smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([C@@H]1C[C@H](N2CCN(c3ccnc4cc(Cl)ccc43)CC2)C[NH2+]1)N1CCSC1 ZINC000084690171 563176325 /nfs/dbraw/zinc/17/63/25/563176325.db2.gz LMJHTBIYAYWJKI-LPHOPBHVSA-N 1 0 431.993 2.274 20 0 IEADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001164401908 718850290 /nfs/dbraw/zinc/85/02/90/718850290.db2.gz DKJBAQSYVSQEJQ-AUUYWEPGSA-N 1 0 438.862 2.050 20 0 IEADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H]5C[NH2+]C[C@]5(CO)C4)c32)C1 ZINC001164402580 718853314 /nfs/dbraw/zinc/85/33/14/718853314.db2.gz GJNJJUAWEILVRJ-CKNGIIGNSA-N 1 0 427.618 2.430 20 0 IEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164432029 718970595 /nfs/dbraw/zinc/97/05/95/718970595.db2.gz DUMGRIDJAUXIKP-ZIAGYGMSSA-N 1 0 428.789 2.384 20 0 IEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164432027 718970748 /nfs/dbraw/zinc/97/07/48/718970748.db2.gz DUMGRIDJAUXIKP-KGLIPLIRSA-N 1 0 428.789 2.384 20 0 IEADRO Cc1ncc2n1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C2 ZINC001164440074 718991031 /nfs/dbraw/zinc/99/10/31/718991031.db2.gz INSNDIUXUVLYAY-QGZVFWFLSA-N 1 0 426.565 2.406 20 0 IEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164632104 719137358 /nfs/dbraw/zinc/13/73/58/719137358.db2.gz OYIQNSITHJXXMZ-CQSZACIVSA-N 1 0 428.823 2.085 20 0 IEADRO CN(C)C(=O)CN1CC[C@@]2(CN(c3cc(C[NH+](C)C)ccn3)C[C@@H]2c2ccccc2)C1=O ZINC001164635257 719144196 /nfs/dbraw/zinc/14/41/96/719144196.db2.gz WRLODALXVQUDTC-BWKNWUBXSA-N 1 0 435.572 2.054 20 0 IEADRO CN1CCN(c2nccc(N(c3cccc(F)c3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)CC1 ZINC001164652347 719297281 /nfs/dbraw/zinc/29/72/81/719297281.db2.gz MWKHPXMDMIMZRN-NZQKXSOJSA-N 1 0 426.540 2.417 20 0 IEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@H]21 ZINC001164653488 719320874 /nfs/dbraw/zinc/32/08/74/719320874.db2.gz NCHMGZWSXZBNAG-DUXKGJEZSA-N 1 0 425.533 2.388 20 0 IEADRO CC(C)N(C)Cc1nn(-c2nc3ccsc3c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164683369 719610666 /nfs/dbraw/zinc/61/06/66/719610666.db2.gz IJYCANSZWSNVEU-UHFFFAOYSA-N 1 0 427.578 2.200 20 0 IEADRO CC(C)N(C)Cc1nn(-c2c(Cl)nc(N3CCOCC3)nc2Cl)c2c1CC[NH2+]C2 ZINC001164682120 719626659 /nfs/dbraw/zinc/62/66/59/719626659.db2.gz LTTSBQQIJOVEOW-UHFFFAOYSA-N 1 0 440.379 2.292 20 0 IEADRO COC(=O)c1cc2c(nc(Cl)nc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1C ZINC001164680154 719635348 /nfs/dbraw/zinc/63/53/48/719635348.db2.gz QHUPIKRUAIJVKO-UHFFFAOYSA-N 1 0 431.928 2.080 20 0 IEADRO CCC(CC)NS(=O)(=O)c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679427 719640753 /nfs/dbraw/zinc/64/07/53/719640753.db2.gz AGOVMZOEOZCVDW-UHFFFAOYSA-N 1 0 434.610 2.220 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CC2 ZINC001164684553 719717626 /nfs/dbraw/zinc/71/76/26/719717626.db2.gz IEPYCWJZBAWSQY-INIZCTEOSA-N 1 0 447.971 2.360 20 0 IEADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164684344 719718895 /nfs/dbraw/zinc/71/88/95/719718895.db2.gz GKPMETRHSJJVKB-UHFFFAOYSA-N 1 0 441.985 2.209 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164689530 719736614 /nfs/dbraw/zinc/73/66/14/719736614.db2.gz GMRMTVOBNPOUDR-UHFFFAOYSA-N 1 0 443.552 2.486 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164689317 719746745 /nfs/dbraw/zinc/74/67/45/719746745.db2.gz APXCPIIFKJNKBR-UHFFFAOYSA-N 1 0 437.544 2.486 20 0 IEADRO O=S(=O)(NC1CC1)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164706769 719898941 /nfs/dbraw/zinc/89/89/41/719898941.db2.gz KHPNBZDVSOGGKG-UHFFFAOYSA-N 1 0 448.614 2.455 20 0 IEADRO c1cnn(C[C@H]2CC[C@]3(COCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)O2)c1 ZINC001164809175 720049679 /nfs/dbraw/zinc/04/96/79/720049679.db2.gz ZDQOUHJHGUGJBI-OFNKIYASSA-N 1 0 427.549 2.207 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164711557 720097713 /nfs/dbraw/zinc/09/77/13/720097713.db2.gz QSCYRIYFYKHQGP-NRFANRHFSA-N 1 0 438.576 2.216 20 0 IEADRO COCCOc1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164711782 720144883 /nfs/dbraw/zinc/14/48/83/720144883.db2.gz KEUCIXJNCWWBJR-HXUWFJFHSA-N 1 0 427.549 2.404 20 0 IEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164715077 720155886 /nfs/dbraw/zinc/15/58/86/720155886.db2.gz SKTUHUNCUWJWQV-QGZVFWFLSA-N 1 0 440.573 2.423 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(N3CCCCCC3)n1)C2 ZINC001164813034 720162290 /nfs/dbraw/zinc/16/22/90/720162290.db2.gz BYVDLRSNPBYNOC-CVDCTZTESA-N 1 0 430.597 2.445 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)C2 ZINC001164812973 720163046 /nfs/dbraw/zinc/16/30/46/720163046.db2.gz BCHVPIKTEXDQMD-GBXCKJPGSA-N 1 0 441.624 2.257 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)C2 ZINC001164815064 720169740 /nfs/dbraw/zinc/16/97/40/720169740.db2.gz HRIKFPJORYMTHJ-UGKGYDQZSA-N 1 0 434.606 2.051 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1nccc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164711325 720170993 /nfs/dbraw/zinc/17/09/93/720170993.db2.gz AZEHJGBKMQUJDU-AWEZNQCLSA-N 1 0 427.887 2.020 20 0 IEADRO CCOC(=O)N1CCc2nnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)cc2C1 ZINC001164815034 720171541 /nfs/dbraw/zinc/17/15/41/720171541.db2.gz HCQHNGCVTOSBKC-CVDCTZTESA-N 1 0 429.565 2.176 20 0 IEADRO Cc1nc(Cl)cc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164714003 720172869 /nfs/dbraw/zinc/17/28/69/720172869.db2.gz NHHQJTMDXTZYIA-HNNXBMFYSA-N 1 0 441.914 2.328 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1SCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716585 720176372 /nfs/dbraw/zinc/17/63/72/720176372.db2.gz ICQKZJBJICXGGM-OAHLLOKOSA-N 1 0 435.985 2.123 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cnnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719893 720182687 /nfs/dbraw/zinc/18/26/87/720182687.db2.gz YEVKBXDEIRTELQ-OAHLLOKOSA-N 1 0 427.887 2.020 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3ncsc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718334 720183042 /nfs/dbraw/zinc/18/30/42/720183042.db2.gz OQWXUGNVPHPWSO-ZDUSSCGKSA-N 1 0 434.957 2.084 20 0 IEADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)c1 ZINC001164719131 720183395 /nfs/dbraw/zinc/18/33/95/720183395.db2.gz SJUFZUCHQJICOQ-GOSISDBHSA-N 1 0 448.955 2.256 20 0 IEADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)c1 ZINC001164719133 720184115 /nfs/dbraw/zinc/18/41/15/720184115.db2.gz SJUFZUCHQJICOQ-SFHVURJKSA-N 1 0 448.955 2.256 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)C2 ZINC001164814360 720184183 /nfs/dbraw/zinc/18/41/83/720184183.db2.gz FUUOKMYJEHYZDM-KNQAVFIVSA-N 1 0 434.606 2.051 20 0 IEADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc(C)c2c1 ZINC001164716587 720187258 /nfs/dbraw/zinc/18/72/58/720187258.db2.gz ICYFWBKIOKBHFX-OAQYLSRUSA-N 1 0 437.548 2.292 20 0 IEADRO CCOC(=O)c1c(C)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1C ZINC001164716590 720187390 /nfs/dbraw/zinc/18/73/90/720187390.db2.gz IKVZCCPOIHAKSO-IBGZPJMESA-N 1 0 442.564 2.220 20 0 IEADRO COc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164713460 720195895 /nfs/dbraw/zinc/19/58/95/720195895.db2.gz CMJRQNIFVVXAKW-JOCHJYFZSA-N 1 0 449.559 2.497 20 0 IEADRO CC1CCN(c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)CC1 ZINC001164716237 720198036 /nfs/dbraw/zinc/19/80/36/720198036.db2.gz PPERILWYPSHCDA-FQEVSTJZSA-N 1 0 440.596 2.058 20 0 IEADRO Cn1nnc2c1CCN(c1ccc(COC3CCC3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717661 720202660 /nfs/dbraw/zinc/20/26/60/720202660.db2.gz VVWLNJVDNXVKIG-NRFANRHFSA-N 1 0 426.565 2.495 20 0 IEADRO COC(=O)c1cc(Cl)c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1C ZINC001164716867 720203542 /nfs/dbraw/zinc/20/35/42/720203542.db2.gz GDCQRBIETMHWAQ-SFHVURJKSA-N 1 0 448.955 2.175 20 0 IEADRO Cn1nnc2c1CCN(c1nc3c(nc1Cl)CCCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720374 720206001 /nfs/dbraw/zinc/20/60/01/720206001.db2.gz ZPAZHHIAVHZTPO-GOSISDBHSA-N 1 0 431.972 2.354 20 0 IEADRO COc1cc(C)c2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164716142 720206827 /nfs/dbraw/zinc/20/68/27/720206827.db2.gz ASKQCPCTZKGOQR-FQEVSTJZSA-N 1 0 437.548 2.292 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814668 720210242 /nfs/dbraw/zinc/21/02/42/720210242.db2.gz VYDFMLZLHNJSET-UHFFFAOYSA-N 1 0 434.928 2.114 20 0 IEADRO CCOc1ccc(C(=O)OC)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813564 720227583 /nfs/dbraw/zinc/22/75/83/720227583.db2.gz PIJIKVMSLSPJHA-UHFFFAOYSA-N 1 0 429.521 2.074 20 0 IEADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164816704 720244917 /nfs/dbraw/zinc/24/49/17/720244917.db2.gz LPQLEQPIHLJMFU-CQSZACIVSA-N 1 0 448.955 2.214 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CCC2 ZINC001164817140 720245066 /nfs/dbraw/zinc/24/50/66/720245066.db2.gz PICIESCZNCLUSI-INIZCTEOSA-N 1 0 448.955 2.105 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2C(=O)N2CCCC2)CC1 ZINC001164820186 720287550 /nfs/dbraw/zinc/28/75/50/720287550.db2.gz VANPYLIICXMPOL-LEWJYISDSA-N 1 0 425.577 2.229 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CCCC2)CC1 ZINC001164820191 720287764 /nfs/dbraw/zinc/28/77/64/720287764.db2.gz VANPYLIICXMPOL-RTWAWAEBSA-N 1 0 425.577 2.229 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820104 720290744 /nfs/dbraw/zinc/29/07/44/720290744.db2.gz GSXYUNAFRLLRHW-IAGOWNOFSA-N 1 0 435.956 2.218 20 0 IEADRO COC(=O)c1ccc2cnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164828279 720300597 /nfs/dbraw/zinc/30/05/97/720300597.db2.gz ZSVFQVIJWVUHIN-RTWAWAEBSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1ccc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164819197 720301403 /nfs/dbraw/zinc/30/14/03/720301403.db2.gz CWTCYWPCUIQOEC-SFTDATJTSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc12 ZINC001164828310 720308771 /nfs/dbraw/zinc/30/87/71/720308771.db2.gz ZXSNTUGXCANDOG-RBUKOAKNSA-N 1 0 425.533 2.261 20 0 IEADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818655 720314481 /nfs/dbraw/zinc/31/44/81/720314481.db2.gz AYMLCODPSYPVNQ-JKSUJKDBSA-N 1 0 435.956 2.218 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828895 720320054 /nfs/dbraw/zinc/32/00/54/720320054.db2.gz KGAGHPXLYMGFIB-QZTJIDSGSA-N 1 0 449.983 2.147 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828899 720320400 /nfs/dbraw/zinc/32/04/00/720320400.db2.gz KGAGHPXLYMGFIB-ZWKOTPCHSA-N 1 0 449.983 2.147 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)c(F)c3c2C(=O)NC3)CC1 ZINC001164826381 720323154 /nfs/dbraw/zinc/32/31/54/720323154.db2.gz GJEXCOZIASVFSD-LSDHHAIUSA-N 1 0 435.931 2.029 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(OC)c1 ZINC001164829011 720326353 /nfs/dbraw/zinc/32/63/53/720326353.db2.gz LFKKVGYPFNPWBW-RTBURBONSA-N 1 0 430.549 2.178 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC001164834185 720329571 /nfs/dbraw/zinc/32/95/71/720329571.db2.gz YQNVMIOPQAXZPM-NHCUHLMSSA-N 1 0 425.577 2.229 20 0 IEADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823268 720334056 /nfs/dbraw/zinc/33/40/56/720334056.db2.gz AEPOPBXILIITIV-HZPDHXFCSA-N 1 0 435.956 2.218 20 0 IEADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823527 720354704 /nfs/dbraw/zinc/35/47/04/720354704.db2.gz GSNVMHBFNXJOHL-HYVNUMGLSA-N 1 0 449.983 2.318 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H](CC(=O)N5CCCCC5)OC[C@@H]4C3)n2)CC1 ZINC001164835700 720501341 /nfs/dbraw/zinc/50/13/41/720501341.db2.gz ZWGCNMQBMDBTEX-PWRODBHTSA-N 1 0 427.593 2.077 20 0 IEADRO COC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C(=O)OC ZINC001164835274 720515333 /nfs/dbraw/zinc/51/53/33/720515333.db2.gz JLOYOTXYDSHLPJ-ZIFCJYIRSA-N 1 0 441.532 2.229 20 0 IEADRO CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(N2CCOCC2)n1 ZINC001164840776 720570325 /nfs/dbraw/zinc/57/03/25/720570325.db2.gz STKLNVOMSQVKFH-BAGYTPMASA-N 1 0 439.608 2.450 20 0 IEADRO COc1nc(N2CCCCCC2)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736357 720582187 /nfs/dbraw/zinc/58/21/87/720582187.db2.gz KIDRLYDWFZAILY-UHFFFAOYSA-N 1 0 426.569 2.116 20 0 IEADRO CNS(=O)(=O)c1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841961 720701668 /nfs/dbraw/zinc/70/16/68/720701668.db2.gz KNTYAPJQJNFLAN-IBGZPJMESA-N 1 0 430.574 2.250 20 0 IEADRO COc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC ZINC001164742581 720704159 /nfs/dbraw/zinc/70/41/59/720704159.db2.gz 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LWIDTGCSIVPVOF-RUZDIDTESA-N 1 0 443.555 2.364 20 0 IEADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001165039499 721902440 /nfs/dbraw/zinc/90/24/40/721902440.db2.gz YDAUUKSVQOLZIP-SFHVURJKSA-N 1 0 441.557 2.278 20 0 IEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(S(N)(=O)=O)cc4F)CC3)C2)cc1 ZINC001164943986 721933887 /nfs/dbraw/zinc/93/38/87/721933887.db2.gz QMGMIVCRXZSOSM-UHFFFAOYSA-N 1 0 434.537 2.048 20 0 IEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044667 721957037 /nfs/dbraw/zinc/95/70/37/721957037.db2.gz MYVQOVGBWURBRF-UHFFFAOYSA-N 1 0 444.923 2.244 20 0 IEADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164945598 721981641 /nfs/dbraw/zinc/98/16/41/721981641.db2.gz BAQZAQVJANRYPJ-UHFFFAOYSA-N 1 0 449.599 2.431 20 0 IEADRO O=C(N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164951871 722001121 /nfs/dbraw/zinc/00/11/21/722001121.db2.gz OHTHFEIYUGQPFJ-BLIXFSHQSA-N 1 0 443.573 2.179 20 0 IEADRO Cc1ccc(N(c2nc(Cl)nc3c2CN(C)CC3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164957985 722025750 /nfs/dbraw/zinc/02/57/50/722025750.db2.gz CULLTUGCNVOAOC-QVKFZJNVSA-N 1 0 429.956 2.266 20 0 IEADRO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962291 722056998 /nfs/dbraw/zinc/05/69/98/722056998.db2.gz CSIMAXDFAAJWGH-UHFFFAOYSA-N 1 0 431.924 2.431 20 0 IEADRO Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3C2=O)cn1 ZINC001164979411 722096457 /nfs/dbraw/zinc/09/64/57/722096457.db2.gz KCZUJDXNDDEIGU-KBXCAEBGSA-N 1 0 448.905 2.489 20 0 IEADRO Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3C2=O)cn1 ZINC001164979417 722096544 /nfs/dbraw/zinc/09/65/44/722096544.db2.gz KCZUJDXNDDEIGU-KSSFIOAISA-N 1 0 448.905 2.489 20 0 IEADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981768 722106766 /nfs/dbraw/zinc/10/67/66/722106766.db2.gz MGLIOXHAFIZIRK-MJGOQNOKSA-N 1 0 436.516 2.257 20 0 IEADRO 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Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977112 722157388 /nfs/dbraw/zinc/15/73/88/722157388.db2.gz XAUVNZJSKSVWQZ-QRVBRYPASA-N 1 0 445.951 2.420 20 0 IEADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975383 722157791 /nfs/dbraw/zinc/15/77/91/722157791.db2.gz SSVGNMSCHDCPPN-IEBWSBKVSA-N 1 0 444.967 2.392 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[C@@H]32)cs1 ZINC001164984878 722177408 /nfs/dbraw/zinc/17/74/08/722177408.db2.gz GQUUPCMRIRXALK-ROUUACIJSA-N 1 0 434.997 2.410 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)n4)CC[C@H]32)cs1 ZINC001164988564 722183922 /nfs/dbraw/zinc/18/39/22/722183922.db2.gz KLWHCRCCFQKMIO-NHCUHLMSSA-N 1 0 442.633 2.468 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]32)cs1 ZINC001164987401 722184331 /nfs/dbraw/zinc/18/43/31/722184331.db2.gz HQROLNJHVDESTR-NHCUHLMSSA-N 1 0 428.606 2.126 20 0 IEADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc4c(c(N5CCOCC5)n2)CNC4)C3)c1 ZINC001164996227 722206553 /nfs/dbraw/zinc/20/65/53/722206553.db2.gz RWTZYOVIEAPSDN-XMMPIXPASA-N 1 0 438.551 2.300 20 0 IEADRO COCCO[C@@H]1CCN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]1Cc1cnn(C)c1 ZINC001165000530 722224340 /nfs/dbraw/zinc/22/43/40/722224340.db2.gz TWDXLMKLECMBSW-NHCUHLMSSA-N 1 0 429.565 2.143 20 0 IEADRO CCOC(=O)c1cc2cccnc2nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001908 722253329 /nfs/dbraw/zinc/25/33/29/722253329.db2.gz IWIJGJSFNRISQF-UHFFFAOYSA-N 1 0 438.532 2.492 20 0 IEADRO CCOC(=O)c1ccc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165002687 722253618 /nfs/dbraw/zinc/25/36/18/722253618.db2.gz SSRKFLSLPWZBGS-UHFFFAOYSA-N 1 0 438.532 2.492 20 0 IEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)COc1cncc(Cl)n1)CCC2 ZINC001165004032 722256854 /nfs/dbraw/zinc/25/68/54/722256854.db2.gz LTFPQDRMSFTWJI-UHFFFAOYSA-N 1 0 430.887 2.282 20 0 IEADRO COc1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(Cl)n1 ZINC001165003972 722258237 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437.569 2.471 20 0 IEADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5C[NH2+]C[C@@]5(CO)C3)n2)CCC4)CC1 ZINC001164409216 718853105 /nfs/dbraw/zinc/85/31/05/718853105.db2.gz UQSINANEXZZSFI-HJPURHCSSA-N 1 0 427.618 2.430 20 0 IEADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[NH2+]C[C@]5(CO)C4)c32)C1 ZINC001164402583 718853650 /nfs/dbraw/zinc/85/36/50/718853650.db2.gz GJNJJUAWEILVRJ-VBURHUQHSA-N 1 0 427.618 2.430 20 0 IEADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415996 718885669 /nfs/dbraw/zinc/88/56/69/718885669.db2.gz PKUDCAGQNUYHAK-UHFFFAOYSA-N 1 0 432.866 2.427 20 0 IEADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416338 718885691 /nfs/dbraw/zinc/88/56/91/718885691.db2.gz VHYZCGUEHMRCJE-UHFFFAOYSA-N 1 0 427.843 2.062 20 0 IEADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425637 718915918 /nfs/dbraw/zinc/91/59/18/718915918.db2.gz UJOKJDIHYSYFMO-SFHVURJKSA-N 1 0 425.867 2.322 20 0 IEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)NC4CCCC4)nn3)CC2)CC1 ZINC001164617198 719033227 /nfs/dbraw/zinc/03/32/27/719033227.db2.gz JPYUWTQCNWZIPE-UHFFFAOYSA-N 1 0 429.565 2.393 20 0 IEADRO O=S(=O)(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCOCC1 ZINC001164630917 719088129 /nfs/dbraw/zinc/08/81/29/719088129.db2.gz XNXUVOPKPFVROS-LEWJYISDSA-N 1 0 442.585 2.203 20 0 IEADRO O=S(=O)(c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCOCC1 ZINC001164624261 719097375 /nfs/dbraw/zinc/09/73/75/719097375.db2.gz DWOZRQOHUZFUQN-IFMALSPDSA-N 1 0 442.585 2.203 20 0 IEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164632103 719137423 /nfs/dbraw/zinc/13/74/23/719137423.db2.gz OYIQNSITHJXXMZ-AWEZNQCLSA-N 1 0 428.823 2.085 20 0 IEADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2ccc(C[N@@H+](C)C4CC4)cn2)C3)nn1 ZINC001164642706 719266382 /nfs/dbraw/zinc/26/63/82/719266382.db2.gz YNESQTLZQILVPN-HYBUGGRVSA-N 1 0 438.576 2.498 20 0 IEADRO 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XMCAWQOLDCLRSI-GOSISDBHSA-N 1 0 448.955 2.256 20 0 IEADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccncc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164711806 720170954 /nfs/dbraw/zinc/17/09/54/720170954.db2.gz CFCOFKXNQOVQJO-KRWDZBQOSA-N 1 0 428.928 2.023 20 0 IEADRO Cn1nnc2c1CCN(c1ncnc3nc(Cl)ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164711378 720171811 /nfs/dbraw/zinc/17/18/11/720171811.db2.gz BJBSCXBUTFQWJH-INIZCTEOSA-N 1 0 428.928 2.023 20 0 IEADRO CSc1nc2c(c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)n1)CCCC2 ZINC001164717092 720179872 /nfs/dbraw/zinc/17/98/72/720179872.db2.gz KOOJCPGCHMKCAO-LJQANCHMSA-N 1 0 443.621 2.422 20 0 IEADRO Cc1nc2c(nc(Cl)nc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)s1 ZINC001164719553 720184710 /nfs/dbraw/zinc/18/47/10/720184710.db2.gz VVTCVXZATPMDTC-AWEZNQCLSA-N 1 0 448.984 2.393 20 0 IEADRO CCOC(=O)/C=C/c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164713808 720189503 /nfs/dbraw/zinc/18/95/03/720189503.db2.gz DVLNXBKHGYRXCB-JCOOBLOPSA-N 1 0 440.548 2.003 20 0 IEADRO CSc1nc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2s1 ZINC001164717735 720190294 /nfs/dbraw/zinc/19/02/94/720190294.db2.gz WQDKCJDMVIESRM-AWEZNQCLSA-N 1 0 446.606 2.153 20 0 IEADRO C=Cc1nc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1OC ZINC001164716651 720195407 /nfs/dbraw/zinc/19/54/07/720195407.db2.gz QVSHKCGRMATVMU-MRXNPFEDSA-N 1 0 433.944 2.126 20 0 IEADRO COc1ccccc1-c1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164714652 720198910 /nfs/dbraw/zinc/19/89/10/720198910.db2.gz HMWYQXHWNCKHFN-NRFANRHFSA-N 1 0 449.559 2.497 20 0 IEADRO Cn1nnc2c1CCN(c1nc3c(nc1Cl)CCCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164720375 720206291 /nfs/dbraw/zinc/20/62/91/720206291.db2.gz ZPAZHHIAVHZTPO-SFHVURJKSA-N 1 0 431.972 2.354 20 0 IEADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814030 720223808 /nfs/dbraw/zinc/22/38/08/720223808.db2.gz RHQHARYFJOZSJV-UHFFFAOYSA-N 1 0 440.548 2.338 20 0 IEADRO COC(=O)/C=C/c1cc(C)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812148 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VZLKNTBRAYYFRS-LJQANCHMSA-N 1 0 435.572 2.274 20 0 IEADRO c1ccc(OCc2nnc3n2CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)nc1 ZINC001164682752 719685692 /nfs/dbraw/zinc/68/56/92/719685692.db2.gz DBFQRNFPXNIONY-UHFFFAOYSA-N 1 0 435.532 2.184 20 0 IEADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1Cl ZINC001164685202 719701170 /nfs/dbraw/zinc/70/11/70/719701170.db2.gz RZMFGFHLMGZSJA-UHFFFAOYSA-N 1 0 445.898 2.032 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)CC2 ZINC001164689550 719751265 /nfs/dbraw/zinc/75/12/65/719751265.db2.gz HNVKQILVJHVRRD-UHFFFAOYSA-N 1 0 438.576 2.302 20 0 IEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)nc1)C1CC1 ZINC001164702656 719820013 /nfs/dbraw/zinc/82/00/13/719820013.db2.gz SSAMHDVQHYGLNL-WTIAFYNJSA-N 1 0 435.572 2.414 20 0 IEADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)nc1 ZINC001164695123 719829215 /nfs/dbraw/zinc/82/92/15/719829215.db2.gz BREOLOFMTLPVHV-FPOVZHCZSA-N 1 0 426.565 2.224 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1C(=O)OCC ZINC001164814817 720092362 /nfs/dbraw/zinc/09/23/62/720092362.db2.gz WXLXBDGKDXVDPL-GAJHUEQPSA-N 1 0 446.548 2.015 20 0 IEADRO CCOC(=O)Cc1cnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164719139 720123786 /nfs/dbraw/zinc/12/37/86/720123786.db2.gz WOJXOZFZQGEDQH-NRFANRHFSA-N 1 0 439.560 2.485 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCC(C(=O)OC)CC3)nn1)C2 ZINC001164809708 720138152 /nfs/dbraw/zinc/13/81/52/720138152.db2.gz IJGRABWWTNJSIP-YKSBVNFPSA-N 1 0 443.592 2.051 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccnc1N1CCC(C(=O)OC)CC1)C2 