smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CCN(C)C2(CCN(C(C)(C)c3ccnc(Cl)c3)CC2)C1=O ZINC001164644294 719285167 /nfs/dbraw/zinc/28/51/67/719285167.db2.gz HEJRIYFFEIWEIN-UHFFFAOYSA-N 0 1 394.947 2.225 20 0 GEADMN CN1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]21 ZINC001164664295 719382994 /nfs/dbraw/zinc/38/29/94/719382994.db2.gz AWLIRIJSJJLWJN-ROUUACIJSA-N 0 1 385.899 2.165 20 0 GEADMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(C)nc(Cl)n1)CC2 ZINC001164684134 719710631 /nfs/dbraw/zinc/71/06/31/719710631.db2.gz NECCSARMMQVAPO-UHFFFAOYSA-N 0 1 387.862 2.164 20 0 GEADMN CCOC(=O)c1cc(C)cc(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164733732 720553998 /nfs/dbraw/zinc/55/39/98/720553998.db2.gz QOKTUVMNCKVRGX-UHFFFAOYSA-N 0 1 383.496 2.422 20 0 GEADMN COc1nc(Cl)nc(C)c1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728818 720565134 /nfs/dbraw/zinc/56/51/34/720565134.db2.gz MQAJQAVITKMDQI-UHFFFAOYSA-N 0 1 376.892 2.302 20 0 GEADMN CC(C)(C)OC(=O)c1ccnc(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164727911 720570216 /nfs/dbraw/zinc/57/02/16/720570216.db2.gz GHMQPOHBYQMUDT-UHFFFAOYSA-N 0 1 398.511 2.287 20 0 GEADMN CCOC(=O)c1cnc(N2CCc3ncc(CN4CCCC4)n3CC2)c(OC)c1 ZINC001164729533 720572081 /nfs/dbraw/zinc/57/20/81/720572081.db2.gz QFULMQARFYBKGZ-UHFFFAOYSA-N 0 1 399.495 2.122 20 0 GEADMN COc1cccc2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c21 ZINC001164736095 720583288 /nfs/dbraw/zinc/58/32/88/720583288.db2.gz BSDZYPMUHQGPBY-UHFFFAOYSA-N 0 1 378.480 2.493 20 0 GEADMN c1nc2n(c1CN1CCCC1)CCN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164736737 720583759 /nfs/dbraw/zinc/58/37/59/720583759.db2.gz SBQKDOGJYXDQLE-UHFFFAOYSA-N 0 1 375.480 2.394 20 0 GEADMN Clc1nc2c(c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164746290 720647725 /nfs/dbraw/zinc/64/77/25/720647725.db2.gz XAXYLOQRHQQHDU-KGLIPLIRSA-N 0 1 386.887 2.141 20 0 GEADMN Clc1nnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2sccc21 ZINC001164743026 720654799 /nfs/dbraw/zinc/65/47/99/720654799.db2.gz OJFDBNFKAWEOIN-NEPJUHHUSA-N 0 1 388.884 2.477 20 0 GEADMN C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccnc1CC(=O)[O-])CC2 ZINC001164837556 720709378 /nfs/dbraw/zinc/70/93/78/720709378.db2.gz DOYLGNRTDWJGOF-GOSISDBHSA-N 0 1 396.491 2.364 20 0 GEADMN CON(C)C(=O)c1ccnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1 ZINC001164861771 721012743 /nfs/dbraw/zinc/01/27/43/721012743.db2.gz PIBHIXOIHHISHA-OAHLLOKOSA-N 0 1 386.500 2.333 20 0 GEADMN CNC(=O)c1cc(Cl)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856723 721020906 /nfs/dbraw/zinc/02/09/06/721020906.db2.gz BKROWLWMXTUWPX-LBPRGKRZSA-N 0 1 391.907 2.108 20 0 GEADMN COc1cnc(SC)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869493 721051843 /nfs/dbraw/zinc/05/18/43/721051843.db2.gz TUDJKPLJDZSSFM-CVEARBPZSA-N 0 1 387.509 2.082 20 0 GEADMN COC(=O)c1c(Cl)ccnc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764375 721081693 /nfs/dbraw/zinc/08/16/93/721081693.db2.gz HJZLYNSXGXILNX-HUUCEWRRSA-N 0 1 389.887 2.213 20 0 GEADMN Cn1cc(CN2CC[C@H]3CN(c4nccc(-c5cccnc5F)n4)C[C@H]3C2)cn1 