.548 20 10 FHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(Cl)c1 ZINC000840876659 947280145 /nfs/dbraw/zinc/28/01/45/947280145.db2.gz RRFBKZPGTSTUEA-UHFFFAOYSA-N 0 1 358.869 3.766 20 10 FHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c(Cl)c1 ZINC000840876821 947301220 /nfs/dbraw/zinc/30/12/20/947301220.db2.gz OLYDNAUJTRVUSG-MRXNPFEDSA-N 0 1 366.914 3.579 20 10 FHCDMN Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3cc(Cl)cc(C)c3O)n2)c1 ZINC000278863943 947744529 /nfs/dbraw/zinc/74/45/29/947744529.db2.gz FDNZGQISPLJZEW-GFCCVEGCSA-N 0 1 357.845 3.693 20 10 FHCDMN CC(C)(C)c1cc(O)c(O)c(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000736294801 599778606 /nfs/dbraw/zinc/77/86/06/599778606.db2.gz RWILPAXPEXSXRX-UHFFFAOYSA-N 0 1 357.450 3.872 20 10 FHCDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000828028926 601890340 /nfs/dbraw/zinc/89/03/40/601890340.db2.gz IIZGDEJZZYZIOV-QGZVFWFLSA-N 0 1 364.239 3.605 20 10 FHCDMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1cc(Br)ccc1O ZINC000829718109 601962401 /nfs/dbraw/zinc/96/24/01/601962401.db2.gz CUWVGODEXAUKSV-UHFFFAOYSA-N 0 1 370.268 3.937 20 10 FHCDMN C[N@@H+](Cc1cc(F)ccc1O)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694287 605483093 /nfs/dbraw/zinc/48/30/93/605483093.db2.gz OPNIJOBMYKDNRQ-OAHLLOKOSA-N 0 1 368.202 3.552 20 10 FHCDMN Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000121997064 936313878 /nfs/dbraw/zinc/31/38/78/936313878.db2.gz CXPYKKHIFFYZOX-CQSZACIVSA-N 0 1 359.857 3.600 20 10 FHCDMN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000121997064 936313883 /nfs/dbraw/zinc/31/38/83/936313883.db2.gz CXPYKKHIFFYZOX-CQSZACIVSA-N 0 1 359.857 3.600 20 10 FHCDMN C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000799727966 927802950 /nfs/dbraw/zinc/80/29/50/927802950.db2.gz CRMDQCMCDJYHKX-BBRMVZONSA-N 0 1 364.283 3.799 20 10 FHCDMN C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000799727969 927807881 /nfs/dbraw/zinc/80/78/81/927807881.db2.gz CRMDQCMCDJYHKX-XJKSGUPXSA-N 0 1 364.283 3.799 20 10 FHCDMN CCc1cc2ncnc(NCc3ccc(N4CCN(C)CC4)cc3)c2s1 ZINC001167426183 930948669 /nfs/dbraw/zinc/94/86/69/930948669.db2.gz AHYDJQCZUNABDP-UHFFFAOYSA-N 0 1 367.522 3.618 20 10 FHCDMN CN1CCN(c2ccc(CNc3nc(Cl)cc4cc[nH]c43)cc2)CC1 ZINC001167426508 930949612 /nfs/dbraw/zinc/94/96/12/930949612.db2.gz HFHKVWOAKXGKNT-UHFFFAOYSA-N 0 1 355.873 3.580 20 10 FHCDMN Cc1csc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)nc12 ZINC001167426479 930950127 /nfs/dbraw/zinc/95/01/27/930950127.db2.gz GMFPESKOZJPFPO-UHFFFAOYSA-N 0 1 352.507 3.969 20 10 FHCDMN Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)nc(C)c1CC(C)C ZINC001167431024 931030994 /nfs/dbraw/zinc/03/09/94/931030994.db2.gz BVDXIKGXRNUVFD-UHFFFAOYSA-N 0 1 367.541 3.656 20 10 FHCDMN COc1ccc2cc(NCc3ccc(N4CCN(C)CC4)cc3)ccc2n1 ZINC001167431201 931037265 /nfs/dbraw/zinc/03/72/65/931037265.db2.gz MBYOLXPSWYMGND-UHFFFAOYSA-N 0 1 362.477 3.607 20 10 FHCDMN COc1ncc(NCc2ccc(N3CCN(C)CC3)cc2)c2ccccc21 ZINC001167434475 931143405 /nfs/dbraw/zinc/14/34/05/931143405.db2.gz LTSXKIUTWLPWMJ-UHFFFAOYSA-N 0 1 362.477 3.607 20 10 FHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000091957496 931293521 /nfs/dbraw/zinc/29/35/21/931293521.db2.gz MJVZMLXCHWVFAV-HOCLYGCPSA-N 0 1 366.255 3.836 20 10 FHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000091957496 931293529 /nfs/dbraw/zinc/29/35/29/931293529.db2.gz MJVZMLXCHWVFAV-HOCLYGCPSA-N 0 1 366.255 3.836 20 10 FHCDMN CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(OC)c(OC)c1O ZINC000891477154 932627835 /nfs/dbraw/zinc/62/78/35/932627835.db2.gz BEDQGXIXGTXJOG-UHFFFAOYSA-N 0 1 372.465 3.569 20 10 FHCDMN COc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c(O)c1OC ZINC000892075672 934941001 /nfs/dbraw/zinc/94/10/01/934941001.db2.gz LZUOKUPKFUZMSK-UHFFFAOYSA-N 0 1 373.293 3.726 20 10 FHCDMN CCCc1cccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000588506642 935311361 /nfs/dbraw/zinc/31/13/61/935311361.db2.gz AVWREUPJHFFNMS-GHRIWEEISA-N 0 1 360.548 3.935 20 10 FHCDMN O=C(c1ccccc1F)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113321709 935816448 /nfs/dbraw/zinc/81/64/48/935816448.db2.gz KQLLVDYFOAFKCI-UHFFFAOYSA-N 0 1 362.832 3.579 20 10 FHCDMN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCN(C)CC2)cc1 ZINC000255551942 936155170 /nfs/dbraw/zinc/15/51/70/936155170.db2.gz ASKLJJDEEQVUSB-UHFFFAOYSA-N 0 1 365.481 3.946 20 10 FHCDMN COc1ccc(N2CCC(NCc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000157333856 938356813 /nfs/dbraw/zinc/35/68/13/938356813.db2.gz IQYNBGGSAGAAPO-UHFFFAOYSA-N 0 1 371.428 3.929 20 10 FHCDMN COc1ccc(CNc2ccccc2CN2CCSCC2)c(O)c1OC ZINC000892352461 938380745 /nfs/dbraw/zinc/38/07/45/938380745.db2.gz IRPZNAMDRXABJD-UHFFFAOYSA-N 0 1 374.506 3.570 20 10 FHCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000310052964 939113751 /nfs/dbraw/zinc/11/37/51/939113751.db2.gz UKIYZVCPEYRXSF-DOMZBBRYSA-N 0 1 354.878 3.923 20 10 FHCDMN CN(C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000179450014 939164507 /nfs/dbraw/zinc/16/45/07/939164507.db2.gz ZARIXTBGWUOGHK-CYBMUJFWSA-N 0 1 354.878 3.734 20 10 FHCDMN CN(C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000179450014 939164509 /nfs/dbraw/zinc/16/45/09/939164509.db2.gz ZARIXTBGWUOGHK-CYBMUJFWSA-N 0 1 354.878 3.734 20 10 FHCDMN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793688 940025881 /nfs/dbraw/zinc/02/58/81/940025881.db2.gz QMMATKAQOHPQDA-YMRXKLBXSA-N 0 1 373.324 3.727 20 10 FHCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1[O-] ZINC000177279526 940073585 /nfs/dbraw/zinc/07/35/85/940073585.db2.gz GIIFNTHTSZEJEY-UHFFFAOYSA-N 0 1 367.424 3.990 20 10 FHCDMN CCN(CC)[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000729261602 941702817 /nfs/dbraw/zinc/70/28/17/941702817.db2.gz BCOJHFOTUZCYBZ-JOCHJYFZSA-N 0 1 365.521 3.768 20 10 FHCDMN Brc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000758458718 941703997 /nfs/dbraw/zinc/70/39/97/941703997.db2.gz NEXSTZPCAKDCCL-UHFFFAOYSA-N 0 1 358.239 3.829 20 10 FHCDMN CN(CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccccc1O ZINC000117881610 941709679 /nfs/dbraw/zinc/70/96/79/941709679.db2.gz GCXPEYQEIALRQR-JOCHJYFZSA-N 0 1 358.290 3.939 20 10 FHCDMN C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309809476 941770951 /nfs/dbraw/zinc/77/09/51/941770951.db2.gz MFLVDMXNOVCTMM-CQSZACIVSA-N 0 1 363.299 3.765 20 10 FHCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625391 941849978 /nfs/dbraw/zinc/84/99/78/941849978.db2.gz MGQKAASAJNZKPV-FUHWJXTLSA-N 0 1 358.486 3.521 20 10 FHCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625391 941849981 /nfs/dbraw/zinc/84/99/81/941849981.db2.gz MGQKAASAJNZKPV-FUHWJXTLSA-N 0 1 358.486 3.521 20 10 FHCDMN Cc1cccc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)c1O ZINC000180411878 942363871 /nfs/dbraw/zinc/36/38/71/942363871.db2.gz MLYHLZRCWCHTME-UHFFFAOYSA-N 0 1 351.349 3.663 20 10 FHCDMN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)ccc1[O-] ZINC000363855749 942860996 /nfs/dbraw/zinc/86/09/96/942860996.db2.gz NPGSBONDHNFJCN-LBPRGKRZSA-N 0 1 373.254 3.586 20 10 FHCDMN C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000273519239 942976150 /nfs/dbraw/zinc/97/61/50/942976150.db2.gz TXNNLYLYFARSDE-BMIGLBTASA-N 0 1 354.219 3.678 20 10 FHCDMN C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000273525954 942977843 /nfs/dbraw/zinc/97/78/43/942977843.db2.gz VEQUKUIINIHAPH-XERREHJYSA-N 0 1 351.446 3.681 20 10 FHCDMN C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc(Cl)ccc1[O-] ZINC000273574619 942989138 /nfs/dbraw/zinc/98/91/38/942989138.db2.gz LKVSTAPGMLVVNV-CYBMUJFWSA-N 0 1 362.857 3.849 20 10 FHCDMN COCC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000272514624 943169364 /nfs/dbraw/zinc/16/93/64/943169364.db2.gz GXVMFPWURAOPTR-CRAIPNDOSA-N 0 1 362.445 3.684 20 10 FHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(C)CCC2)C1 ZINC000435818205 943773567 /nfs/dbraw/zinc/77/35/67/943773567.db2.gz OBIANTASNSMGRJ-UHFFFAOYSA-N 0 1 353.510 3.714 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(C)CCC2)C1 ZINC000435818205 943773575 /nfs/dbraw/zinc/77/35/75/943773575.db2.gz OBIANTASNSMGRJ-UHFFFAOYSA-N 0 1 353.510 3.714 20 10 FHCDMN CN1c2cc(NCc3ccc(F)c(F)c3O)ccc2OCC(C)(C)C1=O ZINC000897323725 946895095 /nfs/dbraw/zinc/89/50/95/946895095.db2.gz NKPZCKJSLPBBCP-UHFFFAOYSA-N 0 1 362.376 3.664 20 10 FHCDMN CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc(Br)ccc1[O-] ZINC000185210617 567821940 /nfs/dbraw/zinc/82/19/40/567821940.db2.gz VMSUSUYPIIKWMG-MRXNPFEDSA-N 0 1 350.256 3.888 20 10 FHCDMN C[N@H+](Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)Cc1ccccc1O ZINC000737497298 600142827 /nfs/dbraw/zinc/14/28/27/600142827.db2.gz YNWQLHJECJPAMW-UHFFFAOYSA-N 0 1 354.431 3.846 20 10 FHCDMN C[N@@H+](Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)Cc1ccccc1O ZINC000737497298 600142830 /nfs/dbraw/zinc/14/28/30/600142830.db2.gz YNWQLHJECJPAMW-UHFFFAOYSA-N 0 1 354.431 3.846 20 10 FHCDMN O=C([O-])c1cccc(OCC[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000740226872 600148980 /nfs/dbraw/zinc/14/89/80/600148980.db2.gz CXNCYBIXWQFGNZ-UHFFFAOYSA-N 0 1 355.434 3.914 20 10 FHCDMN COc1cccc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)c1 ZINC000738096241 600392877 /nfs/dbraw/zinc/39/28/77/600392877.db2.gz CLAWTIDIXXARCW-UHFFFAOYSA-N 0 1 351.402 3.884 20 10 FHCDMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Br)ccc1O ZINC000829718415 600856758 /nfs/dbraw/zinc/85/67/58/600856758.db2.gz KMRGQBGKLRPBQI-UHFFFAOYSA-N 0 1 364.239 3.875 20 10 FHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1O ZINC000825946536 601657374 /nfs/dbraw/zinc/65/73/74/601657374.db2.gz DBRROWLYEMINQN-GTNSWQLSSA-N 0 1 361.825 3.800 20 10 FHCDMN C[C@@H](Oc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537912 604532071 /nfs/dbraw/zinc/53/20/71/604532071.db2.gz QHFLZIXKQDIVGE-MRXNPFEDSA-N 0 1 368.477 3.769 20 10 FHCDMN CCN(CC)c1ccc(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000825417592 609328033 /nfs/dbraw/zinc/32/80/33/609328033.db2.gz RVLBXAVPQAOEMD-CQSZACIVSA-N 0 1 368.460 3.703 20 10 FHCDMN C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000799727967 927805441 /nfs/dbraw/zinc/80/54/41/927805441.db2.gz CRMDQCMCDJYHKX-CJNGLKHVSA-N 0 1 364.283 3.799 20 10 FHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796675332 929991845 /nfs/dbraw/zinc/99/18/45/929991845.db2.gz MIKYDIPDQUIJRN-HNNXBMFYSA-N 0 1 370.497 3.767 20 10 FHCDMN CN1CCN(c2ccc(CNc3cnc(-c4ccccc4)nc3)cc2)CC1 ZINC001167434099 931136371 /nfs/dbraw/zinc/13/63/71/931136371.db2.gz BLNBFDVVPLISDD-UHFFFAOYSA-N 0 1 359.477 3.508 20 10 FHCDMN CN1CCN(c2ccc(CNc3ccc4c5c(ccnc35)CCO4)cc2)CC1 