ZINC001164809679 720142085 /nfs/dbraw/zinc/14/20/85/720142085.db2.gz IBYJTQRDKYIWEZ-RDPSFJRHSA-N 1 0 443.592 2.051 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1S(=O)(=O)N1CCCC1)C2 ZINC001164815895 720143504 /nfs/dbraw/zinc/14/35/04/720143504.db2.gz XCWBADXMDCEQPL-SIKLNZKXSA-N 1 0 434.606 2.051 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164713826 720158297 /nfs/dbraw/zinc/15/82/97/720158297.db2.gz LXJPNERJZWFCKC-IBGZPJMESA-N 1 0 436.560 2.355 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)nc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714128 720172925 /nfs/dbraw/zinc/17/29/25/720172925.db2.gz OTDFCXAACMGCLD-HNNXBMFYSA-N 1 0 427.887 2.020 20 0 IEADRO Cc1nc2ccc(F)cc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164720003 720174311 /nfs/dbraw/zinc/17/43/11/720174311.db2.gz ZJDSRTXLQWITJI-HXUWFJFHSA-N 1 0 425.512 2.422 20 0 IEADRO Cc1c[nH]c2nc(Cl)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164717020 720174959 /nfs/dbraw/zinc/17/49/59/720174959.db2.gz JEKXISPEHKIHAB-HNNXBMFYSA-N 1 0 430.944 2.264 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1COC3(C)C)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719617 720175368 /nfs/dbraw/zinc/17/53/68/720175368.db2.gz WQRHNBXAPAKOLS-MRXNPFEDSA-N 1 0 447.971 2.240 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)cc1N)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719588 720183549 /nfs/dbraw/zinc/18/35/49/720183549.db2.gz WMKOWBOKUJFKFU-MRXNPFEDSA-N 1 0 441.914 2.207 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)C2 ZINC001164814364 720183689 /nfs/dbraw/zinc/18/36/89/720183689.db2.gz FUUOKMYJEHYZDM-UGKGYDQZSA-N 1 0 434.606 2.051 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)C2 ZINC001164814358 720184195 /nfs/dbraw/zinc/18/41/95/720184195.db2.gz FUUOKMYJEHYZDM-DENIHFKCSA-N 1 0 434.606 2.051 20 0 IEADRO Cn1nnc2c1CCN(c1nccc(-c3cccnc3F)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717724 720190930 /nfs/dbraw/zinc/19/09/30/720190930.db2.gz WNUQTJHJJHEGSW-IBGZPJMESA-N 1 0 438.511 2.022 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cncc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713839 720191198 /nfs/dbraw/zinc/19/11/98/720191198.db2.gz FCWCWXCEQOIUDD-AWEZNQCLSA-N 1 0 427.887 2.020 20 0 IEADRO Cn1nnc2c1CCN(c1cncc(OCC3CCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720024 720204799 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LABJHZDVGVHSGE-OALUTQOASA-N 1 0 426.590 2.368 20 0 IEADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164721549 720290984 /nfs/dbraw/zinc/29/09/84/720290984.db2.gz KZPWRIVFPRFHPN-VWLOTQADSA-N 1 0 437.588 2.500 20 0 IEADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164819191 720301055 /nfs/dbraw/zinc/30/10/55/720301055.db2.gz CWTCYWPCUIQOEC-NHCUHLMSSA-N 1 0 437.544 2.328 20 0 IEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827848 720313983 /nfs/dbraw/zinc/31/39/83/720313983.db2.gz YIMLXIICJCAGGK-DLBZAZTESA-N 1 0 449.983 2.147 20 0 IEADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824665 720324009 /nfs/dbraw/zinc/32/40/09/720324009.db2.gz CPGFLKYGGCXIDO-RTBURBONSA-N 1 0 430.549 2.178 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC001164834183 720329314 /nfs/dbraw/zinc/32/93/14/720329314.db2.gz YQNVMIOPQAXZPM-LEWJYISDSA-N 1 0 425.577 2.229 20 0 IEADRO COC(=O)c1cc2c[nH]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc-2n1 ZINC001164823333 720332438 /nfs/dbraw/zinc/33/24/38/720332438.db2.gz AQONWKSZYLDPGU-PMACEKPBSA-N 1 0 425.533 2.261 20 0 IEADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825881 720356002 /nfs/dbraw/zinc/35/60/02/720356002.db2.gz JVADOEXQWXIVJK-ROUUACIJSA-N 1 0 448.999 2.181 20 0 IEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc(S(C)(=O)=O)n3)CC[C@@H]21 ZINC001164840053 720506007 /nfs/dbraw/zinc/50/60/07/720506007.db2.gz WDTUXECWQZHVGF-PMPSAXMXSA-N 1 0 438.985 2.108 20 0 IEADRO CCOC(=O)c1cnc(C(F)(F)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1Cl ZINC001164732785 720506680 /nfs/dbraw/zinc/50/66/80/720506680.db2.gz XKFVDUZJNOKDKD-GFCCVEGCSA-N 1 0 428.871 2.246 20 0 IEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2c(Cl)nc(N3CCOCC3)nc2Cl)C1 ZINC001164730097 720517687 /nfs/dbraw/zinc/51/76/87/720517687.db2.gz RAEJMYQHVCGKAH-ZDUSSCGKSA-N 1 0 426.352 2.015 20 0 IEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)C1 ZINC001164728773 720518713 /nfs/dbraw/zinc/51/87/13/720518713.db2.gz LICLCCUKYMDMTB-GOSISDBHSA-N 1 0 433.564 2.318 20 0 IEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC001164734853 720521688 /nfs/dbraw/zinc/52/16/88/720521688.db2.gz SCFVYAOQNJXWHB-INIZCTEOSA-N 1 0 442.545 2.067 20 0 IEADRO CCS(=O)(=O)c1cc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cnc1Cl ZINC001164736058 720535898 /nfs/dbraw/zinc/53/58/98/720535898.db2.gz UWLMUJUGSHTYTO-ZDUSSCGKSA-N 1 0 447.939 2.468 20 0 IEADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)c3)cc21 ZINC001164729507 720563594 /nfs/dbraw/zinc/56/35/94/720563594.db2.gz PVHUIPRXZMXDGO-UHFFFAOYSA-N 1 0 431.544 2.218 20 0 IEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1C ZINC001164736315 720577764 /nfs/dbraw/zinc/57/77/64/720577764.db2.gz IBBAWHNFJPTQEY-UHFFFAOYSA-N 1 0 443.939 2.263 20 0 IEADRO 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CCOC(=O)c1cc(Cl)nnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164815316 720216538 /nfs/dbraw/zinc/21/65/38/720216538.db2.gz YXRCEXMYSSCKGV-UHFFFAOYSA-N 1 0 434.928 2.114 20 0 IEADRO COC(=O)c1cccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)ncc21 ZINC001164811997 720217055 /nfs/dbraw/zinc/21/70/55/720217055.db2.gz CILKBKNBIPZLFM-UHFFFAOYSA-N 1 0 436.516 2.224 20 0 IEADRO COC(=O)CSc1cccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813863 720231762 /nfs/dbraw/zinc/23/17/62/720231762.db2.gz QOAHZKQXURAXSK-UHFFFAOYSA-N 1 0 431.562 2.154 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CCCC2)CC1 ZINC001164820193 720287112 /nfs/dbraw/zinc/28/71/12/720287112.db2.gz VANPYLIICXMPOL-SFTDATJTSA-N 1 0 425.577 2.229 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823136 720300236 /nfs/dbraw/zinc/30/02/36/720300236.db2.gz OSLZFMYSVMBPGO-NHCUHLMSSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1c[nH]c2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc12 ZINC001164828308 720308562 /nfs/dbraw/zinc/30/85/62/720308562.db2.gz ZXSNTUGXCANDOG-OALUTQOASA-N 1 0 425.533 2.261 20 0 IEADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc21 ZINC001164823893 720308582 /nfs/dbraw/zinc/30/85/82/720308582.db2.gz QPFSQEROCRRMSE-LEWJYISDSA-N 1 0 437.544 2.328 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(C(=O)OC(C)(C)C)n2)CC1 ZINC001164824667 720324690 /nfs/dbraw/zinc/32/46/90/720324690.db2.gz CROPASFZKXJHNM-MOPGFXCFSA-N 1 0 429.565 2.343 20 0 IEADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827862 720331676 /nfs/dbraw/zinc/33/16/76/720331676.db2.gz IYSKUAZCQCATEU-VPELESPFSA-N 1 0 426.561 2.488 20 0 IEADRO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc-2n1 ZINC001164823336 720332792 /nfs/dbraw/zinc/33/27/92/720332792.db2.gz AQONWKSZYLDPGU-WOJBJXKFSA-N 1 0 425.533 2.261 20 0 IEADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823269 720333848 /nfs/dbraw/zinc/33/38/48/720333848.db2.gz AEPOPBXILIITIV-JKSUJKDBSA-N 1 0 435.956 2.218 20 0 IEADRO CCOC(=O)c1cnc(CC)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825152 720348908 /nfs/dbraw/zinc/34/89/08/720348908.db2.gz IPELJOVKJUHVLH-OALUTQOASA-N 1 0 429.565 2.127 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)Oc2cnc(Cl)cn2)CC1 ZINC001164831710 720355162 /nfs/dbraw/zinc/35/51/62/720355162.db2.gz ZXZJMILPTVZPMY-CABCVRRESA-N 1 0 429.899 2.466 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1C(=O)OCC ZINC001164723196 720358036 /nfs/dbraw/zinc/35/80/36/720358036.db2.gz HOQVAZPVVKNDLV-MSOLQXFVSA-N 1 0 425.489 2.078 20 0 IEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725043 720401063 /nfs/dbraw/zinc/40/10/63/720401063.db2.gz LJQNKAFKWIZLGU-HOTGVXAUSA-N 1 0 441.923 2.291 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H](CC(=O)N5CCCCC5)OC[C@@H]4C3)n2)CC1 ZINC001164835697 720501407 /nfs/dbraw/zinc/50/14/07/720501407.db2.gz ZWGCNMQBMDBTEX-HBMCJLEFSA-N 1 0 427.593 2.077 20 0 IEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc(S(C)(=O)=O)n3)CC[C@@H]21 ZINC001164840051 720505710 /nfs/dbraw/zinc/50/57/10/720505710.db2.gz WDTUXECWQZHVGF-JYJNAYRXSA-N 1 0 438.985 2.108 20 0 IEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)C1 ZINC001164728161 720515314 /nfs/dbraw/zinc/51/53/14/720515314.db2.gz JHNBERQBAUGILE-MRXNPFEDSA-N 1 0 425.537 2.373 20 0 IEADRO COC(OC)c1c(CO)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840109 720580152 /nfs/dbraw/zinc/58/01/52/720580152.db2.gz PAIZPYHGHALARA-XUVXKRRUSA-N 1 0 429.565 2.440 20 0 IEADRO COC(=O)CSc1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164842228 720621661 /nfs/dbraw/zinc/62/16/61/720621661.db2.gz URXOAOYVIPBQDB-OKZBNKHCSA-N 1 0 430.578 2.316 20 0 IEADRO COCCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164840113 720637048 /nfs/dbraw/zinc/63/70/48/720637048.db2.gz PAQQWHGMWLKCHN-PCCBWWKXSA-N 1 0 427.549 2.459 20 0 IEADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839950 720649332 /nfs/dbraw/zinc/64/93/32/720649332.db2.gz LFOPSBQJZUONQZ-SOLBZPMBSA-N 1 0 431.972 2.454 20 0 IEADRO c1ccc(CN2CCc3c(ncnc3N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738502 720682547 /nfs/dbraw/zinc/68/25/47/720682547.db2.gz KDFMBGHGPOKSNA-NHCUHLMSSA-N 1 0 443.555 2.167 20 0 IEADRO CCOC(Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1)OCC ZINC001164737871 720697352 /nfs/dbraw/zinc/69/73/52/720697352.db2.gz HMPKNTCAWUDPFV-HOTGVXAUSA-N 1 0 448.955 2.204 20 0 IEADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736743 720699454 /nfs/dbraw/zinc/69/94/54/720699454.db2.gz AWRBFZCXBUDZBL-CABCVRRESA-N 1 0 440.891 2.202 20 0 IEADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164738976 720757461 /nfs/dbraw/zinc/75/74/61/720757461.db2.gz HEOLIUZVDQYITB-UXHICEINSA-N 1 0 442.523 2.416 20 0 IEADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164740664 720785833 /nfs/dbraw/zinc/78/58/33/720785833.db2.gz AAEQXNUOPXGQLK-CVEARBPZSA-N 1 0 435.484 2.162 20 0 IEADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164740670 720786117 /nfs/dbraw/zinc/78/61/17/720786117.db2.gz AAEQXNUOPXGQLK-HZPDHXFCSA-N 1 0 435.484 2.162 20 0 IEADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164751261 720807847 /nfs/dbraw/zinc/80/78/47/720807847.db2.gz XQKUKDLPDRSRLZ-IPMKNSEASA-N 1 0 426.569 2.276 20 0 IEADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164751259 720807883 /nfs/dbraw/zinc/80/78/83/720807883.db2.gz XQKUKDLPDRSRLZ-GBESFXJTSA-N 1 0 426.569 2.276 20 0 IEADRO O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCC1 ZINC001164744177 720809211 /nfs/dbraw/zinc/80/92/11/720809211.db2.gz HRHKKJKZAQSTDI-JAXLGGSGSA-N 1 0 435.576 2.289 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741850 720815525 /nfs/dbraw/zinc/81/55/25/720815525.db2.gz OPVGMVFNNUAFKG-NNMXDRDESA-N 1 0 447.543 2.387 20 0 IEADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164743827 720816097 /nfs/dbraw/zinc/81/60/97/720816097.db2.gz SPZCLTANDOHHKQ-RZUBCFFCSA-N 1 0 447.543 2.387 20 0 IEADRO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164745025 720817842 /nfs/dbraw/zinc/81/78/42/720817842.db2.gz VWWZFVFUXDCRKN-QWFCFKBJSA-N 1 0 425.537 2.013 20 0 IEADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737954 720828955 /nfs/dbraw/zinc/82/89/55/720828955.db2.gz CRRHSPMDSKJIJL-FUHIMQAGSA-N 1 0 428.512 2.287 20 0 IEADRO O=c1cc2[nH]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(Cl)cc-2[nH]1 ZINC001164737996 720830991 /nfs/dbraw/zinc/83/09/91/720830991.db2.gz DDVGGULOSFKVFR-YZVOILCLSA-N 1 0 427.940 2.201 20 0 IEADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)c2c1C ZINC001164850085 720832815 /nfs/dbraw/zinc/83/28/15/720832815.db2.gz SIWDZPJSGUSYKA-CVEARBPZSA-N 1 0 434.562 2.350 20 0 IEADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164750248 720834321 /nfs/dbraw/zinc/83/43/21/720834321.db2.gz WVLICXJOQLKTKO-WSTZPKSXSA-N 1 0 440.548 2.238 20 0 IEADRO Clc1ncnc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164741931 720838690 /nfs/dbraw/zinc/83/86/90/720838690.db2.gz GAVIQORHOZGUHG-HLLBOEOZSA-N 1 0 425.928 2.044 20 0 IEADRO O=C(c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1)N1CCCC1 ZINC001164747486 720838783 /nfs/dbraw/zinc/83/87/83/720838783.db2.gz QVTXGPOSRNBEDQ-FDFHNCONSA-N 1 0 435.576 2.289 20 0 IEADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(C(=O)OC)c(Cl)n3)CC[C@@H]2C1 ZINC001164851250 720844257 /nfs/dbraw/zinc/84/42/57/720844257.db2.gz GGKFEYUJZZNSNY-HIFRSBDPSA-N 1 0 433.883 2.240 20 0 IEADRO CN(C)C(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164742951 720849010 /nfs/dbraw/zinc/84/90/10/720849010.db2.gz HNMDWDHPDKNAQE-NLWGTHIKSA-N 1 0 443.983 2.408 20 0 IEADRO O=c1ccccn1Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164746546 720849581 /nfs/dbraw/zinc/84/95/81/720849581.db2.gz OLDFSMGHOHUZOR-DNVJHFABSA-N 1 0 445.571 2.263 20 0 IEADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164860240 720860507 /nfs/dbraw/zinc/86/05/07/720860507.db2.gz WCCJDHXZECJZFQ-OLZOCXBDSA-N 1 0 433.336 2.134 20 0 IEADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ncn4Cc3ccccc3F)CC[C@@H]2C1 ZINC001164859013 720862957 /nfs/dbraw/zinc/86/29/57/720862957.db2.gz UBLWACQNBUIGOU-QUCCMNQESA-N 1 0 440.523 2.187 20 0 IEADRO 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c1ncn(-c2cncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)n1 ZINC001164750924 720917817 /nfs/dbraw/zinc/91/78/17/720917817.db2.gz LCMSDODYJPQQGF-URXFXBBRSA-N 1 0 446.559 2.207 20 0 IEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccnc1C1SCCCS1)CC2 ZINC001164750728 720951371 /nfs/dbraw/zinc/95/13/71/720951371.db2.gz MYWWFLLFDHITNT-UHFFFAOYSA-N 1 0 434.591 2.187 20 0 IEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164749323 720958334 /nfs/dbraw/zinc/95/83/34/720958334.db2.gz CBLCVIKQHCIVTF-UHFFFAOYSA-N 1 0 429.855 2.044 20 0 IEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164749863 720961087 /nfs/dbraw/zinc/96/10/87/720961087.db2.gz HYEASRXCGUNNRP-UHFFFAOYSA-N 1 0 426.452 2.250 20 0 IEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164752519 720961723 /nfs/dbraw/zinc/96/17/23/720961723.db2.gz ZPJCBINKUHHVQK-UHFFFAOYSA-N 1 0 436.303 2.174 20 0 IEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164751468 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ZINC001179278325 1126152086 /nfs/dbraw/zinc/15/20/86/1126152086.db2.gz UQIIQRQKLMGYJW-DEOSSOPVSA-N 1 0 446.519 2.155 20 0 IEADRO CN1CCN(c2ncc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cn2)CC1 ZINC001461673117 1126196050 /nfs/dbraw/zinc/19/60/50/1126196050.db2.gz QSLROHHLULMXNA-FQEVSTJZSA-N 1 0 434.382 2.074 20 0 IEADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001560532338 1126211874 /nfs/dbraw/zinc/21/18/74/1126211874.db2.gz HTUHQSASYKFKAC-OAQYLSRUSA-N 1 0 449.393 2.337 20 0 IEADRO COc1ccc(-c2cc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)c(Cl)nn2)cc1 ZINC001164390593 718809940 /nfs/dbraw/zinc/80/99/40/718809940.db2.gz AJUCTJOULAQYHB-UHFFFAOYSA-N 1 0 437.878 2.409 20 0 IEADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCC(F)(C[NH3+])CC2)C1=O ZINC001164390934 718813378 /nfs/dbraw/zinc/81/33/78/718813378.db2.gz DZIWTEBEVVGVFR-LJQANCHMSA-N 1 0 428.915 2.284 20 0 IEADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCNC(=O)C23C[NH2+]C3)c2ccccc21 ZINC001164411741 718878468 /nfs/dbraw/zinc/87/84/68/718878468.db2.gz RWHVCYJUJODFPA-UHFFFAOYSA-N 1 0 432.862 2.112 20 0 IEADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCNC(=O)C45C[NH2+]C5)c32)C1 ZINC001164411274 718878876 /nfs/dbraw/zinc/87/88/76/718878876.db2.gz PBKFCFCWDDYCHW-OAHLLOKOSA-N 1 0 440.617 2.080 20 0 IEADRO Cc1sc2nc(CN3CCCC3)nc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423515 718916216 /nfs/dbraw/zinc/91/62/16/718916216.db2.gz HXYQTLQXVIOPAV-JOCHJYFZSA-N 1 0 431.606 2.489 20 0 IEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001164617372 719011435 /nfs/dbraw/zinc/01/14/35/719011435.db2.gz NSGVEPLIVAOPFS-VGSWGCGISA-N 1 0 433.984 2.267 20 0 IEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164619246 719013637 /nfs/dbraw/zinc/01/36/37/719013637.db2.gz UTJFYEBNPUUNGW-SNRMKQJTSA-N 1 0 427.936 2.376 20 0 IEADRO Cn1cnc2c1nc(N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)nc2N1CCOCC1 ZINC001164627221 719068691 /nfs/dbraw/zinc/06/86/91/719068691.db2.gz PWTQBUFVJHKTOT-VQTJNVASSA-N 1 0 433.560 2.301 20 0 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CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164684435 719705083 /nfs/dbraw/zinc/70/50/83/719705083.db2.gz PRSUVAHNTCNYLJ-UHFFFAOYSA-N 1 0 442.942 2.456 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)CC2 ZINC001164689618 719744390 /nfs/dbraw/zinc/74/43/90/719744390.db2.gz JLBIUKBFQOMTIW-UHFFFAOYSA-N 1 0 449.968 2.020 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164689541 719745779 /nfs/dbraw/zinc/74/57/79/719745779.db2.gz HBMAOJVYLOMJBX-GOSISDBHSA-N 1 0 435.878 2.116 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)CC2 ZINC001164689561 719746809 /nfs/dbraw/zinc/74/68/09/719746809.db2.gz HWHRZOYUODELDN-UHFFFAOYSA-N 1 0 425.533 2.342 20 0 IEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164711558 720099034 /nfs/dbraw/zinc/09/90/34/720099034.db2.gz QSCYRIYFYKHQGP-OAQYLSRUSA-N 1 0 438.576 2.216 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3ncccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716060 720171630 /nfs/dbraw/zinc/17/16/30/720171630.db2.gz XIUPBSDRDNQJJV-MRXNPFEDSA-N 1 0 428.928 2.023 20 0 IEADRO CCOC(=O)N1CCc2nnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)cc2C1 ZINC001164815036 720171874 /nfs/dbraw/zinc/17/18/74/720171874.db2.gz HCQHNGCVTOSBKC-XXBNENTESA-N 1 0 429.565 2.176 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)nc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714129 720172398 /nfs/dbraw/zinc/17/23/98/720172398.db2.gz OTDFCXAACMGCLD-OAHLLOKOSA-N 1 0 427.887 2.020 20 0 IEADRO CSc1nc2c(c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n1)CCCC2 ZINC001164717090 720180146 /nfs/dbraw/zinc/18/01/46/720180146.db2.gz KOOJCPGCHMKCAO-IBGZPJMESA-N 1 0 443.621 2.422 20 0 IEADRO CCCN(CCC)c1cncc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164717197 720190983 /nfs/dbraw/zinc/19/09/83/720190983.db2.gz USTAQPAHYIEWFB-HXUWFJFHSA-N 1 0 442.612 2.448 20 0 IEADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(-c2ccncc2)n1 ZINC001164715266 720196062 /nfs/dbraw/zinc/19/60/62/720196062.db2.gz 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IEADRO Cn1cnc2c1nc(N1CCC3(CC[N@H+](Cc4cccnc4)C3)CC1)nc2N1CCOCC1 ZINC001164953088 722015303 /nfs/dbraw/zinc/01/53/03/722015303.db2.gz RLYIDPANSSLXAZ-UHFFFAOYSA-N 1 0 448.575 2.087 20 0 IEADRO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961179 722052567 /nfs/dbraw/zinc/05/25/67/722052567.db2.gz UJPSGHWJMMSJOZ-UHFFFAOYSA-N 1 0 431.924 2.431 20 0 IEADRO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963858 722054537 /nfs/dbraw/zinc/05/45/37/722054537.db2.gz OOMKYGLPNLPNNK-UHFFFAOYSA-N 1 0 426.517 2.391 20 0 IEADRO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962581 722055329 /nfs/dbraw/zinc/05/53/29/722055329.db2.gz FRDSUSKPHZXVRG-UHFFFAOYSA-N 1 0 441.532 2.176 20 0 IEADRO CC[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2N1C1CCCC1 ZINC001164967587 722071748 /nfs/dbraw/zinc/07/17/48/722071748.db2.gz QWDCIMBNTITPEN-WSTZPKSXSA-N 1 0 426.565 2.256 20 0 IEADRO Fc1ccccc1N1CCN(c2cc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)ncn2)CC1 ZINC001164967213 722076110 /nfs/dbraw/zinc/07/61/10/722076110.db2.gz OBPFHDYWOJWTHF-BGYRXZFFSA-N 1 0 438.551 2.242 20 0 IEADRO Cn1cc(N2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2=O)cn1 ZINC001164972944 722094482 /nfs/dbraw/zinc/09/44/82/722094482.db2.gz AHYPLPZUXPLIJT-IRLDBZIGSA-N 1 0 428.540 2.473 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981744 722100435 /nfs/dbraw/zinc/10/04/35/722100435.db2.gz MFCBOTOGAPGEFT-FUHWJXTLSA-N 1 0 431.924 2.429 20 0 IEADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977284 722125121 /nfs/dbraw/zinc/12/51/21/722125121.db2.gz MMPKREQVMXRSJS-ZIAGYGMSSA-N 1 0 437.331 2.005 20 0 IEADRO O=C(NC1CCCC1)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973263 722147847 /nfs/dbraw/zinc/14/78/47/722147847.db2.gz BOHOXISPXCJBDD-KNQAVFIVSA-N 1 0 436.560 2.271 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[C@H]32)cs1 ZINC001164984876 722177391 /nfs/dbraw/zinc/17/73/91/722177391.db2.gz GQUUPCMRIRXALK-QZTJIDSGSA-N 1 0 434.997 2.410 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)n4)CC[C@H]32)cs1 ZINC001164988566 722183957 /nfs/dbraw/zinc/18/39/57/722183957.db2.gz KLWHCRCCFQKMIO-RTWAWAEBSA-N 1 0 442.633 2.468 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@@H]32)cs1 ZINC001164986603 722185335 /nfs/dbraw/zinc/18/53/35/722185335.db2.gz FZYVMQBUGYSSLY-VQTJNVASSA-N 1 0 444.605 2.242 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)n2)CC1 ZINC001164997428 722220011 /nfs/dbraw/zinc/22/00/11/722220011.db2.gz DNKTZELXHZOFDH-XMMPIXPASA-N 1 0 435.528 2.196 20 0 IEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CCC2 ZINC001164999862 722250761 /nfs/dbraw/zinc/25/07/61/722250761.db2.gz HJGNIECOWDTKBY-UHFFFAOYSA-N 1 0 442.898 2.064 20 0 IEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH]1 ZINC001165001664 722254550 /nfs/dbraw/zinc/25/45/50/722254550.db2.gz FSPYYOHISRXNJH-UHFFFAOYSA-N 1 0 447.927 2.083 20 0 IEADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001536 722255143 /nfs/dbraw/zinc/25/51/43/722255143.db2.gz BEDSSKOQVOSAJU-WAYWQWQTSA-N 1 0 438.532 2.434 20 0 IEADRO COc1nnc(Cl)cc1C(F)(F)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004140 722257953 /nfs/dbraw/zinc/25/79/53/722257953.db2.gz NQLZIWBTFAPSDP-UHFFFAOYSA-N 1 0 430.887 2.369 20 0 IEADRO