ZINC001164772901 721170666 /nfs/dbraw/zinc/17/06/66/721170666.db2.gz VYUWMARJHGIMCZ-DLBZAZTESA-N 0 1 393.470 2.370 20 0 GEADMN CCOC(=O)c1c(C)ccnc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761382 721172310 /nfs/dbraw/zinc/17/23/10/721172310.db2.gz AZEFKFRMBSOWSK-ZWKOTPCHSA-N 0 1 383.496 2.259 20 0 GEADMN CCOC(=O)c1c(C)ccnc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761378 721172599 /nfs/dbraw/zinc/17/25/99/721172599.db2.gz AZEFKFRMBSOWSK-QZTJIDSGSA-N 0 1 383.496 2.259 20 0 GEADMN c1cncc(CO[C@@H]2C[C@@H]3CN(c4nccnc4OC4CCC4)CCN3C2)c1 ZINC001164880695 721174813 /nfs/dbraw/zinc/17/48/13/721174813.db2.gz XCWOCAMATXNPHH-IEBWSBKVSA-N 0 1 381.480 2.283 20 0 GEADMN CC(C)n1cnc2cnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nc21 ZINC001164772403 721201671 /nfs/dbraw/zinc/20/16/71/721201671.db2.gz UNHGJGYGXUEOPE-IAGOWNOFSA-N 0 1 380.500 2.099 20 0 GEADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccsc54)C3)O2)CC1 ZINC001164889831 721382723 /nfs/dbraw/zinc/38/27/23/721382723.db2.gz MNVCWTKDJQPEIZ-OXJNMPFZSA-N 0 1 387.553 2.457 20 0 GEADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5cccnc5n4)C3)O2)CC1 ZINC001164884047 721406558 /nfs/dbraw/zinc/40/65/58/721406558.db2.gz DACSZNDZCPBEGD-DENIHFKCSA-N 0 1 381.524 2.395 20 0 GEADMN Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164885653 721419838 /nfs/dbraw/zinc/41/98/38/721419838.db2.gz GXUCZYITZHJDNG-LAUBAEHRSA-N 0 1 384.528 2.032 20 0 GEADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5ncsc54)C3)O2)CC1 ZINC001164890736 721426290 /nfs/dbraw/zinc/42/62/90/721426290.db2.gz DRTSBQNAPMDAQK-JXFKEZNVSA-N 0 1 387.553 2.457 20 0 GEADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(F)c5cc[nH]c54)C3)O2)CC1 ZINC001164894411 721427685 /nfs/dbraw/zinc/42/76/85/721427685.db2.gz MFJBHVGWZSFQOH-KKSFZXQISA-N 0 1 387.503 2.467 20 0 GEADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(C(F)F)n4)C3)O2)CC1 ZINC001164890802 721428606 /nfs/dbraw/zinc/42/86/06/721428606.db2.gz FWOJYRHBELWZCH-HNAYVOBHSA-N 0 1 381.471 2.180 20 0 GEADMN CC(C)Oc1cncc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164896439 721437427 /nfs/dbraw/zinc/43/74/27/721437427.db2.gz RIHLJMJVFXRTDS-NQIIRXRSSA-N 0 1 389.544 2.029 20 0 GEADMN CCc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164895363 721438542 /nfs/dbraw/zinc/43/85/42/721438542.db2.gz NYTOLVJDYZZSKI-UZLBHIALSA-N 0 1 393.963 2.458 20 0 GEADMN CCc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164895360 721438735 /nfs/dbraw/zinc/43/87/35/721438735.db2.gz NYTOLVJDYZZSKI-JXFKEZNVSA-N 0 1 393.963 2.458 20 0 GEADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(C(F)F)cn4)C3)O2)CC1 ZINC001164893824 721445618 /nfs/dbraw/zinc/44/56/18/721445618.db2.gz KTNZUXBDRNOQED-LPHOPBHVSA-N 0 1 381.471 2.180 20 0 GEADMN Cc1nc2cc(F)ccc2c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164794035 721511150 /nfs/dbraw/zinc/51/11/50/721511150.db2.gz CAQOBGMIHAEBBT-UHFFFAOYSA-N 0 1 395.486 2.041 20 0 GEADMN CCOc1cc(Cl)nc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)c1 ZINC001164794279 721512953 /nfs/dbraw/zinc/51/29/53/721512953.db2.gz