ZINC001167436864 931266021 /nfs/dbraw/zinc/26/60/21/931266021.db2.gz DCTSYXHNILYCTL-UHFFFAOYSA-N 0 1 374.488 3.534 20 10 FHCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)OC(C)(C)O4)cc2)CC1 ZINC001167437660 931300390 /nfs/dbraw/zinc/30/03/90/931300390.db2.gz XXSBXDKUWDOOOF-UHFFFAOYSA-N 0 1 353.466 3.558 20 10 FHCDMN CCCN(Cc1ccccc1O)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000157063394 931815789 /nfs/dbraw/zinc/81/57/89/931815789.db2.gz COKSQUQIFGSTQI-FQEVSTJZSA-N 0 1 356.441 3.763 20 10 FHCDMN Oc1ccccc1CN(Cc1ccco1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891395278 932052335 /nfs/dbraw/zinc/05/23/35/932052335.db2.gz XEAFIMXCMSLCRX-ZWKOTPCHSA-N 0 1 361.413 3.621 20 10 FHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(C)c1 ZINC000127803389 935811410 /nfs/dbraw/zinc/81/14/10/935811410.db2.gz TZJNCJHUMVQJLE-UHFFFAOYSA-N 0 1 350.421 3.521 20 10 FHCDMN Cc1nc(F)ccc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000278294604 938289917 /nfs/dbraw/zinc/28/99/17/938289917.db2.gz BZIFEQFTHRIGFQ-KBPBESRZSA-N 0 1 361.436 3.572 20 10 FHCDMN CSCC[C@H](NCc1ccc(N(C)C)c(C)c1)c1nnc2ccccn21 ZINC000294761772 945164537 /nfs/dbraw/zinc/16/45/37/945164537.db2.gz YKJJZJOVWOBPAH-KRWDZBQOSA-N 0 1 369.538 3.688 20 10 FHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccco1 ZINC000163409671 938371580 /nfs/dbraw/zinc/37/15/80/938371580.db2.gz XEXOKNKNHNKSSO-ZDUSSCGKSA-N 0 1 354.372 3.986 20 10 FHCDMN COc1cc(O)c(CN2CCC(C(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000158875128 938591086 /nfs/dbraw/zinc/59/10/86/938591086.db2.gz FDASWPKOYWKLBG-UHFFFAOYSA-N 0 1 369.461 3.813 20 10 FHCDMN O=C(c1ccc(F)cc1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000026641586 945316576 /nfs/dbraw/zinc/31/65/76/945316576.db2.gz VIQJGXQUWZBQCF-UHFFFAOYSA-N 0 1 364.420 3.643 20 10 FHCDMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000177968638 940494129 /nfs/dbraw/zinc/49/41/29/940494129.db2.gz AEDKUUQJRHQHDN-AWEZNQCLSA-N 0 1 366.914 3.531 20 10 FHCDMN CCc1onc(C)c1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892620758 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CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000175837379 931093751 /nfs/dbraw/zinc/09/37/51/931093751.db2.gz OBAMPAAAYHASMR-WBVHZDCISA-N 0 1 363.454 3.884 20 10 FHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000175837379 931093763 /nfs/dbraw/zinc/09/37/63/931093763.db2.gz OBAMPAAAYHASMR-WBVHZDCISA-N 0 1 363.454 3.884 20 10 FHCDMN CCOc1ccc(O)c(CN(C)Cc2cc(Br)cn2C)c1 ZINC000091961698 934833991 /nfs/dbraw/zinc/83/39/91/934833991.db2.gz QOVUNIWFYMOSMV-UHFFFAOYSA-N 0 1 353.260 3.524 20 10 FHCDMN CCC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1 ZINC000158773690 938250034 /nfs/dbraw/zinc/25/00/34/938250034.db2.gz OSEQZUQYTLIVRZ-LJQANCHMSA-N 0 1 357.473 3.813 20 10 FHCDMN CCC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1 ZINC000158773538 938252026 /nfs/dbraw/zinc/25/20/26/938252026.db2.gz OSEQZUQYTLIVRZ-IBGZPJMESA-N 0 1 357.473 3.813 20 10 FHCDMN Oc1c(Br)cccc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179428459 939161838 /nfs/dbraw/zinc/16/18/38/939161838.db2.gz 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/nfs/dbraw/zinc/77/29/27/941772927.db2.gz AUXJZDPVINZIEH-UHFFFAOYSA-N 0 1 374.242 3.535 20 10 FHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCN(CCc2ccncc2)CC1 ZINC000377863165 942040360 /nfs/dbraw/zinc/04/03/60/942040360.db2.gz CVBXOLOJEMQZLD-UHFFFAOYSA-N 0 1 359.901 3.580 20 10 FHCDMN COc1cccc(CN[C@H](c2nc(-c3ccccc3)no2)C(C)C)c1O ZINC000364043532 943396405 /nfs/dbraw/zinc/39/64/05/943396405.db2.gz UWQVLAVPLJMGTM-KRWDZBQOSA-N 0 1 353.422 3.938 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2C)C1 ZINC000435638931 943522452 /nfs/dbraw/zinc/52/24/52/943522452.db2.gz SASXGEGNBZJDCC-KRWDZBQOSA-N 0 1 353.510 3.809 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@H]2C)C1 ZINC000435805323 943781838 /nfs/dbraw/zinc/78/18/38/943781838.db2.gz AHVUQEPKNODIAU-IAGOWNOFSA-N 0 1 353.510 3.665 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)[C@H]2C)C1 ZINC000435805318 943781955 /nfs/dbraw/zinc/78/19/55/943781955.db2.gz AHVUQEPKNODIAU-DLBZAZTESA-N 0 1 353.510 3.665 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC000435810158 943784522 /nfs/dbraw/zinc/78/45/22/943784522.db2.gz PBCYVXPCBRMOGA-KDURUIRLSA-N 0 1 365.521 3.522 20 10 FHCDMN CCN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C1CCC1 ZINC000435854467 943810796 /nfs/dbraw/zinc/81/07/96/943810796.db2.gz GYLFULMQQGCXEC-UHFFFAOYSA-N 0 1 353.510 3.809 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](C)C2)C1 ZINC000436447221 944323039 /nfs/dbraw/zinc/32/30/39/944323039.db2.gz AQZFJYPCNQDKRD-KRWDZBQOSA-N 0 1 353.510 3.666 20 10 FHCDMN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000756602242 944593166 /nfs/dbraw/zinc/59/31/66/944593166.db2.gz DKIUEBBENNHYOX-BLLLJJGKSA-N 0 1 350.256 3.929 20 10 FHCDMN COc1ccc(N2CCN(C[C@@H]3CC[C@H](c4ccccc4)O3)CC2)cc1F ZINC001168066539 945937919 /nfs/dbraw/zinc/93/79/19/945937919.db2.gz AESBKHXPQDNHKF-PZJWPPBQSA-N 0 1 370.468 3.877 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]3CCC[C@@H]32)C1 ZINC000444279599 946164991 /nfs/dbraw/zinc/16/49/91/946164991.db2.gz GIUGJOKQASRJPS-XLIONFOSSA-N 0 1 365.521 3.809 20 10 FHCDMN C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1cc(Br)ccc1[O-] ZINC000756758390 946518026 /nfs/dbraw/zinc/51/80/26/946518026.db2.gz DQEKEFRCHWZLGU-SNVBAGLBSA-N 0 1 371.662 3.933 20 10 FHCDMN COc1cc(OC)c(OC)cc1CNCc1c(C)c2ccccc2n1C ZINC000475190849 946666798 /nfs/dbraw/zinc/66/67/98/946666798.db2.gz LVYGNLSDJNLHDX-UHFFFAOYSA-N 0 1 354.450 3.802 20 10 FHCDMN O=C(NC1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1)C1CC1 ZINC000726962295 946754594 /nfs/dbraw/zinc/75/45/94/946754594.db2.gz VBJAUAXDQWDLCR-UHFFFAOYSA-N 0 1 364.445 3.782 20 10 FHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826510873 948432319 /nfs/dbraw/zinc/43/23/19/948432319.db2.gz OZRRIRQIZQKRHV-UHFFFAOYSA-N 0 1 373.819 3.529 20 10 FHCDMN CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000038013758 211350000 /nfs/dbraw/zinc/35/00/00/211350000.db2.gz VUQXDBBVGYDRHG-FZMZJTMJSA-N 0 1 357.292 3.500 20 10 FHCDMN CCc1cc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000737250635 600704473 /nfs/dbraw/zinc/70/44/73/600704473.db2.gz JUKGKXWTHRDONU-HNNXBMFYSA-N 0 1 351.512 3.644 20 10 FHCDMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000739656953 600706731 /nfs/dbraw/zinc/70/67/31/600706731.db2.gz ACHWHXOGPPOFHD-ZDUSSCGKSA-N 0 1 357.431 3.684 20 10 FHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCOC[C@H]2c2ccccc2)c1O ZINC000833307330 600718542 /nfs/dbraw/zinc/71/85/42/600718542.db2.gz IHVSYWLWUZZSGT-FQEVSTJZSA-N 0 1 363.413 3.817 20 10 FHCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833694930 605830986 /nfs/dbraw/zinc/83/09/86/605830986.db2.gz FOKNTRZGGKFJOG-UHFFFAOYSA-N 0 1 374.868 3.507 20 10 FHCDMN CN(C)C(=O)Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000122068112 937142260 /nfs/dbraw/zinc/14/22/60/937142260.db2.gz BPAHEEJZRGQLCP-UHFFFAOYSA-N 0 1 353.249 3.942 20 10 FHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124166464 937214646 /nfs/dbraw/zinc/21/46/46/937214646.db2.gz GNNAUAHTLAITRW-CQSZACIVSA-N 0 1 360.889 3.743 20 10 FHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124166464 937214650 /nfs/dbraw/zinc/21/46/50/937214650.db2.gz GNNAUAHTLAITRW-CQSZACIVSA-N 0 1 360.889 3.743 20 10 FHCDMN CN1CCN(c2ccc(CNc3cc(Cl)nc4[nH]ccc43)cc2)CC1 ZINC001167423086 930920215 /nfs/dbraw/zinc/92/02/15/930920215.db2.gz MHZWOQNLTRGFJJ-UHFFFAOYSA-N 0 1 355.873 3.580 20 10 FHCDMN CCCOc1ncc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001167436988 931280566 /nfs/dbraw/zinc/28/05/66/931280566.db2.gz JYWNFTFTOBSQGL-UHFFFAOYSA-N 0 1 354.498 3.543 20 10 FHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000091958140 931295245 /nfs/dbraw/zinc/29/52/45/931295245.db2.gz SOXKJNPGRKCTFM-UKRRQHHQSA-N 0 1 366.801 3.635 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(F)F)C1 ZINC000684341897 932331289 /nfs/dbraw/zinc/33/12/89/932331289.db2.gz NJDNNLMXKHPNBR-UHFFFAOYSA-N 0 1 363.452 3.568 20 10 FHCDMN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1CCOC1 ZINC000176103567 933584265 /nfs/dbraw/zinc/58/42/65/933584265.db2.gz DEFVKJWGYPUPPV-LBPRGKRZSA-N 0 1 350.256 3.776 20 10 FHCDMN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1CCOC1 ZINC000176103567 933584267 /nfs/dbraw/zinc/58/42/67/933584267.db2.gz DEFVKJWGYPUPPV-LBPRGKRZSA-N 0 1 350.256 3.776 20 10 FHCDMN C[C@H](c1ccccc1)N(CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000176680027 935799404 /nfs/dbraw/zinc/79/94/04/935799404.db2.gz CRUOHCHBPWGBEV-CQSZACIVSA-N 0 1 366.383 3.634 20 10 FHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccco1 ZINC000163409855 938372007 /nfs/dbraw/zinc/37/20/07/938372007.db2.gz XEXOKNKNHNKSSO-CYBMUJFWSA-N 0 1 354.372 3.986 20 10 FHCDMN COc1cc(Br)cc(CN(C)Cc2cnc(C)s2)c1O ZINC000179381151 939138939 /nfs/dbraw/zinc/13/89/39/939138939.db2.gz HRSDAOWLWAFBFC-UHFFFAOYSA-N 0 1 357.273 3.560 20 10 FHCDMN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793683 940025303 /nfs/dbraw/zinc/02/53/03/940025303.db2.gz 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C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000273445452 942958172 /nfs/dbraw/zinc/95/81/72/942958172.db2.gz DZRJYZZNSYVVIW-MEBBXXQBSA-N 0 1 354.219 3.678 20 10 FHCDMN C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000273445447 942958448 /nfs/dbraw/zinc/95/84/48/942958448.db2.gz DZRJYZZNSYVVIW-BONVTDFDSA-N 0 1 354.219 3.678 20 10 FHCDMN C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000273525951 942977734 /nfs/dbraw/zinc/97/77/34/942977734.db2.gz VEQUKUIINIHAPH-KLHJMIIUSA-N 0 1 351.446 3.681 20 10 FHCDMN COc1cc(Cl)cc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000273760113 943031841 /nfs/dbraw/zinc/03/18/41/943031841.db2.gz OUIWHSQXPVXFFB-GFCCVEGCSA-N 0 1 363.845 3.694 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccco2)C1 ZINC000435651541 943538463 /nfs/dbraw/zinc/53/84/63/943538463.db2.gz UXLSSXSIWJSLDQ-UHFFFAOYSA-N 0 1 365.477 3.659 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000435829989 943799819 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CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000925775858 948046879 /nfs/dbraw/zinc/04/68/79/948046879.db2.gz HVDXVMUICFPXRM-JOYOIKCWSA-N 0 1 353.240 3.985 20 10 FHCDMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000821611223 607387262 /nfs/dbraw/zinc/38/72/62/607387262.db2.gz WMIZVBZQTSPXNQ-UHFFFAOYSA-N 0 1 368.510 3.551 20 10 FHCDMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000821611223 607387264 /nfs/dbraw/zinc/38/72/64/607387264.db2.gz WMIZVBZQTSPXNQ-UHFFFAOYSA-N 0 1 368.510 3.551 20 10 FHCDMN Cc1cc(O)c(C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1C ZINC000833746572 604676007 /nfs/dbraw/zinc/67/60/07/604676007.db2.gz COTLLWSJYOCGHJ-KRWDZBQOSA-N 0 1 353.340 3.684 20 10 FHCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829497077 604770089 /nfs/dbraw/zinc/77/00/89/604770089.db2.gz WDGSPKAEEPEBBM-AWEZNQCLSA-N 0 1 358.438 3.519 20 10 FHCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829497083 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3.558 20 10 FHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cn1 ZINC000274865455 928896432 /nfs/dbraw/zinc/89/64/32/928896432.db2.gz DPSLTXYGKIRGJX-CYBMUJFWSA-N 0 1 363.864 3.686 20 10 FHCDMN CCCN(Cc1ccccc1O)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000175947789 930701224 /nfs/dbraw/zinc/70/12/24/930701224.db2.gz KOPGMJOBQJYALM-UHFFFAOYSA-N 0 1 373.472 3.585 20 10 FHCDMN Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)cc(-c2ccccc2)n1 ZINC001167422895 930918500 /nfs/dbraw/zinc/91/85/00/930918500.db2.gz GFYVIIRVOUJXHR-UHFFFAOYSA-N 0 1 373.504 3.816 20 10 FHCDMN CN1CCN(c2ccc(CNc3cccc(-c4ccccn4)n3)cc2)CC1 ZINC001167426258 930948908 /nfs/dbraw/zinc/94/89/08/930948908.db2.gz DSHAEXZSVVMLHM-UHFFFAOYSA-N 0 1 359.477 3.508 20 10 FHCDMN CN1CCN(c2ccc(CNc3cncc(-c4ccccc4)n3)cc2)CC1 ZINC001167426186 930949120 /nfs/dbraw/zinc/94/91/20/930949120.db2.gz AKVBVKUCQBDXNA-UHFFFAOYSA-N 0 1 359.477 3.508 20 10 FHCDMN Cc1nccc(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)n1 ZINC001167434682 931152716 /nfs/dbraw/zinc/15/27/16/931152716.db2.gz RTIVYHPBHUJXOD-UHFFFAOYSA-N 0 1 373.504 3.816 20 10 FHCDMN Oc1ccccc1CN(Cc1ccco1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891395276 932052289 /nfs/dbraw/zinc/05/22/89/932052289.db2.gz XEAFIMXCMSLCRX-QZTJIDSGSA-N 0 1 361.413 3.621 20 10 FHCDMN C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000277085290 934486237 /nfs/dbraw/zinc/48/62/37/934486237.db2.gz KBNOHXCQCNRASM-JTQLQIEISA-N 0 1 374.289 3.953 20 10 FHCDMN C[C@@H](c1ccccc1)N(CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000176675831 935768161 /nfs/dbraw/zinc/76/81/61/935768161.db2.gz SBKUBWWOOSZVIO-SFHVURJKSA-N 0 1 352.478 3.968 20 10 FHCDMN O=C(NCCN1CCCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588545224 936020063 /nfs/dbraw/zinc/02/00/63/936020063.db2.gz VAHDFPFAEQSLMW-UHFFFAOYSA-N 0 1 367.453 3.946 20 10 FHCDMN C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000310054252 939114513 /nfs/dbraw/zinc/11/45/13/939114513.db2.gz WJFGQKSRAYIWRG-IUODEOHRSA-N 0 1 354.878 3.923 20 10 FHCDMN Cc1nc(CN2CCC[C@H]([NH2+][C@@H](C)c3ccc4ccccc4c3[O-])C2)no1 ZINC000376304419 940736603 /nfs/dbraw/zinc/73/66/03/940736603.db2.gz FJBNRQUTQNTVJK-YOEHRIQHSA-N 0 1 366.465 3.552 20 10 FHCDMN COc1ccc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1F ZINC000180550452 941046609 /nfs/dbraw/zinc/04/66/09/941046609.db2.gz AUMIRTJSUDFFRM-UHFFFAOYSA-N 0 1 366.440 3.547 20 10 FHCDMN Cc1cc([C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)no1 ZINC000377093883 941514218 /nfs/dbraw/zinc/51/42/18/941514218.db2.gz TYAUUBPCQYKYQB-CYBMUJFWSA-N 0 1 351.397 3.904 20 10 FHCDMN CC[C@@H](c1ccccc1[O-])[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000377902572 942061472 /nfs/dbraw/zinc/06/14/72/942061472.db2.gz FRNXYUPBAFSZAR-NRFANRHFSA-N 0 1 353.510 3.877 20 10 FHCDMN CC[C@@H](c1ccccc1[O-])[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000377902572 942061473 /nfs/dbraw/zinc/06/14/73/942061473.db2.gz FRNXYUPBAFSZAR-NRFANRHFSA-N 0 1 353.510 3.877 20 10 FHCDMN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(Cl)ccc1[O-] ZINC000760015706 942119089 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FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@H](C)C2)C1 ZINC000436016623 943955830 /nfs/dbraw/zinc/95/58/30/943955830.db2.gz SFPGOONDCBUWKR-IRXDYDNUSA-N 0 1 353.510 3.713 20 10 FHCDMN COC(=O)c1nc([C@H]2CCCN2Cc2cc(F)cc(F)c2O)sc1C ZINC000894601655 944296842 /nfs/dbraw/zinc/29/68/42/944296842.db2.gz FEIKTTBVVUDIKH-CYBMUJFWSA-N 0 1 368.405 3.559 20 10 FHCDMN Cc1ccc(C(=O)NC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)s1 ZINC000123314084 944341897 /nfs/dbraw/zinc/34/18/97/944341897.db2.gz MCDKJPKEFMNVBX-UHFFFAOYSA-N 0 1 364.898 3.810 20 10 FHCDMN CCN(CC)c1ccc(CNCc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000292805462 944577664 /nfs/dbraw/zinc/57/76/64/944577664.db2.gz OAUJIDIAIPXLOR-UHFFFAOYSA-N 0 1 353.514 3.521 20 10 FHCDMN COc1cc(N2CCN(Cc3ccc(CF)cc3)CC2)cc(OC)c1OC ZINC000759885838 944730620 /nfs/dbraw/zinc/73/06/20/944730620.db2.gz IBSDGJQMXNHUDW-UHFFFAOYSA-N 0 1 374.456 3.504 20 10 FHCDMN C[C@]1(CO)CCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000759895346 944778206 /nfs/dbraw/zinc/77/82/06/944778206.db2.gz RLIUFGXKNXKRCF-HXUWFJFHSA-N 0 1 352.438 3.887 20 10 FHCDMN Cc1cncc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000519593075 945017605 /nfs/dbraw/zinc/01/76/05/945017605.db2.gz HTBNBRUFTMPZFX-UHFFFAOYSA-N 0 1 362.477 3.750 20 10 FHCDMN Cc1cncc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1 ZINC000519593075 945017613 /nfs/dbraw/zinc/01/76/13/945017613.db2.gz HTBNBRUFTMPZFX-UHFFFAOYSA-N 0 1 362.477 3.750 20 10 FHCDMN Cc1nn(C(C)C)cc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000281449908 945636992 /nfs/dbraw/zinc/63/69/92/945636992.db2.gz STAPJPXQCVEFDO-HZPDHXFCSA-N 0 1 374.504 3.815 20 10 FHCDMN CN(C)c1ccc(CN(C)Cn2ncc3c2cccc3Br)cc1 ZINC000303441267 946583560 /nfs/dbraw/zinc/58/35/60/946583560.db2.gz HUDCFXKYRSTRKG-UHFFFAOYSA-N 0 1 373.298 3.954 20 10 FHCDMN COc1cc(Cl)cc(CN2CC(c3nc(-c4ccccc4)no3)C2)c1O ZINC000897320476 946822174 /nfs/dbraw/zinc/82/21/74/946822174.db2.gz YXCZGQVFLWAPHK-UHFFFAOYSA-N 0 1 371.824 3.704 20 10 FHCDMN CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000925775567 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O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCCN(C3CCCC3)CC2)c1O ZINC000740095547 600428163 /nfs/dbraw/zinc/42/81/63/600428163.db2.gz BGGLQZQNAVBEOP-UHFFFAOYSA-N 0 1 368.477 3.694 20 10 FHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCCN(C3CCCC3)CC2)c1O ZINC000740095547 600428165 /nfs/dbraw/zinc/42/81/65/600428165.db2.gz BGGLQZQNAVBEOP-UHFFFAOYSA-N 0 1 368.477 3.694 20 10 FHCDMN CCOc1ccc(O)c(C[N@@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000833662589 604549980 /nfs/dbraw/zinc/54/99/80/604549980.db2.gz GVVVWIGMZMTAJP-UHFFFAOYSA-N 0 1 366.417 3.529 20 10 FHCDMN CCOc1ccc(O)c(C[N@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000833662589 604549982 /nfs/dbraw/zinc/54/99/82/604549982.db2.gz GVVVWIGMZMTAJP-UHFFFAOYSA-N 0 1 366.417 3.529 20 10 FHCDMN Oc1ccccc1CN(Cc1cc(F)c(F)c(F)c1)C[C@H]1CCCO1 ZINC000160189528 927163129 /nfs/dbraw/zinc/16/31/29/927163129.db2.gz TXNUKLLDZMKEPX-OAHLLOKOSA-N 0 1 351.368 3.991 20 10 FHCDMN Cc1cccn2c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cnc12 ZINC000160191631 927214878 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CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(C)ccc1O ZINC000160746768 931526953 /nfs/dbraw/zinc/52/69/53/931526953.db2.gz QGUANMXAGOZQCN-UHFFFAOYSA-N 0 1 366.383 3.969 20 10 FHCDMN CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706861434 931797200 /nfs/dbraw/zinc/79/72/00/931797200.db2.gz VHJLVUMTQCLPBJ-UHFFFAOYSA-N 0 1 373.291 3.548 20 10 FHCDMN Cc1cc(Cl)ccc1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O ZINC000588476216 934511866 /nfs/dbraw/zinc/51/18/66/934511866.db2.gz ICOGNDLLRDHUBF-XNTDXEJSSA-N 0 1 366.939 3.944 20 10 FHCDMN Cc1nc2ccccc2nc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176798585 938437310 /nfs/dbraw/zinc/43/73/10/938437310.db2.gz QCUMBUIHUGIFMI-GOSISDBHSA-N 0 1 363.461 3.825 20 10 FHCDMN Oc1ccc(Cl)c(F)c1CNCc1noc(-c2ccccc2F)n1 ZINC000375742227 938449635 /nfs/dbraw/zinc/44/96/35/938449635.db2.gz LTBATUAYOHDNBF-UHFFFAOYSA-N 0 1 351.740 3.664 20 10 FHCDMN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000310049954 939121368 /nfs/dbraw/zinc/12/13/68/939121368.db2.gz 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/nfs/dbraw/zinc/90/81/97/942908197.db2.gz YAHJRJXPLZGUAA-GFCCVEGCSA-N 0 1 373.254 3.586 20 10 FHCDMN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Br)cc1[O-] ZINC000273388051 942946162 /nfs/dbraw/zinc/94/61/62/942946162.db2.gz KBWXXCYPTQQSOM-YGRLFVJLSA-N 0 1 350.260 3.616 20 10 FHCDMN Cc1ccc(O)c([C@@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273431051 942955196 /nfs/dbraw/zinc/95/51/96/942955196.db2.gz VQDFDORYZNBYKY-LLVKDONJSA-N 0 1 350.344 3.613 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC=CCC2)C1 ZINC000435533810 943471343 /nfs/dbraw/zinc/47/13/43/943471343.db2.gz XIONHGNENDMVGP-SFHVURJKSA-N 0 1 365.521 3.880 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@@H](C)C2)C1 ZINC000435808247 943783046 /nfs/dbraw/zinc/78/30/46/943783046.db2.gz JEUHCSOAXHNYSL-IRXDYDNUSA-N 0 1 353.510 3.522 20 10 FHCDMN CCN(CC1CC1)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435870561 943825674 /nfs/dbraw/zinc/82/56/74/943825674.db2.gz GGVBLKMQBSIZDN-UHFFFAOYSA-N 0 1 353.510 3.666 20 10 FHCDMN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c2ncccc21 ZINC000192155499 944292456 /nfs/dbraw/zinc/29/24/56/944292456.db2.gz CEFKXLQMGHKHMB-UHFFFAOYSA-N 0 1 364.423 3.602 20 10 FHCDMN COc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])c(F)c1OC ZINC000894755902 944557977 /nfs/dbraw/zinc/55/79/77/944557977.db2.gz XRROQZXVYHIVKF-UHFFFAOYSA-N 0 1 370.218 3.601 20 10 FHCDMN CCN1CCN(c2ccc(CNc3sccc3[N+](=O)[O-])cc2F)CC1 ZINC000302016859 946079920 /nfs/dbraw/zinc/07/99/20/946079920.db2.gz MAFVTTNBCQNGSN-UHFFFAOYSA-N 0 1 364.446 3.549 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3CCC[C@@H]32)C1 ZINC000444279598 946165284 /nfs/dbraw/zinc/16/52/84/946165284.db2.gz GIUGJOKQASRJPS-PXNSSMCTSA-N 0 1 365.521 3.809 20 10 FHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H](C)CC(C)C)cc2F)CC1 ZINC000303332803 946553872 /nfs/dbraw/zinc/55/38/72/946553872.db2.gz UPMWZPONMZCHEJ-QGZVFWFLSA-N 0 1 363.521 3.656 20 10 FHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000894982730 946759035 /nfs/dbraw/zinc/75/90/35/946759035.db2.gz IBOPRNLKWDQPGR-CQSZACIVSA-N 0 1 365.342 3.851 20 10 FHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435149 947188721 /nfs/dbraw/zinc/18/87/21/947188721.db2.gz NKAWKNGKIHXUHD-LBPRGKRZSA-N 0 1 357.845 3.809 20 10 FHCDMN CCN1CCN(c2ccc(CNc3cccc(F)c3C(C)=O)cc2F)CC1 ZINC000301179190 947219255 /nfs/dbraw/zinc/21/92/55/947219255.db2.gz HDAWEVJJVWELKK-UHFFFAOYSA-N 0 1 373.447 3.921 20 10 FHCDMN CCN(CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1Cl ZINC000236825754 948309601 /nfs/dbraw/zinc/30/96/01/948309601.db2.gz XJMHUEVGLBJJBL-IBGZPJMESA-N 0 1 359.901 3.664 20 10 FHCDMN O=C([O-])C[N@@H+](Cc1cccc(OC(F)F)c1)Cc1cc(Cl)ccc1O ZINC000739796524 600315591 /nfs/dbraw/zinc/31/55/91/600315591.db2.gz PNXNCUKUSSGBIT-UHFFFAOYSA-N 0 1 371.767 3.734 20 10 FHCDMN CCc1cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000830218679 600719373 /nfs/dbraw/zinc/71/93/73/600719373.db2.gz IMOJBHOEPMEEST-UHFFFAOYSA-N 0 1 363.498 3.708 20 10 FHCDMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21)C(=O)[O-] ZINC000736582503 601089159 /nfs/dbraw/zinc/08/91/59/601089159.db2.gz IQESUFZOVNQXDT-OAHLLOKOSA-N 0 1 350.418 3.663 20 10 FHCDMN CC(C)(C)c1cnc(Sc2c3ccccc3nnc2-c2nn[nH]n2)s1 ZINC000819965295 607118258 /nfs/dbraw/zinc/11/82/58/607118258.db2.gz AHLTVXREXJORRZ-UHFFFAOYSA-N 0 1 369.479 3.715 20 10 FHCDMN CC(C)C[N@@H+](CCN(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708210214 937163122 /nfs/dbraw/zinc/16/31/22/937163122.db2.gz BFWOXUKKLLFBHL-UHFFFAOYSA-N 0 1 363.727 3.828 20 10 FHCDMN CC[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1O ZINC000274963017 929079975 /nfs/dbraw/zinc/07/99/75/929079975.db2.gz WZZIZSFSCQNZQG-CYBMUJFWSA-N 0 1 350.344 3.695 20 10 FHCDMN CN1CCN(c2ccc(CNc3nccc(-c4ccccc4)n3)cc2)CC1 ZINC001167422918 930918554 /nfs/dbraw/zinc/91/85/54/930918554.db2.gz GXSKRZIDQAKIQP-UHFFFAOYSA-N 0 1 359.477 3.508 20 10 FHCDMN CN1CCN(c2ccc(CNc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC001167431059 931030971 /nfs/dbraw/zinc/03/09/71/931030971.db2.gz DYVDSHRHUFPZPO-UHFFFAOYSA-N 0 1 360.845 3.612 20 10 FHCDMN CN1CCN(c2ccc(CNc3cc(Cl)nc(C(C)(C)C)n3)cc2)CC1 ZINC001167431330 931045803 /nfs/dbraw/zinc/04/58/03/931045803.db2.gz TXCCBUGXGDCYOY-UHFFFAOYSA-N 0 1 373.932 3.791 20 10 FHCDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247394 931764589 /nfs/dbraw/zinc/76/45/89/931764589.db2.gz PTRCWLVXZLYCKJ-IERDGZPVSA-N 0 1 354.494 3.902 20 10 FHCDMN COC(C)(C)c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000581396060 931949743 /nfs/dbraw/zinc/94/97/43/931949743.db2.gz KELRAWUVFQETRW-UHFFFAOYSA-N 0 1 368.481 3.721 20 10 FHCDMN COC(=O)c1ccc(C[N@@H+](C)Cc2cccc(Br)c2[O-])cc1 ZINC000091829750 935004962 /nfs/dbraw/zinc/00/49/62/935004962.db2.gz ZEFZKIVZZKIIQU-UHFFFAOYSA-N 0 1 364.239 3.573 20 10 FHCDMN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000472229734 935812454 /nfs/dbraw/zinc/81/24/54/935812454.db2.gz AAVUDEVDDSMKHS-UHFFFAOYSA-N 0 1 367.497 3.849 20 10 FHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000124326983 945233245 /nfs/dbraw/zinc/23/32/45/945233245.db2.gz GRWKDUAMWHOGJI-UHFFFAOYSA-N 0 1 370.840 3.870 20 10 FHCDMN COc1cc(Br)cc(CN2CCC[C@@H]2c2cccn2C)c1O ZINC000179704840 939924838 /nfs/dbraw/zinc/92/48/38/939924838.db2.gz LCPNTNVUXCSLEJ-OAHLLOKOSA-N 0 1 365.271 3.839 20 10 FHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000725851360 940738599 /nfs/dbraw/zinc/73/85/99/940738599.db2.gz KZJILDYJLJWTKY-CQSZACIVSA-N 0 1 373.884 3.763 20 10 FHCDMN CCCCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000728697384 941665983 /nfs/dbraw/zinc/66/59/83/941665983.db2.gz FJOJBBLDZODNNK-XDJHFCHBSA-N 0 1 350.418 3.717 20 10 FHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nccn1-c1ccccc1 ZINC000377407318 941701269 /nfs/dbraw/zinc/70/12/69/941701269.db2.gz KUBXJWJTAMRDNE-SFHVURJKSA-N 0 1 362.477 3.560 20 10 FHCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625393 941850318 /nfs/dbraw/zinc/85/03/18/941850318.db2.gz MGQKAASAJNZKPV-SJLPKXTDSA-N 0 1 358.486 3.521 20 10 FHCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625393 941850321 /nfs/dbraw/zinc/85/03/21/941850321.db2.gz MGQKAASAJNZKPV-SJLPKXTDSA-N 0 1 358.486 3.521 20 10 FHCDMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273619853 942998527 /nfs/dbraw/zinc/99/85/27/942998527.db2.gz YRBBCAIMWZPERG-SGTLLEGYSA-N 0 1 371.868 3.535 20 10 FHCDMN COc1c([O-])c(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[N+](=O)[O-] ZINC000278826913 943008966 /nfs/dbraw/zinc/00/89/66/943008966.db2.gz IEQCNHNFXQZMPU-INIZCTEOSA-N 0 1 370.409 3.672 20 10 FHCDMN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000271740763 943042705 /nfs/dbraw/zinc/04/27/05/943042705.db2.gz CFRMRWWFKZKGKV-GJZGRUSLSA-N 0 1 373.428 3.982 20 10 FHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000271745658 943044071 /nfs/dbraw/zinc/04/40/71/943044071.db2.gz SVFQIBOAOLOJQK-UHFFFAOYSA-N 0 1 358.869 3.782 20 10 FHCDMN COc1cc(Cl)cc(CN[C@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000363915895 943048571 /nfs/dbraw/zinc/04/85/71/943048571.db2.gz BMHCHOWSVKKVPI-SFHVURJKSA-N 0 1 357.841 3.667 20 10 FHCDMN C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(F)ccc1[O-] ZINC000185137203 943106575 /nfs/dbraw/zinc/10/65/75/943106575.db2.gz DPRDINRTSWABLE-AWEZNQCLSA-N 0 1 373.424 3.659 20 10 FHCDMN COc1cccc(CN[C@@H](c2nc(-c3ccccc3)no2)C(C)C)c1O ZINC000364043534 943396647 /nfs/dbraw/zinc/39/66/47/943396647.db2.gz UWQVLAVPLJMGTM-QGZVFWFLSA-N 0 1 353.422 3.938 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C2CCCC2)C1 ZINC000435571312 943492210 /nfs/dbraw/zinc/49/22/10/943492210.db2.gz UDTMVZDWFJWAEP-UHFFFAOYSA-N 0 1 353.510 3.809 20 10 FHCDMN CN1CCC(N2C(=O)/C(=C\c3cccc4cccnc34)SC2=S)CC1 ZINC000299262998 944505434 /nfs/dbraw/zinc/50/54/34/944505434.db2.gz HIKNODBSHBXJOE-FOWTUZBSSA-N 0 1 369.515 3.530 20 10 FHCDMN CCc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000759877264 944679336 /nfs/dbraw/zinc/67/93/36/944679336.db2.gz FQSITNWKFZWZBE-UHFFFAOYSA-N 0 1 370.493 3.597 20 10 FHCDMN COc1ccc(N2CCN(c3ccnc4cc(F)ccc43)CC2)cc1F ZINC000301546979 945841075 /nfs/dbraw/zinc/84/10/75/945841075.db2.gz FEWBSADHIOTPSB-UHFFFAOYSA-N 0 1 355.388 3.848 20 10 FHCDMN CS(=O)(=O)C[C@@H]1CCCN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000726962238 946750521 /nfs/dbraw/zinc/75/05/21/946750521.db2.gz SWEDHMBTKHFTPG-CQSZACIVSA-N 0 1 373.474 3.548 20 10 FHCDMN CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962238 946750523 /nfs/dbraw/zinc/75/05/23/946750523.db2.gz SWEDHMBTKHFTPG-CQSZACIVSA-N 0 1 373.474 3.548 20 10 FHCDMN CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962238 946750527 /nfs/dbraw/zinc/75/05/27/946750527.db2.gz SWEDHMBTKHFTPG-CQSZACIVSA-N 0 1 373.474 3.548 20 10 FHCDMN CN(Cc1cnc(C(C)(C)C)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000121317240 946768867 /nfs/dbraw/zinc/76/88/67/946768867.db2.gz PMYAXPYZUSMUOR-UHFFFAOYSA-N 0 1 359.539 3.909 20 10 FHCDMN COc1ccc(N2CCC(N(C)Cc3cnc(Cl)s3)CC2)cc1 ZINC000079326797 947395305 /nfs/dbraw/zinc/39/53/05/947395305.db2.gz WDQRGHJICNVJKS-UHFFFAOYSA-N 0 1 351.903 3.906 20 10 FHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000005924573 948119096 /nfs/dbraw/zinc/11/90/96/948119096.db2.gz FDVVNJHNBQQICJ-UHFFFAOYSA-N 0 1 352.462 3.681 20 10 FHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000749113942 948127767 /nfs/dbraw/zinc/12/77/67/948127767.db2.gz DEVXWHBRHVUQTM-UHFFFAOYSA-N 0 1 350.812 3.800 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@@H]3C[C@@H]3C)no2)C1 ZINC000520655983 948511484 /nfs/dbraw/zinc/51/14/84/948511484.db2.gz CWDVEVQIUUSHCQ-GOEBONIOSA-N 0 1 350.466 3.963 20 10 FHCDMN COc1ccc(-n2c(C)cc(C(=O)Nc3nc(C4CCC4)n[nH]3)c2C)cc1 ZINC000760045244 948560548 /nfs/dbraw/zinc/56/05/48/948560548.db2.gz DHUHUPOHGBLSGH-UHFFFAOYSA-N 0 1 365.437 3.741 20 10 FHCDMN COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]c(C4CCC4)n3)c2C)cc1 ZINC000760045244 948560552 /nfs/dbraw/zinc/56/05/52/948560552.db2.gz DHUHUPOHGBLSGH-UHFFFAOYSA-N 0 1 365.437 3.741 20 10 FHCDMN O=C([O-])[C@H]1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000739582034 600715394 /nfs/dbraw/zinc/71/53/94/600715394.db2.gz CKRBXWFYJDQHPW-LBPRGKRZSA-N 0 1 364.239 3.605 20 10 FHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC000833307331 600718649 /nfs/dbraw/zinc/71/86/49/600718649.db2.gz IHVSYWLWUZZSGT-HXUWFJFHSA-N 0 1 363.413 3.817 20 10 FHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000833309020 602124827 /nfs/dbraw/zinc/12/48/27/602124827.db2.gz ZLOSJLPGLHTYEK-QGZVFWFLSA-N 0 1 369.442 3.879 20 10 FHCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833016204 602303990 /nfs/dbraw/zinc/30/39/90/602303990.db2.gz VBOBEKGAPFUSMJ-IBGZPJMESA-N 0 1 365.433 3.623 20 10 FHCDMN CN(C[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1)C(=O)[O-] ZINC000739666652 602525348 /nfs/dbraw/zinc/52/53/48/602525348.db2.gz SVNUTCNNSGPKMC-CYBMUJFWSA-N 0 1 354.406 3.723 20 10 FHCDMN C[C@H](NCc1csc(N(C)C)n1)c1cc(Br)ccc1O ZINC000756636318 945067122 /nfs/dbraw/zinc/06/71/22/945067122.db2.gz IOTPKQOEGBMMTL-VIFPVBQESA-N 0 1 356.289 3.528 20 10 FHCDMN Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000160173700 927086236 /nfs/dbraw/zinc/08/62/36/927086236.db2.gz UYIBKYIPSWNPSG-GOSISDBHSA-N 0 1 367.449 3.865 20 10 FHCDMN C[S@@](=O)C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154700690 929212564 /nfs/dbraw/zinc/21/25/64/929212564.db2.gz SNAREYVNVWJBCR-BWKNWUBXSA-N 0 1 356.535 3.886 20 10 FHCDMN CN1CCN(c2ccc(CNc3ncnc4c5ccccc5oc43)cc2)CC1 ZINC001167423142 930920978 /nfs/dbraw/zinc/92/09/78/930920978.db2.gz OPQNXDJPDRGLPC-UHFFFAOYSA-N 0 1 373.460 3.740 20 10 FHCDMN CN1CCN(c2ccc(CNc3cc(Cl)nc4c3CCCC4)cc2)CC1 ZINC001167423338 930922378 /nfs/dbraw/zinc/92/23/78/930922378.db2.gz WBCGXFYHQRYHME-UHFFFAOYSA-N 0 1 370.928 3.978 20 10 FHCDMN CN1CCN(c2ccc(CNc3ccc(-c4csnn4)cc3)cc2)CC1 ZINC001167434116 931137527 /nfs/dbraw/zinc/13/75/27/931137527.db2.gz CKISVCSDFSYYEI-UHFFFAOYSA-N 0 1 365.506 3.569 20 10 FHCDMN CN1CCN(c2ccc(CNc3cc(Cl)ncc3Cl)cc2)CC1 ZINC001167437609 931298093 /nfs/dbraw/zinc/29/80/93/931298093.db2.gz VCAHUUZFOOZSMP-UHFFFAOYSA-N 0 1 351.281 3.752 20 10 FHCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)C(C)(C)CO4)cc2)CC1 ZINC001167437646 931300315 /nfs/dbraw/zinc/30/03/15/931300315.db2.gz WZMWKABBCIOTCR-UHFFFAOYSA-N 0 1 351.494 3.721 20 10 FHCDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C=Cc3ccc(O)c(O)c3)[nH]c2c1 ZINC000588404988 931765249 /nfs/dbraw/zinc/76/52/49/931765249.db2.gz CJUUOVGPDBTLMD-SKHCZCESSA-N 0 1 363.417 3.659 20 10 FHCDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000588405708 931791625 /nfs/dbraw/zinc/79/16/25/931791625.db2.gz NVHBOORFJDVEAP-YWEYNIOJSA-N 0 1 361.357 3.886 20 10 FHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000706872068 931800227 /nfs/dbraw/zinc/80/02/27/931800227.db2.gz XLXGAQUSYBGMMS-HNNXBMFYSA-N 0 1 361.283 3.519 20 10 FHCDMN CC[C@H]([NH2+]CC1(CF)CCOCC1)c1cc(Br)ccc1[O-] ZINC000834884731 932185357 /nfs/dbraw/zinc/18/53/57/932185357.db2.gz CHQMERBEEKSFIL-AWEZNQCLSA-N 0 1 360.267 3.962 20 10 FHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000157908489 932542947 /nfs/dbraw/zinc/54/29/47/932542947.db2.gz ZUKWYYWMFDPSON-UHFFFAOYSA-N 0 1 353.249 3.727 20 10 FHCDMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000177968653 940494061 /nfs/dbraw/zinc/49/40/61/940494061.db2.gz AEDKUUQJRHQHDN-CQSZACIVSA-N 0 1 366.914 3.531 20 10 FHCDMN COc1ccc(O)c([C@H](C)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000376891910 941460985 /nfs/dbraw/zinc/46/09/85/941460985.db2.gz FWIIJSNEIGYDRT-SCLBCKFNSA-N 0 1 368.437 3.894 20 10 FHCDMN COc1ccc(N2CCC(NCc3cc(COC(C)(C)C)on3)CC2)cc1 ZINC000376938128 941469657 /nfs/dbraw/zinc/46/96/57/941469657.db2.gz VXUXWMKCOWKUDV-UHFFFAOYSA-N 0 1 373.497 3.757 20 10 FHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(-n2cncn2)cc1Cl ZINC000122458183 941751647 /nfs/dbraw/zinc/75/16/47/941751647.db2.gz PVBDOCJYZSYOKO-CYBMUJFWSA-N 0 1 373.863 3.977 20 10 FHCDMN CC(=O)c1cc(F)cc(CN[C@H](C)c2ccc(Br)cn2)c1O ZINC000280326814 942160920 /nfs/dbraw/zinc/16/09/20/942160920.db2.gz HKAGQPOBXNLOHD-SECBINFHSA-N 0 1 367.218 3.742 20 10 FHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1[O-] ZINC000280326814 942160921 /nfs/dbraw/zinc/16/09/21/942160921.db2.gz HKAGQPOBXNLOHD-SECBINFHSA-N 0 1 367.218 3.742 20 10 FHCDMN CN(Cc1ccccc1O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167735203 942573667 /nfs/dbraw/zinc/57/36/67/942573667.db2.gz VCAUVRASFLPUTI-UHFFFAOYSA-N 0 1 351.200 3.695 20 10 FHCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(Br)cc1[O-] ZINC000273388048 942946068 /nfs/dbraw/zinc/94/60/68/942946068.db2.gz KBWXXCYPTQQSOM-QMTHXVAHSA-N 0 1 350.260 3.616 20 10 FHCDMN Cc1ccc(O)c([C@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273431055 942955594 /nfs/dbraw/zinc/95/55/94/942955594.db2.gz VQDFDORYZNBYKY-NSHDSACASA-N 0 1 350.344 3.613 20 10 FHCDMN C[C@@H]1CCCN(c2ccc(CNc3nc4[nH]ncc4c(=O)[nH]3)cc2Cl)C1 ZINC000281837163 942991111 /nfs/dbraw/zinc/99/11/11/942991111.db2.gz IQHASXQLXSTEQQ-LLVKDONJSA-N 0 1 372.860 3.560 20 10 FHCDMN CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cccc(Cl)c2O)n1 ZINC000271752141 943044712 /nfs/dbraw/zinc/04/47/12/943044712.db2.gz BYLCNUCZNHUGIK-LBPRGKRZSA-N 0 1 353.850 3.794 20 10 FHCDMN C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186198277 943284243 /nfs/dbraw/zinc/28/42/43/943284243.db2.gz RMRYCBXLIVWTRF-HZPDHXFCSA-N 0 1 373.456 3.995 20 10 FHCDMN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C)c(C)c1O ZINC000187059809 943422619 /nfs/dbraw/zinc/42/26/19/943422619.db2.gz DBDACPBWDKVIRA-UHFFFAOYSA-N 0 1 360.357 3.532 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2C=CCCC2)C1 ZINC000435814222 943787444 /nfs/dbraw/zinc/78/74/44/943787444.db2.gz RUAIZIYDMHPAGQ-KRWDZBQOSA-N 0 1 351.494 3.633 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(C3CC3)CC2)C1 ZINC000435902248 943836428 /nfs/dbraw/zinc/83/64/28/943836428.db2.gz LDUWSUNMTNYKHT-UHFFFAOYSA-N 0 1 365.521 3.714 20 10 FHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000189420587 943881972 /nfs/dbraw/zinc/88/19/72/943881972.db2.gz GLEPEOGFFNLKML-UHFFFAOYSA-N 0 1 361.341 3.611 20 10 FHCDMN COC(=O)CC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000729463872 944327928 /nfs/dbraw/zinc/32/79/28/944327928.db2.gz LLUZDEDYPOETJQ-UHFFFAOYSA-N 0 1 350.418 3.506 20 10 FHCDMN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000729463872 944327935 /nfs/dbraw/zinc/32/79/35/944327935.db2.gz LLUZDEDYPOETJQ-UHFFFAOYSA-N 0 1 350.418 3.506 20 10 FHCDMN [O-]c1c(F)cc(F)cc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000894780966 944604765 /nfs/dbraw/zinc/60/47/65/944604765.db2.gz BMALANAHSSJGRQ-SWLSCSKDSA-N 0 1 351.418 3.671 20 10 FHCDMN CC[C@@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444126873 945950050 /nfs/dbraw/zinc/95/00/50/945950050.db2.gz MNDMWNRTWGFDAK-QGZVFWFLSA-N 0 1 353.510 3.809 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)C[C@H]2C)C1 ZINC000444258417 946141227 /nfs/dbraw/zinc/14/12/27/946141227.db2.gz HCOYYNGKNPTUBJ-IAGOWNOFSA-N 0 1 353.510 3.665 20 10 FHCDMN Cc1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000760028985 946148731 /nfs/dbraw/zinc/14/87/31/946148731.db2.gz AAGLOPRZMSWVKS-UHFFFAOYSA-N 0 1 353.401 3.871 20 10 FHCDMN Cc1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)c(C)n1-c1ccc(F)cc1 ZINC000760028985 946148741 /nfs/dbraw/zinc/14/87/41/946148741.db2.gz AAGLOPRZMSWVKS-UHFFFAOYSA-N 0 1 353.401 3.871 20 10 FHCDMN C[C@H]([NH2+]CCOc1ncccc1Cl)c1cc(Br)ccc1[O-] ZINC000756762745 946614863 /nfs/dbraw/zinc/61/48/63/946614863.db2.gz ZKILQAITWSJSKA-JTQLQIEISA-N 0 1 371.662 3.933 20 10 FHCDMN Cc1ccc2ncc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)n2c1 ZINC000160209544 948616244 /nfs/dbraw/zinc/61/62/44/948616244.db2.gz BJWJDHBLOZFKSL-IBGZPJMESA-N 0 1 351.450 3.530 20 10 FHCDMN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000038013757 211350185 /nfs/dbraw/zinc/35/01/85/211350185.db2.gz VUQXDBBVGYDRHG-RISCZKNCSA-N 0 1 357.292 3.500 20 10 FHCDMN CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cc(Br)ccc1[O-] ZINC000038013760 211349596 /nfs/dbraw/zinc/34/95/96/211349596.db2.gz VUQXDBBVGYDRHG-SMDDNHRTSA-N 0 1 357.292 3.500 20 10 FHCDMN COc1cc(Cl)cc(C[N@H+](C)C2CCN(c3ccccn3)CC2)c1[O-] ZINC000359962564 132375933 /nfs/dbraw/zinc/37/59/33/132375933.db2.gz VNBDWJJZZMXULG-UHFFFAOYSA-N 0 1 361.873 3.550 20 10 FHCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)c1[O-] ZINC000359962564 132375934 /nfs/dbraw/zinc/37/59/34/132375934.db2.gz VNBDWJJZZMXULG-UHFFFAOYSA-N 0 1 361.873 3.550 20 10 FHCDMN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)Cc1ccc(F)c2cccnc12 ZINC000739793330 600145062 /nfs/dbraw/zinc/14/50/62/600145062.db2.gz FUBZEPJQWLFTJN-UHFFFAOYSA-N 0 1 374.799 3.820 20 10 FHCDMN CC(C)[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(N(C)C)cc1 ZINC000833498323 605294812 /nfs/dbraw/zinc/29/48/12/605294812.db2.gz MNOVYUIGMVXDMX-UHFFFAOYSA-N 0 1 356.466 3.627 20 10 FHCDMN CCOC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000749552664 936331609 /nfs/dbraw/zinc/33/16/09/936331609.db2.gz WHKZZPSSTFYXGT-UHFFFAOYSA-N 0 1 367.873 3.804 20 10 FHCDMN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)nc1 ZINC000122065460 937142527 /nfs/dbraw/zinc/14/25/27/937142527.db2.gz IZSYMKFNYWZRPQ-CQSZACIVSA-N 0 1 359.857 3.600 20 10 FHCDMN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)nc1 ZINC000122065460 937142529 /nfs/dbraw/zinc/14/25/29/937142529.db2.gz IZSYMKFNYWZRPQ-CQSZACIVSA-N 0 1 359.857 3.600 20 10 FHCDMN Cc1cc2c(ccnc2NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC001167423398 930922133 /nfs/dbraw/zinc/92/21/33/930922133.db2.gz YCLCMHBHNFEVEO-UHFFFAOYSA-N 0 1 352.507 3.969 20 10 FHCDMN CN1CCN(c2ccc(CNc3cc(F)cc4cccnc43)cc2)CC1 ZINC001167434699 931153219 /nfs/dbraw/zinc/15/32/19/931153219.db2.gz SRWMMZFLCBOOOK-UHFFFAOYSA-N 0 1 350.441 3.738 20 10 FHCDMN COc1cc(Br)cc(CNC(C)(C)c2ncc(C)s2)c1O ZINC000175981833 931568766 /nfs/dbraw/zinc/56/87/66/931568766.db2.gz NMPSVNFIAQBYMC-UHFFFAOYSA-N 0 1 371.300 3.953 20 10 FHCDMN CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1[O-])[C@H](O)C(F)F ZINC000834874002 932131505 /nfs/dbraw/zinc/13/15/05/932131505.db2.gz ABIHSHPEZJVCKO-LOWVWBTDSA-N 0 1 352.219 3.600 20 10 FHCDMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000159223215 935816997 /nfs/dbraw/zinc/81/69/97/935816997.db2.gz CRVSPZQDHMWENS-CQSZACIVSA-N 0 1 364.486 3.536 20 10 FHCDMN C[C@@H]1C[C@@H]1c1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)o1 ZINC000255556449 936186186 /nfs/dbraw/zinc/18/61/86/936186186.db2.gz UEWOADUBQOHIAG-RWJXEWCUSA-N 0 1 362.520 3.698 20 10 FHCDMN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000382534344 940342345 /nfs/dbraw/zinc/34/23/45/940342345.db2.gz NIXWFOMFKXDKOA-CABCVRRESA-N 0 1 354.878 3.971 20 10 FHCDMN COc1ccc(O)c([C@H](C)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000376891911 941460884 /nfs/dbraw/zinc/46/08/84/941460884.db2.gz FWIIJSNEIGYDRT-UGSOOPFHSA-N 0 1 368.437 3.894 20 10 FHCDMN NC(=O)CCOc1ccccc1NCc1cc(Cl)cc(Cl)c1O ZINC000122378121 941707202 /nfs/dbraw/zinc/70/72/02/941707202.db2.gz NZBURGXVQJQDLU-UHFFFAOYSA-N 0 1 355.221 3.565 20 10 FHCDMN Cc1nnc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)[nH]1 ZINC000728703454 941758126 /nfs/dbraw/zinc/75/81/26/941758126.db2.gz WCPXNLULUQQXPS-UHFFFAOYSA-N 0 1 374.242 3.535 20 10 FHCDMN Cc1n[nH]c(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1 ZINC000728703454 941758131 /nfs/dbraw/zinc/75/81/31/941758131.db2.gz WCPXNLULUQQXPS-UHFFFAOYSA-N 0 1 374.242 3.535 20 10 FHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCN(Cc2ccncc2)CC1 ZINC000377925270 942074040 /nfs/dbraw/zinc/07/40/40/942074040.db2.gz UZCFDHOAMLJPRG-UHFFFAOYSA-N 0 1 363.864 3.676 20 10 FHCDMN COc1ccc(N2CCCN(Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000378352658 942634654 /nfs/dbraw/zinc/63/46/54/942634654.db2.gz ZDRDMPJFNXQJKS-IBGZPJMESA-N 0 1 373.522 3.716 20 10 FHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](C4(C)OCCO4)C3)c2c1 ZINC000182834252 942795210 /nfs/dbraw/zinc/79/52/10/942795210.db2.gz WVQCKNQIQCNNRY-MRXNPFEDSA-N 0 1 357.450 3.529 20 10 FHCDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C4(C)OCCO4)C3)c2c1 ZINC000182834252 942795212 /nfs/dbraw/zinc/79/52/12/942795212.db2.gz WVQCKNQIQCNNRY-MRXNPFEDSA-N 0 1 357.450 3.529 20 10 FHCDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](C4(C)OCCO4)C3)c2c1 ZINC000182834252 942795215 /nfs/dbraw/zinc/79/52/15/942795215.db2.gz WVQCKNQIQCNNRY-MRXNPFEDSA-N 0 1 357.450 3.529 20 10 FHCDMN COc1ccc(CNCc2ccsc2Br)c(O)c1OC ZINC000894264893 942866089 /nfs/dbraw/zinc/86/60/89/942866089.db2.gz UDUBEFHECZUJMY-UHFFFAOYSA-N 0 1 358.257 3.523 20 10 FHCDMN COCCOc1ncccc1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000273300322 942927303 /nfs/dbraw/zinc/92/73/03/942927303.db2.gz BEXRIZXGZBUNOF-OAHLLOKOSA-N 0 1 352.434 3.816 20 10 FHCDMN Cc1ccc([C@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c(O)c1 ZINC000273407065 942949439 /nfs/dbraw/zinc/94/94/39/942949439.db2.gz OQYFCCGHFXRQQT-NSHDSACASA-N 0 1 350.344 3.613 20 10 FHCDMN COc1c([O-])c(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[N+](=O)[O-] ZINC000278826919 943017192 /nfs/dbraw/zinc/01/71/92/943017192.db2.gz IEQCNHNFXQZMPU-MRXNPFEDSA-N 0 1 370.409 3.672 20 10 FHCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894779281 944594293 /nfs/dbraw/zinc/59/42/93/944594293.db2.gz FMDJOOLQUDFLPQ-JTQLQIEISA-N 0 1 370.678 3.531 20 10 FHCDMN CC[C@H](C)Oc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000516238045 944606265 /nfs/dbraw/zinc/60/62/65/944606265.db2.gz GMGWCUWFEGPXJR-NSHDSACASA-N 0 1 363.464 3.669 20 10 FHCDMN CCCN(CC(=O)c1cc(C)n(CCOC)c1C)Cc1ccccc1O ZINC000085791589 944825141 /nfs/dbraw/zinc/82/51/41/944825141.db2.gz PMDPQVATCLWRLV-UHFFFAOYSA-N 0 1 358.482 3.552 20 10 FHCDMN C[C@@H]([NH2+]CCOc1ncccc1Cl)c1cc(Br)ccc1[O-] ZINC000756762746 946608654 /nfs/dbraw/zinc/60/86/54/946608654.db2.gz ZKILQAITWSJSKA-SNVBAGLBSA-N 0 1 371.662 3.933 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC3(C2)CCCC3)C1 ZINC000444356472 947098025 /nfs/dbraw/zinc/09/80/25/947098025.db2.gz KEJJPXWWVWHPPS-UHFFFAOYSA-N 0 1 365.521 3.810 20 10 FHCDMN Cc1cc(Br)c(O)c(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000840998530 947702948 /nfs/dbraw/zinc/70/29/48/947702948.db2.gz IJVWYKLTHKRODQ-CYBMUJFWSA-N 0 1 358.276 3.832 20 10 FHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000365404300 568623026 /nfs/dbraw/zinc/62/30/26/568623026.db2.gz QMHJCTBVRQDHHN-QGZVFWFLSA-N 0 1 368.525 3.753 20 10 FHCDMN C[C@@H](C[N@@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21)C(=O)[O-] ZINC000736582502 601088652 /nfs/dbraw/zinc/08/86/52/601088652.db2.gz IQESUFZOVNQXDT-HNNXBMFYSA-N 0 1 350.418 3.663 20 10 FHCDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000828028925 601890356 /nfs/dbraw/zinc/89/03/56/601890356.db2.gz IIZGDEJZZYZIOV-KRWDZBQOSA-N 0 1 364.239 3.605 20 10 FHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000708210547 937162992 /nfs/dbraw/zinc/16/29/92/937162992.db2.gz DWVUSRYZQDITCR-UHFFFAOYSA-N 0 1 360.679 3.811 20 10 FHCDMN C[C@@H](CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001208897972 928917088 /nfs/dbraw/zinc/91/70/88/928917088.db2.gz JQOFQEDUDLMPSM-NSHDSACASA-N 0 1 356.310 3.906 20 10 FHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4ccsc43)cc2)CC1 ZINC001167422960 930919191 /nfs/dbraw/zinc/91/91/91/930919191.db2.gz IIXSAOJLERQGPX-UHFFFAOYSA-N 0 1 373.913 3.709 20 10 FHCDMN CN1CCN(c2ccc(CNc3nccc(C(F)(F)F)c3F)cc2)CC1 ZINC001167423268 930921373 /nfs/dbraw/zinc/92/13/73/930921373.db2.gz UCCVLZZJRQXSAJ-UHFFFAOYSA-N 0 1 368.378 3.603 20 10 FHCDMN CN1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1 ZINC001167430993 931031237 /nfs/dbraw/zinc/03/12/37/931031237.db2.gz ANWQPMGUGCVZIM-UHFFFAOYSA-N 0 1 360.299 3.813 20 10 FHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(OC)c1OC ZINC000156839129 931616979 /nfs/dbraw/zinc/61/69/79/931616979.db2.gz KMUCSYQLELRLRN-UHFFFAOYSA-N 0 1 358.482 3.801 20 10 FHCDMN C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167628399 936220297 /nfs/dbraw/zinc/22/02/97/936220297.db2.gz RLIRJECJUKAMAL-LBPRGKRZSA-N 0 1 371.447 3.911 20 10 FHCDMN CN(C)c1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1F ZINC000122325621 941528413 /nfs/dbraw/zinc/52/84/13/941528413.db2.gz ODSVOZSFUDSLRX-UHFFFAOYSA-N 0 1 361.505 3.553 20 10 FHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000728699840 941693777 /nfs/dbraw/zinc/69/37/77/941693777.db2.gz XDNARKPXXIQIDA-RCCKNPSSSA-N 0 1 370.408 3.727 20 10 FHCDMN CSc1n[nH]c(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n1 ZINC000729353099 941729710 /nfs/dbraw/zinc/72/97/10/941729710.db2.gz YVPKCPHPLAWWQM-UHFFFAOYSA-N 0 1 361.858 3.840 20 10 FHCDMN Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1-n1cnnn1 ZINC000122600720 941916436 /nfs/dbraw/zinc/91/64/36/941916436.db2.gz SREGNZNKKOSSNU-UHFFFAOYSA-N 0 1 350.209 3.595 20 10 FHCDMN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Cl)ccc1[O-] ZINC000760015701 942120726 /nfs/dbraw/zinc/12/07/26/942120726.db2.gz GMSMZEYFWVMUAO-APWZRJJASA-N 0 1 374.912 3.987 20 10 FHCDMN Cc1ccc([C@@H](NCc2cc(C)c(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280627530 942217369 /nfs/dbraw/zinc/21/73/69/942217369.db2.gz GNSQIIREFQPFQD-JXFKEZNVSA-N 0 1 361.507 3.581 20 10 FHCDMN Cc1ccc([C@H](NCc2cc(C)c(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280627533 942217505 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365.227 3.956 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3CCC[C@H]3C2)C1 ZINC000435814494 943771632 /nfs/dbraw/zinc/77/16/32/943771632.db2.gz WCUKKCJRLWFBEA-ROUUACIJSA-N 0 1 365.521 3.666 20 10 FHCDMN CC[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000435806890 943782228 /nfs/dbraw/zinc/78/22/28/943782228.db2.gz FIODZUWFPAZAMB-KRWDZBQOSA-N 0 1 353.510 3.666 20 10 FHCDMN CC[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000435806891 943782937 /nfs/dbraw/zinc/78/29/37/943782937.db2.gz FIODZUWFPAZAMB-QGZVFWFLSA-N 0 1 353.510 3.666 20 10 FHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C3CC3)C2)C1 ZINC000436029744 943950830 /nfs/dbraw/zinc/95/08/30/943950830.db2.gz GPERYSOELCCUPI-SFHVURJKSA-N 0 1 365.521 3.666 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C3CC3)C2)C1 ZINC000436029744 943950837 /nfs/dbraw/zinc/95/08/37/943950837.db2.gz GPERYSOELCCUPI-SFHVURJKSA-N 0 1 365.521 3.666 20 10 FHCDMN COC(=O)c1nc([C@@H]2CCCN2Cc2cc(F)cc(F)c2O)sc1C ZINC000894601657 944296527 /nfs/dbraw/zinc/29/65/27/944296527.db2.gz FEIKTTBVVUDIKH-ZDUSSCGKSA-N 0 1 368.405 3.559 20 10 FHCDMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000123566651 944373375 /nfs/dbraw/zinc/37/33/75/944373375.db2.gz FVMSNQNUEFEHPB-FOIQADDNSA-N 0 1 360.885 3.561 20 10 FHCDMN Oc1ccc(Br)cc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000894431974 945633080 /nfs/dbraw/zinc/63/30/80/945633080.db2.gz LUYDZIWHUWOSNN-UHFFFAOYSA-N 0 1 356.651 3.698 20 10 FHCDMN COc1ccsc1[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840757450 946140147 /nfs/dbraw/zinc/14/01/47/946140147.db2.gz AAWKZMIBYJSNPV-LBPRGKRZSA-N 0 1 368.449 3.722 20 10 FHCDMN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)n1 ZINC000897044886 946520313 /nfs/dbraw/zinc/52/03/13/946520313.db2.gz PURYUSSPIAMGBX-MFKMUULPSA-N 0 1 366.259 3.526 20 10 FHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ncccc1C(F)(F)F ZINC000121295434 947079206 /nfs/dbraw/zinc/07/92/06/947079206.db2.gz GNXUZUZTWVEGRY-UHFFFAOYSA-N 0 1 365.399 3.569 20 10 FHCDMN CC(C)[C@H]1CCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444351338 947095862 /nfs/dbraw/zinc/09/58/62/947095862.db2.gz JSEYGSDIZWULJZ-LJQANCHMSA-N 0 1 353.510 3.665 20 10 FHCDMN Cc1cc(Br)c(O)c(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000840998531 947703732 /nfs/dbraw/zinc/70/37/32/947703732.db2.gz IJVWYKLTHKRODQ-ZDUSSCGKSA-N 0 1 358.276 3.832 20 10 FHCDMN CC[N@@H+](CCCC(=O)OC)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367861 947712462 /nfs/dbraw/zinc/71/24/62/947712462.db2.gz URJBQUBTHNCOLZ-UHFFFAOYSA-N 0 1 364.667 3.583 20 10 FHCDMN C[N@H+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C2(CCCC2)C1 ZINC001141377543 947889489 /nfs/dbraw/zinc/88/94/89/947889489.db2.gz RWQZYCCAOVBCJV-UHFFFAOYSA-N 0 1 373.722 3.868 20 10 FHCDMN COc1c([O-])c(C[NH2+][C@@H](c2ccccn2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000365386414 568602091 /nfs/dbraw/zinc/60/20/91/568602091.db2.gz QUWVJKNVWWBNHZ-QGZVFWFLSA-N 0 1 357.410 3.725 20 10 FHCDMN Cc1cnn([C@@H]2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)c1 ZINC000738808501 600427134 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CC[C@H]([NH2+]CCCCn1ccnc1)c1cc(Br)ccc1[O-] ZINC000045094653 935606638 /nfs/dbraw/zinc/60/66/38/935606638.db2.gz RYPDXBVTTUWUNZ-HNNXBMFYSA-N 0 1 352.276 3.872 20 10 FHCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(Cl)c(F)c3)SC2=S)CC1 ZINC000255658171 939038538 /nfs/dbraw/zinc/03/85/38/939038538.db2.gz QOTSEIRSZQLOKU-NTEUORMPSA-N 0 1 370.902 3.775 20 10 FHCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000310053140 939113866 /nfs/dbraw/zinc/11/38/66/939113866.db2.gz UKIYZVCPEYRXSF-WFASDCNBSA-N 0 1 354.878 3.923 20 10 FHCDMN CCN(C)[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000728602796 939126680 /nfs/dbraw/zinc/12/66/80/939126680.db2.gz OIQLVJBOWJQMMF-OAQYLSRUSA-N 0 1 353.510 3.842 20 10 FHCDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCc2cc(OC(F)F)ccc21 ZINC001167717136 941757303 /nfs/dbraw/zinc/75/73/03/941757303.db2.gz LSPLBXWQIAQHGZ-UHFFFAOYSA-N 0 1 350.321 3.855 20 10 FHCDMN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273349453 942937277 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C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCC1 ZINC000756788883 947053150 /nfs/dbraw/zinc/05/31/50/947053150.db2.gz FWBSVTQETVJPJW-STQMWFEESA-N 0 1 356.304 3.994 20 10 FHCDMN CCN(CC)c1ccc(CNc2nc(C(F)(F)F)nc3[nH]cnc32)cc1 ZINC000301112594 947184054 /nfs/dbraw/zinc/18/40/54/947184054.db2.gz WHAQSENRDMJOMC-UHFFFAOYSA-N 0 1 364.375 3.830 20 10 FHCDMN CCOc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CCO2 ZINC000178509133 948027152 /nfs/dbraw/zinc/02/71/52/948027152.db2.gz XGWFXLDZPBOAJA-OAQYLSRUSA-N 0 1 368.477 3.535 20 10 FHCDMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1c(O)ccc2ccccc21 ZINC000739795597 599854303 /nfs/dbraw/zinc/85/43/03/599854303.db2.gz OCGPQBLNOSSXHP-UHFFFAOYSA-N 0 1 357.356 3.910 20 10 FHCDMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000828024259 601953293 /nfs/dbraw/zinc/95/32/93/601953293.db2.gz KRTBDAUWYFNLRK-FQEVSTJZSA-N 0 1 366.421 3.837 20 10 FHCDMN Oc1ccccc1CN(Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCCO1 ZINC000160189385 927163081 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3.929 20 10 FHCDMN C[N@H+](Cc1ccccc1O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377925562 942073964 /nfs/dbraw/zinc/07/39/64/942073964.db2.gz YXMRCQSCLLBHOF-UHFFFAOYSA-N 0 1 353.466 3.768 20 10 FHCDMN CC[C@@H](N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(C)cc1O ZINC000280007347 942085354 /nfs/dbraw/zinc/08/53/54/942085354.db2.gz GLCNWGOJNWIPRO-GDBMZVCRSA-N 0 1 351.454 3.991 20 10 FHCDMN C[N@@H+](Cc1cccc(F)c1[O-])C1CCN(c2ncnc3ccccc32)CC1 ZINC000378501362 942832534 /nfs/dbraw/zinc/83/25/34/942832534.db2.gz YPMQLMPAMGBQAL-UHFFFAOYSA-N 0 1 366.440 3.575 20 10 FHCDMN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Br)ccc1[O-] ZINC000273393069 942947184 /nfs/dbraw/zinc/94/71/84/942947184.db2.gz LEOUEBOXNIRDHI-IINYFYTJSA-N 0 1 350.260 3.616 20 10 FHCDMN Cc1cccc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1O ZINC000272036406 943085963 /nfs/dbraw/zinc/08/59/63/943085963.db2.gz XMRAEYLIVFUSJU-UHFFFAOYSA-N 0 1 370.762 3.705 20 10 FHCDMN C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185293182 943142738 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FHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1O ZINC000825946535 601657303 /nfs/dbraw/zinc/65/73/03/601657303.db2.gz DBRROWLYEMINQN-DIFFPNOSSA-N 0 1 361.825 3.800 20 10 FHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1O ZINC000825946534 601657319 /nfs/dbraw/zinc/65/73/19/601657319.db2.gz DBRROWLYEMINQN-APPDUMDISA-N 0 1 361.825 3.800 20 10 FHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000833308858 602087306 /nfs/dbraw/zinc/08/73/06/602087306.db2.gz YLQAQINKWQGAQA-GOSISDBHSA-N 0 1 369.442 3.879 20 10 FHCDMN C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@H]1NC(=O)[O-] ZINC000739179148 603399193 /nfs/dbraw/zinc/39/91/93/603399193.db2.gz AACKUMFVVRZKHX-MLGOLLRUSA-N 0 1 