NS(=O)(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001560532783 1126211764 /nfs/dbraw/zinc/21/17/64/1126211764.db2.gz WFWZLFGVTSTDSS-GOSISDBHSA-N 1 0 425.348 2.106 20 0 IEADRO COc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1OCC(N)=O ZINC001621004523 1126244243 /nfs/dbraw/zinc/24/42/43/1126244243.db2.gz AOZOLQGBTFQCGT-NRFANRHFSA-N 1 0 449.345 2.331 20 0 IEADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164402252 718839948 /nfs/dbraw/zinc/83/99/48/718839948.db2.gz DPFRAGZEASZSAA-KRWDZBQOSA-N 1 0 437.569 2.471 20 0 IEADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164406380 718863870 /nfs/dbraw/zinc/86/38/70/718863870.db2.gz GMXCDGVWLMQNHV-AEFFLSMTSA-N 1 0 443.617 2.217 20 0 IEADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCNC(=O)C23C[NH2+]C3)cc1 ZINC001164411508 718878902 /nfs/dbraw/zinc/87/89/02/718878902.db2.gz QJUICVQTDNVSNN-UHFFFAOYSA-N 1 0 436.846 2.012 20 0 IEADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415366 718885577 /nfs/dbraw/zinc/88/55/77/718885577.db2.gz HNUZYXYTEZZNNV-UHFFFAOYSA-N 1 0 432.866 2.427 20 0 IEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164434834 718969880 /nfs/dbraw/zinc/96/98/80/718969880.db2.gz WBAVVURWMVXUSD-CHWSQXEVSA-N 1 0 446.829 2.485 20 0 IEADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164434566 718970007 /nfs/dbraw/zinc/97/00/07/718970007.db2.gz TVTUSXUFHVHWOU-KBPBESRZSA-N 1 0 428.789 2.384 20 0 IEADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nc(Cl)nc3C(N)=O)CC2)CC1 ZINC001164618384 719027876 /nfs/dbraw/zinc/02/78/76/719027876.db2.gz VIVJLCPFEMXBSO-UHFFFAOYSA-N 1 0 430.336 2.126 20 0 IEADRO Cn1cnc2c1nc(N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)nc2N1CCOCC1 ZINC001164627218 719069344 /nfs/dbraw/zinc/06/93/44/719069344.db2.gz PWTQBUFVJHKTOT-UXHICEINSA-N 1 0 433.560 2.301 20 0 IEADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629008 719095377 /nfs/dbraw/zinc/09/53/77/719095377.db2.gz PSRWZHXXWTWYFK-VOXLTAEOSA-N 1 0 428.558 2.492 20 0 IEADRO COc1nc(N2CCn3ccnc3C2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628534 719108254 /nfs/dbraw/zinc/10/82/54/719108254.db2.gz NICGXCVBNVNULH-WOJBJXKFSA-N 1 0 446.559 2.198 20 0 IEADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164635243 719136647 /nfs/dbraw/zinc/13/66/47/719136647.db2.gz WMSCQTRGOSZFCF-HOCLYGCPSA-N 1 0 429.590 2.363 20 0 IEADRO CN(C)C(=O)CN1CC[C@]2(CN(c3cc(C[NH+](C)C)ccn3)C[C@H]2c2ccccc2)C1=O ZINC001164635265 719144208 /nfs/dbraw/zinc/14/42/08/719144208.db2.gz WRLODALXVQUDTC-SQJMNOBHSA-N 1 0 435.572 2.054 20 0 IEADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)nn1 ZINC001164638318 719265920 /nfs/dbraw/zinc/26/59/20/719265920.db2.gz OKJQANNQODXBLY-QPPBQGQZSA-N 1 0 438.576 2.500 20 0 IEADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(c2ccc(C[N@@H+](C)C4CC4)cn2)C3)nn1 ZINC001164642709 719266271 /nfs/dbraw/zinc/26/62/71/719266271.db2.gz YNESQTLZQILVPN-RDPSFJRHSA-N 1 0 438.576 2.498 20 0 IEADRO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2ncccc2C[NH+]2CCCC2)C3)nn1 ZINC001164638303 719266301 /nfs/dbraw/zinc/26/63/01/719266301.db2.gz OIPHGAGPDQIHQI-GBXCKJPGSA-N 1 0 438.576 2.500 20 0 IEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)C[C@@H]2CCCO[C@@H]12 ZINC001164655445 719320431 /nfs/dbraw/zinc/32/04/31/719320431.db2.gz XJWQWJDKOWRGEN-UCNVEGJOSA-N 1 0 425.533 2.386 20 0 IEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)C[C@H]2CCCO[C@H]21 ZINC001164655444 719320540 /nfs/dbraw/zinc/32/05/40/719320540.db2.gz XJWQWJDKOWRGEN-NQSCKRDGSA-N 1 0 425.533 2.386 20 0 IEADRO CN(C[C@H](O)CO)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164668950 719365778 /nfs/dbraw/zinc/36/57/78/719365778.db2.gz PBLGUVJCWCTRMA-INIZCTEOSA-N 1 0 431.920 2.186 20 0 IEADRO CCOC(=O)c1ccnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1C(=O)OCC ZINC001164684617 719653067 /nfs/dbraw/zinc/65/30/67/719653067.db2.gz YHNVIUSZHRIAAF-UHFFFAOYSA-N 1 0 429.521 2.107 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164684159 719700600 /nfs/dbraw/zinc/70/06/00/719700600.db2.gz NKPGRUWBQQJUKD-UHFFFAOYSA-N 1 0 445.898 2.032 20 0 IEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]2O1 ZINC001164697869 719820283 /nfs/dbraw/zinc/82/02/83/719820283.db2.gz BJTWTUAONXAYBK-AJSBUHFISA-N 1 0 435.572 2.415 20 0 IEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)c(N)cn1)CC2 ZINC001164716256 720109416 /nfs/dbraw/zinc/10/94/16/720109416.db2.gz JNPKARHHGAGQAV-GOSISDBHSA-N 1 0 425.533 2.353 20 0 IEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3nc[nH]c3c(N(C)C)n1)CC2 ZINC001164716857 720124970 /nfs/dbraw/zinc/12/49/70/720124970.db2.gz KZOYYRIQARCRQL-GOSISDBHSA-N 1 0 436.564 2.321 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(N3CCC(C(=O)OC)CC3)n1)C2 ZINC001164811052 720146109 /nfs/dbraw/zinc/14/61/09/720146109.db2.gz KQFKNPUEEFNXHA-YKSBVNFPSA-N 1 0 443.592 2.051 20 0 IEADRO CNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711860 720156132 /nfs/dbraw/zinc/15/61/32/720156132.db2.gz CYWTUHIOPWSOFL-QGZVFWFLSA-N 1 0 444.967 2.392 20 0 IEADRO CCOC(=O)c1cc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164716174 720164966 /nfs/dbraw/zinc/16/49/66/720164966.db2.gz YLXCBYGZNYVLRU-QGZVFWFLSA-N 1 0 448.955 2.256 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)C2 ZINC001164819069 720168830 /nfs/dbraw/zinc/16/88/30/720168830.db2.gz VVQRZPHUMTVJFE-NFBKMPQASA-N 1 0 448.633 2.441 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)C2 ZINC001164819075 720169119 /nfs/dbraw/zinc/16/91/19/720169119.db2.gz VVQRZPHUMTVJFE-REWPJTCUSA-N 1 0 448.633 2.441 20 0 IEADRO Cn1nnc2c1CCN(c1cncc(OCc3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715804 720172962 /nfs/dbraw/zinc/17/29/62/720172962.db2.gz WUVDBLUAERCRRX-NRFANRHFSA-N 1 0 449.559 2.400 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1S(=O)(=O)N1CCCCC1)C2 ZINC001164816265 720183340 /nfs/dbraw/zinc/18/33/40/720183340.db2.gz KNWOZDIUSUDWSA-NFBKMPQASA-N 1 0 448.633 2.441 20 0 IEADRO CCOc1ccc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164715890 720184584 /nfs/dbraw/zinc/18/45/84/720184584.db2.gz DBPZBQGPHVHCML-NRFANRHFSA-N 1 0 437.548 2.373 20 0 IEADRO Cn1nnc2c1CCN(c1ncnc3cc(Cl)cnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718780 720186757 /nfs/dbraw/zinc/18/67/57/720186757.db2.gz QZTYZDCUMUWBOD-KRWDZBQOSA-N 1 0 428.928 2.023 20 0 IEADRO COc1cccc(-c2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)c1 ZINC001164717193 720190655 /nfs/dbraw/zinc/19/06/55/720190655.db2.gz URRXJFGMCDZKPM-QFIPXVFZSA-N 1 0 449.559 2.497 20 0 IEADRO COC(OC)c1cc(C)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716005 720192881 /nfs/dbraw/zinc/19/28/81/720192881.db2.gz OAALDMDZMQNZSA-LJQANCHMSA-N 1 0 430.553 2.026 20 0 IEADRO CC1CCN(c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)CC1 ZINC001164716241 720198194 /nfs/dbraw/zinc/19/81/94/720198194.db2.gz PPERILWYPSHCDA-HXUWFJFHSA-N 1 0 440.596 2.058 20 0 IEADRO COc1ccccc1-c1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164714655 720198951 /nfs/dbraw/zinc/19/89/51/720198951.db2.gz HMWYQXHWNCKHFN-OAQYLSRUSA-N 1 0 449.559 2.497 20 0 IEADRO Cn1nnc2c1CCN(c1cncc(N3CCCCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717077 720200944 /nfs/dbraw/zinc/20/09/44/720200944.db2.gz RXOPTVLEHLHUHK-HXUWFJFHSA-N 1 0 440.596 2.202 20 0 IEADRO CCCSc1ncnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1OC ZINC001164716840 720205999 /nfs/dbraw/zinc/20/59/99/720205999.db2.gz FWUMZLSUJDDZHR-KRWDZBQOSA-N 1 0 447.609 2.332 20 0 IEADRO COc1cc2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2cc1OC ZINC001164811314 720214425 /nfs/dbraw/zinc/21/44/25/720214425.db2.gz GAUGEJXHAGQGFG-UHFFFAOYSA-N 1 0 438.532 2.454 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccc3)nc(N(C)C)n1)CCC2 ZINC001164814109 720226504 /nfs/dbraw/zinc/22/65/04/720226504.db2.gz UIPQAKSAQSTCLM-UHFFFAOYSA-N 1 0 448.575 2.412 20 0 IEADRO CCOC(=O)c1ncnc(Cl)c1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814486 720232609 /nfs/dbraw/zinc/23/26/09/720232609.db2.gz VDIPNFAYMSZMFM-UHFFFAOYSA-N 1 0 434.928 2.114 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CCC2 ZINC001164818287 720246666 /nfs/dbraw/zinc/24/66/66/720246666.db2.gz YFUYDZKSVUACQM-UHFFFAOYSA-N 1 0 427.883 2.326 20 0 IEADRO COC(=O)c1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164826539 720301312 /nfs/dbraw/zinc/30/13/12/720301312.db2.gz VLYGUIWJCNWXPK-SFTDATJTSA-N 1 0 437.544 2.328 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc4c(cc32)OCCO4)CC1 ZINC001164827963 720301936 /nfs/dbraw/zinc/30/19/36/720301936.db2.gz YTWWTRRDWJWRKY-UXHICEINSA-N 1 0 437.544 2.313 20 0 IEADRO COC(=O)c1cccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc21 ZINC001164823898 720308796 /nfs/dbraw/zinc/30/87/96/720308796.db2.gz QPFSQEROCRRMSE-RTWAWAEBSA-N 1 0 437.544 2.328 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(C(=O)OC(C)(C)C)n2)CC1 ZINC001164824672 720324427 /nfs/dbraw/zinc/32/44/27/720324427.db2.gz CROPASFZKXJHNM-RBUKOAKNSA-N 1 0 429.565 2.343 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(C(=O)OC(C)(C)C)n2)CC1 ZINC001164824674 720324713 /nfs/dbraw/zinc/32/47/13/720324713.db2.gz CROPASFZKXJHNM-RTBURBONSA-N 1 0 429.565 2.343 20 0 IEADRO 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C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3c(c(N4CCOCC4)n1)CNC3)CC2 ZINC001164796805 721499548 /nfs/dbraw/zinc/49/95/48/721499548.db2.gz YRXYVMXKHKDWPN-UHFFFAOYSA-N 1 0 449.603 2.192 20 0 IEADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CC2 ZINC001164795967 721502375 /nfs/dbraw/zinc/50/23/75/721502375.db2.gz NYKKYQOCMHROKC-FQEVSTJZSA-N 1 0 435.576 2.207 20 0 IEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)CC3)CC1 ZINC001164796849 721515735 /nfs/dbraw/zinc/51/57/35/721515735.db2.gz DXHWNVBGZQRCIH-UHFFFAOYSA-N 1 0 448.909 2.187 20 0 IEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)COc2cccc(Cl)n2)CC3)CC1 ZINC001164799185 721516022 /nfs/dbraw/zinc/51/60/22/721516022.db2.gz YBCUSAFHBYYULY-UHFFFAOYSA-N 1 0 426.899 2.166 20 0 IEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC3)CC1 ZINC001164797828 721517542 /nfs/dbraw/zinc/51/75/42/721517542.db2.gz OSDJFUCQZZXHCW-UHFFFAOYSA-N 1 0 446.333 2.378 20 0 IEADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907287 721539655 /nfs/dbraw/zinc/53/96/55/721539655.db2.gz MTZCBBZMRRHDJJ-DGCLKSJQSA-N 1 0 426.279 2.363 20 0 IEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2N2CCOCC2)[C@@H]2CCCO[C@H]21 ZINC001164802368 721556471 /nfs/dbraw/zinc/55/64/71/721556471.db2.gz IFFJGBBNNQLTLT-MISYRCLQSA-N 1 0 444.967 2.230 20 0 IEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2N2CCOCC2)[C@H]2CCCO[C@H]12 ZINC001164802374 721556715 /nfs/dbraw/zinc/55/67/15/721556715.db2.gz IFFJGBBNNQLTLT-SXLOBPIMSA-N 1 0 444.967 2.230 20 0 IEADRO FC1(F)CCN(c2cc(N3CCOCC3)ncn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908261 721586490 /nfs/dbraw/zinc/58/64/90/721586490.db2.gz YESRNCALUMZYRC-NRFANRHFSA-N 1 0 430.503 2.446 20 0 IEADRO O=C1CO[C@@]2(CN1c1ccsc1)COCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164801054 721594282 /nfs/dbraw/zinc/59/42/82/721594282.db2.gz QAIDWYWOWMVXCD-QFIPXVFZSA-N 1 0 428.558 2.378 20 0 IEADRO O=C([C@@H]1C[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1)N1CCOCC1 ZINC001164801669 721595207 /nfs/dbraw/zinc/59/52/07/721595207.db2.gz RZBGUUQFFMYDAQ-SGNDLWITSA-N 1 0 448.567 2.235 20 0 IEADRO CN1CCN(c2nccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164912723 721731372 /nfs/dbraw/zinc/73/13/72/721731372.db2.gz PSKBQFCLOVMSPM-JOCHJYFZSA-N 1 0 443.546 2.361 20 0 IEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccc4c(c3)OCCO4)nn2)CC1 ZINC001165011403 721745272 /nfs/dbraw/zinc/74/52/72/721745272.db2.gz WMFYMGYAGXAWTN-UHFFFAOYSA-N 1 0 437.544 2.438 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@]4(CCN(c5cnccn5)C4)C3)n2)CC1 ZINC001164915133 721802650 /nfs/dbraw/zinc/80/26/50/721802650.db2.gz IHTCJISNBAHFTJ-OAQYLSRUSA-N 1 0 429.519 2.366 20 0 IEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001165019526 721805648 /nfs/dbraw/zinc/80/56/48/721805648.db2.gz CRBHWSRBKLCINU-NZSAHSFTSA-N 1 0 443.983 2.494 20 0 IEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4[n-]cc(S(C)(=O)=O)c43)C[C@H]21 ZINC001165028491 721807859 /nfs/dbraw/zinc/80/78/59/721807859.db2.gz ZEDMDSQRSDHKJC-KBAYOESNSA-N 1 0 440.573 2.493 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](COCc5nccs5)CC[C@@H]43)n2)CC1 ZINC001164919521 721810553 /nfs/dbraw/zinc/81/05/53/721810553.db2.gz YZPGODOPDMBBST-NPPFBWRTSA-N 1 0 429.590 2.491 20 0 IEADRO CCN(C)c1cc(C)[nH+]c(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)n1 ZINC001164919252 721822436 /nfs/dbraw/zinc/82/24/36/721822436.db2.gz OOQCKLRUDURMDP-NRFANRHFSA-N 1 0 432.594 2.114 20 0 IEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1 ZINC001164931287 721859446 /nfs/dbraw/zinc/85/94/46/721859446.db2.gz UQPKHSBLPRHGAE-JKSUJKDBSA-N 1 0 443.926 2.456 20 0 IEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1 ZINC001164931281 721859662 /nfs/dbraw/zinc/85/96/62/721859662.db2.gz UQPKHSBLPRHGAE-CVEARBPZSA-N 1 0 443.926 2.456 20 0 IEADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)c(OC)c1OC ZINC001164934565 721885577 /nfs/dbraw/zinc/88/55/77/721885577.db2.gz SBYVJBNVQRIOHA-MOPGFXCFSA-N 1 0 427.549 2.384 20 0 IEADRO COc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)c(OC)c1OC ZINC001164934566 721885688 /nfs/dbraw/zinc/88/56/88/721885688.db2.gz SBYVJBNVQRIOHA-OALUTQOASA-N 1 0 427.549 2.384 20 0 IEADRO Cn1ccc(CN2CCOCC23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)CC3)n1 ZINC001164935025 721909962 /nfs/dbraw/zinc/90/99/62/721909962.db2.gz DEOTXQZSVYKWIP-UHFFFAOYSA-N 1 0 440.592 2.065 20 0 IEADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@H]21 ZINC001164943949 721941125 /nfs/dbraw/zinc/94/11/25/721941125.db2.gz QCQQZWMHPVZDIZ-RTBURBONSA-N 1 0 432.956 2.291 20 0 IEADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nn2)C1 ZINC001165044255 721960294 /nfs/dbraw/zinc/96/02/94/721960294.db2.gz GWJXXDHBNXQCAZ-HXUWFJFHSA-N 1 0 439.560 2.457 20 0 IEADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@@H]21 ZINC001164943880 721963591 /nfs/dbraw/zinc/96/35/91/721963591.db2.gz GSUIBBGTWOWRRT-VXKWHMMOSA-N 1 0 427.549 2.154 20 0 IEADRO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164954666 722005899 /nfs/dbraw/zinc/00/58/99/722005899.db2.gz ZWAVRPHGZBRAAM-UHFFFAOYSA-N 1 0 430.560 2.354 20 0 IEADRO COC(=O)c1nc2cnccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964809 722057122 /nfs/dbraw/zinc/05/71/22/722057122.db2.gz XXFZNWRCABAOSR-UHFFFAOYSA-N 1 0 448.527 2.325 20 0 IEADRO O=C1CCC(=O)N1Cc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164962404 722057671 /nfs/dbraw/zinc/05/76/71/722057671.db2.gz RQGSHBYBONAAHM-UHFFFAOYSA-N 1 0 449.555 2.245 20 0 IEADRO CCOC(=O)Cc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164962181 722058310 /nfs/dbraw/zinc/05/83/10/722058310.db2.gz PEXAYNATJUJLJO-UHFFFAOYSA-N 1 0 425.533 2.096 20 0 IEADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984301 722100215 /nfs/dbraw/zinc/10/02/15/722100215.db2.gz SEBGMAARHLURGP-PKOBYXMFSA-N 1 0 443.573 2.498 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981746 722100787 /nfs/dbraw/zinc/10/07/87/722100787.db2.gz MFCBOTOGAPGEFT-SJLPKXTDSA-N 1 0 431.924 2.429 20 0 IEADRO Clc1ncc(N2CCOCC2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979826 722119641 /nfs/dbraw/zinc/11/96/41/722119641.db2.gz QGMJZYKCZPMLNK-UYAOXDASSA-N 1 0 444.967 2.089 20 0 IEADRO CN1CCOc2c(Cl)nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981482 722136494 /nfs/dbraw/zinc/13/64/94/722136494.db2.gz OWMNMMKCWUDKJS-IRXDYDNUSA-N 1 0 430.940 2.081 20 0 IEADRO CN1CCOc2c(Cl)nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981477 722136533 /nfs/dbraw/zinc/13/65/33/722136533.db2.gz OWMNMMKCWUDKJS-DLBZAZTESA-N 1 0 430.940 2.081 20 0 IEADRO O=C(NC1CCCC1)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973272 722148130 /nfs/dbraw/zinc/14/81/30/722148130.db2.gz BOHOXISPXCJBDD-UGKGYDQZSA-N 1 0 436.560 2.271 20 0 IEADRO COCCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164972704 722153261 /nfs/dbraw/zinc/15/32/61/722153261.db2.gz JBLMMIOFPDUFLD-SFTDATJTSA-N 1 0 426.517 2.007 20 0 IEADRO COCCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164972694 722153314 /nfs/dbraw/zinc/15/33/14/722153314.db2.gz JBLMMIOFPDUFLD-LEWJYISDSA-N 1 0 426.517 2.007 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[C@@H]32)cs1 ZINC001164988933 722174692 /nfs/dbraw/zinc/17/46/92/722174692.db2.gz SFWYQNZDLVASGQ-ROUUACIJSA-N 1 0 434.997 2.410 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@H]32)cs1 ZINC001164986601 722185340 /nfs/dbraw/zinc/18/53/40/722185340.db2.gz FZYVMQBUGYSSLY-UXHICEINSA-N 1 0 444.605 2.242 20 0 IEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CCC2 ZINC001165002243 722255460 /nfs/dbraw/zinc/25/54/60/722255460.db2.gz LYQCFAXGCHRVNU-UHFFFAOYSA-N 1 0 442.898 2.064 20 0 IEADRO COC(=O)c1sc2[nH]c(C[NH2+][C@@](C)(CO)Cc3ccccc3OC)nc(=O)c2c1C ZINC001197304192 1126154258 /nfs/dbraw/zinc/15/42/58/1126154258.db2.gz KLRXNYIKCGOPIX-OAQYLSRUSA-N 1 0 431.514 2.172 20 0 IEADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1C ZINC001308426203 1126165796 /nfs/dbraw/zinc/16/57/96/1126165796.db2.gz GMVNOQLAPJSGMD-INIZCTEOSA-N 1 0 427.364 2.407 20 0 IEADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001308479362 1126166526 /nfs/dbraw/zinc/16/65/26/1126166526.db2.gz ILABKLNPQYAJQM-HXUWFJFHSA-N 1 0 437.382 2.411 20 0 IEADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001308480126 1126167018 /nfs/dbraw/zinc/16/70/18/1126167018.db2.gz RWESLVATHBCDIQ-SFHVURJKSA-N 1 0 443.363 2.188 20 0 IEADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001308480125 1126167027 /nfs/dbraw/zinc/16/70/27/1126167027.db2.gz RWESLVATHBCDIQ-GOSISDBHSA-N 1 0 443.363 2.188 20 0 IEADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001461669558 1126195693 /nfs/dbraw/zinc/19/56/93/1126195693.db2.gz FPSZUVVXHQIMRO-QGZVFWFLSA-N 1 0 431.327 2.319 20 0 IEADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 ZINC001620625379 1126242530 /nfs/dbraw/zinc/24/25/30/1126242530.db2.gz SEBNNNTYXIKOEX-HSZRJFAPSA-N 1 0 431.485 2.360 20 0 IEADRO COc1cccc(-c2cc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)c(Cl)nn2)c1 ZINC001164391881 718809925 /nfs/dbraw/zinc/80/99/25/718809925.db2.gz JKPJMLWFSVWJTA-UHFFFAOYSA-N 1 0 437.878 2.409 20 0 IEADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCC(F)(C[NH3+])CC2)C1=O ZINC001164390932 718813253 /nfs/dbraw/zinc/81/32/53/718813253.db2.gz DZIWTEBEVVGVFR-IBGZPJMESA-N 1 0 428.915 2.284 20 0 IEADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415540 718885761 /nfs/dbraw/zinc/88/57/61/718885761.db2.gz KELTVSBBCSSCQZ-UHFFFAOYSA-N 1 0 427.843 2.062 20 0 IEADRO Cc1sc2nc(CN3CCCC3)nc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423516 718915984 /nfs/dbraw/zinc/91/59/84/718915984.db2.gz HXYQTLQXVIOPAV-QFIPXVFZSA-N 1 0 431.606 2.489 20 0 IEADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164618386 719030299 /nfs/dbraw/zinc/03/02/99/719030299.db2.gz VLONMIBJUWWUHQ-UHFFFAOYSA-N 1 0 443.548 2.389 20 0 IEADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCC(C3C[NH2+]C3)CC2)C1=O ZINC001164616296 719037463 /nfs/dbraw/zinc/03/74/63/719037463.db2.gz WDUKXUCILPEPIW-NRFANRHFSA-N 1 0 436.963 2.453 20 0 IEADRO O=S(=O)(c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1)N1CCOCC1 ZINC001164624264 719097531 /nfs/dbraw/zinc/09/75/31/719097531.db2.gz DWOZRQOHUZFUQN-UNMCSNQZSA-N 1 0 442.585 2.203 20 0 IEADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164635242 719136365 /nfs/dbraw/zinc/13/63/65/719136365.db2.gz WMSCQTRGOSZFCF-GOEBONIOSA-N 1 0 429.590 2.363 20 0 IEADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(c2ncccc2C[NH+]2CCCC2)C3)nn1 ZINC001164638305 719266571 /nfs/dbraw/zinc/26/65/71/719266571.db2.gz OIPHGAGPDQIHQI-RDPSFJRHSA-N 1 0 438.576 2.500 20 0 IEADRO O=C([C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)CC12CCOCC2)N1CC=CC1 ZINC001164677669 719559039 /nfs/dbraw/zinc/55/90/39/719559039.db2.gz QYKOJXVKSGMZDU-FQEVSTJZSA-N 1 0 426.561 2.188 20 0 IEADRO c1ccc(C[N@@H+]2CCc3nc(N4CCn5c(CN6CCOCC6)nnc5C4)ccc3C2)cc1 ZINC001164676972 719575197 /nfs/dbraw/zinc/57/51/97/719575197.db2.gz SRGRYTFBBSTJHO-UHFFFAOYSA-N 1 0 445.571 2.084 20 0 IEADRO CC(C)N(C)Cc1nn(-c2cc(N3CCN(c4ccccc4)CC3)ncn2)c2c1CC[NH2+]C2 ZINC001164680192 719644531 /nfs/dbraw/zinc/64/45/31/719644531.db2.gz RVSGCKPDZUUAJU-UHFFFAOYSA-N 1 0 446.603 2.475 20 0 IEADRO Cn1cnc2cnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164683255 719667219 /nfs/dbraw/zinc/66/72/19/719667219.db2.gz REHGSFMAEIXNRX-SFHVURJKSA-N 1 0 447.587 2.457 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(=O)OC)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164687616 719732630 /nfs/dbraw/zinc/73/26/30/719732630.db2.gz ZUIYIDXKQWPVAH-UHFFFAOYSA-N 1 0 445.564 2.034 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)CC2 ZINC001164689891 719748178 /nfs/dbraw/zinc/74/81/78/719748178.db2.gz NUKQMOJNSGBJHV-UHFFFAOYSA-N 1 0 426.517 2.211 20 0 IEADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(S(N)(=O)=O)cc2F)CC3)cs1 ZINC001164699690 719817381 /nfs/dbraw/zinc/81/73/81/719817381.db2.gz IDTGIUPYDWYSIL-UHFFFAOYSA-N 1 0 425.555 2.268 20 0 IEADRO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164695836 719835267 /nfs/dbraw/zinc/83/52/67/719835267.db2.gz PLLJVXHGICCHNJ-FQEVSTJZSA-N 1 0 449.559 2.400 20 0 IEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C(N)=O)n1)CC2 ZINC001164715515 720111143 /nfs/dbraw/zinc/11/11/43/720111143.db2.gz GWKDRNYNNMAZBL-MRXNPFEDSA-N 1 0 430.940 2.131 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164714144 720124659 /nfs/dbraw/zinc/12/46/59/720124659.db2.gz AFASNKMYAUGGOV-INIZCTEOSA-N 1 0 430.940 2.131 20 0 IEADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccncc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711807 720171272 /nfs/dbraw/zinc/17/12/72/720171272.db2.gz CFCOFKXNQOVQJO-QGZVFWFLSA-N 1 0 428.928 2.023 