MOGUNBLZXQGBOY-UHFFFAOYSA-N 0 1 390.919 2.098 20 0 GEADMN CSc1cc(Cl)cnc1N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001164799051 721517832 /nfs/dbraw/zinc/51/78/32/721517832.db2.gz WAVRKORDXPYPLM-UHFFFAOYSA-N 0 1 392.960 2.421 20 0 GEADMN CN(C)C(=O)c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164803643 721546412 /nfs/dbraw/zinc/54/64/12/721546412.db2.gz IKVWJTVMZSZJHW-ZJOUEHCJSA-N 0 1 395.507 2.047 20 0 GEADMN COCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(C)n1 ZINC001164806596 721548200 /nfs/dbraw/zinc/54/82/00/721548200.db2.gz OXTTZXKAHLLGNO-ZJOUEHCJSA-N 0 1 383.496 2.195 20 0 GEADMN CCOC(=O)c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc1C ZINC001165009091 721728790 /nfs/dbraw/zinc/72/87/90/721728790.db2.gz UCKZKEHFOHOPHN-UHFFFAOYSA-N 0 1 388.512 2.090 20 0 GEADMN CCOC(=O)c1ccc(C)c(N2CCCC23CCN(CC(=O)N(C)C)CC3)n1 ZINC001165007751 721729402 /nfs/dbraw/zinc/72/94/02/721729402.db2.gz HHRLVECTRRPOCC-UHFFFAOYSA-N 0 1 388.512 2.090 20 0 GEADMN COc1nc2ccccc2nc1N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165010108 721734182 /nfs/dbraw/zinc/73/41/82/721734182.db2.gz AMVVFCAJDWJMMS-UHFFFAOYSA-N 0 1 383.496 2.161 20 0 GEADMN CN(C)C(=O)CN1CCC2(CCCN2c2ncnc3cc(Cl)cnc32)CC1 ZINC001165009599 721739866 /nfs/dbraw/zinc/73/98/66/721739866.db2.gz GNUSYMPVVQCHNL-UHFFFAOYSA-N 0 1 388.903 2.201 20 0 GEADMN Cc1cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc(-c2ccccn2)n1 ZINC001165009970 721744596 /nfs/dbraw/zinc/74/45/96/721744596.db2.gz KKRDLPCHPUPPPC-UHFFFAOYSA-N 0 1 394.523 2.370 20 0 GEADMN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(n1)CNC3)C2 ZINC001164909029 721754200 /nfs/dbraw/zinc/75/42/00/721754200.db2.gz DAXLRNOGEOIZOB-UHFFFAOYSA-N 0 1 376.464 2.263 20 0 GEADMN CNC(=O)c1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nn1 ZINC001164940078 721932169 /nfs/dbraw/zinc/93/21/69/721932169.db2.gz QDKCAHJDVFPWJK-UHFFFAOYSA-N 0 1 395.507 2.016 20 0 GEADMN CN(C)S(=O)(=O)N1CC[C@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001164955202 721990371 /nfs/dbraw/zinc/99/03/71/721990371.db2.gz ZXQKMURFNWRWON-UONOGXRCSA-N 0 1 386.949 2.030 20 0 GEADMN Cc1noc2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164960696 722060867 /nfs/dbraw/zinc/06/08/67/722060867.db2.gz HVTBOFQUQATVNN-UHFFFAOYSA-N 0 1 394.479 2.440 20 0 GEADMN c1cncc(CN2CCO[C@@H]3CN(c4cnc5cccnc5n4)CC[C@H]3C2)c1 ZINC001164971448 722111433 /nfs/dbraw/zinc/11/14/33/722111433.db2.gz CLHNYUJBUKZWKM-PKOBYXMFSA-N 0 1 376.464 2.147 20 0 GEADMN COC(=O)CCc1nnc(NCc2nc3c(s2)CN(C(C)C)CC3)s1 ZINC000475055597 531290209 /nfs/dbraw/zinc/29/02/09/531290209.db2.gz ZMAYORUMSRYXBW-UHFFFAOYSA-N 0 1 381.527 2.479 20 0 GEADMN Cc1nc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)nc(N(C)C)n1 ZINC000488413773 531485976 /nfs/dbraw/zinc/48/59/76/531485976.db2.gz ZTRUDMSJJIAIME-UHFFFAOYSA-N 0 1 389.261 2.406 20 0 GEADMN CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000006533271 531525426 /nfs/dbraw/zinc/52/54/26/531525426.db2.gz OMFRVSQKZRKHBX-UHFFFAOYSA-N 0 1 381.483 2.172 20 0 GEADMN CCCNC(=O)NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000006463971 531525483 /nfs/dbraw/zinc/52/54/83/531525483.db2.gz KRGIVXNWXWSIAB-UHFFFAOYSA-N 0 1 383.861 2.462 20 0 GEADMN CN(C)CCNS(=O)(=O)c1cc(Br)ccc1Br ZINC000006671040 531528976 /nfs/dbraw/zinc/52/89/76/531528976.db2.gz JJERRQHBMRDHIZ-UHFFFAOYSA-N 0 1 386.109 2.052 20 0 GEADMN CC1(C)CN(C(=O)c2cc(I)c(F)cc2F)CCN1 ZINC000152449344 531551572 /nfs/dbraw/zinc/55/15/72/531551572.db2.gz OBGWEJORVMXOBN-UHFFFAOYSA-N 0 1 380.176 2.393 20 0 GEADMN C[C@@H](O)C[C@H]1CCCN1CC(=O)Nc1cccc(I)c1 ZINC000152616588 531563052 /nfs/dbraw/zinc/56/30/52/531563052.db2.gz INQJTLSUNFRMRF-BXUZGUMPSA-N 0 1 388.249 2.465 20 0 GEADMN O=C(Cc1cc(Br)ccc1F)N1CC[C@@H](CN2CCOCC2)C1 ZINC000152825033 531572990 /nfs/dbraw/zinc/57/29/90/531572990.db2.gz CLYIDLMTCRQKDZ-ZDUSSCGKSA-N 0 1 385.277 2.311 20 0 GEADMN CCNC(=O)NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000021261559 531585519 /nfs/dbraw/zinc/58/55/19/531585519.db2.gz UEEHSZSEWQSNCZ-UHFFFAOYSA-N 0 1 384.259 2.172 20 0 GEADMN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1 ZINC000024374779 531601874 /nfs/dbraw/zinc/60/18/74/531601874.db2.gz QSGRCEXOEXWEJC-UHFFFAOYSA-N 0 1 376.406 2.016 20 0 GEADMN CCN(CC(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000154030919 531619966 /nfs/dbraw/zinc/61/99/66/531619966.db2.gz HQZZPLBIWKQNBV-UHFFFAOYSA-N 0 1 396.329 2.386 20 0 GEADMN Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000154389848 531623958 /nfs/dbraw/zinc/62/39/58/531623958.db2.gz ZIBVBJKGNFXWNQ-VXGBXAGGSA-N 0 1 380.286 2.437 20 0 GEADMN Cc1cc(NC(=O)CSCC(=O)NC[C@@H](c2cccs2)N(C)C)no1 ZINC000027675611 531627903 /nfs/dbraw/zinc/62/79/03/531627903.db2.gz ATOSGCYOIMFDFA-LBPRGKRZSA-N 0 1 382.511 2.135 20 0 GEADMN CCCOc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000032599995 531653870 /nfs/dbraw/zinc/65/38/70/531653870.db2.gz WIHXBVZHJFTIHI-UHFFFAOYSA-N 0 1 384.479 2.184 20 0 GEADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000155076902 531654702 /nfs/dbraw/zinc/65/47/02/531654702.db2.gz PUKSFNSLMQAYCY-CQSZACIVSA-N 0 1 381.929 2.407 20 0 GEADMN 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CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000737186077 599240254 /nfs/dbraw/zinc/24/02/54/599240254.db2.gz FYCUPEWAMGCNJX-NSHDSACASA-N 0 1 396.476 2.224 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000533202805 597083277 /nfs/dbraw/zinc/08/32/77/597083277.db2.gz LTGKDGXHIKQTLC-DOTOQJQBSA-N 0 1 388.464 2.308 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000533202807 597083629 /nfs/dbraw/zinc/08/36/29/597083629.db2.gz LTGKDGXHIKQTLC-RDJZCZTQSA-N 0 1 388.464 2.308 20 0 GEADMN COc1cc(-c2nnc(C[N@H+]3CCC[C@H](CC(=O)[O-])C3)o2)cc(OC)c1OC ZINC000818556124 597086461 /nfs/dbraw/zinc/08/64/61/597086461.db2.gz SYEXEJXVHUJWPP-GFCCVEGCSA-N 0 1 391.424 2.449 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000821516858 597394282 /nfs/dbraw/zinc/39/42/82/597394282.db2.gz ZSUMWLFJPLGQCE-LLVKDONJSA-N 0 1 380.242 2.303 20 0 GEADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](C(C)C)N1CCOCC1 ZINC000737262486 599264358 /nfs/dbraw/zinc/26/43/58/599264358.db2.gz HGRZDSZXDMCQAK-KRWDZBQOSA-N 0 1 399.474 2.053 20 0 GEADMN