354.406 3.770 20 10 FHCDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833450312 604795926 /nfs/dbraw/zinc/79/59/26/604795926.db2.gz OEDXBOBRHBZHQI-UHFFFAOYSA-N 0 1 355.434 3.652 20 10 FHCDMN COc1ccc(O)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000833733882 605240592 /nfs/dbraw/zinc/24/05/92/605240592.db2.gz UTOPGPHNKGTDTL-MRXNPFEDSA-N 0 1 370.232 3.965 20 10 FHCDMN Oc1ccccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000826511105 608695717 /nfs/dbraw/zinc/69/57/17/608695717.db2.gz BZUHWCKPPWTRJW-UHFFFAOYSA-N 0 1 355.467 3.579 20 10 FHCDMN Oc1ccccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000826511105 608695720 /nfs/dbraw/zinc/69/57/20/608695720.db2.gz BZUHWCKPPWTRJW-UHFFFAOYSA-N 0 1 355.467 3.579 20 10 FHCDMN Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000826511105 608695723 /nfs/dbraw/zinc/69/57/23/608695723.db2.gz BZUHWCKPPWTRJW-UHFFFAOYSA-N 0 1 355.467 3.579 20 10 FHCDMN Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000826511105 608695726 /nfs/dbraw/zinc/69/57/26/608695726.db2.gz BZUHWCKPPWTRJW-UHFFFAOYSA-N 0 1 355.467 3.579 20 10 FHCDMN Cc1ccc(NC(=O)C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)nc1 ZINC000122027811 936386560 /nfs/dbraw/zinc/38/65/60/936386560.db2.gz WUTCQJQLWOGXRM-UHFFFAOYSA-N 0 1 359.857 3.600 20 10 FHCDMN Oc1ccccc1CN(Cc1ncccc1C(F)(F)F)C[C@H]1CCCO1 ZINC000160172484 927092300 /nfs/dbraw/zinc/09/23/00/927092300.db2.gz SNTSVMQHWJVCCN-OAHLLOKOSA-N 0 1 366.383 3.987 20 10 FHCDMN C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C(C1CC1)C1CC1 ZINC000728198269 928064260 /nfs/dbraw/zinc/06/42/60/928064260.db2.gz LRKOREBASXTLAE-UHFFFAOYSA-N 0 1 351.446 3.949 20 10 FHCDMN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C(C1CC1)C1CC1 ZINC000728198269 928064273 /nfs/dbraw/zinc/06/42/73/928064273.db2.gz LRKOREBASXTLAE-UHFFFAOYSA-N 0 1 351.446 3.949 20 10 FHCDMN CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cc(Br)ccc1[O-] ZINC000274913341 929024720 /nfs/dbraw/zinc/02/47/20/929024720.db2.gz NPUQFVHWCGJLNY-ABIUDSBCSA-N 0 1 369.303 3.500 20 10 FHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000382441311 929675546 /nfs/dbraw/zinc/67/55/46/929675546.db2.gz FPYJWMBCPZLRCG-QWHCGFSZSA-N 0 1 354.878 3.829 20 10 FHCDMN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000471498277 930030594 /nfs/dbraw/zinc/03/05/94/930030594.db2.gz YGYZOEROZPOCEC-SFHVURJKSA-N 0 1 370.522 3.650 20 10 FHCDMN CC1(C)Cc2cccc(CNCc3ccc(N4CCOCC4)c(F)c3)c2O1 ZINC000161704638 937435687 /nfs/dbraw/zinc/43/56/87/937435687.db2.gz DEOPYKXZABJGGE-UHFFFAOYSA-N 0 1 370.468 3.666 20 10 FHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4ccccc43)cc2)CC1 ZINC001167423188 930921514 /nfs/dbraw/zinc/92/15/14/930921514.db2.gz QDKVRCAZTHVNJE-UHFFFAOYSA-N 0 1 367.884 3.647 20 10 FHCDMN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000471620766 931209703 /nfs/dbraw/zinc/20/97/03/931209703.db2.gz UEAYSIPYMVTDCW-LJQANCHMSA-N 0 1 370.522 3.650 20 10 FHCDMN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000471620764 931209854 /nfs/dbraw/zinc/20/98/54/931209854.db2.gz UEAYSIPYMVTDCW-IBGZPJMESA-N 0 1 370.522 3.650 20 10 FHCDMN COCCOc1ccc(N2CCN(Cc3cc(C)c(F)c(C)c3)CC2)cc1 ZINC001143384604 931340845 /nfs/dbraw/zinc/34/08/45/931340845.db2.gz JISKUYMFHKCOKB-UHFFFAOYSA-N 0 1 372.484 3.790 20 10 FHCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(F)c(Cl)c3)SC2=S)CC1 ZINC000157403074 935070030 /nfs/dbraw/zinc/07/00/30/935070030.db2.gz VGOKAXRGJHNUNY-ZROIWOOFSA-N 0 1 370.902 3.775 20 10 FHCDMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)n[nH]1 ZINC000158512381 935611309 /nfs/dbraw/zinc/61/13/09/935611309.db2.gz JQVSRWQPQIFYOV-OAHLLOKOSA-N 0 1 370.497 3.899 20 10 FHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccn1 ZINC000158687747 935697168 /nfs/dbraw/zinc/69/71/68/935697168.db2.gz GULAQKNNLNHUGQ-AWEZNQCLSA-N 0 1 365.399 3.788 20 10 FHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000158540168 935834463 /nfs/dbraw/zinc/83/44/63/935834463.db2.gz JMSRVCUCCOHWFA-UHFFFAOYSA-N 0 1 353.249 3.727 20 10 FHCDMN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cc(F)ccc1F ZINC000278474223 938462194 /nfs/dbraw/zinc/46/21/94/938462194.db2.gz IBMNVXDSDHJTPN-CQSZACIVSA-N 0 1 352.337 3.828 20 10 FHCDMN COc1cc(Br)cc(CN(C)Cc2scnc2C)c1O ZINC000179425995 939161374 /nfs/dbraw/zinc/16/13/74/939161374.db2.gz FQLXPPFAKOFKNA-UHFFFAOYSA-N 0 1 357.273 3.560 20 10 FHCDMN COc1cc(Br)cc(CN2CCC[C@H]2c2cccn2C)c1O ZINC000179704827 939924772 /nfs/dbraw/zinc/92/47/72/939924772.db2.gz LCPNTNVUXCSLEJ-HNNXBMFYSA-N 0 1 365.271 3.839 20 10 FHCDMN CCCCCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000728697381 941666215 /nfs/dbraw/zinc/66/62/15/941666215.db2.gz FJOJBBLDZODNNK-CYVLTUHYSA-N 0 1 350.418 3.717 20 10 FHCDMN CCOc1cccc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280184522 942127676 /nfs/dbraw/zinc/12/76/76/942127676.db2.gz GZKICENFRSMOIC-AWEZNQCLSA-N 0 1 371.355 3.513 20 10 FHCDMN CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)CC)s2)cc1 ZINC000280669154 942227462 /nfs/dbraw/zinc/22/74/62/942227462.db2.gz UCHIZUFLNRNJTF-UHFFFAOYSA-N 0 1 366.552 3.678 20 10 FHCDMN C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386866 942527768 /nfs/dbraw/zinc/52/77/68/942527768.db2.gz OZIWRIURDZWAPE-KRWDZBQOSA-N 0 1 371.550 3.875 20 10 FHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c1[O-] ZINC000378465426 942795912 /nfs/dbraw/zinc/79/59/12/942795912.db2.gz GQBQCGDUWTYCSI-FQEVSTJZSA-N 0 1 357.425 3.991 20 10 FHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc2ccccc2c1[O-] ZINC000273304942 942927685 /nfs/dbraw/zinc/92/76/85/942927685.db2.gz CLRDVXJQWWKSEL-MRXNPFEDSA-N 0 1 363.461 3.628 20 10 FHCDMN Cc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c(O)c1C ZINC000273350632 942937948 /nfs/dbraw/zinc/93/79/48/942937948.db2.gz BPBDQHVQWZAGGF-UZLBHIALSA-N 0 1 367.493 3.632 20 10 FHCDMN C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000273445457 942958495 /nfs/dbraw/zinc/95/84/95/942958495.db2.gz DZRJYZZNSYVVIW-ZUZCIYMTSA-N 0 1 354.219 3.678 20 10 FHCDMN C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000273519245 942975834 /nfs/dbraw/zinc/97/58/34/942975834.db2.gz TXNNLYLYFARSDE-MEBBXXQBSA-N 0 1 354.219 3.678 20 10 FHCDMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273619856 942998409 /nfs/dbraw/zinc/99/84/09/942998409.db2.gz YRBBCAIMWZPERG-XIKOKIGWSA-N 0 1 371.868 3.535 20 10 FHCDMN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000185127749 943103798 /nfs/dbraw/zinc/10/37/98/943103798.db2.gz SZZJUNWZIMJMIC-YOEHRIQHSA-N 0 1 355.409 3.775 20 10 FHCDMN COc1cc(C[N@@H+](C)Cc2cc(C)cc(Br)c2[O-])ccc1O ZINC000781895535 943685938 /nfs/dbraw/zinc/68/59/38/943685938.db2.gz BJFWAWYHAGCMOG-UHFFFAOYSA-N 0 1 366.255 3.809 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CC2CC2)C1 ZINC000435875111 943828367 /nfs/dbraw/zinc/82/83/67/943828367.db2.gz BHIDVQBMOLCICE-MRXNPFEDSA-N 0 1 353.510 3.713 20 10 FHCDMN CC[C@@H](CSC)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436022565 943943615 /nfs/dbraw/zinc/94/36/15/943943615.db2.gz SLDBINSTBHUZHX-INIZCTEOSA-N 0 1 373.566 3.666 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H](C)C2)C1 ZINC000436016624 943955950 /nfs/dbraw/zinc/95/59/50/943955950.db2.gz SFPGOONDCBUWKR-SJORKVTESA-N 0 1 353.510 3.713 20 10 FHCDMN CN(C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1)C(=O)OC(C)(C)C ZINC000729465965 944413730 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Fc1ccc2c(c1)nccc2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000301305166 947276090 /nfs/dbraw/zinc/27/60/90/947276090.db2.gz ZOUMARQKAMRBKK-UHFFFAOYSA-N 0 1 355.388 3.962 20 10 FHCDMN COc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1OC ZINC000165950424 948080873 /nfs/dbraw/zinc/08/08/73/948080873.db2.gz CTABKSNYRMQREL-HNNXBMFYSA-N 0 1 374.456 3.530 20 10 FHCDMN CCc1c(NC(=O)C2=S=C3CC[C@H](C)CC3=C2)[nH]nc1-c1ccncc1 ZINC000520633632 948455401 /nfs/dbraw/zinc/45/54/01/948455401.db2.gz RAMGEEKYXNRQJL-LBPRGKRZSA-N 0 1 366.490 3.811 20 10 FHCDMN COc1ccc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)cc1 ZINC000737994455 600393463 /nfs/dbraw/zinc/39/34/63/600393463.db2.gz HBKVWPPXRYPZEW-UHFFFAOYSA-N 0 1 351.402 3.884 20 10 FHCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000829497021 600851374 /nfs/dbraw/zinc/85/13/74/600851374.db2.gz VDOWGZUHFUEJEY-HNNXBMFYSA-N 0 1 370.449 3.638 20 10 FHCDMN CN(C[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1)C(=O)[O-] ZINC000739666655 602525268 /nfs/dbraw/zinc/52/52/68/602525268.db2.gz SVNUTCNNSGPKMC-ZDUSSCGKSA-N 0 1 354.406 3.723 20 10 FHCDMN C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@H]1NC(=O)[O-] ZINC000739179134 603398557 /nfs/dbraw/zinc/39/85/57/603398557.db2.gz AACKUMFVVRZKHX-BLLLJJGKSA-N 0 1 354.406 3.770 20 10 FHCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833694981 605063336 /nfs/dbraw/zinc/06/33/36/605063336.db2.gz GMWWIWBNQWRYRT-UHFFFAOYSA-N 0 1 352.478 3.936 20 10 FHCDMN C[C@H](CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001208897964 928917818 /nfs/dbraw/zinc/91/78/18/928917818.db2.gz JQOFQEDUDLMPSM-LLVKDONJSA-N 0 1 356.310 3.906 20 10 FHCDMN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000471233284 929383996 /nfs/dbraw/zinc/38/39/96/929383996.db2.gz CVSRFZWDBDYAGE-NRFANRHFSA-N 0 1 361.489 3.768 20 10 FHCDMN CN1CCN(c2ccc(CNc3nc(Cl)cc4ncccc43)cc2)CC1 ZINC001167423434 930923238 /nfs/dbraw/zinc/92/32/38/930923238.db2.gz ZNKKNFIGCVSBEQ-UHFFFAOYSA-N 0 1 367.884 3.647 20 10 FHCDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167431370 931046412 /nfs/dbraw/zinc/04/64/12/931046412.db2.gz VUSLOFCSLVKJBM-UHFFFAOYSA-N 0 1 368.481 3.884 20 10 FHCDMN Cc1nc(C(F)(F)F)ccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434664 931153253 /nfs/dbraw/zinc/15/32/53/931153253.db2.gz QWGPIROWROVKGS-UHFFFAOYSA-N 0 1 364.415 3.773 20 10 FHCDMN COc1cnc2cc(NCc3ccc(N4CCN(C)CC4)cc3)ccc2c1 ZINC001167436945 931272634 /nfs/dbraw/zinc/27/26/34/931272634.db2.gz IFQUYQZHYBCZJW-UHFFFAOYSA-N 0 1 362.477 3.607 20 10 FHCDMN Cc1cc(Cl)c(NCc2ccc(N3CCN(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC001167441911 931462184 /nfs/dbraw/zinc/46/21/84/931462184.db2.gz YKXIJXMKTQSRAT-UHFFFAOYSA-N 0 1 374.872 3.921 20 10 FHCDMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247395 931764168 /nfs/dbraw/zinc/76/41/68/931764168.db2.gz PTRCWLVXZLYCKJ-KKSFZXQISA-N 0 1 354.494 3.902 20 10 FHCDMN CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1cc(Br)ccc1[O-] ZINC000834884732 932185217 /nfs/dbraw/zinc/18/52/17/932185217.db2.gz CHQMERBEEKSFIL-CQSZACIVSA-N 0 1 360.267 3.962 20 10 FHCDMN Cc1nn(C(C)C)c(C)c1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000891524023 932701399 /nfs/dbraw/zinc/70/13/99/932701399.db2.gz