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)C2 ZINC001164813607 720174209 /nfs/dbraw/zinc/17/42/09/720174209.db2.gz CNRUSSRMGLDCIA-AUSIDOKSSA-N 1 0 448.995 2.392 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)C2 ZINC001164818437 720174361 /nfs/dbraw/zinc/17/43/61/720174361.db2.gz SUWWXPWMYSPXKG-CYFREDJKSA-N 1 0 441.576 2.097 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)C2 ZINC001164818440 720174377 /nfs/dbraw/zinc/17/43/77/720174377.db2.gz SUWWXPWMYSPXKG-YADARESESA-N 1 0 441.576 2.097 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1CSC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715935 720175422 /nfs/dbraw/zinc/17/54/22/720175422.db2.gz DTOCNOVSWUXOTL-MRXNPFEDSA-N 1 0 435.985 2.222 20 0 IEADRO Cn1nnc2c1CCN(c1nc3ncccc3nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164719210 720180776 /nfs/dbraw/zinc/18/07/76/720180776.db2.gz UQDRHFYOZKMPSQ-INIZCTEOSA-N 1 0 428.928 2.023 20 0 IEADRO Cn1nnc2c1CCN(c1nc3ncccc3nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719211 720181293 /nfs/dbraw/zinc/18/12/93/720181293.db2.gz UQDRHFYOZKMPSQ-MRXNPFEDSA-N 1 0 428.928 2.023 20 0 IEADRO Cn1nnc2c1CCN(c1ccc(C(=O)OC(C)(C)C)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717731 720181785 /nfs/dbraw/zinc/18/17/85/720181785.db2.gz LYNIEUWNLGGNIT-IBGZPJMESA-N 1 0 442.564 2.382 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cncc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713843 720191496 /nfs/dbraw/zinc/19/14/96/720191496.db2.gz FCWCWXCEQOIUDD-CQSZACIVSA-N 1 0 427.887 2.020 20 0 IEADRO COC(OC)c1cc(C)cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716004 720192601 /nfs/dbraw/zinc/19/26/01/720192601.db2.gz OAALDMDZMQNZSA-IBGZPJMESA-N 1 0 430.553 2.026 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(N)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713768 720194935 /nfs/dbraw/zinc/19/49/35/720194935.db2.gz DCOCLOJOYKQURA-MRXNPFEDSA-N 1 0 441.914 2.207 20 0 IEADRO COc1cccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)c1 ZINC001164714495 720197284 /nfs/dbraw/zinc/19/72/84/720197284.db2.gz FYYODGGMQUJXRC-JOCHJYFZSA-N 1 0 449.559 2.497 20 0 IEADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164816702 720245810 /nfs/dbraw/zinc/24/58/10/720245810.db2.gz LPQLEQPIHLJMFU-AWEZNQCLSA-N 1 0 448.955 2.214 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(NC(=O)C(C)(C)C)nn2)CC1 ZINC001164826178 720317602 /nfs/dbraw/zinc/31/76/02/720317602.db2.gz FLJRFIXXFUSESX-QZTJIDSGSA-N 1 0 428.581 2.373 20 0 IEADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826343 720318523 /nfs/dbraw/zinc/31/85/23/720318523.db2.gz GHHMPVKJDRXJHB-VQTJNVASSA-N 1 0 441.576 2.442 20 0 IEADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826345 720318807 /nfs/dbraw/zinc/31/88/07/720318807.db2.gz GHHMPVKJDRXJHB-WOJBJXKFSA-N 1 0 441.576 2.442 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828897 720319639 /nfs/dbraw/zinc/31/96/39/720319639.db2.gz KGAGHPXLYMGFIB-ROUUACIJSA-N 1 0 449.983 2.147 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828893 720319786 /nfs/dbraw/zinc/31/97/86/720319786.db2.gz KGAGHPXLYMGFIB-MSOLQXFVSA-N 1 0 449.983 2.147 20 0 IEADRO CCOc1ccc(C(=O)OC)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824661 720323887 /nfs/dbraw/zinc/32/38/87/720323887.db2.gz CPGFLKYGGCXIDO-OALUTQOASA-N 1 0 430.549 2.178 20 0 IEADRO COC(=O)c1cc2c[nH]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc-2n1 ZINC001164823334 720332264 /nfs/dbraw/zinc/33/22/64/720332264.db2.gz AQONWKSZYLDPGU-UXHICEINSA-N 1 0 425.533 2.261 20 0 IEADRO COC(=O)CSc1cccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827169 720332596 /nfs/dbraw/zinc/33/25/96/720332596.db2.gz HACUZKZSBXRDIY-ROUUACIJSA-N 1 0 432.590 2.258 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ccc2S(C)(=O)=O)CC1 ZINC001164828481 720334875 /nfs/dbraw/zinc/33/48/75/720334875.db2.gz JVHHAQQIPURRPT-CVEARBPZSA-N 1 0 440.997 2.050 20 0 IEADRO CN1CCc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2C1 ZINC001164830103 720351634 /nfs/dbraw/zinc/35/16/34/720351634.db2.gz VGSYSSKFEKJEES-RBUKOAKNSA-N 1 0 433.000 2.029 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc(O[C@H]3CCOC3)n2)CC1 ZINC001164823458 720354286 /nfs/dbraw/zinc/35/42/86/720354286.db2.gz GFGMIUDRCMOTBM-KSZLIROESA-N 1 0 449.983 2.209 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)Oc2cnc(Cl)cn2)CC1 ZINC001164831714 720355029 /nfs/dbraw/zinc/35/50/29/720355029.db2.gz ZXZJMILPTVZPMY-LSDHHAIUSA-N 1 0 429.899 2.466 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC1 ZINC001164822900 720355382 /nfs/dbraw/zinc/35/53/82/720355382.db2.gz GDVDBPBYWGOAJM-IRXDYDNUSA-N 1 0 428.911 2.430 20 0 IEADRO COC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C(=O)OC ZINC001164835270 720515275 /nfs/dbraw/zinc/51/52/75/720515275.db2.gz JLOYOTXYDSHLPJ-YQVWRLOYSA-N 1 0 441.532 2.229 20 0 IEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)C1 ZINC001164734247 720525053 /nfs/dbraw/zinc/52/50/53/720525053.db2.gz OZDIVBWQZOZZJN-FQEVSTJZSA-N 1 0 432.576 2.198 20 0 IEADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(Cl)nc(Cl)nc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838564 720556468 /nfs/dbraw/zinc/55/64/68/720556468.db2.gz OPIDWKVONPKOCP-HZSPNIEDSA-N 1 0 438.363 2.457 20 0 IEADRO COC(OC)c1c(CO)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840103 720580073 /nfs/dbraw/zinc/58/00/73/720580073.db2.gz PAIZPYHGHALARA-HSALFYBXSA-N 1 0 429.565 2.440 20 0 IEADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164736599 720583032 /nfs/dbraw/zinc/58/30/32/720583032.db2.gz OMOSMGIEFCGWOG-UHFFFAOYSA-N 1 0 446.621 2.404 20 0 IEADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164736630 720583764 /nfs/dbraw/zinc/58/37/64/720583764.db2.gz PPFHQXIDUDKEAZ-SFHVURJKSA-N 1 0 446.621 2.404 20 0 IEADRO COC(=O)c1cc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2n1C ZINC001164844140 720594189 /nfs/dbraw/zinc/59/41/89/720594189.db2.gz ZAWUQGLCPGXKSU-CEXWTWQISA-N 1 0 437.548 2.329 20 0 IEADRO COCCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164840117 720636220 /nfs/dbraw/zinc/63/62/20/720636220.db2.gz PAQQWHGMWLKCHN-QHAWAJNXSA-N 1 0 427.549 2.459 20 0 IEADRO c1ccc(CN2CCc3c(ncnc3N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738499 720681985 /nfs/dbraw/zinc/68/19/85/720681985.db2.gz KDFMBGHGPOKSNA-LEWJYISDSA-N 1 0 443.555 2.167 20 0 IEADRO COc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(S(C)(=O)=O)n1 ZINC001164842641 720692292 /nfs/dbraw/zinc/69/22/92/720692292.db2.gz LZPYRLZAILKLOW-GOSISDBHSA-N 1 0 446.573 2.149 20 0 IEADRO CCOC(Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)OCC ZINC001164737873 720697652 /nfs/dbraw/zinc/69/76/52/720697652.db2.gz HMPKNTCAWUDPFV-HZPDHXFCSA-N 1 0 448.955 2.204 20 0 IEADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744316 720713570 /nfs/dbraw/zinc/71/35/70/720713570.db2.gz ZILNWVNYHBPNCC-CVEARBPZSA-N 1 0 430.940 2.395 20 0 IEADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164739230 720714412 /nfs/dbraw/zinc/71/44/12/720714412.db2.gz MECVYRSYSLFUBN-IRXDYDNUSA-N 1 0 430.940 2.349 20 0 IEADRO CN1CCN(c2nccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)CC1 ZINC001164838350 720719947 /nfs/dbraw/zinc/71/99/47/720719947.db2.gz IGGCBXIUULLZFD-JOCHJYFZSA-N 1 0 436.604 2.488 20 0 IEADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164838981 720727609 /nfs/dbraw/zinc/72/76/09/720727609.db2.gz JRVRQZCRIZYQSF-QGZVFWFLSA-N 1 0 434.537 2.128 20 0 IEADRO COc1ccc(OC)c(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164743502 720784676 /nfs/dbraw/zinc/78/46/76/720784676.db2.gz QNCURYYVJZDSRA-WMZOPIPTSA-N 1 0 434.500 2.293 20 0 IEADRO O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCC1 ZINC001164744179 720809218 /nfs/dbraw/zinc/80/92/18/720809218.db2.gz HRHKKJKZAQSTDI-KCZVDYSFSA-N 1 0 435.576 2.289 20 0 IEADRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C(N)=O ZINC001164742814 720812323 /nfs/dbraw/zinc/81/23/23/720812323.db2.gz FDGWWPNSIGSHBS-GVDBMIGSSA-N 1 0 429.956 2.113 20 0 IEADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164743826 720816239 /nfs/dbraw/zinc/81/62/39/720816239.db2.gz SPZCLTANDOHHKQ-KCZVDYSFSA-N 1 0 447.543 2.387 20 0 IEADRO COC(=O)c1cc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742078 720817522 /nfs/dbraw/zinc/81/75/22/720817522.db2.gz PQONFAMEDAFAOR-HHXXYDBFSA-N 1 0 430.940 2.493 20 0 IEADRO O=c1cc2[nH]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(Cl)cc-2[nH]1 ZINC001164737995 720830820 /nfs/dbraw/zinc/83/08/20/720830820.db2.gz DDVGGULOSFKVFR-SPYBWZPUSA-N 1 0 427.940 2.201 20 0 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O=c1ccccn1Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164746549 720849733 /nfs/dbraw/zinc/84/97/33/720849733.db2.gz OLDFSMGHOHUZOR-YTFSRNRJSA-N 1 0 445.571 2.263 20 0 IEADRO CN1CCc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2C1 ZINC001164748203 720857295 /nfs/dbraw/zinc/85/72/95/720857295.db2.gz LEMFUNAJFJENAI-ABSDTBQOSA-N 1 0 442.999 2.089 20 0 IEADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(C)sc4c(N4CCOCC4)n3)CC[C@@H]2C1 ZINC001164857517 720862967 /nfs/dbraw/zinc/86/29/67/720862967.db2.gz RBWHGZQOBWCXHX-MJGOQNOKSA-N 1 0 447.605 2.010 20 0 IEADRO COC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164754069 720875650 /nfs/dbraw/zinc/87/56/50/720875650.db2.gz QYGGUPKOJXHYRU-RDPSFJRHSA-N 1 0 437.544 2.413 20 0 IEADRO COC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164754067 720875899 /nfs/dbraw/zinc/87/58/99/720875899.db2.gz QYGGUPKOJXHYRU-HYBUGGRVSA-N 1 0 437.544 2.413 20 0 IEADRO 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WGWKNRPAGDKFPZ-UHFFFAOYSA-N 1 0 432.258 2.420 20 0 IEADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001164393207 718810006 /nfs/dbraw/zinc/81/00/06/718810006.db2.gz RJDZMHPXIWGCKX-UHFFFAOYSA-N 1 0 436.585 2.478 20 0 IEADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001164401911 718850269 /nfs/dbraw/zinc/85/02/69/718850269.db2.gz DKJBAQSYVSQEJQ-KUHUBIRLSA-N 1 0 438.862 2.050 20 0 IEADRO C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164406398 718863770 /nfs/dbraw/zinc/86/37/70/718863770.db2.gz GMXCDGVWLMQNHV-SJLPKXTDSA-N 1 0 443.617 2.217 20 0 IEADRO C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164406391 718863816 /nfs/dbraw/zinc/86/38/16/718863816.db2.gz GMXCDGVWLMQNHV-FUHWJXTLSA-N 1 0 443.617 2.217 20 0 IEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164434835 718970188 /nfs/dbraw/zinc/97/01/88/718970188.db2.gz WBAVVURWMVXUSD-OLZOCXBDSA-N 1 0 446.829 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CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(S(C)(=O)=O)c2)c2c1CC[NH2+]C2 ZINC001164685314 719654000 /nfs/dbraw/zinc/65/40/00/719654000.db2.gz ZCOYUDNBFKCBBW-UHFFFAOYSA-N 1 0 447.939 2.419 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c3CNC4)CC2)c2ccccc21 ZINC001164682956 719663435 /nfs/dbraw/zinc/66/34/35/719663435.db2.gz UFJFUSKEJFWGCO-GOSISDBHSA-N 1 0 434.588 2.173 20 0 IEADRO Cn1cnc2cnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164683248 719667139 /nfs/dbraw/zinc/66/71/39/719667139.db2.gz REHGSFMAEIXNRX-GOSISDBHSA-N 1 0 447.587 2.457 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)CC2 ZINC001164685272 719714787 /nfs/dbraw/zinc/71/47/87/719714787.db2.gz TYRXQNJPMFXQQY-UHFFFAOYSA-N 1 0 430.883 2.247 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3cc(OC)c(OC)cc3nc1Cl)CC2 ZINC001164686042 719721043 /nfs/dbraw/zinc/72/10/43/719721043.db2.gz OOWRDWXLUTXFTJ-UHFFFAOYSA-N 1 0 433.940 2.481 20 0 IEADRO O=C(c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1)N1CCOCC1 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COc1nc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894422 721429534 /nfs/dbraw/zinc/42/95/34/721429534.db2.gz MMXJEZVXKBIYAV-HNAYVOBHSA-N 1 0 445.942 2.449 20 0 IEADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164897096 721430083 /nfs/dbraw/zinc/43/00/83/721430083.db2.gz SNNQCWKGNALUBL-IIBYNOLFSA-N 1 0 437.972 2.072 20 0 IEADRO C[C@@H]1CCCN(c2cc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ncn2)C1 ZINC001164890306 721442663 /nfs/dbraw/zinc/44/26/63/721442663.db2.gz DJQDRIQMLNXZHT-PQNGQFLHSA-N 1 0 428.625 2.478 20 0 IEADRO COc1cc(OC)c2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890000 721451814 /nfs/dbraw/zinc/45/18/14/721451814.db2.gz QCLYUGUJZAAUKA-UUOWRZLLSA-N 1 0 441.576 2.412 20 0 IEADRO CCOC(=O)c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164790362 721453150 /nfs/dbraw/zinc/45/31/50/721453150.db2.gz YNSTWZMEYQUTDS-LJQANCHMSA-N 1 0 432.565 2.387 20 0 IEADRO 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721518253 /nfs/dbraw/zinc/51/82/53/721518253.db2.gz ZNBCSKDBXBRUFD-UHFFFAOYSA-N 1 0 432.576 2.194 20 0 IEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2c4c(nnc2Cl)CCC4)CC3)CC1 ZINC001164797163 721519280 /nfs/dbraw/zinc/51/92/80/721519280.db2.gz HQTRPPANYMPKEM-UHFFFAOYSA-N 1 0 437.926 2.128 20 0 IEADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)ncc4N4CCOCC4)CC[N@@H+]3C2)c1 ZINC001164903058 721536177 /nfs/dbraw/zinc/53/61/77/721536177.db2.gz BYOPUTUQDOSOLT-FUHWJXTLSA-N 1 0 433.915 2.448 20 0 IEADRO COCCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164799272 721588704 /nfs/dbraw/zinc/58/87/04/721588704.db2.gz AHGYWGQNGKTTQU-JAXLGGSGSA-N 1 0 426.517 2.148 20 0 IEADRO COCCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164799273 721588890 /nfs/dbraw/zinc/58/88/90/721588890.db2.gz AHGYWGQNGKTTQU-ONTIZHBOSA-N 1 0 426.517 2.148 20 0 IEADRO O=C([C@@H]1C[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1)N1CCOCC1 ZINC001164801677 721595195 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CCOC(=O)Cc1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981075 722112447 /nfs/dbraw/zinc/11/24/47/722112447.db2.gz SHKBWLCPLMEHTR-ROUUACIJSA-N 1 0 445.951 2.358 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(OC)c1 ZINC001164976366 722127965 /nfs/dbraw/zinc/12/79/65/722127965.db2.gz LJYIQWLMCOIIOL-RXVVDRJESA-N 1 0 426.517 2.389 20 0 IEADRO COCCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164972700 722153298 /nfs/dbraw/zinc/15/32/98/722153298.db2.gz JBLMMIOFPDUFLD-RTWAWAEBSA-N 1 0 426.517 2.007 20 0 IEADRO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977111 722157227 /nfs/dbraw/zinc/15/72/27/722157227.db2.gz XAUVNZJSKSVWQZ-OTWHNJEPSA-N 1 0 445.951 2.420 20 0 IEADRO CCOC(=O)c1cnc(SC)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000730 722250488 /nfs/dbraw/zinc/25/04/88/722250488.db2.gz KANKKFGUAORECX-UHFFFAOYSA-N 1 0 434.566 2.060 20 0 IEADRO CCOC(=O)c1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1OCC ZINC001165002354 722253353 /nfs/dbraw/zinc/25/33/53/722253353.db2.gz NXIDNANGJJUABN-UHFFFAOYSA-N 1 0 431.537 2.342 20 0 IEADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165001513 722255950 /nfs/dbraw/zinc/25/59/50/722255950.db2.gz AMQNCQXYWDCETJ-UHFFFAOYSA-N 1 0 447.927 2.083 20 0 IEADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001308479763 1126166742 /nfs/dbraw/zinc/16/67/42/1126166742.db2.gz MJYDMZKVNFKDHL-QGZVFWFLSA-N 1 0 431.327 2.319 20 0 IEADRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)ccc1OCC(=O)N1CCOCC1 ZINC001560494411 1126211262 /nfs/dbraw/zinc/21/12/62/1126211262.db2.gz KVJLXRWTLNSUPQ-QFIPXVFZSA-N 1 0 442.556 2.243 20 0 IEADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000033821920 563084798 /nfs/dbraw/zinc/08/47/98/563084798.db2.gz HMYTVUOGDLHWHO-SFHVURJKSA-N 1 0 438.594 2.169 20 0 aggregator IEADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415531 718885648 /nfs/dbraw/zinc/88/56/48/718885648.db2.gz JJPZWODXYOSSDT-UHFFFAOYSA-N 1 0 432.866 2.427 20 0 IEADRO Clc1nc2c(c(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164422707 718913596 /nfs/dbraw/zinc/91/35/96/718913596.db2.gz ACPPJRKVPSTUQP-QFIPXVFZSA-N 1 0 429.952 2.231 20 0 IEADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425635 718916726 /nfs/dbraw/zinc/91/67/26/718916726.db2.gz UJOKJDIHYSYFMO-GOSISDBHSA-N 1 0 425.867 2.322 20 0 IEADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164434569 718969900 /nfs/dbraw/zinc/96/99/00/718969900.db2.gz TVTUSXUFHVHWOU-ZIAGYGMSSA-N 1 0 428.789 2.384 20 0 IEADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164433092 718969912 /nfs/dbraw/zinc/96/99/12/718969912.db2.gz JSASUJMBRXFXKS-KBPBESRZSA-N 1 0 428.789 2.384 20 0 IEADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164433094 718970144 /nfs/dbraw/zinc/97/01/44/718970144.db2.gz JSASUJMBRXFXKS-UONOGXRCSA-N 1 0 428.789 2.384 20 0 IEADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001164617366 719011383 /nfs/dbraw/zinc/01/13/83/719011383.db2.gz NSGVEPLIVAOPFS-HTAPYJJXSA-N 1 0 433.984 2.267 20 0 IEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(CC)nc(N4CCOCC4)n3)CC2)CC1 ZINC001164617405 719029344 /nfs/dbraw/zinc/02/93/44/719029344.db2.gz LDUVWBLSZKPQTP-UHFFFAOYSA-N 1 0 431.581 2.120 20 0 IEADRO COc1nc(N2CCn3ccnc3C2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628514 719108887 /nfs/dbraw/zinc/10/88/87/719108887.db2.gz NICGXCVBNVNULH-PMACEKPBSA-N 1 0 446.559 2.198 20 0 IEADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164629702 719136604 /nfs/dbraw/zinc/13/66/04/719136604.db2.gz CFMFLBJUDMAQCN-MRXNPFEDSA-N 1 0 429.590 2.363 20 0 IEADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2ncccc2C[NH+]2CCCC2)C3)nn1 ZINC001164638306 719266438 /nfs/dbraw/zinc/26/64/38/719266438.db2.gz OIPHGAGPDQIHQI-YKSBVNFPSA-N 1 0 438.576 2.500 20 0 IEADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)nc1 ZINC001164644050 719284195 /nfs/dbraw/zinc/28/41/95/719284195.db2.gz ANDJAKNEYUOTKN-NRFANRHFSA-N 1 0 429.609 2.388 20 0 IEADRO O=C(CC1CC1)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@H]2CCCO[C@H]12 ZINC001164655128 719325306 /nfs/dbraw/zinc/32/53/06/719325306.db2.gz NVDGPNNMZGAKRJ-ROKPMTFOSA-N 1 0 428.577 2.456 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(C(N)=O)n3)CC2)c2ccccc21 ZINC001164681875 719673393 /nfs/dbraw/zinc/67/33/93/719673393.db2.gz NXIPZSNEYRYRKY-GOSISDBHSA-N 1 0 435.572 2.274 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164686598 719721746 /nfs/dbraw/zinc/72/17/46/719721746.db2.gz QDVZIVDJFWDHLX-UHFFFAOYSA-N 1 0 442.564 2.159 20 0 IEADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164684275 719726021 /nfs/dbraw/zinc/72/60/21/719726021.db2.gz GDJIVWGTHASSMA-UHFFFAOYSA-N 1 0 430.336 2.141 20 0 IEADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCC[C@H]4C(N)=O)ncn2)CC3)cs1 ZINC001164692067 719815052 /nfs/dbraw/zinc/81/50/52/719815052.db2.gz LEJRWMSIZYTVSZ-SFHVURJKSA-N 1 0 441.605 2.331 20 0 IEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]2O1 ZINC001164697875 719820006 /nfs/dbraw/zinc/82/00/06/719820006.db2.gz BJTWTUAONXAYBK-WTIAFYNJSA-N 1 0 435.572 2.415 20 0 IEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2O1 ZINC001164697871 719820139 /nfs/dbraw/zinc/82/01/39/719820139.db2.gz BJTWTUAONXAYBK-OIBXWCBGSA-N 1 0 435.572 2.415 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1C(=O)OCC ZINC001164814818 720093116 /nfs/dbraw/zinc/09/31/16/720093116.db2.gz WXLXBDGKDXVDPL-HXOBKFHXSA-N 1 0 446.548 2.015 20 0 IEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164710389 720135809 /nfs/dbraw/zinc/13/58/09/720135809.db2.gz ANTDCGCQFCFJOD-LJQANCHMSA-N 1 0 430.574 2.388 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1S(=O)(=O)N1CCCC1)C2 ZINC001164815896 720144073 /nfs/dbraw/zinc/14/40/73/720144073.db2.gz XCWBADXMDCEQPL-UGKGYDQZSA-N 1 0 434.606 2.051 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(N3CCC(C(=O)OC)CC3)n1)C2 ZINC001164811050 720146412 /nfs/dbraw/zinc/14/64/12/720146412.db2.gz KQFKNPUEEFNXHA-HYBUGGRVSA-N 1 0 443.592 2.051 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)nc(N3CCCCCC3)n1)C2 ZINC001164813035 720163230 /nfs/dbraw/zinc/16/32/30/720163230.db2.gz BYVDLRSNPBYNOC-WMZHIEFXSA-N 1 0 430.597 2.445 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712349 720164027 /nfs/dbraw/zinc/16/40/27/720164027.db2.gz FTZHRWZXKVZPDS-AWEZNQCLSA-N 1 0 427.887 2.020 20 0 IEADRO CCOC(=O)c1cnc(Cl)cc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164711887 720166124 /nfs/dbraw/zinc/16/61/24/720166124.db2.gz DGCHZIPXXMEMKG-SFHVURJKSA-N 1 0 448.955 2.256 20 0 IEADRO CCOC(=O)c1cnc(Cl)cc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164711882 720166899 /nfs/dbraw/zinc/16/68/99/720166899.db2.gz DGCHZIPXXMEMKG-GOSISDBHSA-N 1 0 448.955 2.256 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)C2 ZINC001164819071 720169744 /nfs/dbraw/zinc/16/97/44/720169744.db2.gz VVQRZPHUMTVJFE-NZQKXSOJSA-N 1 0 448.633 2.441 20 0 IEADRO Cn1nnc2c1CCN(c1cc(C(=O)OC(C)(C)C)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714436 720170951 /nfs/dbraw/zinc/17/09/51/720170951.db2.gz PEBZLOLGGDLWMY-LJQANCHMSA-N 1 0 442.564 2.382 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)C2 ZINC001164813613 720174293 /nfs/dbraw/zinc/17/42/93/720174293.db2.gz CNRUSSRMGLDCIA-XXBNENTESA-N 1 0 448.995 2.392 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)C2 ZINC001164813609 720174421 /nfs/dbraw/zinc/17/44/21/720174421.db2.gz CNRUSSRMGLDCIA-CVDCTZTESA-N 1 0 448.995 2.392 20 0 IEADRO Cn1nnc2c1CCN(c1nnc(Cl)c3c1CCCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717076 720179863 /nfs/dbraw/zinc/17/98/63/720179863.db2.gz KJIGXPMWYFQLRF-SFHVURJKSA-N 1 0 431.972 2.354 20 0 IEADRO Cn1nnc2c1CCN(c1ccc(C(=O)OC(C)(C)C)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717732 720181495 /nfs/dbraw/zinc/18/14/95/720181495.db2.gz LYNIEUWNLGGNIT-LJQANCHMSA-N 1 0 442.564 2.382 20 0 IEADRO Cn1nnc2c1CCN(c1nnc(Cl)c3cccnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164719152 720182749 /nfs/dbraw/zinc/18/27/49/720182749.db2.gz SOTIQSNIEDQMPQ-INIZCTEOSA-N 1 0 428.928 2.023 20 0 IEADRO Cn1nnc2c1CCN(c1cc(OCc3ccccc3)cnn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717064 720186769 /nfs/dbraw/zinc/18/67/69/720186769.db2.gz KEZDQZCFKMEWNX-JOCHJYFZSA-N 1 0 449.559 2.400 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cc(N)cc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719174 