CC(=O)NCC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)[C@H](C)C(=O)[O-] ZINC000414673288 597703569 /nfs/dbraw/zinc/70/35/69/597703569.db2.gz CWHGNNCUBOFFBS-CYBMUJFWSA-N 0 1 378.860 2.245 20 0 GEADMN O=C([O-])Cc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000821537928 597713576 /nfs/dbraw/zinc/71/35/76/597713576.db2.gz HHISNNLWWWISSH-GOSISDBHSA-N 0 1 383.448 2.202 20 0 GEADMN O=C([O-])C1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000821446548 597714916 /nfs/dbraw/zinc/71/49/16/597714916.db2.gz VSVSVXODPSGBES-PPSBMQLTSA-N 0 1 389.496 2.086 20 0 GEADMN Cn1nccc1[C@@H]1CCCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000737627661 599289748 /nfs/dbraw/zinc/28/97/48/599289748.db2.gz MLEZOWNGPHOUCS-OAHLLOKOSA-N 0 1 391.439 2.030 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000821531190 598063814 /nfs/dbraw/zinc/06/38/14/598063814.db2.gz JTVPAYWRCCZTKI-RDJZCZTQSA-N 0 1 389.452 2.023 20 0 GEADMN CC(C)[N@H+](CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000820009596 598078391 /nfs/dbraw/zinc/07/83/91/598078391.db2.gz OMRLSCDXEHAPEM-MRXNPFEDSA-N 0 1 376.453 2.306 20 0 GEADMN CC(C)[N@@H+](CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000820009596 598078394 /nfs/dbraw/zinc/07/83/94/598078394.db2.gz OMRLSCDXEHAPEM-MRXNPFEDSA-N 0 1 376.453 2.306 20 0 GEADMN CCOc1cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])ccc1O[C@H](C)C(=O)N(C)C ZINC000820383313 598132559 /nfs/dbraw/zinc/13/25/59/598132559.db2.gz VROLIYWIDSLXAI-ZBFHGGJFSA-N 0 1 378.469 2.380 20 0 GEADMN COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC1CCC(C(=O)[O-])CC1 ZINC000820815186 598153788 /nfs/dbraw/zinc/15/37/88/598153788.db2.gz ZNBYCXHOHRKZCO-UHFFFAOYSA-N 0 1 375.469 2.138 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000821415450 598172802 /nfs/dbraw/zinc/17/28/02/598172802.db2.gz NQMMLRVUNIIEIO-MRXNPFEDSA-N 0 1 385.420 2.260 20 0 GEADMN COc1ccccc1CCN(C)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737149366 598247841 /nfs/dbraw/zinc/24/78/41/598247841.db2.gz HGFOJWQEZKGHMU-CQSZACIVSA-N 0 1 380.452 2.377 20 0 GEADMN COc1ccccc1CC(C)(C)[NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000737152189 598287149 /nfs/dbraw/zinc/28/71/49/598287149.db2.gz IMTDYSFFTONCON-UHFFFAOYSA-N 0 1 378.440 2.029 20 0 GEADMN COc1ccccc1CC(C)(C)[NH2+]Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000737152189 598287151 /nfs/dbraw/zinc/28/71/51/598287151.db2.gz IMTDYSFFTONCON-UHFFFAOYSA-N 0 1 378.440 2.029 20 0 GEADMN C[C@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736120178 598295600 /nfs/dbraw/zinc/29/56/00/598295600.db2.gz XWDWRKPWCVLWDZ-LBPRGKRZSA-N 0 1 389.423 2.212 20 0 GEADMN C[C@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736120178 598295603 /nfs/dbraw/zinc/29/56/03/598295603.db2.gz XWDWRKPWCVLWDZ-LBPRGKRZSA-N 0 1 389.423 2.212 20 0 GEADMN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738165688 598301066 /nfs/dbraw/zinc/30/10/66/598301066.db2.gz LTSQISUXQFWVRB-KRWDZBQOSA-N 0 1 381.415 2.402 20 0 GEADMN Fc1ccc(-c2n[nH]c(CNc3nc4c(cc3-c3nn[nH]n3)CCC4)n2)cc1 ZINC000737648846 598310763 /nfs/dbraw/zinc/31/07/63/598310763.db2.gz