GKMNCHYGRBXPML-UHFFFAOYSA-N 0 1 356.514 3.549 20 10 FHCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000933815312 933572416 /nfs/dbraw/zinc/57/24/16/933572416.db2.gz QTEIUBIRJKHYEN-UHFFFAOYSA-N 0 1 372.375 3.606 20 10 FHCDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)cc1[O-] ZINC000134797078 934216302 /nfs/dbraw/zinc/21/63/02/934216302.db2.gz ZWKPQFADQCXKGT-CEFQPYBMSA-N 0 1 352.272 3.763 20 10 FHCDMN CCOc1cccc(CN(CC(=O)Nc2ccc(F)cc2)C(C)C)c1O ZINC000161734883 938273202 /nfs/dbraw/zinc/27/32/02/938273202.db2.gz BRRCQPHTVQGIQU-UHFFFAOYSA-N 0 1 360.429 3.779 20 10 FHCDMN COc1cc(O)c(CN(C)Cc2ccccc2OC(F)(F)F)cc1OC ZINC000158846073 938895258 /nfs/dbraw/zinc/89/52/58/938895258.db2.gz AVUKFEMEFVMMQC-UHFFFAOYSA-N 0 1 371.355 3.940 20 10 FHCDMN Oc1c(Br)cc(Br)cc1CN1CCC=C(F)C1 ZINC000780894698 939135665 /nfs/dbraw/zinc/13/56/65/939135665.db2.gz JKXRKKAHHJSJIW-UHFFFAOYSA-N 0 1 365.040 3.976 20 10 FHCDMN C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756648206 945234449 /nfs/dbraw/zinc/23/44/49/945234449.db2.gz ZMUMGWMAXUBBGS-GZMMTYOYSA-N 0 1 370.678 3.739 20 10 FHCDMN CCc1oc(C(=O)OC)cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000177153392 939970789 /nfs/dbraw/zinc/97/07/89/939970789.db2.gz KRHZYMKWOUVRNH-KRWDZBQOSA-N 0 1 373.449 3.515 20 10 FHCDMN Cc1nc(CN2CCC[C@@H]([NH2+][C@H](C)c3ccc4ccccc4c3[O-])C2)no1 ZINC000376304415 940736412 /nfs/dbraw/zinc/73/64/12/940736412.db2.gz FJBNRQUTQNTVJK-RHSMWYFYSA-N 0 1 366.465 3.552 20 10 FHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000782841813 941107348 /nfs/dbraw/zinc/10/73/48/941107348.db2.gz GXHBWOYJPCMVEG-HNNXBMFYSA-N 0 1 353.397 3.518 20 10 FHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000782841813 941107349 /nfs/dbraw/zinc/10/73/49/941107349.db2.gz GXHBWOYJPCMVEG-HNNXBMFYSA-N 0 1 353.397 3.518 20 10 FHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nccn1-c1ccccc1 ZINC000377407317 941701002 /nfs/dbraw/zinc/70/10/02/941701002.db2.gz KUBXJWJTAMRDNE-GOSISDBHSA-N 0 1 362.477 3.560 20 10 FHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3cnc[nH]3)cc2Cl)C1 ZINC000282070535 941859079 /nfs/dbraw/zinc/85/90/79/941859079.db2.gz NAPVPTVABQXTCI-CQSZACIVSA-N 0 1 360.889 3.548 20 10 FHCDMN C[C@@H](C(=O)NC1CCCCC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571599 942245536 /nfs/dbraw/zinc/24/55/36/942245536.db2.gz GHKHXSIHZDVYQW-SFHVURJKSA-N 0 1 357.542 3.946 20 10 FHCDMN C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Br)cc(F)c1[O-] ZINC000363854836 942851569 /nfs/dbraw/zinc/85/15/69/942851569.db2.gz AHXJDRWYHFARMT-SDBXPKJASA-N 0 1 354.223 3.745 20 10 FHCDMN C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894592985 944306309 /nfs/dbraw/zinc/30/63/09/944306309.db2.gz NRIFTOHLOAYZFF-LBPRGKRZSA-N 0 1 362.376 3.820 20 10 FHCDMN COc1cc(N2CCN(Cc3cc(C)cc(C)c3)CC2)cc(OC)c1OC ZINC000759886981 944739092 /nfs/dbraw/zinc/73/90/92/944739092.db2.gz RTGMFUVEYUTDHR-UHFFFAOYSA-N 0 1 370.493 3.651 20 10 FHCDMN O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124017763 945003451 /nfs/dbraw/zinc/00/34/51/945003451.db2.gz JRVNICYJGMCLSR-CQSZACIVSA-N 0 1 363.820 3.581 20 10 FHCDMN O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124017763 945003461 /nfs/dbraw/zinc/00/34/61/945003461.db2.gz JRVNICYJGMCLSR-CQSZACIVSA-N 0 1 363.820 3.581 20 10 FHCDMN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000124017763 945003471 /nfs/dbraw/zinc/00/34/71/945003471.db2.gz JRVNICYJGMCLSR-CQSZACIVSA-N 0 1 363.820 3.581 20 10 FHCDMN C[C@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1ccc(N(C)C)cc1 ZINC000302900674 946376046 /nfs/dbraw/zinc/37/60/46/946376046.db2.gz SSTLPTGYPKJVOZ-VIFPVBQESA-N 0 1 350.348 3.611 20 10 FHCDMN C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Br)cc(F)c1[O-] ZINC000840889077 946587928 /nfs/dbraw/zinc/58/79/28/946587928.db2.gz BDBQTUVZLYEQKU-SSDOTTSWSA-N 0 1 372.263 3.874 20 10 FHCDMN C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCC1 ZINC000756788881 947037688 /nfs/dbraw/zinc/03/76/88/947037688.db2.gz FWBSVTQETVJPJW-OLZOCXBDSA-N 0 1 356.304 3.994 20 10 FHCDMN Cc1ccnc(-c2n[nH]c([C@H](C)NCc3cc(Cl)cc(C)c3O)n2)c1 ZINC000278863944 947744519 /nfs/dbraw/zinc/74/45/19/947744519.db2.gz FDNZGQISPLJZEW-LBPRGKRZSA-N 0 1 357.845 3.693 20 10 FHCDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCO2 ZINC000178509145 948027493 /nfs/dbraw/zinc/02/74/93/948027493.db2.gz XGWFXLDZPBOAJA-NRFANRHFSA-N 0 1 368.477 3.535 20 10 FHCDMN COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(OC)c1 ZINC000066972284 948129889 /nfs/dbraw/zinc/12/98/89/948129889.db2.gz KVYYRJQCFWGNFJ-HNNXBMFYSA-N 0 1 374.456 3.530 20 10 FHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000278102370 937173121 /nfs/dbraw/zinc/17/31/21/937173121.db2.gz KINYOHURAZSOHP-UHFFFAOYSA-N 0 1 365.399 3.569 20 10 FHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000175740699 928033690 /nfs/dbraw/zinc/03/36/90/928033690.db2.gz PIKKNEMUEVLULW-KRWDZBQOSA-N 0 1 357.425 3.773 20 10 FHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000175740699 928033707 /nfs/dbraw/zinc/03/37/07/928033707.db2.gz PIKKNEMUEVLULW-KRWDZBQOSA-N 0 1 357.425 3.773 20 10 FHCDMN C[S@](=O)C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154700794 929212777 /nfs/dbraw/zinc/21/27/77/929212777.db2.gz SNAREYVNVWJBCR-PXDATVDWSA-N 0 1 356.535 3.886 20 10 FHCDMN CN1CCN(c2ccc(CNc3ncc4cccc(Cl)c4n3)cc2)CC1 ZINC001167423077 930919947 /nfs/dbraw/zinc/91/99/47/930919947.db2.gz MDGADVAUHANPJK-UHFFFAOYSA-N 0 1 367.884 3.647 20 10 FHCDMN CCCOc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c(F)c1 ZINC001167436866 931265411 /nfs/dbraw/zinc/26/54/11/931265411.db2.gz DFJMEKZATRKKCP-UHFFFAOYSA-N 0 1 357.473 3.978 20 10 FHCDMN CCN(C)c1ccc(CN(CC)[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC001167478132 932477163 /nfs/dbraw/zinc/47/71/63/932477163.db2.gz LDSFNSIGSUPLSK-NRFANRHFSA-N 0 1 351.494 3.770 20 10 FHCDMN COc1ccc(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c(O)c1OC ZINC000891744637 933105815 /nfs/dbraw/zinc/10/58/15/933105815.db2.gz XWVMRWXDRVMHGM-UHFFFAOYSA-N 0 1 369.461 3.813 20 10 FHCDMN COc1ccc2ccc(O)c(CN3CCN([C@H](C)C(F)(F)F)CC3)c2c1 ZINC000176069380 933408444 /nfs/dbraw/zinc/40/84/44/933408444.db2.gz BILRMVJYRRQQTK-CYBMUJFWSA-N 0 1 368.399 3.622 20 10 FHCDMN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)n[nH]1 ZINC000158512506 935611855 /nfs/dbraw/zinc/61/18/55/935611855.db2.gz JQVSRWQPQIFYOV-HNNXBMFYSA-N 0 1 370.497 3.899 20 10 FHCDMN COc1ccccc1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151530321 940000791 /nfs/dbraw/zinc/00/07/91/940000791.db2.gz BOENQQMEWCXVEU-HNNXBMFYSA-N 0 1 358.457 3.646 20 10 FHCDMN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793685 940025503 /nfs/dbraw/zinc/02/55/03/940025503.db2.gz QMMATKAQOHPQDA-MZPVMMEZSA-N 0 1 373.324 3.727 20 10 FHCDMN COC[C@H](NCc1cc(Br)cc(OC)c1O)c1ccc(C)o1 ZINC000177567047 940287499 /nfs/dbraw/zinc/28/74/99/940287499.db2.gz YKEUVYMNCHYMHV-ZDUSSCGKSA-N 0 1 370.243 3.542 20 10 FHCDMN CSCC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000164225857 945317093 /nfs/dbraw/zinc/31/70/93/945317093.db2.gz CTMOQJCJKFEXIV-MAUKXSAKSA-N 0 1 369.538 3.940 20 10 FHCDMN CSCC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000164225759 945318264 /nfs/dbraw/zinc/31/82/64/945318264.db2.gz CTMOQJCJKFEXIV-QAPCUYQASA-N 0 1 369.538 3.940 20 10 FHCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000066700822 941224604 /nfs/dbraw/zinc/22/46/04/941224604.db2.gz BCWPHKSBXSQDIG-IBGZPJMESA-N 0 1 373.472 3.756 20 10 FHCDMN COc1ccc(O)c([C@@H](C)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000376893844 941460938 /nfs/dbraw/zinc/46/09/38/941460938.db2.gz QPDMKVGWGPONLR-FZKQIMNGSA-N 0 1 368.437 3.894 20 10 FHCDMN CCOc1cccc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280184528 942127686 /nfs/dbraw/zinc/12/76/86/942127686.db2.gz GZKICENFRSMOIC-CQSZACIVSA-N 0 1 371.355 3.513 20 10 FHCDMN C[N@@H+](Cc1cc(F)ccc1O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179983727 942309730 /nfs/dbraw/zinc/30/97/30/942309730.db2.gz GJMSTVXCDMPLDW-SJPCQFCGSA-N 0 1 364.461 3.894 20 10 FHCDMN CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000228334887 942714857 /nfs/dbraw/zinc/71/48/57/942714857.db2.gz GZQWMCZYELVZNB-CYBMUJFWSA-N 0 1 357.292 3.500 20 10 FHCDMN Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])[C@H](C)C2)s1 ZINC000363858840 942865906 /nfs/dbraw/zinc/86/59/06/942865906.db2.gz RGAVZVMJQUWWEY-VFVRVIDISA-N 0 1 363.502 3.857 20 10 FHCDMN Cc1ccc([C@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c(O)c1C ZINC000273377112 942944192 /nfs/dbraw/zinc/94/41/92/942944192.db2.gz HNXWNWDBLSNIQK-LBPRGKRZSA-N 0 1 364.371 3.921 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC2CC2)C1 ZINC000435875110 943828086 /nfs/dbraw/zinc/82/80/86/943828086.db2.gz BHIDVQBMOLCICE-INIZCTEOSA-N 0 1 353.510 3.713 20 10 FHCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1[O-] ZINC000759783378 944211659 /nfs/dbraw/zinc/21/16/59/944211659.db2.gz KWSIAGOWWIDZQJ-UHFFFAOYSA-N 0 1 355.409 3.755 20 10 FHCDMN CC[C@H]([NH2+]Cc1cnccc1OC)c1cc(Br)ccc1[O-] ZINC000294389051 945062268 /nfs/dbraw/zinc/06/22/68/945062268.db2.gz RWQGVOAMYPOOLA-AWEZNQCLSA-N 0 1 351.244 3.799 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(C)(C)C2)C1 ZINC000444244749 946120779 /nfs/dbraw/zinc/12/07/79/946120779.db2.gz JOZOHGGZXBBWHP-UHFFFAOYSA-N 0 1 353.510 3.666 20 10 FHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H]2C)C1 ZINC000444258416 946141641 /nfs/dbraw/zinc/14/16/41/946141641.db2.gz HCOYYNGKNPTUBJ-DLBZAZTESA-N 0 1 353.510 3.665 20 10 FHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)ccc3C)cc2F)CC1 ZINC000303249069 946529848 /nfs/dbraw/zinc/52/98/48/946529848.db2.gz AFPQIOPMJLXWKE-UHFFFAOYSA-N 0 1 369.484 3.514 20 10 FHCDMN COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000165171341 947701140 /nfs/dbraw/zinc/70/11/40/947701140.db2.gz WGAZUOSWOIRPBV-AWEZNQCLSA-N 0 1 362.420 3.661 20 10 FHCDMN Fc1cc(CNCc2nccc3ccccc32)ccc1N1CCOCC1 ZINC000066990308 948576834 /nfs/dbraw/zinc/57/68/34/948576834.db2.gz YGPXOZWQNDTZMY-UHFFFAOYSA-N 0 1 351.425 3.500 20 10 FHCDMN Cc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c2ccccc2n1 ZINC000738381708 600208416 /nfs/dbraw/zinc/20/84/16/600208416.db2.gz CVQHCZWIEBKFAL-UHFFFAOYSA-N 0 1 370.836 3.989 20 10 FHCDMN Cc1[nH]c(C(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)c(C)c1C(=O)[O-] ZINC000738154451 600317993 /nfs/dbraw/zinc/31/79/93/600317993.db2.gz UHJFZWBHVJUHJC-UHFFFAOYSA-N 0 1 370.449 3.663 20 10 FHCDMN CCc1cc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000737250636 600704773 /nfs/dbraw/zinc/70/47/73/600704773.db2.gz JUKGKXWTHRDONU-OAHLLOKOSA-N 0 1 351.512 3.644 20 10 FHCDMN