720187143 /nfs/dbraw/zinc/18/71/43/720187143.db2.gz TXDXOPPKZCZZBQ-HNNXBMFYSA-N 1 0 441.914 2.207 20 0 IEADRO CCOC(=O)c1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ccc1Cl ZINC001164713804 720192658 /nfs/dbraw/zinc/19/26/58/720192658.db2.gz DTWQZIXJDUNBNA-QGZVFWFLSA-N 1 0 448.955 2.256 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(N)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713766 720194904 /nfs/dbraw/zinc/19/49/04/720194904.db2.gz DCOCLOJOYKQURA-INIZCTEOSA-N 1 0 441.914 2.207 20 0 IEADRO Cc1cc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)nn1 ZINC001164715192 720197983 /nfs/dbraw/zinc/19/79/83/720197983.db2.gz JSIGSTJQNOWRPY-INIZCTEOSA-N 1 0 441.914 2.328 20 0 IEADRO Cn1nnc2c1CCN(c1ncnc(-c3cccc(F)c3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713917 720198664 /nfs/dbraw/zinc/19/86/64/720198664.db2.gz FHBVAYIKHOCJAW-LJQANCHMSA-N 1 0 438.511 2.022 20 0 IEADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c(C)nc2c1 ZINC001164717175 720199626 /nfs/dbraw/zinc/19/96/26/720199626.db2.gz UEAONNGDHIQJDC-OAQYLSRUSA-N 1 0 437.548 2.292 20 0 IEADRO Cn1nnc2c1CCN(c1ccc(COC3CCC3)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717663 720202811 /nfs/dbraw/zinc/20/28/11/720202811.db2.gz VVWLNJVDNXVKIG-OAQYLSRUSA-N 1 0 426.565 2.495 20 0 IEADRO COC(=O)c1cc(Cl)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1C ZINC001164716865 720204082 /nfs/dbraw/zinc/20/40/82/720204082.db2.gz GDCQRBIETMHWAQ-GOSISDBHSA-N 1 0 448.955 2.175 20 0 IEADRO CCCSc1ncnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1OC ZINC001164716841 720206263 /nfs/dbraw/zinc/20/62/63/720206263.db2.gz FWUMZLSUJDDZHR-QGZVFWFLSA-N 1 0 447.609 2.332 20 0 IEADRO CCOC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1OCC ZINC001164814760 720221585 /nfs/dbraw/zinc/22/15/85/720221585.db2.gz YODYSHNBVCBDOS-UHFFFAOYSA-N 1 0 443.548 2.464 20 0 IEADRO Cc1nc2c(nc(Cl)nc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1C ZINC001164812958 720234644 /nfs/dbraw/zinc/23/46/44/720234644.db2.gz LAZDNIWTNKTAEX-UHFFFAOYSA-N 1 0 430.944 2.132 20 0 IEADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)nc1 ZINC001164721431 720305197 /nfs/dbraw/zinc/30/51/97/720305197.db2.gz GYWGYHGGQLNBOO-XUZZJYLKSA-N 1 0 429.609 2.293 20 0 IEADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826339 720318432 /nfs/dbraw/zinc/31/84/32/720318432.db2.gz GHHMPVKJDRXJHB-UXHICEINSA-N 1 0 441.576 2.442 20 0 IEADRO 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C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(Cn3ccccc3=O)cn2)CC1 ZINC001164827788 720341613 /nfs/dbraw/zinc/34/16/13/720341613.db2.gz MRKAQABSJUFZGH-FCHUYYIVSA-N 1 0 435.572 2.203 20 0 IEADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825879 720355879 /nfs/dbraw/zinc/35/58/79/720355879.db2.gz JVADOEXQWXIVJK-QZTJIDSGSA-N 1 0 448.999 2.181 20 0 IEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c21 ZINC001164733261 720505495 /nfs/dbraw/zinc/50/54/95/720505495.db2.gz ZFWZUFGYVKYWLB-INIZCTEOSA-N 1 0 433.516 2.454 20 0 IEADRO CC[C@@H]1C(=O)Nc2cnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2N1C1CCCC1 ZINC001164729485 720514692 /nfs/dbraw/zinc/51/46/92/720514692.db2.gz OONLEGMAWAIYHE-QFBILLFUSA-N 1 0 438.580 2.351 20 0 IEADRO CCOC(=O)c1nnc(SC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837853 720524696 /nfs/dbraw/zinc/52/46/96/720524696.db2.gz PVNMDLRQXYIWPF-IXDOHACOSA-N 1 0 445.593 2.345 20 0 IEADRO 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CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164879669 721293787 /nfs/dbraw/zinc/29/37/87/721293787.db2.gz YWGHVLPWKBOATC-QGZVFWFLSA-N 1 0 428.581 2.478 20 0 IEADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(NC(N)=S)cn3)C2)C1 ZINC001164780749 721370378 /nfs/dbraw/zinc/37/03/78/721370378.db2.gz HBLJSVXXWIYYQL-OAQYLSRUSA-N 1 0 430.578 2.461 20 0 IEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)N4CCCC4)C3)O2)CC1 ZINC001164887399 721380909 /nfs/dbraw/zinc/38/09/09/721380909.db2.gz HZOCYDHZEBPIQG-RDPSFJRHSA-N 1 0 427.593 2.083 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892147 721389795 /nfs/dbraw/zinc/38/97/95/721389795.db2.gz RVZROACANMSIBI-NTKDMRAZSA-N 1 0 439.560 2.182 20 0 IEADRO COC(=O)c1ccc2cnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2c1 ZINC001164888042 721389917 /nfs/dbraw/zinc/38/99/17/721389917.db2.gz JDKBPZXLAITHFG-HYBUGGRVSA-N 1 0 439.560 2.182 20 0 IEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc6c(cc54)OCCO6)C3)O2)CC1 ZINC001164887363 721391694 /nfs/dbraw/zinc/39/16/94/721391694.db2.gz HWIFYXASABHHCU-KOSHJBKYSA-N 1 0 439.560 2.166 20 0 IEADRO COC(=O)c1c[nH]c2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc12 ZINC001164885287 721400304 /nfs/dbraw/zinc/40/03/04/721400304.db2.gz GRKXACPQFYIGNZ-UZUQRXQVSA-N 1 0 427.549 2.115 20 0 IEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(NC(=O)C(C)(C)C)nn4)C3)O2)CC1 ZINC001164890981 721410351 /nfs/dbraw/zinc/41/03/51/721410351.db2.gz UWDDFJOPVRGDAV-JPYJTQIMSA-N 1 0 430.597 2.227 20 0 IEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC(C)(C)C)cn4)C3)O2)CC1 ZINC001164886262 721412692 /nfs/dbraw/zinc/41/26/92/721412692.db2.gz INEKQJQZEVVREY-GBXCKJPGSA-N 1 0 429.609 2.375 20 0 IEADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164893067 721427008 /nfs/dbraw/zinc/42/70/08/721427008.db2.gz IXSDCRNPADIHME-JXKKUSOBSA-N 1 0 428.577 2.342 20 0 IEADRO COc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164890129 721451691 /nfs/dbraw/zinc/45/16/91/721451691.db2.gz QLRJTVFICZHGRK-DNVCBOLYSA-N 1 0 445.942 2.449 20 0 IEADRO COc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164890126 721451810 /nfs/dbraw/zinc/45/18/10/721451810.db2.gz QLRJTVFICZHGRK-BEFAXECRSA-N 1 0 445.942 2.449 20 0 IEADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164784956 721463357 /nfs/dbraw/zinc/46/33/57/721463357.db2.gz KZZPHIASXXNMIU-OAQYLSRUSA-N 1 0 446.592 2.316 20 0 IEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164785831 721464464 /nfs/dbraw/zinc/46/44/64/721464464.db2.gz NTQXNFCRRMHJTB-LJQANCHMSA-N 1 0 437.606 2.219 20 0 IEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc3c1C(=O)NC3=O)CC2 ZINC001164786307 721466993 /nfs/dbraw/zinc/46/69/93/721466993.db2.gz ASKXKWRUNARDMO-SFHVURJKSA-N 1 0 442.560 2.008 20 0 IEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)N(C)OC)ccn1)CC2 ZINC001164789521 721469446 /nfs/dbraw/zinc/46/94/46/721469446.db2.gz NNLPRMDVNKLQCL-NRFANRHFSA-N 1 0 446.592 2.449 20 0 IEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)nc(COC)n1)CC2 ZINC001164790109 721472064 /nfs/dbraw/zinc/47/20/64/721472064.db2.gz QYAYJUCZPJTBBC-LJQANCHMSA-N 1 0 434.581 2.366 20 0 IEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2nc(Cl)ncc2Cl)CC3)CC1 ZINC001164794833 721510704 /nfs/dbraw/zinc/51/07/04/721510704.db2.gz WTVIXHPOHPJDPO-UHFFFAOYSA-N 1 0 432.306 2.292 20 0 IEADRO CCc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164908099 721544388 /nfs/dbraw/zinc/54/43/88/721544388.db2.gz OQKQXBBPFIVCRG-TZIWHRDSSA-N 1 0 427.524 2.357 20 0 IEADRO CC(C)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906932 721553817 /nfs/dbraw/zinc/55/38/17/721553817.db2.gz LKIXRABZLGFLKC-HKUYNNGSSA-N 1 0 434.537 2.249 20 0 IEADRO O=S(=O)(NC1CC1)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164910219 721555052 /nfs/dbraw/zinc/55/50/52/721555052.db2.gz VZXPGEHDCJYLAK-MJGOQNOKSA-N 1 0 432.521 2.003 20 0 IEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCSCC3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164800133 721585572 /nfs/dbraw/zinc/58/55/72/721585572.db2.gz CEAWFLZWNDBOPY-JQVVWYNYSA-N 1 0 426.590 2.293 20 0 IEADRO FC1(F)CCN(c2ccnc(N3CCOCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908676 721714041 /nfs/dbraw/zinc/71/40/41/721714041.db2.gz YMBLAFPSTPGBIR-OAQYLSRUSA-N 1 0 430.503 2.446 20 0 IEADRO Cc1nc(-n2cncn2)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912161 721733097 /nfs/dbraw/zinc/73/30/97/721733097.db2.gz MEWFCCQSIRQSJP-HXUWFJFHSA-N 1 0 426.475 2.498 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CCN(c5cnccn5)C4)C3)n2)CC1 ZINC001164915132 721802706 /nfs/dbraw/zinc/80/27/06/721802706.db2.gz IHTCJISNBAHFTJ-NRFANRHFSA-N 1 0 429.519 2.366 20 0 IEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001165019528 721805726 /nfs/dbraw/zinc/80/57/26/721805726.db2.gz CRBHWSRBKLCINU-YTQUADARSA-N 1 0 443.983 2.494 20 0 IEADRO CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165024549 721823397 /nfs/dbraw/zinc/82/33/97/721823397.db2.gz KKIMJMQASAWCJZ-DZFGPLHGSA-N 1 0 429.590 2.464 20 0 IEADRO CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165024552 721823659 /nfs/dbraw/zinc/82/36/59/721823659.db2.gz KKIMJMQASAWCJZ-IOMROCGXSA-N 1 0 429.590 2.464 20 0 IEADRO COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5[C@H]4CC[N@@H+]5CCN(C)C)ccc-3c2=O)cc1 ZINC001164921959 721876713 /nfs/dbraw/zinc/87/67/13/721876713.db2.gz FJLXWOFEMFIDLU-DHIUTWEWSA-N 1 0 435.572 2.461 20 0 IEADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164933904 721879382 /nfs/dbraw/zinc/87/93/82/721879382.db2.gz OOJVCERCLIBTLU-RBUKOAKNSA-N 1 0 444.649 2.355 20 0 IEADRO 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CON(C)C(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971922 722121453 /nfs/dbraw/zinc/12/14/53/722121453.db2.gz DQPRERBWBNPLFH-HKUYNNGSSA-N 1 0 445.951 2.491 20 0 IEADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977280 722125388 /nfs/dbraw/zinc/12/53/88/722125388.db2.gz MMPKREQVMXRSJS-UONOGXRCSA-N 1 0 437.331 2.005 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(OC)c1 ZINC001164976368 722128021 /nfs/dbraw/zinc/12/80/21/722128021.db2.gz LJYIQWLMCOIIOL-WIYYLYMNSA-N 1 0 426.517 2.389 20 0 IEADRO Cc1nc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1C ZINC001164984631 722137567 /nfs/dbraw/zinc/13/75/67/722137567.db2.gz YBALBQCLBAPPHA-DLBZAZTESA-N 1 0 427.940 2.447 20 0 IEADRO O=C(NC1CCCC1)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973267 722147821 /nfs/dbraw/zinc/14/78/21/722147821.db2.gz BOHOXISPXCJBDD-SIKLNZKXSA-N 1 0 436.560 2.271 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)n4)CC[C@@H]32)cs1 ZINC001164988562 722183960 /nfs/dbraw/zinc/18/39/60/722183960.db2.gz KLWHCRCCFQKMIO-LEWJYISDSA-N 1 0 442.633 2.468 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]32)cs1 ZINC001164987400 722184373 /nfs/dbraw/zinc/18/43/73/722184373.db2.gz HQROLNJHVDESTR-LEWJYISDSA-N 1 0 428.606 2.126 20 0 IEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CCC2 ZINC001165000371 722253060 /nfs/dbraw/zinc/25/30/60/722253060.db2.gz PBYIJPFBIJPTEG-UHFFFAOYSA-N 1 0 449.559 2.048 20 0 IEADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)C1=O ZINC001165002602 722255629 /nfs/dbraw/zinc/25/56/29/722255629.db2.gz RKSMESSEHIMGQJ-UHFFFAOYSA-N 1 0 447.971 2.179 20 0 IEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c(Cl)ncnc31)CCC2 ZINC001165003475 722257334 /nfs/dbraw/zinc/25/73/34/722257334.db2.gz DXBSTJLPZZMDMC-UHFFFAOYSA-N 1 0 437.335 2.412 20 0 IEADRO Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)cs1 ZINC001165005279 722272251 /nfs/dbraw/zinc/27/22/51/722272251.db2.gz HSPOIIUNZWWVFR-LJQANCHMSA-N 1 0 444.605 2.338 20 0 IEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC001179277174 1126151728 /nfs/dbraw/zinc/15/17/28/1126151728.db2.gz BBCIRJZGZBIUPM-KRWDZBQOSA-N 1 0 431.327 2.319 20 0 IEADRO O=C1CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CC2(CC[NH2+]CC2)N1 ZINC001164391144 718809673 /nfs/dbraw/zinc/80/96/73/718809673.db2.gz FVTZSOADMQUFFA-UHFFFAOYSA-N 1 0 440.617 2.224 20 0 IEADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164393953 718829242 /nfs/dbraw/zinc/82/92/42/718829242.db2.gz XYJULGVHWWQWPJ-HNNXBMFYSA-N 1 0 437.878 2.126 20 0 IEADRO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4CCN5CC[NH2+]C[C@@H]5C4)nn3)cc-2n1 ZINC001164392552 718830192 /nfs/dbraw/zinc/83/01/92/718830192.db2.gz PMCCRTIIRXWADM-GOSISDBHSA-N 1 0 444.518 2.121 20 0 IEADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001164401910 718850422 /nfs/dbraw/zinc/85/04/22/718850422.db2.gz DKJBAQSYVSQEJQ-IFXJQAMLSA-N 1 0 438.862 2.050 20 0 IEADRO c1sc2nc(CN3CCOCC3)nc(N3CCOCC34C[NH2+]C4)c2c1-c1ccccc1 ZINC001164401235 718860538 /nfs/dbraw/zinc/86/05/38/718860538.db2.gz DICWWOSOTIQXHC-UHFFFAOYSA-N 1 0 437.569 2.369 20 0 IEADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164613884 719025257 /nfs/dbraw/zinc/02/52/57/719025257.db2.gz IVAAHUAVDJIRDK-UHFFFAOYSA-N 1 0 438.956 2.480 20 0 IEADRO Cn1cnc2c1nc(N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)nc2N1CCOCC1 ZINC001164627216 719069379 /nfs/dbraw/zinc/06/93/79/719069379.db2.gz PWTQBUFVJHKTOT-PMACEKPBSA-N 1 0 433.560 2.301 20 0 IEADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164635241 719136173 /nfs/dbraw/zinc/13/61/73/719136173.db2.gz WMSCQTRGOSZFCF-GDBMZVCRSA-N 1 0 429.590 2.363 20 0 IEADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2ncccc2C[NH+]2CCCC2)C3)nn1 ZINC001164638304 719266228 /nfs/dbraw/zinc/26/62/28/719266228.db2.gz OIPHGAGPDQIHQI-HYBUGGRVSA-N 1 0 438.576 2.500 20 0 IEADRO COCCN1CCN(C)C2(CCN(c3[nH+]ccc4cc(OC)c(OC)cc43)CC2)C1=O ZINC001164639917 719275687 /nfs/dbraw/zinc/27/56/87/719275687.db2.gz LVPOHHJDUYBHDL-UHFFFAOYSA-N 1 0 428.533 2.011 20 0 IEADRO COCCN1CCN(C)C2(CCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC2)C1=O ZINC001164644341 719281819 /nfs/dbraw/zinc/28/18/19/719281819.db2.gz JLRLOLBEGQVRDF-UHFFFAOYSA-N 1 0 428.533 2.011 20 0 IEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@H]12 ZINC001164653501 719320694 /nfs/dbraw/zinc/32/06/94/719320694.db2.gz NCHMGZWSXZBNAG-WMQCIHAUSA-N 1 0 425.533 2.388 20 0 IEADRO O=C(CC1CC1)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@H]2CCCO[C@H]21 ZINC001164655129 719325446 /nfs/dbraw/zinc/32/54/46/719325446.db2.gz NVDGPNNMZGAKRJ-YOSAUDMPSA-N 1 0 428.577 2.456 20 0 IEADRO O=C(CC1CC1)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@H]2CCCO[C@@H]21 ZINC001164655127 719325481 /nfs/dbraw/zinc/32/54/81/719325481.db2.gz NVDGPNNMZGAKRJ-REHUZNOOSA-N 1 0 428.577 2.456 20 0 IEADRO Cc1nc(CN2C(=O)CCC23CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)cs1 ZINC001164683571 719592125 /nfs/dbraw/zinc/59/21/25/719592125.db2.gz GSXYSYRLJMLWQW-UHFFFAOYSA-N 1 0 441.605 2.155 20 0 IEADRO CCC(C)(C)NS(=O)(=O)c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164680234 719640911 /nfs/dbraw/zinc/64/09/11/719640911.db2.gz SWPDYIAITDVXCJ-UHFFFAOYSA-N 1 0 434.610 2.220 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4c3C(=O)NC4)CC2)c2ccccc21 ZINC001164683195 719668965 /nfs/dbraw/zinc/66/89/65/719668965.db2.gz RCRJXQHUZZCOTI-IBGZPJMESA-N 1 0 447.583 2.418 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(C(N)=O)n3)CC2)c2ccccc21 ZINC001164681876 719673067 /nfs/dbraw/zinc/67/30/67/719673067.db2.gz NXIPZSNEYRYRKY-SFHVURJKSA-N 1 0 435.572 2.274 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3cc(C)sc3c(N3CCOCC3)n1)CC2 ZINC001164685500 719730165 /nfs/dbraw/zinc/73/01/65/719730165.db2.gz LSGHKMPOBBOPMU-UHFFFAOYSA-N 1 0 444.605 2.017 20 0 IEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2O1 ZINC001164699625 719819614 /nfs/dbraw/zinc/81/96/14/719819614.db2.gz HPHSTFHHBMGYJV-PUHATCMVSA-N 1 0 435.572 2.415 20 0 IEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)nc1)C1CC1 ZINC001164702653 719820264 /nfs/dbraw/zinc/82/02/64/719820264.db2.gz SSAMHDVQHYGLNL-UEVCKROQSA-N 1 0 435.572 2.414 20 0 IEADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)nc1 ZINC001164695122 719828946 /nfs/dbraw/zinc/82/89/46/719828946.db2.gz BREOLOFMTLPVHV-CTNGQTDRSA-N 1 0 426.565 2.224 20 0 IEADRO c1cnn(C[C@@H]2CC[C@@]3(COCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)O2)c1 ZINC001164809173 720049301 /nfs/dbraw/zinc/04/93/01/720049301.db2.gz ZDQOUHJHGUGJBI-NZQKXSOJSA-N 1 0 427.549 2.207 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1C(=O)OCC ZINC001164814820 720093145 /nfs/dbraw/zinc/09/31/45/720093145.db2.gz WXLXBDGKDXVDPL-UZUQRXQVSA-N 1 0 446.548 2.015 20 0 IEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCC(C(=O)OC)CC3)nn1)C2 ZINC001164809707 720137739 /nfs/dbraw/zinc/13/77/39/720137739.db2.gz IJGRABWWTNJSIP-RDPSFJRHSA-N 1 0 443.592 2.051 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)C2 ZINC001164812974 720163449 /nfs/dbraw/zinc/16/34/49/720163449.db2.gz BCHVPIKTEXDQMD-HYBUGGRVSA-N 1 0 441.624 2.257 20 0 IEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164813718 720167724 /nfs/dbraw/zinc/16/77/24/720167724.db2.gz DSMRWXURRQFOHL-KNQAVFIVSA-N 1 0 436.622 2.297 20 0 IEADRO CCOC(=O)/C=C/c1cccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164714134 720169199 /nfs/dbraw/zinc/16/91/99/720169199.db2.gz OXULCGVZHCFSBP-NDDJGDGRSA-N 1 0 440.548 2.003 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3cnccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717725 720174941 /nfs/dbraw/zinc/17/49/41/720174941.db2.gz LVYKKTNBUWQHNJ-KRWDZBQOSA-N 1 0 428.928 2.023 20 0 IEADRO Cc1cc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(Cl)n1 ZINC001164719635 720176385 /nfs/dbraw/zinc/17/63/85/720176385.db2.gz XLLKOENXVYZRDI-OAHLLOKOSA-N 1 0 441.914 2.328 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1S(=O)(=O)N1CCCCC1)C2 ZINC001164816268 720182923 /nfs/dbraw/zinc/18/29/23/720182923.db2.gz KNWOZDIUSUDWSA-OFNKIYASSA-N 1 0 448.633 2.441 20 0 IEADRO CCOC(=O)/C=C\c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164713810 720189219 /nfs/dbraw/zinc/18/92/19/720189219.db2.gz DVLNXBKHGYRXCB-XOYLTFLUSA-N 1 0 440.548 2.003 20 0 IEADRO CCCN(CCC)c1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ncn1 ZINC001164718483 720190740 /nfs/dbraw/zinc/19/07/40/720190740.db2.gz ZVISIWYCNLDKQV-FQEVSTJZSA-N 1 0 442.612 2.448 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1nccnc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716692 720193671 /nfs/dbraw/zinc/19/36/71/720193671.db2.gz RRDGMYNHSLUKKK-CQSZACIVSA-N 1 0 427.887 2.020 20 0 IEADRO Cc1cc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)nn1 ZINC001164715195 720197876 /nfs/dbraw/zinc/19/78/76/720197876.db2.gz JSIGSTJQNOWRPY-MRXNPFEDSA-N 1 0 441.914 2.328 20 0 IEADRO COc1cc(C)c2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164716152 720208127 /nfs/dbraw/zinc/20/81/27/720208127.db2.gz ASKQCPCTZKGOQR-HXUWFJFHSA-N 1 0 437.548 2.292 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc4c(cc31)OCCO4)CCC2 ZINC001164814038 720214488 /nfs/dbraw/zinc/21/44/88/720214488.db2.gz RZWKRAGLUGLEAI-UHFFFAOYSA-N 1 0 436.516 2.208 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)NC(C)(C)C)cn1)CCC2 ZINC001164812095 720223435 /nfs/dbraw/zinc/22/34/35/720223435.db2.gz DFYHUCBUMYUTQJ-UHFFFAOYSA-N 1 0 426.565 2.417 20 0 IEADRO COC(=O)/C=C\c1cc(C)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812151 720232186 /nfs/dbraw/zinc/23/21/86/720232186.db2.gz BWFHIFZDEVWYGR-FPLPWBNLSA-N 1 0 425.533 2.383 20 0 IEADRO COc1nc(Cl)ncc1C(F)(F)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813413 720233044 /nfs/dbraw/zinc/23/30/44/720233044.db2.gz OAGSJZDXAHKVGH-UHFFFAOYSA-N 1 0 442.898 2.491 20 0 IEADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)n2)cs1 ZINC001164816642 720255407 /nfs/dbraw/zinc/25/54/07/720255407.db2.gz LABJHZDVGVHSGE-RTBURBONSA-N 1 0 426.590 2.368 20 0 IEADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164721547 720291626 /nfs/dbraw/zinc/29/16/26/720291626.db2.gz KZPWRIVFPRFHPN-RUZDIDTESA-N 1 0 437.588 2.500 20 0 IEADRO COC(=O)c1ccc2cnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164828280 720300537 /nfs/dbraw/zinc/30/05/37/720300537.db2.gz ZSVFQVIJWVUHIN-SFTDATJTSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823140 720300669 /nfs/dbraw/zinc/30/06/69/720300669.db2.gz OSLZFMYSVMBPGO-SFTDATJTSA-N 1 0 437.544 2.328 20 0 IEADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164827365 720304509 /nfs/dbraw/zinc/30/45/09/720304509.db2.gz XCWJLFBVTLGWCA-MSOLQXFVSA-N 1 0 440.548 2.046 20 0 IEADRO COC(=O)c1cc2ccncc2nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830893 720322669 /nfs/dbraw/zinc/32/26/69/720322669.db2.gz QJVMPKCUCGYUOA-RTWAWAEBSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1cc2ccncc2nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830894 720322889 /nfs/dbraw/zinc/32/28/89/720322889.db2.gz QJVMPKCUCGYUOA-SFTDATJTSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)CSc1cccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827173 720332801 /nfs/dbraw/zinc/33/28/01/720332801.db2.gz HACUZKZSBXRDIY-ZWKOTPCHSA-N 1 0 432.590 2.258 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC001164827943 720345319 /nfs/dbraw/zinc/34/53/19/720345319.db2.gz NEDAVJCBLKJAEX-SFTDATJTSA-N 1 0 440.592 2.061 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC001164827941 720345701 /nfs/dbraw/zinc/34/57/01/720345701.db2.gz NEDAVJCBLKJAEX-NHCUHLMSSA-N 1 0 440.592 2.061 20 0 IEADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc(-n5ccnc5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164826941 720382611 /nfs/dbraw/zinc/38/26/11/720382611.db2.gz YWDNFIHHBKLFJC-UHFFFAOYSA-N 1 0 437.573 2.345 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)N4CCCCC4)C3)n2)CC1 ZINC001164835699 720501358 /nfs/dbraw/zinc/50/13/58/720501358.db2.gz ZWGCNMQBMDBTEX-NJYVYQBISA-N 1 0 427.593 2.077 20 0 IEADRO CCOC(=O)c1cnc(OC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836380 720536187 /nfs/dbraw/zinc/53/61/87/720536187.db2.gz JTACQLMHLVOMSB-ZIFCJYIRSA-N 1 0 428.537 2.236 20 0 IEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(CN4C(=O)CCC4=O)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835052 720570444 /nfs/dbraw/zinc/57/04/44/720570444.db2.gz GVACYTVKITVYDG-QHAWAJNXSA-N 1 0 436.560 2.305 20 0 IEADRO COC(OC)c1c(CO)ccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840105 720581554 /nfs/dbraw/zinc/58/15/54/720581554.db2.gz 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722061093 /nfs/dbraw/zinc/06/10/93/722061093.db2.gz PTIXTUWGYHKLEC-UHFFFAOYSA-N 1 0 425.533 2.229 20 0 IEADRO Cc1ccc(N(c2ccc(N3CCN(C)CC3)nn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968254 722078702 /nfs/dbraw/zinc/07/87/02/722078702.db2.gz XVIZOIMUAYDFRH-UHFFFAOYSA-N 1 0 430.560 2.485 20 0 IEADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980468 722125340 /nfs/dbraw/zinc/12/53/40/722125340.db2.gz RGBLTDQVGCVIQH-UYAOXDASSA-N 1 0 426.517 2.389 20 0 IEADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973212 722133932 /nfs/dbraw/zinc/13/39/32/722133932.db2.gz BMJYWYIBFVPBLH-TZIWHRDSSA-N 1 0 425.533 2.146 20 0 IEADRO COC(=O)CSc1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983814 722134811 /nfs/dbraw/zinc/13/48/11/722134811.db2.gz VIHDIEAVAHHYQL-RTBURBONSA-N 1 0 428.558 2.469 20 0 IEADRO CN1CCc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2C1 ZINC001164972669 722153986 /nfs/dbraw/zinc/15/39/86/722153986.db2.gz IVWGKYFPFPZPLN-PXNSSMCTSA-N 1 0 428.968 2.240 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[C@H]32)cs1 ZINC001164988931 722174534 /nfs/dbraw/zinc/17/45/34/722174534.db2.gz SFWYQNZDLVASGQ-MSOLQXFVSA-N 1 0 434.997 2.410 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[C@H]32)cs1 ZINC001164984873 722177360 /nfs/dbraw/zinc/17/73/60/722177360.db2.gz GQUUPCMRIRXALK-MSOLQXFVSA-N 1 0 434.997 2.410 20 0 IEADRO CON(C)C(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165001517 722254169 /nfs/dbraw/zinc/25/41/69/722254169.db2.gz ATHGNASIJWOCDV-UHFFFAOYSA-N 1 0 436.944 2.053 20 0 IEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)COc1ccc(Cl)nn1)CCC2 ZINC001165004272 722256489 /nfs/dbraw/zinc/25/64/89/722256489.db2.gz PCASMRLUKWSECP-UHFFFAOYSA-N 1 0 430.887 2.282 20 0 IEADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004149 722258231 /nfs/dbraw/zinc/25/82/31/722258231.db2.gz NVVCOHWAGWXOPJ-CQSZACIVSA-N 1 0 436.944 2.092 20 0 IEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC001474000053 1126201483 /nfs/dbraw/zinc/20/14/83/1126201483.db2.gz YVQTVTYOXSOTQR-HOTGVXAUSA-N 1 0 436.965 2.379 20 0 IEADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001560532336 1126211851 /nfs/dbraw/zinc/21/18/51/1126211851.db2.gz HTUHQSASYKFKAC-NRFANRHFSA-N 1 0 449.393 2.337 20 0 IEADRO NS(=O)(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001560930765 1126214219 /nfs/dbraw/zinc/21/42/19/1126214219.db2.gz NIYKRFRLNCYZKR-SFHVURJKSA-N 1 0 425.348 2.106 20 0 IEADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 ZINC001620625380 1126242557 /nfs/dbraw/zinc/24/25/57/1126242557.db2.gz SEBNNNTYXIKOEX-QHCPKHFHSA-N 1 0 431.485 2.360 20 0 IEADRO O=C1CN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CC2(CC[NH2+]CC2)N1 ZINC001164392643 718809614 /nfs/dbraw/zinc/80/96/14/718809614.db2.gz NBUPNKHIIGJURV-UHFFFAOYSA-N 1 0 440.617 2.224 20 0 IEADRO COc1ccccc1-c1cc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)c(Cl)nn1 ZINC001164394054 718809841 /nfs/dbraw/zinc/80/98/41/718809841.db2.gz WTWHRPQAENRBJG-UHFFFAOYSA-N 1 0 437.878 2.409 20 0 IEADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5C[NH2+]C[C@@]5(CO)C3)n2)CCC4)CC1 ZINC001164409219 718853288 /nfs/dbraw/zinc/85/32/88/718853288.db2.gz UQSINANEXZZSFI-MWTRTKDXSA-N 1 0 427.618 2.430 20 0 IEADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCNC(=O)C45C[NH2+]C5)c32)C1 ZINC001164411271 718878978 /nfs/dbraw/zinc/87/89/78/718878978.db2.gz PBKFCFCWDDYCHW-HNNXBMFYSA-N 1 0 440.617 2.080 20 0 IEADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164432026 718971218 /nfs/dbraw/zinc/97/12/18/718971218.db2.gz DUMGRIDJAUXIKP-KBPBESRZSA-N 1 0 428.789 2.384 20 0 IEADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164434605 718971676 /nfs/dbraw/zinc/97/16/76/718971676.db2.gz UIKICZZXBDBAAB-KGLIPLIRSA-N 1 0 429.773 2.040 20 0 IEADRO CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164618159 719006315 /nfs/dbraw/zinc/00/63/15/719006315.db2.gz ZKYSLCLLLRCMNS-UHFFFAOYSA-N 1 0 438.866 2.445 20 0 IEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4c(nn3)CCN(C(=O)OCC)C4)CC2)CC1 ZINC001164618631 719032187 /nfs/dbraw/zinc/03/21/87/719032187.db2.gz WONZQDCXOMRMFV-UHFFFAOYSA-N 1 0 445.564 2.235 20 0 IEADRO O=S(=O)(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC001164630920 719087951 /nfs/dbraw/zinc/08/79/51/719087951.db2.gz XNXUVOPKPFVROS-SFTDATJTSA-N 1 0 442.585 2.203 20 0 IEADRO O=S(=O)(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC001164630919 719088422 /nfs/dbraw/zinc/08/84/22/719088422.db2.gz XNXUVOPKPFVROS-RTWAWAEBSA-N 1 0 442.585 2.203 20 0 IEADRO COc1nc(N2CCn3ccnc3C2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628533 719108418 /nfs/dbraw/zinc/10/84/18/719108418.db2.gz NICGXCVBNVNULH-VQTJNVASSA-N 1 0 446.559 2.198 20 0 IEADRO CN1CCN(c2nccc(N(c3cccc(F)c3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)CC1 ZINC001164652355 719297028 /nfs/dbraw/zinc/29/70/28/719297028.db2.gz MWKHPXMDMIMZRN-REWPJTCUSA-N 1 0 426.540 2.417 20 0 IEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)C[C@@H]2CCCO[C@H]12 ZINC001164655446 719320357 /nfs/dbraw/zinc/32/03/57/719320357.db2.gz XJWQWJDKOWRGEN-WEYGHZABSA-N 1 0 425.533 2.386 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C(N)=O)ccn3)CC2)c2ccccc21 ZINC001164683537 719657368 /nfs/dbraw/zinc/65/73/68/719657368.db2.gz VTGMOGQEQIROAO-LJQANCHMSA-N 1 0 435.572 2.274 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C(N)=O)ccn3)CC2)c2ccccc21 ZINC001164683530 719657466 /nfs/dbraw/zinc/65/74/66/719657466.db2.gz VTGMOGQEQIROAO-IBGZPJMESA-N 1 0 435.572 2.274 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164686514 719726497 /nfs/dbraw/zinc/72/64/97/719726497.db2.gz OWCYRDKHTJOYQI-UHFFFAOYSA-N 1 0 430.883 2.247 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)CC2 ZINC001164685508 719737624 /nfs/dbraw/zinc/73/76/24/719737624.db2.gz LTVFCKPINJXSMY-UHFFFAOYSA-N 1 0 430.883 2.247 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164689384 719739260 /nfs/dbraw/zinc/73/92/60/719739260.db2.gz DMNDIKHKPOMLSU-UHFFFAOYSA-N 1 0 430.883 2.247 20 0 IEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2O1 ZINC001164699621 719819704 /nfs/dbraw/zinc/81/97/04/719819704.db2.gz HPHSTFHHBMGYJV-AKIFATBCSA-N 1 0 435.572 2.415 20 0 IEADRO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164695838 719835284 /nfs/dbraw/zinc/83/52/84/719835284.db2.gz PLLJVXHGICCHNJ-HXUWFJFHSA-N 1 0 449.559 2.400 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1C(=O)OCC ZINC001164814819 720092404 /nfs/dbraw/zinc/09/24/04/720092404.db2.gz WXLXBDGKDXVDPL-SBUREZEXSA-N 1 0 446.548 2.015 20 0 IEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164714224 720110297 /nfs/dbraw/zinc/11/02/97/720110297.db2.gz ATHWBNHLOYXOMU-MRXNPFEDSA-N 1 0 430.940 2.131 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C(N)=O)n1)CC2 ZINC001164715514 720110843 /nfs/dbraw/zinc/11/08/43/720110843.db2.gz GWKDRNYNNMAZBL-INIZCTEOSA-N 1 0 430.940 2.131 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc3c1C(=O)NC3=O)CC2 ZINC001164714736 720138910 /nfs/dbraw/zinc/13/89/10/720138910.db2.gz YLEMNENIAXWQJJ-SFHVURJKSA-N 1 0 435.528 2.176 20 0 IEADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164816715 720151663 /nfs/dbraw/zinc/15/16/63/720151663.db2.gz MFTLYFAXYYLLMF-UZUQRXQVSA-N 1 0 427.549 2.330 20 0 IEADRO CNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711858 720156091 /nfs/dbraw/zinc/15/60/91/720156091.db2.gz CYWTUHIOPWSOFL-KRWDZBQOSA-N 1 0 444.967 2.392 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)nc(N3CCCCCC3)n1)C2 ZINC001164813033 720162255 /nfs/dbraw/zinc/16/22/55/720162255.db2.gz BYVDLRSNPBYNOC-AUSIDOKSSA-N 1 0 430.597 2.445 20 0 IEADRO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164711878 720168219 /nfs/dbraw/zinc/16/82/19/720168219.db2.gz DCFDLZRSLLMKBV-OAHLLOKOSA-N 1 0 441.914 2.328 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3cccnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714699 720173244 /nfs/dbraw/zinc/17/32/44/720173244.db2.gz RQCCQIPQFFXMSX-INIZCTEOSA-N 1 0 428.928 2.023 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3ncsc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718329 720182769 /nfs/dbraw/zinc/18/27/69/720182769.db2.gz OQWXUGNVPHPWSO-CYBMUJFWSA-N 1 0 434.957 2.084 20 0 IEADRO Cn1nnc2c1CCN(c1ncnc3cc(Cl)cnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718781 720187519 /nfs/dbraw/zinc/18/75/19/720187519.db2.gz QZTYZDCUMUWBOD-QGZVFWFLSA-N 1 0 428.928 2.023 20 0 IEADRO COc1ccc(-c2cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ncn2)cc1 ZINC001164715260 720198882 /nfs/dbraw/zinc/19/88/82/720198882.db2.gz KHPRYAYUFINFIC-JOCHJYFZSA-N 1 0 449.559 2.497 20 0 IEADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c(C)nc2c1 ZINC001164717174 720199819 /nfs/dbraw/zinc/19/98/19/720199819.db2.gz UEAONNGDHIQJDC-NRFANRHFSA-N 1 0 437.548 2.292 20 0 IEADRO Cn1nnc2c1CCN(c1cncc(N3CCCCCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717075 720200371 /nfs/dbraw/zinc/20/03/71/720200371.db2.gz RXOPTVLEHLHUHK-FQEVSTJZSA-N 1 0 440.596 2.202 20 0 IEADRO Cn1nnc2c1CCN(c1cncc(OCC3CCCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164720020 720204679 /nfs/dbraw/zinc/20/46/79/720204679.db2.gz VGERRHOSOXQNIV-FQEVSTJZSA-N 1 0 441.580 2.390 20 0 IEADRO CSc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(SC)n1 ZINC001164716337 720205987 /nfs/dbraw/zinc/20/59/87/720205987.db2.gz BTVHNYKMMMYPBB-HNNXBMFYSA-N 1 0 435.623 2.265 20 0 IEADRO CCOC(=O)/C=C/c1cccnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814205 720211359 /nfs/dbraw/zinc/21/13/59/720211359.db2.gz UGDMXHHHMPIAOS-MDZDMXLPSA-N 1 0 425.533 2.465 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)NC(C)(C)C)ccn1)CCC2 ZINC001164812155 720230637 /nfs/dbraw/zinc/23/06/37/720230637.db2.gz BYKYAEQIJLVHLT-UHFFFAOYSA-N 1 0 426.565 2.417 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820106 720290704 /nfs/dbraw/zinc/29/07/04/720290704.db2.gz GSXYUNAFRLLRHW-IRXDYDNUSA-N 1 0 435.956 2.218 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820109 720290772 /nfs/dbraw/zinc/29/07/72/720290772.db2.gz GSXYUNAFRLLRHW-SJORKVTESA-N 1 0 435.956 2.218 20 0 IEADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164826532 720300864 /nfs/dbraw/zinc/30/08/64/720300864.db2.gz VLYGUIWJCNWXPK-LEWJYISDSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164819188 720301000 /nfs/dbraw/zinc/30/10/00/720301000.db2.gz CWTCYWPCUIQOEC-LEWJYISDSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830891 720322175 /nfs/dbraw/zinc/32/21/75/720322175.db2.gz QJVMPKCUCGYUOA-LEWJYISDSA-N 1 0 437.544 2.328 20 0 IEADRO COc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827132 720324841 /nfs/dbraw/zinc/32/48/41/720324841.db2.gz GXOFSFXRQLVBCA-PMACEKPBSA-N 1 0 436.560 2.459 20 0 IEADRO COC(=O)CSc1cccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827161 720332501 /nfs/dbraw/zinc/33/25/01/720332501.db2.gz HACUZKZSBXRDIY-MSOLQXFVSA-N 1 0 432.590 2.258 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ccc2S(C)(=O)=O)CC1 ZINC001164828482 720334952 /nfs/dbraw/zinc/33/49/52/720334952.db2.gz JVHHAQQIPURRPT-HOTGVXAUSA-N 1 0 440.997 2.050 20 0 IEADRO CN(C)C(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164828648 720341475 /nfs/dbraw/zinc/34/14/75/720341475.db2.gz OZGMALLLGNAZHO-RBUKOAKNSA-N 1 0 433.984 2.348 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC001164827940 720345457 /nfs/dbraw/zinc/34/54/57/720345457.db2.gz NEDAVJCBLKJAEX-LEWJYISDSA-N 1 0 440.592 2.061 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC1 ZINC001164822902 720355242 /nfs/dbraw/zinc/35/52/42/720355242.db2.gz GDVDBPBYWGOAJM-SJORKVTESA-N 1 0 428.911 2.430 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1C(=O)OCC ZINC001164723197 720357039 /nfs/dbraw/zinc/35/70/39/720357039.db2.gz HOQVAZPVVKNDLV-QZTJIDSGSA-N 1 0 425.489 2.078 20 0 IEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832358 720511835 /nfs/dbraw/zinc/51/18/35/720511835.db2.gz ACXPCGPOEXLOIG-FDFHNCONSA-N 1 0 438.576 2.128 20 0 IEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832357 720512483 /nfs/dbraw/zinc/51/24/83/720512483.db2.gz ACXPCGPOEXLOIG-BHIFYINESA-N 1 0 438.576 2.128 20 0 IEADRO CC[C@H]1C(=O)Nc2cnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2N1C1CCCC1 ZINC001164729483 720514463 /nfs/dbraw/zinc/51/44/63/720514463.db2.gz OONLEGMAWAIYHE-LPHOPBHVSA-N 1 0 438.580 2.351 20 0 IEADRO Cc1cc2nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc(N3CCOCC3)c2s1 ZINC001164731410 720518802 /nfs/dbraw/zinc/51/88/02/720518802.db2.gz XBQRPIOLKYTMJY-INIZCTEOSA-N 1 0 427.578 2.231 20 0 IEADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164735634 720520501 /nfs/dbraw/zinc/52/05/01/720520501.db2.gz ZHIQHXMQQUIRST-OAHLLOKOSA-N 1 0 428.537 2.247 20 0 IEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)C1 ZINC001164735153 720526468 /nfs/dbraw/zinc/52/64/68/720526468.db2.gz VFJUQGGGFKDLBV-GFCCVEGCSA-N 1 0 432.941 2.233 20 0 IEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)nc(Cl)nc3C(N)=O)CC[C@@H]21 ZINC001164838570 720556606 /nfs/dbraw/zinc/55/66/06/720556606.db2.gz OPIDWKVONPKOCP-RDBSUJKOSA-N 1 0 438.363 2.457 20 0 IEADRO COC(=O)c1cc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2n1C ZINC001164844142 720592323 /nfs/dbraw/zinc/59/23/23/720592323.db2.gz ZAWUQGLCPGXKSU-GUDVDZBRSA-N 1 0 437.548 2.329 20 0 IEADRO 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CCOC(=O)c1c(Cl)cc(C)nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796605 721508602 /nfs/dbraw/zinc/50/86/02/721508602.db2.gz TYVHRKJYSDRQOC-UHFFFAOYSA-N 1 0 432.956 2.184 20 0 IEADRO COc1ccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c(Cl)nc2c1 ZINC001164795001 721512525 /nfs/dbraw/zinc/51/25/25/721512525.db2.gz ZTISFFHJIQHDPH-UHFFFAOYSA-N 1 0 427.940 2.256 20 0 IEADRO COc1cc2c(cc1Cl)ncnc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794199 721513702 /nfs/dbraw/zinc/51/37/02/721513702.db2.gz KJVXAAKHINHFFB-UHFFFAOYSA-N 1 0 427.940 2.256 20 0 IEADRO CN(C)c1ccc(-c2ccnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)n2)cc1 ZINC001164799062 721517590 /nfs/dbraw/zinc/51/75/90/721517590.db2.gz WEGPHPVMAJOVBS-UHFFFAOYSA-N 1 0 432.576 2.174 20 0 IEADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)ncc4N4CCOCC4)CC[N@@H+]3C2)c1 ZINC001164903062 721535507 /nfs/dbraw/zinc/53/55/07/721535507.db2.gz BYOPUTUQDOSOLT-WMZOPIPTSA-N 1 0 433.915 2.448 20 0 IEADRO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164800081 721586692 /nfs/dbraw/zinc/58/66/92/721586692.db2.gz BSLDCGSTNOYDRK-IMSXRSKXSA-N 1 0 438.576 2.118 20 0 IEADRO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164800082 721587232 /nfs/dbraw/zinc/58/72/32/721587232.db2.gz BSLDCGSTNOYDRK-LGVFNWMJSA-N 1 0 438.576 2.118 20 0 IEADRO O=C([C@@H]1C[C@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1)N1CCOCC1 ZINC001164801664 721595204 /nfs/dbraw/zinc/59/52/04/721595204.db2.gz RZBGUUQFFMYDAQ-HJOGWXRNSA-N 1 0 448.567 2.235 20 0 IEADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2cccc(OCC[NH+]3CCCC3)n2)C1 ZINC001164803120 721606559 /nfs/dbraw/zinc/60/65/59/721606559.db2.gz IZVAIVZYVFMQKC-XMMPIXPASA-N 1 0 438.576 2.399 20 0 IEADRO CCOC(=O)c1ccc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165010145 721737690 /nfs/dbraw/zinc/73/76/90/721737690.db2.gz CDNZOLNWRZLBLK-UHFFFAOYSA-N 1 0 425.533 2.330 20 0 IEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(N4CCOCC4)n3)C[C@H]21 ZINC001165019527 721805799 /nfs/dbraw/zinc/80/57/99/721805799.db2.gz CRBHWSRBKLCINU-QXAKKESOSA-N 1 0 443.983 2.494 20 0 IEADRO CCN(C)c1cc(C)[nH+]c(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)n1 ZINC001164919255 721822465 /nfs/dbraw/zinc/82/24/65/721822465.db2.gz OOQCKLRUDURMDP-OAQYLSRUSA-N 1 0 432.594 2.114 20 0 IEADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nc2N1C1CCCC1 ZINC001164924927 721863335 /nfs/dbraw/zinc/86/33/35/721863335.db2.gz MBLUMXYRLLVQMX-AABGKKOBSA-N 1 0 441.624 2.195 20 0 IEADRO CN(C)C(=O)c1cc2cnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nc2n1C1CCCC1 ZINC001164924734 721863814 /nfs/dbraw/zinc/86/38/14/721863814.db2.gz LJOUTFHSWQVFCN-UXHICEINSA-N 1 0 439.608 2.463 20 0 IEADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164933899 721879098 /nfs/dbraw/zinc/87/90/98/721879098.db2.gz OOJVCERCLIBTLU-MOPGFXCFSA-N 1 0 444.649 2.355 20 0 IEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc5c(n4)N(C)[C@H](C)C(=O)N5)CC3)C2)cc1 ZINC001164938913 721926799 /nfs/dbraw/zinc/92/67/99/721926799.db2.gz BCLULAMQOBMFKN-GOSISDBHSA-N 1 0 436.560 2.433 20 0 IEADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001164943878 721963496 /nfs/dbraw/zinc/96/34/96/721963496.db2.gz GSUIBBGTWOWRRT-FGZHOGPDSA-N 1 0 427.549 2.154 20 0 IEADRO O=C(N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164951872 722001050 /nfs/dbraw/zinc/00/10/50/722001050.db2.gz OHTHFEIYUGQPFJ-HGHGUNKESA-N 1 0 443.573 2.179 20 0 IEADRO CCOC(=O)c1ncnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C ZINC001164964769 722056869 /nfs/dbraw/zinc/05/68/69/722056869.db2.gz XQSAMCSUNJAARF-UHFFFAOYSA-N 1 0 425.533 2.476 20 0 IEADRO Cc1cncc(COCc2cnc3n2CCN(c2ccc(N4CC[NH+](C)CC4)nn2)[C@@H]3C)c1 ZINC001164964607 722062828 /nfs/dbraw/zinc/06/28/28/722062828.db2.gz HOHPUNYACMJNCM-LJQANCHMSA-N 1 0 448.575 2.426 20 0 IEADRO CC(=O)N1[C@@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164968444 722080801 /nfs/dbraw/zinc/08/08/01/722080801.db2.gz AXZBAXMFCHUSST-FDFHNCONSA-N 1 0 438.576 2.269 20 0 IEADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984299 722100078 /nfs/dbraw/zinc/10/00/78/722100078.db2.gz SEBGMAARHLURGP-IEBWSBKVSA-N 1 0 443.573 2.498 20 0 IEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981077 722111987 /nfs/dbraw/zinc/11/19/87/722111987.db2.gz SHKBWLCPLMEHTR-ZWKOTPCHSA-N 1 0 445.951 2.358 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975574 722119826 /nfs/dbraw/zinc/11/98/26/722119826.db2.gz JVGDKYSBFNKQEP-MJGOQNOKSA-N 1 0 445.951 2.358 20 0 IEADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977273 722125144 /nfs/dbraw/zinc/12/51/44/722125144.db2.gz MMPKREQVMXRSJS-KBPBESRZSA-N 1 0 437.331 2.005 20 0 IEADRO COC(=O)CSc1cccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983813 722134996 /nfs/dbraw/zinc/13/49/96/722134996.db2.gz VIHDIEAVAHHYQL-RBUKOAKNSA-N 1 0 428.558 2.469 20 0 IEADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982171 722136749 /nfs/dbraw/zinc/13/67/49/722136749.db2.gz REODEQBOOODTTP-IRXDYDNUSA-N 1 0 431.924 2.429 20 0 IEADRO O=c1ccccn1Cc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164985548 722143894 /nfs/dbraw/zinc/14/38/94/722143894.db2.gz ZUDLXXNFZPAIGR-XZOQPEGZSA-N 1 0 431.540 2.414 20 0 IEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCSCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164972770 722149530 /nfs/dbraw/zinc/14/95/30/722149530.db2.gz ALTRRWUNQNCMCA-UXHICEINSA-N 1 0 426.590 2.152 20 0 IEADRO CN1CCc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2C1 ZINC001164972677 722153913 /nfs/dbraw/zinc/15/39/13/722153913.db2.gz IVWGKYFPFPZPLN-YLJYHZDGSA-N 1 0 428.968 2.240 20 0 IEADRO CN1CCc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2C1 ZINC001164972665 722154212 /nfs/dbraw/zinc/15/42/12/722154212.db2.gz IVWGKYFPFPZPLN-FXAWDEMLSA-N 1 0 428.968 2.240 20 0 IEADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975382 722158031 /nfs/dbraw/zinc/15/80/31/722158031.db2.gz SSVGNMSCHDCPPN-HKUYNNGSSA-N 1 0 444.967 2.392 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[C@H]32)cs1 ZINC001164988932 722174577 /nfs/dbraw/zinc/17/45/77/722174577.db2.gz SFWYQNZDLVASGQ-QZTJIDSGSA-N 1 0 434.997 2.410 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]32)cs1 ZINC001164987403 722184433 /nfs/dbraw/zinc/18/44/33/722184433.db2.gz HQROLNJHVDESTR-SFTDATJTSA-N 1 0 428.606 2.126 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]32)cs1 ZINC001164987402 722184486 /nfs/dbraw/zinc/18/44/86/722184486.db2.gz HQROLNJHVDESTR-RTWAWAEBSA-N 1 0 428.606 2.126 20 0 IEADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999551 722251308 /nfs/dbraw/zinc/25/13/08/722251308.db2.gz BLHDAZISISPRQO-UHFFFAOYSA-N 1 0 443.930 2.426 20 0 IEADRO COc1cc2ncc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2cc1OC ZINC001165000344 722253075 /nfs/dbraw/zinc/25/30/75/722253075.db2.gz OPSXVDQHCSGHKB-UHFFFAOYSA-N 1 0 426.521 2.332 20 0 IEADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001535 722255126 /nfs/dbraw/zinc/25/51/26/722255126.db2.gz BEDSSKOQVOSAJU-AATRIKPKSA-N 1 0 438.532 2.434 20 0 IEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CCC2 ZINC001165001905 722255131 /nfs/dbraw/zinc/25/51/31/722255131.db2.gz IPXCEPPTAGCNFP-UHFFFAOYSA-N 1 0 444.580 2.244 20 0 IEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001308466095 1126166228 /nfs/dbraw/zinc/16/62/28/1126166228.db2.gz ZVZNOQASRWNTJN-INIZCTEOSA-N 1 0 431.377 2.168 20 0 IEADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OC ZINC001473840004 1126200469 /nfs/dbraw/zinc/20/04/69/1126200469.db2.gz OKBYJLIHXGVAIK-HSZRJFAPSA-N 1 0 443.500 2.453 20 0 IEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)o1 ZINC001560183751 1126209486 /nfs/dbraw/zinc/20/94/86/1126209486.db2.gz WOYHZVQERJQNHC-QGZVFWFLSA-N 1 0 431.352 2.376 20 0 IEADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001164401912 718850202 /nfs/dbraw/zinc/85/02/02/718850202.db2.gz DKJBAQSYVSQEJQ-LIRRHRJNSA-N 1 0 438.862 2.050 20 0 IEADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCOCC34C[NH2+]C4)c2c1C ZINC001164405425 718860868 /nfs/dbraw/zinc/86/08/68/718860868.db2.gz RSCVKYXAHDKNMQ-UHFFFAOYSA-N 1 0 445.589 2.341 20 0 IEADRO Clc1nc2c(c(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)n1)CN(Cc1ccccc1)CC2 ZINC001164421891 718913438 /nfs/dbraw/zinc/91/34/38/718913438.db2.gz VMIZFEINOFLCJO-QHCPKHFHSA-N 1 0 443.979 2.274 20 0 IEADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423468 718916303 /nfs/dbraw/zinc/91/63/03/718916303.db2.gz HFKXBHDJYMZEGC-GOSISDBHSA-N 1 0 425.867 2.322 20 0 IEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC001164616625 719013109 /nfs/dbraw/zinc/01/31/09/719013109.db2.gz LFAAXZADQZJPNM-UXPWSPDFSA-N 1 0 441.963 2.418 20 0 IEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164619245 719013467 /nfs/dbraw/zinc/01/34/67/719013467.db2.gz UTJFYEBNPUUNGW-MNEFBYGVSA-N 1 0 427.936 2.376 20 0 IEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164619244 719013772 /nfs/dbraw/zinc/01/37/72/719013772.db2.gz UTJFYEBNPUUNGW-AYOQOUSVSA-N 1 0 427.936 2.376 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164616384 719027264 /nfs/dbraw/zinc/02/72/64/719027264.db2.gz CSWZGGRBNKDTGY-UHFFFAOYSA-N 1 0 438.956 2.480 20 0 IEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(=O)OC)nc4cnccc43)CC2)CC1 ZINC001164617536 719028744 /nfs/dbraw/zinc/02/87/44/719028744.db2.gz NXEWJVADLXPXMW-UHFFFAOYSA-N 1 0 427.505 2.055 20 0 IEADRO Cn1cnc2c1nc(N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)nc2N1CCOCC1 ZINC001164627222 719068905 /nfs/dbraw/zinc/06/89/05/719068905.db2.gz PWTQBUFVJHKTOT-WOJBJXKFSA-N 1 0 433.560 2.301 20 0 IEADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164635244 719136878 /nfs/dbraw/zinc/13/68/78/719136878.db2.gz WMSCQTRGOSZFCF-ZBFHGGJFSA-N 1 0 429.590 2.363 20 0 IEADRO CN(C)C(=O)CN1CC[C@]2(CN(c3cc(C[NH+](C)C)ccn3)C[C@@H]2c2ccccc2)C1=O ZINC001164635262 719144260 /nfs/dbraw/zinc/14/42/60/719144260.db2.gz WRLODALXVQUDTC-PXDATVDWSA-N 1 0 435.572 2.054 20 0 IEADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)nn1 ZINC001164638320 719266358 /nfs/dbraw/zinc/26/63/58/719266358.db2.gz OKJQANNQODXBLY-URXFXBBRSA-N 1 0 438.576 2.500 20 0 IEADRO CN1CCN(c2nccc(N(c3cccc(F)c3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)CC1 ZINC001164652351 719297159 /nfs/dbraw/zinc/29/71/59/719297159.db2.gz MWKHPXMDMIMZRN-OFNKIYASSA-N 1 0 426.540 2.417 20 0 IEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2CCCO[C@H]21 ZINC001164652731 719320331 /nfs/dbraw/zinc/32/03/31/719320331.db2.gz LHAHWFQSQIIRBE-SYYKKAFVSA-N 1 0 425.533 2.388 20 0 IEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@@H]12 ZINC001164653491 719320849 /nfs/dbraw/zinc/32/08/49/719320849.db2.gz NCHMGZWSXZBNAG-IOMROCGXSA-N 1 0 425.533 2.388 20 0 IEADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1 ZINC001164679609 719590034 /nfs/dbraw/zinc/59/00/34/719590034.db2.gz ATHOXUHXRHPYTJ-FQEVSTJZSA-N 1 0 425.581 2.463 20 0 IEADRO CC(C)N(C)Cc1nn(-c2c(Cl)nnc(Cl)c2N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164680673 719653381 /nfs/dbraw/zinc/65/33/81/719653381.db2.gz HFVDAILCIKQCBA-UHFFFAOYSA-N 1 0 440.379 2.292 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3C(N)=O)CC2)c2ccccc21 ZINC001164681415 719657039 /nfs/dbraw/zinc/65/70/39/719657039.db2.gz OETMCAOWDFQYFH-SFHVURJKSA-N 1 0 435.572 2.274 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)CC2 ZINC001164685311 719710648 /nfs/dbraw/zinc/71/06/48/719710648.db2.gz UWBUCZQUBFEPGB-UHFFFAOYSA-N 1 0 430.883 2.247 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164684339 719715344 /nfs/dbraw/zinc/71/53/44/719715344.db2.gz PAFBGVVLGLCFIA-UHFFFAOYSA-N 1 0 434.588 2.216 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)CC2 ZINC001164685850 719715501 /nfs/dbraw/zinc/71/55/01/719715501.db2.gz VKZXPAFNLSTAAO-UHFFFAOYSA-N 1 0 430.883 2.247 20 0 IEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2O1 ZINC001164699623 719819735 /nfs/dbraw/zinc/81/97/35/719819735.db2.gz HPHSTFHHBMGYJV-PMVMPFDFSA-N 1 0 435.572 2.415 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)c(N)cn1)CC2 ZINC001164716258 720109386 /nfs/dbraw/zinc/10/93/86/720109386.db2.gz JNPKARHHGAGQAV-SFHVURJKSA-N 1 0 425.533 2.353 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-n3cncn3)nc(C)n1)CC2 ZINC001164713083 720151548 /nfs/dbraw/zinc/15/15/48/720151548.db2.gz QGRQMOCDYUXTEM-FQEVSTJZSA-N 1 0 434.548 2.268 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164715075 720156791 /nfs/dbraw/zinc/15/67/91/720156791.db2.gz SKTUHUNCUWJWQV-KRWDZBQOSA-N 1 0 440.573 2.423 20 0 IEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)C2 ZINC001164812976 720165106 /nfs/dbraw/zinc/16/51/06/720165106.db2.gz BCHVPIKTEXDQMD-YKSBVNFPSA-N 1 0 441.624 2.257 20 0 IEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164813721 720166537 /nfs/dbraw/zinc/16/65/37/720166537.db2.gz DSMRWXURRQFOHL-UGKGYDQZSA-N 1 0 436.622 2.297 20 0 IEADRO CCOC(=O)/C=C\c1cccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164714137 720169637 /nfs/dbraw/zinc/16/96/37/720169637.db2.gz OXULCGVZHCFSBP-ZTBDEIDFSA-N 1 0 440.548 2.003 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3cccnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714704 720173042 /nfs/dbraw/zinc/17/30/42/720173042.db2.gz RQCCQIPQFFXMSX-MRXNPFEDSA-N 1 0 428.928 2.023 20 0 IEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1CSC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715934 720174866 /nfs/dbraw/zinc/17/48/66/720174866.db2.gz DTOCNOVSWUXOTL-INIZCTEOSA-N 1 0 435.985 2.222 20 0 IEADRO Cc1cc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(Cl)n1 ZINC001164719634 720176199 /nfs/dbraw/zinc/17/61/99/720176199.db2.gz XLLKOENXVYZRDI-HNNXBMFYSA-N 1 0 441.914 2.328 20 0 IEADRO Cn1nnc2c1CCN(c1nccc(OCc3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718407 720182131 /nfs/dbraw/zinc/18/21/31/720182131.db2.gz PWUDAFSWULUQQI-OAQYLSRUSA-N 1 0 449.559 2.400 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cc(N)cc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719175 720186706 /nfs/dbraw/zinc/18/67/06/720186706.db2.gz TXDXOPPKZCZZBQ-OAHLLOKOSA-N 1 0 441.914 2.207 20 0 IEADRO Cn1nnc2c1CCN(c1cc(OCc3ccccc3)cnn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717065 720187525 /nfs/dbraw/zinc/18/75/25/720187525.db2.gz KEZDQZCFKMEWNX-QFIPXVFZSA-N 1 0 449.559 2.400 20 0 IEADRO COc1ccccc1-c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nn1 ZINC001164715638 720197019 /nfs/dbraw/zinc/19/70/19/720197019.db2.gz LKXOXUBDBQAMAE-OAQYLSRUSA-N 1 0 449.559 2.497 20 0 IEADRO Cn1nnc2c1CCN(c1ccnc(Cc3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716610 720199633 /nfs/dbraw/zinc/19/96/33/720199633.db2.gz PYRRVPXGLTZPAL-NRFANRHFSA-N 1 0 433.560 2.412 20 0 IEADRO Cn1nnc2c1CCN(c1ccnc(Cc3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716611 720199823 /nfs/dbraw/zinc/19/98/23/720199823.db2.gz PYRRVPXGLTZPAL-OAQYLSRUSA-N 1 0 433.560 2.412 20 0 IEADRO CSc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(SC)n1 ZINC001164716344 720205711 /nfs/dbraw/zinc/20/57/11/720205711.db2.gz BTVHNYKMMMYPBB-OAHLLOKOSA-N 1 0 435.623 2.265 20 0 IEADRO COC(=O)c1ccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)ncc2c1 ZINC001164813984 720213994 /nfs/dbraw/zinc/21/39/94/720213994.db2.gz RHDBTWSEMNVMGM-UHFFFAOYSA-N 1 0 436.516 2.224 20 0 IEADRO COC(=O)c1ccc2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164814000 720214455 /nfs/dbraw/zinc/21/44/55/720214455.db2.gz RQNXJSKPBOFSAT-UHFFFAOYSA-N 1 0 436.516 2.224 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(=O)N(C)C)cc1Cl)CCC2 ZINC001164812153 720239052 /nfs/dbraw/zinc/23/90/52/720239052.db2.gz BWWMYQAHQISEMO-UHFFFAOYSA-N 1 0 432.956 2.244 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823138 720300210 /nfs/dbraw/zinc/30/02/10/720300210.db2.gz OSLZFMYSVMBPGO-RTWAWAEBSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164826535 720300967 /nfs/dbraw/zinc/30/09/67/720300967.db2.gz VLYGUIWJCNWXPK-NHCUHLMSSA-N 1 0 437.544 2.328 20 0 IEADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc12 ZINC001164828312 720308388 /nfs/dbraw/zinc/30/83/88/720308388.db2.gz ZXSNTUGXCANDOG-RTBURBONSA-N 1 0 425.533 2.261 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(NC(=O)C(C)(C)C)nn2)CC1 ZINC001164826177 720318032 /nfs/dbraw/zinc/31/80/32/720318032.db2.gz FLJRFIXXFUSESX-MSOLQXFVSA-N 1 0 428.581 2.373 20 0 IEADRO COc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827136 720325143 /nfs/dbraw/zinc/32/51/43/720325143.db2.gz GXOFSFXRQLVBCA-UXHICEINSA-N 1 0 436.560 2.459 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(OC)c1 ZINC001164829006 720326413 /nfs/dbraw/zinc/32/64/13/720326413.db2.gz LFKKVGYPFNPWBW-OALUTQOASA-N 1 0 430.549 2.178 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(OC)c1 ZINC001164829004 720326602 /nfs/dbraw/zinc/32/66/02/720326602.db2.gz LFKKVGYPFNPWBW-MOPGFXCFSA-N 1 0 430.549 2.178 20 0 IEADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827865 720331801 /nfs/dbraw/zinc/33/18/01/720331801.db2.gz IYSKUAZCQCATEU-WJCJLTOMSA-N 1 0 426.561 2.488 20 0 IEADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823267 720333941 /nfs/dbraw/zinc/33/39/41/720333941.db2.gz AEPOPBXILIITIV-HOTGVXAUSA-N 1 0 435.956 2.218 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC001164827942 720345559 /nfs/dbraw/zinc/34/55/59/720345559.db2.gz NEDAVJCBLKJAEX-RTWAWAEBSA-N 1 0 440.592 2.061 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC1 ZINC001164822898 720355000 /nfs/dbraw/zinc/35/50/00/720355000.db2.gz GDVDBPBYWGOAJM-IAGOWNOFSA-N 1 0 428.911 2.430 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Oc2cnc(Cl)cn2)CC1 ZINC001164831712 720355401 /nfs/dbraw/zinc/35/54/01/720355401.db2.gz ZXZJMILPTVZPMY-GJZGRUSLSA-N 1 0 429.899 2.466 20 0 IEADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825883 720355981 /nfs/dbraw/zinc/35/59/81/720355981.db2.gz JVADOEXQWXIVJK-ZWKOTPCHSA-N 1 0 448.999 2.181 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1C(=O)OCC ZINC001164723198 720358178 /nfs/dbraw/zinc/35/81/78/720358178.db2.gz HOQVAZPVVKNDLV-ROUUACIJSA-N 1 0 425.489 2.078 20 0 IEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c21 ZINC001164733262 720505365 /nfs/dbraw/zinc/50/53/65/720505365.db2.gz ZFWZUFGYVKYWLB-MRXNPFEDSA-N 1 0 433.516 2.454 20 0 IEADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc(S(C)(=O)=O)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840050 720506277 /nfs/dbraw/zinc/50/62/77/720506277.db2.gz WDTUXECWQZHVGF-HRCADAONSA-N 1 0 438.985 2.108 20 0 IEADRO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842421 720527917 /nfs/dbraw/zinc/52/79/17/720527917.db2.gz XFGBWOGIEUSBPS-SOLBZPMBSA-N 1 0 432.956 2.420 20 0 IEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2c(Cl)nnc(Cl)c2N2CCOCC2)C1 ZINC001164736439 720536047 /nfs/dbraw/zinc/53/60/47/720536047.db2.gz YGFIXOOVDUFBJI-CYBMUJFWSA-N 1 0 426.352 2.015 20 0 IEADRO c1cc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc(N3CCOCC3)c2s1 ZINC001164732993 720554492 /nfs/dbraw/zinc/55/44/92/720554492.db2.gz HQYVEUYINNCJOF-UHFFFAOYSA-N 1 0 439.589 2.383 20 0 IEADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(Cl)nc(Cl)nc3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838568 720555700 /nfs/dbraw/zinc/55/57/00/720555700.db2.gz OPIDWKVONPKOCP-MELADBBJSA-N 1 0 438.363 2.457 20 0 IEADRO COc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(S(C)(=O)=O)n1 ZINC001164842642 720691928 /nfs/dbraw/zinc/69/19/28/720691928.db2.gz LZPYRLZAILKLOW-SFHVURJKSA-N 1 0 446.573 2.149 20 0 IEADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736748 720701403 /nfs/dbraw/zinc/70/14/03/720701403.db2.gz AWRBFZCXBUDZBL-LSDHHAIUSA-N 1 0 440.891 2.202 20 0 IEADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740542 720713409 /nfs/dbraw/zinc/71/34/09/720713409.db2.gz QWGOWKQEQKAWMB-GJZGRUSLSA-N 1 0 430.940 2.395 20 0 IEADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164739231 720713803 /nfs/dbraw/zinc/71/38/03/720713803.db2.gz MECVYRSYSLFUBN-SJORKVTESA-N 1 0 430.940 2.349 20 0 IEADRO CN1CCN(c2nccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)CC1 ZINC001164838352 720721736 /nfs/dbraw/zinc/72/17/36/720721736.db2.gz IGGCBXIUULLZFD-QFIPXVFZSA-N 1 0 436.604 2.488 20 0 IEADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164838979 720728004 /nfs/dbraw/zinc/72/80/04/720728004.db2.gz JRVRQZCRIZYQSF-KRWDZBQOSA-N 1 0 434.537 2.128 20 0 IEADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746142 720810343 /nfs/dbraw/zinc/81/03/43/720810343.db2.gz LVHQQAQCKXEXLC-XYJFISCASA-N 1 0 430.940 2.493 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741847 720815489 /nfs/dbraw/zinc/81/54/89/720815489.db2.gz OPVGMVFNNUAFKG-CNNODRBYSA-N 1 0 447.543 2.387 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741854 720815509 /nfs/dbraw/zinc/81/55/09/720815509.db2.gz OPVGMVFNNUAFKG-XQBPLPMBSA-N 1 0 447.543 2.387 20 0 IEADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164739116 720821222 /nfs/dbraw/zinc/82/12/22/720821222.db2.gz HDUIIWPHVCYLAV-MBOZVWFJSA-N 1 0 435.532 2.320 20 0 IEADRO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2[nH]1 ZINC001164737701 720821348 /nfs/dbraw/zinc/82/13/48/720821348.db2.gz CCSQEVCQHBCPBW-OWCLPIDISA-N 1 0 427.944 2.286 20 0 IEADRO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743138 720832838 /nfs/dbraw/zinc/83/28/38/720832838.db2.gz IXMOIEKXTOUDGA-FRQCXROJSA-N 1 0 430.940 2.493 20 0 IEADRO Clc1ncnc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164741932 720838816 /nfs/dbraw/zinc/83/88/16/720838816.db2.gz GAVIQORHOZGUHG-YQQAZPJKSA-N 1 0 425.928 2.044 20 0 IEADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C(=O)OC)c3)CC[C@H]2C1 ZINC001164852809 720846920 /nfs/dbraw/zinc/84/69/20/720846920.db2.gz LIKYEORMUQEOKX-XJKSGUPXSA-N 1 0 433.883 2.240 20 0 IEADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4cc(OC)c(OC)cc43)CC[C@@H]2C1 ZINC001164854712 720848434 /nfs/dbraw/zinc/84/84/34/720848434.db2.gz RFYDBNHSFPGDNY-KUHUBIRLSA-N 1 0 436.940 2.474 20 0 IEADRO [O-][n+]1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1Cl ZINC001164750216 720860278 /nfs/dbraw/zinc/86/02/78/720860278.db2.gz ORPXQUHGDIEJMM-KBAYOESNSA-N 1 0 438.910 2.489 20 0 IEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(=O)OC)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164854089 720867919 /nfs/dbraw/zinc/86/79/19/720867919.db2.gz JAIVKGAKBOZAJN-VQIMIIECSA-N 1 0 448.564 2.026 20 0 IEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC[C@@H]2C1 ZINC001164853380 720882017 /nfs/dbraw/zinc/88/20/17/720882017.db2.gz CGQBWMHXBPOCFY-VGOFRKELSA-N 1 0 428.533 2.334 20 0 IEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(N(C)Cc4ccc(OC)cc4)n3)CC[C@@H]2C1 ZINC001164854289 720885994 /nfs/dbraw/zinc/88/59/94/720885994.db2.gz DSTZEAYNRYOFTA-IFMALSPDSA-N 1 0 441.576 2.295 20 0 IEADRO Cc1nc(N(C)C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755355 720895780 /nfs/dbraw/zinc/89/57/80/720895780.db2.gz LHWUZUBFTSNPRE-QPPBQGQZSA-N 1 0 437.592 2.396 20 0 IEADRO 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438.528 2.045 20 0 IEADRO O=C(N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164951873 722000918 /nfs/dbraw/zinc/00/09/18/722000918.db2.gz OHTHFEIYUGQPFJ-MMOPVJDHSA-N 1 0 443.573 2.179 20 0 IEADRO CC(=O)Oc1cc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c2cc1OC(C)=O ZINC001165056616 722015491 /nfs/dbraw/zinc/01/54/91/722015491.db2.gz YTOBBWDXLIPQRT-UHFFFAOYSA-N 1 0 435.484 2.240 20 0 IEADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955309 722020960 /nfs/dbraw/zinc/02/09/60/722020960.db2.gz FMVZWZKYSPPMBD-HKBQPEDESA-N 1 0 443.573 2.278 20 0 IEADRO Cc1ccc(N(c2nc(Cl)nc3c2CN(C)CC3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164957987 722025748 /nfs/dbraw/zinc/02/57/48/722025748.db2.gz CULLTUGCNVOAOC-YCRPNKLZSA-N 1 0 429.956 2.266 20 0 IEADRO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961918 722054005 /nfs/dbraw/zinc/05/40/05/722054005.db2.gz YQMDGVXCHIXFEP-UHFFFAOYSA-N 1 0 433.915 2.487 20 0 IEADRO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1C ZINC001164964175 722055067 /nfs/dbraw/zinc/05/50/67/722055067.db2.gz SHBVLVVAUYCQRJ-UHFFFAOYSA-N 1 0 425.533 2.476 20 0 IEADRO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]21 ZINC001164968445 722080854 /nfs/dbraw/zinc/08/08/54/722080854.db2.gz AXZBAXMFCHUSST-FKBYEOEOSA-N 1 0 438.576 2.269 20 0 IEADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981766 722106625 /nfs/dbraw/zinc/10/66/25/722106625.db2.gz MGLIOXHAFIZIRK-IEBWSBKVSA-N 1 0 436.516 2.257 20 0 IEADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982352 722107467 /nfs/dbraw/zinc/10/74/67/722107467.db2.gz NUXMOQDEMVFOFO-AEFFLSMTSA-N 1 0 431.924 2.429 20 0 IEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981073 722112224 /nfs/dbraw/zinc/11/22/24/722112224.db2.gz SHKBWLCPLMEHTR-QZTJIDSGSA-N 1 0 445.951 2.358 20 0 IEADRO Clc1ncc(N2CCOCC2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979820 722119946 /nfs/dbraw/zinc/11/99/46/722119946.db2.gz QGMJZYKCZPMLNK-AZUAARDMSA-N 1 0 444.967 2.089 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975572 722120109 /nfs/dbraw/zinc/12/01/09/722120109.db2.gz JVGDKYSBFNKQEP-IEBWSBKVSA-N 1 0 445.951 2.358 20 0 IEADRO COC(=O)CSc1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983811 722135027 /nfs/dbraw/zinc/13/50/27/722135027.db2.gz VIHDIEAVAHHYQL-MOPGFXCFSA-N 1 0 428.558 2.469 20 0 IEADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982165 722136650 /nfs/dbraw/zinc/13/66/50/722136650.db2.gz REODEQBOOODTTP-DLBZAZTESA-N 1 0 431.924 2.429 20 0 IEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)nc1 ZINC001164990695 722189075 /nfs/dbraw/zinc/18/90/75/722189075.db2.gz NGUWPGCUAPWIKI-OAQYLSRUSA-N 1 0 437.588 2.484 20 0 IEADRO COCCO[C@@H]1CCN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]1Cc1cnn(C)c1 ZINC001165000528 722224437 /nfs/dbraw/zinc/22/44/37/722224437.db2.gz TWDXLMKLECMBSW-LEWJYISDSA-N 1 0 429.565 2.143 20 0 IEADRO CCOC(=O)c1nc2ccccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999583 722251102 /nfs/dbraw/zinc/25/11/02/722251102.db2.gz CXDKPYQWYJRSNS-UHFFFAOYSA-N 1 0 438.532 2.492 20 0 IEADRO CN(C)c1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(Cl)n1 ZINC001165003707 722257742 /nfs/dbraw/zinc/25/77/42/722257742.db2.gz GJSRDDASJCLAIG-UHFFFAOYSA-N 1 0 443.930 2.426 20 0 IEADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+]C3(CO)Cc4ccccc4C3)nc2c1 ZINC000512308897 1126095505 /nfs/dbraw/zinc/09/55/05/1126095505.db2.gz MBKUIYNNJJDDIL-UHFFFAOYSA-N 1 0 428.558 2.213 20 0 IEADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OC ZINC001473840005 1126200461 /nfs/dbraw/zinc/20/04/61/1126200461.db2.gz OKBYJLIHXGVAIK-QHCPKHFHSA-N 1 0 443.500 2.453 20 0 IEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC001474000056 1126201375 /nfs/dbraw/zinc/20/13/75/1126201375.db2.gz YVQTVTYOXSOTQR-HZPDHXFCSA-N 1 0 436.965 2.379 20 0 IEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001560532784 1126211746 /nfs/dbraw/zinc/21/17/46/1126211746.db2.gz WFWZLFGVTSTDSS-SFHVURJKSA-N 1 0 425.348 2.106 20 0 IEADRO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c(N)c3c2OC(C)(C)C3)[C@H](O)C1 ZINC000003916772 562939262 /nfs/dbraw/zinc/93/92/62/562939262.db2.gz FOUUNSGQVBGYQM-SUMWQHHRSA-N 1 0 425.957 2.085 20 0 in-man IEADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164393954 718829191 /nfs/dbraw/zinc/82/91/91/718829191.db2.gz XYJULGVHWWQWPJ-OAHLLOKOSA-N 1 0 437.878 2.126 20 0 IEADRO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4CCN5CC[NH2+]C[C@H]5C4)nn3)cc-2n1 ZINC001164392553 718830349 /nfs/dbraw/zinc/83/03/49/718830349.db2.gz PMCCRTIIRXWADM-SFHVURJKSA-N 1 0 444.518 2.121 20 0 IEADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399752 718843346 /nfs/dbraw/zinc/84/33/46/718843346.db2.gz FSYSHBVLWMPMNN-HNNXBMFYSA-N 1 0 425.867 2.228 20 0 IEADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164406406 718863914 /nfs/dbraw/zinc/86/39/14/718863914.db2.gz GMXCDGVWLMQNHV-WMZOPIPTSA-N 1 0 443.617 2.217 20 0 IEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC001164616616 719012834 /nfs/dbraw/zinc/01/28/34/719012834.db2.gz LFAAXZADQZJPNM-FFZOFVMBSA-N 1 0 441.963 2.418 20 0 IEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC001164616621 719013186 /nfs/dbraw/zinc/01/31/86/719013186.db2.gz LFAAXZADQZJPNM-LSTHTHJFSA-N 1 0 441.963 2.418 20 0 IEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ncc3N3CCOCC3)CC2)CC1 ZINC001164617007 719027277 /nfs/dbraw/zinc/02/72/77/719027277.db2.gz IMZBLJUXRBVFRL-UHFFFAOYSA-N 1 0 437.972 2.211 20 0 IEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4c(nn3)CC[C@@H](C(=O)OCC)C4)CC2)CC1 ZINC001164618118 719035561 /nfs/dbraw/zinc/03/55/61/719035561.db2.gz SKLJOSNRNIKRMA-GOSISDBHSA-N 1 0 444.576 2.389 20 0 IEADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164629701 719136857 /nfs/dbraw/zinc/13/68/57/719136857.db2.gz CFMFLBJUDMAQCN-INIZCTEOSA-N 1 0 429.590 2.363 20 0 IEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2CCCO[C@@H]21 ZINC001164652734 719320569 /nfs/dbraw/zinc/32/05/69/719320569.db2.gz LHAHWFQSQIIRBE-UZKOGDIHSA-N 1 0 425.533 2.388 20 0 IEADRO CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4cc(C[NH+](C)C)ccn4)C3)C2)n1 ZINC001164664211 719357786 /nfs/dbraw/zinc/35/77/86/719357786.db2.gz LYUURIHGHBAOKN-HSZRJFAPSA-N 1 0 425.581 2.123 20 0 IEADRO [NH3+]C1CCN(c2ccnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)n2)CC1 ZINC001164672550 719515711 /nfs/dbraw/zinc/51/57/11/719515711.db2.gz KCGFSUIEZCNWIT-UHFFFAOYSA-N 1 0 440.567 2.415 20 0 IEADRO CCOC(=O)c1cnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)cc1C(=O)OCC ZINC001164680336 719653848 /nfs/dbraw/zinc/65/38/48/719653848.db2.gz FRYKLYUAWAZSGB-UHFFFAOYSA-N 1 0 429.521 2.107 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C(N)=O)cn3)CC2)c2ccccc21 ZINC001164684024 719662681 /nfs/dbraw/zinc/66/26/81/719662681.db2.gz VZLKNTBRAYYFRS-IBGZPJMESA-N 1 0 435.572 2.274 20 0 IEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c3CNC4)CC2)c2ccccc21 ZINC001164682960 719663716 /nfs/dbraw/zinc/66/37/16/719663716.db2.gz UFJFUSKEJFWGCO-SFHVURJKSA-N 1 0 434.588 2.173 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)CC2 ZINC001164682190 719707547 /nfs/dbraw/zinc/70/75/47/719707547.db2.gz CIRRNFRIEPRBLO-UHFFFAOYSA-N 1 0 430.883 2.247 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)CC2 ZINC001164689363 719747452 /nfs/dbraw/zinc/74/74/52/719747452.db2.gz CTPFOPKZNJWATC-UHFFFAOYSA-N 1 0 425.533 2.342 20 0 IEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@H]3C2)nc1)C1CC1 ZINC001164702651 719820087 /nfs/dbraw/zinc/82/00/87/719820087.db2.gz SSAMHDVQHYGLNL-PTUXOGIPSA-N 1 0 435.572 2.414 20 0 IEADRO 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721191659 /nfs/dbraw/zinc/19/16/59/721191659.db2.gz FQIHRJCONLKQJX-OIISXLGYSA-N 1 0 431.924 2.281 20 0 IEADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164764148 721206856 /nfs/dbraw/zinc/20/68/56/721206856.db2.gz GIBJMLXCYVYSJD-RBUKOAKNSA-N 1 0 446.621 2.240 20 0 IEADRO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164766864 721207418 /nfs/dbraw/zinc/20/74/18/721207418.db2.gz JKKQHXAJTDJNPG-RBUKOAKNSA-N 1 0 446.621 2.240 20 0 IEADRO CCOC(=O)c1cnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(=O)OCC ZINC001164761926 721244742 /nfs/dbraw/zinc/24/47/42/721244742.db2.gz KKTZQFPMKVGAKA-MSOLQXFVSA-N 1 0 441.532 2.127 20 0 IEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Oc4ccccc4)ncn3)CC2)C1 ZINC001164870364 721264896 /nfs/dbraw/zinc/26/48/96/721264896.db2.gz XBGSEQURTKPFJU-UHFFFAOYSA-N 1 0 425.533 2.276 20 0 IEADRO C[NH+]1CCN(c2ccc(N3CCc4c(COCc5ccccn5)cncc4C3)nn2)CC1 ZINC001164766840 721269710 /nfs/dbraw/zinc/26/97/10/721269710.db2.gz OUHAOOGRWZKYDL-UHFFFAOYSA-N 1 0 431.544 2.298 20 0 IEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(F)c3)CC2)C1 ZINC001164869869 721271323 /nfs/dbraw/zinc/27/13/23/721271323.db2.gz RHZVOZIZYRGWGM-UHFFFAOYSA-N 1 0 434.890 2.426 20 0 IEADRO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872920 721279570 /nfs/dbraw/zinc/27/95/70/721279570.db2.gz IKHLGXDHPUIVDB-UHFFFAOYSA-N 1 0 440.544 2.028 20 0 IEADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(-c4ccccc4F)nn3)CC2)C1 ZINC001164879133 721288810 /nfs/dbraw/zinc/28/88/10/721288810.db2.gz VGBRHNMDVKUXEQ-UHFFFAOYSA-N 1 0 427.524 2.290 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4CN(C(=O)c5ccsc5)CCO[C@@H]4C3)n2)CC1 ZINC001164873841 721298040 /nfs/dbraw/zinc/29/80/40/721298040.db2.gz BTNXDHQXPASLHH-AZUAARDMSA-N 1 0 441.601 2.262 20 0 IEADRO O=C1CO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2N1c1cccc(F)c1 ZINC001164882404 721365808 /nfs/dbraw/zinc/36/58/08/721365808.db2.gz IVQFACBPFCCAJK-WOJBJXKFSA-N 1 0 426.492 2.316 20 0 IEADRO C[NH+]1CCN(c2ccc(N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)nn2)CC1 ZINC001164783816 721383315 /nfs/dbraw/zinc/38/33/15/721383315.db2.gz PQSZKQSWFAKGLJ-QPPBQGQZSA-N 1 0 438.576 2.216 20 0 IEADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164887147 721384740 /nfs/dbraw/zinc/38/47/40/721384740.db2.gz HDYVACUFBPSWDQ-TWAHYYINSA-N 1 0 428.577 2.423 20 0 IEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)N4CCCCC4)C3)O2)CC1 ZINC001164887327 721384767 /nfs/dbraw/zinc/38/47/67/721384767.db2.gz HRIGJZWVLXOVBT-BWKNWUBXSA-N 1 0 441.620 2.473 20 0 IEADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164887144 721384828 /nfs/dbraw/zinc/38/48/28/721384828.db2.gz HDYVACUFBPSWDQ-NIHXNNMGSA-N 1 0 428.577 2.423 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892146 721389372 /nfs/dbraw/zinc/38/93/72/721389372.db2.gz RVZROACANMSIBI-DVECYGJZSA-N 1 0 439.560 2.182 20 0 IEADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892144 721389996 /nfs/dbraw/zinc/38/99/96/721389996.db2.gz RVZROACANMSIBI-CYFREDJKSA-N 1 0 439.560 2.182 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1OCC ZINC001164891393 721409501 /nfs/dbraw/zinc/40/95/01/721409501.db2.gz VURLNMDEUQCKFZ-DVECYGJZSA-N 1 0 446.592 2.422 20 0 IEADRO COc1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c(OC)c1 ZINC001164888247 721417122 /nfs/dbraw/zinc/41/71/22/721417122.db2.gz NSJPKYMSVFNAOM-UUOWRZLLSA-N 1 0 441.576 2.412 20 0 IEADRO COc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c(OC)c1 ZINC001164888241 721417355 /nfs/dbraw/zinc/41/73/55/721417355.db2.gz NSJPKYMSVFNAOM-HOYKHHGWSA-N 1 0 441.576 2.412 20 0 IEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(C(=O)OC(C)(C)C)n4)C3)O2)CC1 ZINC001164886316 721419103 /nfs/dbraw/zinc/41/91/03/721419103.db2.gz IZNQMZXAEDIKPW-JPYJTQIMSA-N 1 0 431.581 2.197 20 0 IEADRO COc1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164885829 721420623 /nfs/dbraw/zinc/42/06/23/721420623.db2.gz HPBWEVFDIIYWRV-HYBUGGRVSA-N 1 0 438.576 2.313 20 0 IEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C(=O)N5CCCC5)ccn4)C3)O2)CC1 ZINC001164890301 721424324 /nfs/dbraw/zinc/42/43/24/721424324.db2.gz DJOYVVLCPQWWHF-URXFXBBRSA-N 1 0 427.593 2.083 20 0 IEADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164893077 721427243 /nfs/dbraw/zinc/42/72/43/721427243.db2.gz IXSDCRNPADIHME-UMMIVNDFSA-N 1 0 428.577 2.342 20 0 IEADRO COC(=O)c1cc2c[nH]c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)cc-2n1 ZINC001164897592 721427537 /nfs/dbraw/zinc/42/75/37/721427537.db2.gz UFRMVKDPAMTXRB-JPYJTQIMSA-N 1 0 427.549 2.115 20 0 IEADRO COC(=O)c1cc2c[nH]c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)cc-2n1 ZINC001164897587 721427763 /nfs/dbraw/zinc/42/77/63/721427763.db2.gz UFRMVKDPAMTXRB-FDDCHVKYSA-N 1 0 427.549 2.115 20 0 IEADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164897093 721429126 /nfs/dbraw/zinc/42/91/26/721429126.db2.gz SNNQCWKGNALUBL-IERDGZPVSA-N 1 0 437.972 2.072 20 0 IEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)COc4ccc(Cl)nn4)C3)O2)CC1 ZINC001164899366 721435055 /nfs/dbraw/zinc/43/50/55/721435055.db2.gz YILVPQRRIWXGQP-VQIMIIECSA-N 1 0 445.942 2.363 20 0 IEADRO CC1CCN(c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)CC1 ZINC001164899797 721435798 /nfs/dbraw/zinc/43/57/98/721435798.db2.gz ZCXQQOCDRSKRCY-URXFXBBRSA-N 1 0 428.625 2.478 20 0 IEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc(-c5cccc(F)c5)n4)C3)O2)CC1 ZINC001164898245 721438949 /nfs/dbraw/zinc/43/89/49/721438949.db2.gz VNGMMHHKVUURLY-OFNKIYASSA-N 1 0 426.540 2.443 20 0 IEADRO COc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164890135 721451839 /nfs/dbraw/zinc/45/18/39/721451839.db2.gz QLRJTVFICZHGRK-KXBFYZLASA-N 1 0 445.942 2.449 20 0 IEADRO 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IEADRO O=c1ccccn1Cc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164985545 722143994 /nfs/dbraw/zinc/14/39/94/722143994.db2.gz ZUDLXXNFZPAIGR-GOTSBHOMSA-N 1 0 431.540 2.414 20 0 IEADRO CN1CCc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2C1 ZINC001164972673 722153819 /nfs/dbraw/zinc/15/38/19/722153819.db2.gz IVWGKYFPFPZPLN-XLIONFOSSA-N 1 0 428.968 2.240 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[C@@H]32)cs1 ZINC001164988934 722174685 /nfs/dbraw/zinc/17/46/85/722174685.db2.gz SFWYQNZDLVASGQ-ZWKOTPCHSA-N 1 0 434.997 2.410 20 0 IEADRO Cc1nc(CN2CCO[C@H]3CCN(c4nccc(N5CCC([NH3+])CC5)n4)CC[C@@H]32)cs1 ZINC001164986439 722184081 /nfs/dbraw/zinc/18/40/81/722184081.db2.gz DFPVLDNOSCZIDG-PMACEKPBSA-N 1 0 443.621 2.039 20 0 IEADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)n2)CC1 ZINC001164997427 722220053 /nfs/dbraw/zinc/22/00/53/722220053.db2.gz DNKTZELXHZOFDH-DEOSSOPVSA-N 1 0 435.528 2.196 20 0 IEADRO COc1cc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2cc1OC ZINC001164999868 722251317 /nfs/dbraw/zinc/25/13/17/722251317.db2.gz HOSZNKQENBZWPU-UHFFFAOYSA-N 1 0 426.521 2.332 20 0 IEADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)ccc1OCC(=O)N1CCOCC1 ZINC001179278326 1126152030 /nfs/dbraw/zinc/15/20/30/1126152030.db2.gz UQIIQRQKLMGYJW-XMMPIXPASA-N 1 0 446.519 2.155 20 0 IEADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1OC ZINC001461738566 1126197026 /nfs/dbraw/zinc/19/70/26/1126197026.db2.gz YUVACRNKUOUBBT-IBGZPJMESA-N 1 0 428.938 2.088 20 0 IEADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1OC ZINC001474258511 1126204006 /nfs/dbraw/zinc/20/40/06/1126204006.db2.gz XUTYVDSKUGSMRG-LJQANCHMSA-N 1 0 428.938 2.088 20 0 IEADRO NS(=O)(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001560930764 1126214227 /nfs/dbraw/zinc/21/42/27/1126214227.db2.gz NIYKRFRLNCYZKR-GOSISDBHSA-N 1 0 425.348 2.106 20 0 IEADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC(=O)NC4(CC[NH2+]CC4)C3)c2c1C ZINC001164392838 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OKJQANNQODXBLY-XUZZJYLKSA-N 1 0 438.576 2.500 20 0 IEADRO O=C(CC1CC1)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@H]2CCCO[C@@H]12 ZINC001164655126 719325391 /nfs/dbraw/zinc/32/53/91/719325391.db2.gz NVDGPNNMZGAKRJ-DCLXLUIPSA-N 1 0 428.577 2.456 20 0 IEADRO O=C([C@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)CC12CCOCC2)N1CC=CC1 ZINC001164677670 719559084 /nfs/dbraw/zinc/55/90/84/719559084.db2.gz QYKOJXVKSGMZDU-HXUWFJFHSA-N 1 0 426.561 2.188 20 0 IEADRO Cn1cnc2c1ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679962 719659671 /nfs/dbraw/zinc/65/96/71/719659671.db2.gz BKADPOLJHJDAME-SFHVURJKSA-N 1 0 447.587 2.457 20 0 IEADRO CCOC(Cc1c(Cl)ncnc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1)OCC ZINC001164686601 719721143 /nfs/dbraw/zinc/72/11/43/719721143.db2.gz QEHQSVCZJARQGN-UHFFFAOYSA-N 1 0 439.988 2.252 20 0 IEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3cc(C(=O)NCC(C)C)ccc31)CC2 ZINC001164687626 719730880 /nfs/dbraw/zinc/73/08/80/719730880.db2.gz ZWTBHMHDFQIBMT-UHFFFAOYSA-N 1 0 438.576 2.196 20 0 IEADRO CN1CC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)COc2ccccc2S1(=O)=O ZINC001164691016 719780239 /nfs/dbraw/zinc/78/02/39/719780239.db2.gz KCAXZJLHINGYTP-UHFFFAOYSA-N 1 0 430.574 2.443 20 0 IEADRO C[C@H]1C(=O)Nc2cnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2N1C ZINC001164698253 719892742 /nfs/dbraw/zinc/89/27/42/719892742.db2.gz QITIJEIDQJBMPD-HNNXBMFYSA-N 1 0 428.562 2.186 20 0 IEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3nc[nH]c3c(N(C)C)n1)CC2 ZINC001164716862 720125090 /nfs/dbraw/zinc/12/50/90/720125090.db2.gz KZOYYRIQARCRQL-SFHVURJKSA-N 1 0 436.564 2.321 20 0 IEADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164713520 720130097 /nfs/dbraw/zinc/13/00/97/720130097.db2.gz RGRPUPLXRMMAIA-OAQYLSRUSA-N 1 0 439.560 2.485 20 0 IEADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164816711 720152093 /nfs/dbraw/zinc/15/20/93/720152093.db2.gz MFTLYFAXYYLLMF-HXOBKFHXSA-N 1 0 427.549 2.330 20 0 IEADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)cn1)[C@@H]2COCC[NH+]1CCCC1 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/nfs/dbraw/zinc/19/70/11/720197011.db2.gz LKXOXUBDBQAMAE-NRFANRHFSA-N 1 0 449.559 2.497 20 0 IEADRO CCOC(=O)Cc1nc(Cl)cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813524 720220213 /nfs/dbraw/zinc/22/02/13/720220213.db2.gz NMOQEYJHUQBXQU-UHFFFAOYSA-N 1 0 448.955 2.043 20 0 IEADRO COc1cc2ncc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc2cc1OC ZINC001164812922 720220282 /nfs/dbraw/zinc/22/02/82/720220282.db2.gz KKSLLMDTWXPFKG-UHFFFAOYSA-N 1 0 438.532 2.454 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(NC(=O)C(C)(C)C)nn1)CCC2 ZINC001164813565 720223148 /nfs/dbraw/zinc/22/31/48/720223148.db2.gz PJFRXTBFLFLFOC-UHFFFAOYSA-N 1 0 427.553 2.268 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814729 720224056 /nfs/dbraw/zinc/22/40/56/720224056.db2.gz XDXGKXTUWLIJOP-UHFFFAOYSA-N 1 0 448.955 2.043 20 0 IEADRO CCOC(=O)/C=C\c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164814075 720229397 /nfs/dbraw/zinc/22/93/97/720229397.db2.gz UGSVTESDSHYAAA-NTMALXAHSA-N 1 0 425.533 2.465 20 0 IEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)COc1ccc(Cl)nn1)CCC2 ZINC001164812955 720235868 /nfs/dbraw/zinc/23/58/68/720235868.db2.gz KZQLBCHVLDFEAK-UHFFFAOYSA-N 1 0 442.898 2.404 20 0 IEADRO COc1cc(OC)c2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164816706 720246394 /nfs/dbraw/zinc/24/63/94/720246394.db2.gz LQRZSNLCWHAJSU-UHFFFAOYSA-N 1 0 438.532 2.454 20 0 IEADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821411 720289410 /nfs/dbraw/zinc/28/94/10/720289410.db2.gz KOANFGTUYCFRMB-ZWKOTPCHSA-N 1 0 447.605 2.287 20 0 IEADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)nc1 ZINC001164721428 720305067 /nfs/dbraw/zinc/30/50/67/720305067.db2.gz GYWGYHGGQLNBOO-URXFXBBRSA-N 1 0 429.609 2.293 20 0 IEADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818654 720314184 /nfs/dbraw/zinc/31/41/84/720314184.db2.gz AYMLCODPSYPVNQ-HZPDHXFCSA-N 1 0 435.956 2.218 20 0 IEADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818652 720314437 /nfs/dbraw/zinc/31/44/37/720314437.db2.gz AYMLCODPSYPVNQ-CVEARBPZSA-N 1 0 435.956 2.218 20 0 IEADRO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830892 720322365 /nfs/dbraw/zinc/32/23/65/720322365.db2.gz QJVMPKCUCGYUOA-NHCUHLMSSA-N 1 0 437.544 2.328 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)c(F)c3c2C(=O)NC3)CC1 ZINC001164826374 720323095 /nfs/dbraw/zinc/32/30/95/720323095.db2.gz GJEXCOZIASVFSD-GJZGRUSLSA-N 1 0 435.931 2.029 20 0 IEADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824664 720323716 /nfs/dbraw/zinc/32/37/16/720323716.db2.gz CPGFLKYGGCXIDO-RBUKOAKNSA-N 1 0 430.549 2.178 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC001164834190 720329290 /nfs/dbraw/zinc/32/92/90/720329290.db2.gz YQNVMIOPQAXZPM-SFTDATJTSA-N 1 0 425.577 2.229 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC001164834187 720329461 /nfs/dbraw/zinc/32/94/61/720329461.db2.gz YQNVMIOPQAXZPM-RTWAWAEBSA-N 1 0 425.577 2.229 20 0 IEADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827856 720331993 /nfs/dbraw/zinc/33/19/93/720331993.db2.gz IYSKUAZCQCATEU-JPZWTCJMSA-N 1 0 426.561 2.488 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(Cn3ccccc3=O)cn2)CC1 ZINC001164827794 720341741 /nfs/dbraw/zinc/34/17/41/720341741.db2.gz MRKAQABSJUFZGH-VXKWHMMOSA-N 1 0 435.572 2.203 20 0 IEADRO CCOC(=O)c1cnc(CC)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825045 720349019 /nfs/dbraw/zinc/34/90/19/720349019.db2.gz IPELJOVKJUHVLH-MOPGFXCFSA-N 1 0 429.565 2.127 20 0 IEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Oc2cnc(Cl)cn2)CC1 ZINC001164831713 720354957 /nfs/dbraw/zinc/35/49/57/720354957.db2.gz ZXZJMILPTVZPMY-HUUCEWRRSA-N 1 0 429.899 2.466 20 0 IEADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc(S(C)(=O)=O)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840052 720505392 /nfs/dbraw/zinc/50/53/92/720505392.db2.gz WDTUXECWQZHVGF-OWCLPIDISA-N 1 0 438.985 2.108 20 0 IEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC001164734854 720521730 /nfs/dbraw/zinc/52/17/30/720521730.db2.gz SCFVYAOQNJXWHB-MRXNPFEDSA-N 1 0 442.545 2.067 20 0 IEADRO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842418 720527050 /nfs/dbraw/zinc/52/70/50/720527050.db2.gz XFGBWOGIEUSBPS-JFIYKMOQSA-N 1 0 432.956 2.420 20 0 IEADRO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842423 720527278 /nfs/dbraw/zinc/52/72/78/720527278.db2.gz XFGBWOGIEUSBPS-XYJFISCASA-N 1 0 432.956 2.420 20 0 IEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)C1 ZINC001164734580 720530203 /nfs/dbraw/zinc/53/02/03/720530203.db2.gz QUNDFJSKFPADSP-LJQANCHMSA-N 1 0 433.560 2.375 20 0 IEADRO 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CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746985 720737083 /nfs/dbraw/zinc/73/70/83/720737083.db2.gz ZLZLZQSVOLKWHE-RBUKOAKNSA-N 1 0 447.543 2.148 20 0 IEADRO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164751258 720808230 /nfs/dbraw/zinc/80/82/30/720808230.db2.gz XQKUKDLPDRSRLZ-CEXWTWQISA-N 1 0 426.569 2.276 20 0 IEADRO COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1Cl ZINC001164744801 720813311 /nfs/dbraw/zinc/81/33/11/720813311.db2.gz IORXVCRNQIBGNS-JTDSTZFVSA-N 1 0 430.940 2.493 20 0 IEADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747053 720816203 /nfs/dbraw/zinc/81/62/03/720816203.db2.gz ZXYNUPYLKGJQLF-YVWKXTFCSA-N 1 0 428.512 2.368 20 0 IEADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747042 720816255 /nfs/dbraw/zinc/81/62/55/720816255.db2.gz ZXYNUPYLKGJQLF-ILZDJORESA-N 1 0 428.512 2.368 20 0 IEADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743323 720816755 /nfs/dbraw/zinc/81/67/55/720816755.db2.gz SFDQPUUKLMPGFW-DBXWQHBBSA-N 1 0 447.543 2.372 20 0 IEADRO COC(=O)c1cc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742080 720817167 /nfs/dbraw/zinc/81/71/67/720817167.db2.gz PQONFAMEDAFAOR-SZVBFZGTSA-N 1 0 430.940 2.493 20 0 IEADRO COC(=O)c1cc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742079 720817352 /nfs/dbraw/zinc/81/73/52/720817352.db2.gz PQONFAMEDAFAOR-KVSKMBFKSA-N 1 0 430.940 2.493 20 0 IEADRO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2[nH]1 ZINC001164737699 720821671 /nfs/dbraw/zinc/82/16/71/720821671.db2.gz CCSQEVCQHBCPBW-BZUAXINKSA-N 1 0 427.944 2.286 20 0 IEADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164744649 720828256 /nfs/dbraw/zinc/82/82/56/720828256.db2.gz VRZFXJVZDMMFKO-GUDVDZBRSA-N 1 0 438.580 2.432 20 0 IEADRO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743139 720832603 /nfs/dbraw/zinc/83/26/03/720832603.db2.gz IXMOIEKXTOUDGA-GPMSIDNRSA-N 1 0 430.940 2.493 20 0 IEADRO O=C1NCc2c1c(N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)nc(Cl)c2F ZINC001164739461 720832688 /nfs/dbraw/zinc/83/26/88/720832688.db2.gz AIMRNHKNEMLOKT-IIAWOOMASA-N 1 0 445.930 2.088 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164848729 720834615 /nfs/dbraw/zinc/83/46/15/720834615.db2.gz AXTKPESYBBXKCF-HIFRSBDPSA-N 1 0 448.898 2.025 20 0 IEADRO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc1Cl ZINC001164850104 720834816 /nfs/dbraw/zinc/83/48/16/720834816.db2.gz DFDAIGQAELDEFA-UKRRQHHQSA-N 1 0 448.898 2.025 20 0 IEADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(OC)c1 ZINC001164740020 720836076 /nfs/dbraw/zinc/83/60/76/720836076.db2.gz BNYNTUVMUPNCCA-VAMGGRTRSA-N 1 0 440.548 2.238 20 0 IEADRO O=C(c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1)N1CCCC1 ZINC001164747484 720839065 /nfs/dbraw/zinc/83/90/65/720839065.db2.gz QVTXGPOSRNBEDQ-BHIFYINESA-N 1 0 435.576 2.289 20 0 IEADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)CC[C@H]2C1 ZINC001164851287 720840826 /nfs/dbraw/zinc/84/08/26/720840826.db2.gz GIXTUTNCRSWJIT-JKSUJKDBSA-N 1 0 445.942 2.449 20 0 IEADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)CC[C@@H]2C1 ZINC001164851285 720841083 /nfs/dbraw/zinc/84/10/83/720841083.db2.gz GIXTUTNCRSWJIT-HZPDHXFCSA-N 1 0 445.942 2.449 20 0 IEADRO COC(=O)CSc1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745236 720842604 /nfs/dbraw/zinc/84/26/04/720842604.db2.gz NAZQPWMJAHUPLG-IPMKNSEASA-N 1 0 442.589 2.318 20 0 IEADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(C(=O)OC)c(Cl)n3)CC[C@@H]2C1 ZINC001164851253 720844121 /nfs/dbraw/zinc/84/41/21/720844121.db2.gz GGKFEYUJZZNSNY-UKRRQHHQSA-N 1 0 433.883 2.240 20 0 IEADRO 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Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]21 ZINC001164946982 721962024 /nfs/dbraw/zinc/96/20/24/721962024.db2.gz OQRSCOICXRWOCI-FCHUYYIVSA-N 1 0 427.549 2.249 20 0 IEADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001164943882 721963476 /nfs/dbraw/zinc/96/34/76/721963476.db2.gz GSUIBBGTWOWRRT-YADHBBJMSA-N 1 0 427.549 2.154 20 0 IEADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053891 722010935 /nfs/dbraw/zinc/01/09/35/722010935.db2.gz ONQUOUOVCGKKBE-UHFFFAOYSA-N 1 0 448.552 2.428 20 0 IEADRO COC(=O)CSc1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963307 722060895 /nfs/dbraw/zinc/06/08/95/722060895.db2.gz WKVIKOJFTORXSK-UHFFFAOYSA-N 1 0 443.573 2.256 20 0 IEADRO CC(=O)N1[C@@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164968443 722080775 /nfs/dbraw/zinc/08/07/75/722080775.db2.gz AXZBAXMFCHUSST-BHIFYINESA-N 1 0 438.576 2.269 20 0 IEADRO Cn1cc(N2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2=O)cn1 ZINC001164972943 722094460 /nfs/dbraw/zinc/09/44/60/722094460.db2.gz AHYPLPZUXPLIJT-IFMALSPDSA-N 1 0 428.540 2.473 20 0 IEADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984298 722100150 /nfs/dbraw/zinc/10/01/50/722100150.db2.gz SEBGMAARHLURGP-HKUYNNGSSA-N 1 0 443.573 2.498 20 0 IEADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981740 722100661 /nfs/dbraw/zinc/10/06/61/722100661.db2.gz MFCBOTOGAPGEFT-AEFFLSMTSA-N 1 0 431.924 2.429 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975570 722119695 /nfs/dbraw/zinc/11/96/95/722119695.db2.gz JVGDKYSBFNKQEP-HKUYNNGSSA-N 1 0 445.951 2.358 20 0 IEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975575 722120167 /nfs/dbraw/zinc/12/01/67/722120167.db2.gz JVGDKYSBFNKQEP-PKOBYXMFSA-N 1 0 445.951 2.358 20 0 IEADRO Cc1nc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1C ZINC001164984633 722137923 /nfs/dbraw/zinc/13/79/23/722137923.db2.gz YBALBQCLBAPPHA-IRXDYDNUSA-N 1 0 427.940 2.447 20 0 IEADRO CCOC(=O)c1cnc(CC)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977033 722150888 /nfs/dbraw/zinc/15/08/88/722150888.db2.gz HWDRTYTXXSXYHZ-QUCCMNQESA-N 1 0 425.533 2.338 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[C@@H]32)cs1 ZINC001164984879 722177369 /nfs/dbraw/zinc/17/73/69/722177369.db2.gz GQUUPCMRIRXALK-ZWKOTPCHSA-N 1 0 434.997 2.410 20 0 IEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(N5CCC([NH3+])CC5)n4)CC[C@H]32)cs1 ZINC001164986456 722184112 /nfs/dbraw/zinc/18/41/12/722184112.db2.gz DFPVLDNOSCZIDG-WOJBJXKFSA-N 1 0 443.621 2.039 20 0 IEADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)nc1 ZINC001164990690 722188964 /nfs/dbraw/zinc/18/89/64/722188964.db2.gz NGUWPGCUAPWIKI-NRFANRHFSA-N 1 0 437.588 2.484 20 0 IEADRO COc1cc(OC)c2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165003670 722257970 /nfs/dbraw/zinc/25/79/70/722257970.db2.gz FZLYZCAECQDRHT-UHFFFAOYSA-N 1 0 426.521 2.332 20 0 IEADRO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)cs1 ZINC001165005278 722272283 /nfs/dbraw/zinc/27/22/83/722272283.db2.gz HSPOIIUNZWWVFR-IBGZPJMESA-N 1 0 444.605 2.338 20 0 IEADRO COC(=O)c1sc2[nH]c(C[NH2+][C@](C)(CO)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC001308118998 1126164116 /nfs/dbraw/zinc/16/41/16/1126164116.db2.gz XPIOZEXMKHFEAA-NRFANRHFSA-N 1 0 431.514 2.172 20 0 IEADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1OC ZINC001461738568 1126196915 /nfs/dbraw/zinc/19/69/15/1126196915.db2.gz YUVACRNKUOUBBT-LJQANCHMSA-N 1 0 428.938 2.088 20 0 IEADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001461669553 1126195588 /nfs/dbraw/zinc/19/55/88/1126195588.db2.gz FPSZUVVXHQIMRO-KRWDZBQOSA-N 1 0 431.327 2.319 20 0 IEADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001620419428 1126240366 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