CDHZLQCVIJXEMW-UHFFFAOYSA-N 0 1 377.387 2.287 20 0 GEADMN CN(C)[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccsc1 ZINC000736758388 598318161 /nfs/dbraw/zinc/31/81/61/598318161.db2.gz GUTINBWCLLOBIO-OAHLLOKOSA-N 0 1 389.460 2.169 20 0 GEADMN C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C[C@H](O)c1ccccc1 ZINC000736284686 598365896 /nfs/dbraw/zinc/36/58/96/598365896.db2.gz CVZVYVPIHHVEDH-QRWLVFNGSA-N 0 1 396.470 2.246 20 0 GEADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737210951 598450393 /nfs/dbraw/zinc/45/03/93/598450393.db2.gz IGUMCZQSFFIVSD-UHFFFAOYSA-N 0 1 395.492 2.371 20 0 GEADMN Cn1nccc1CNCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737627035 598561820 /nfs/dbraw/zinc/56/18/20/598561820.db2.gz HRHZVGGMDICSFP-UHFFFAOYSA-N 0 1 375.436 2.469 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000738145431 598562910 /nfs/dbraw/zinc/56/29/10/598562910.db2.gz LJZULJXTGFOBIA-YPMHNXCESA-N 0 1 393.398 2.216 20 0 GEADMN O=S(=O)(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1OC(F)F ZINC000738341663 598594626 /nfs/dbraw/zinc/59/46/26/598594626.db2.gz IUHMFPJMOGDIHJ-UHFFFAOYSA-N 0 1 385.327 2.408 20 0 GEADMN CN(CCCc1ccccc1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736797008 598615936 /nfs/dbraw/zinc/61/59/36/598615936.db2.gz DYWBMSOXJFBMEM-SFHVURJKSA-N 0 1 390.447 2.063 20 0 GEADMN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735873227 598621094 /nfs/dbraw/zinc/62/10/94/598621094.db2.gz CWDXPNHPMMDKOQ-CQSZACIVSA-N 0 1 382.390 2.240 20 0 GEADMN CCN(CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736542604 598621465 /nfs/dbraw/zinc/62/14/65/598621465.db2.gz UKPFVVOYTCMVOK-SFHVURJKSA-N 0 1 392.463 2.373 20 0 GEADMN O=C(COc1ccc(-c2nn[nH]n2)cc1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737918312 598626483 /nfs/dbraw/zinc/62/64/83/598626483.db2.gz AYPXXQNMLUKYSZ-UHFFFAOYSA-N 0 1 383.799 2.092 20 0 GEADMN CN(C)[C@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000736757435 598663406 /nfs/dbraw/zinc/66/34/06/598663406.db2.gz AJSUDPORBVAWQX-CQSZACIVSA-N 0 1 388.522 2.439 20 0 GEADMN CN(C)[C@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000736759285 598664386 /nfs/dbraw/zinc/66/43/86/598664386.db2.gz LSSQLGDUBUDGPM-OAHLLOKOSA-N 0 1 388.522 2.439 20 0 GEADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736274375 598719687 /nfs/dbraw/zinc/71/96/87/598719687.db2.gz UNXQDGQKOVWKPR-CZUORRHYSA-N 0 1 380.452 2.219 20 0 GEADMN Cn1cc(-c2nc(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)cs2)cn1 ZINC000737593115 598719824 /nfs/dbraw/zinc/71/98/24/598719824.db2.gz QOIIPFKLNJUXQI-UHFFFAOYSA-N 0 1 390.432 2.087 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1ccc(F)cc1F ZINC000737983438 598720136 /nfs/dbraw/zinc/72/01/36/598720136.db2.gz VNAOJABFLWZMBA-UHFFFAOYSA-N 0 1 382.330 2.099 20 0 GEADMN C[C@@H]1CCCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)C1 ZINC000736268349 598720949 /nfs/dbraw/zinc/72/09/49/598720949.db2.gz WKYHAIOTVRPSSX-LLVKDONJSA-N 0 1 386.843 2.094 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)N1CCCCCC1 ZINC000737980199 598722168 /nfs/dbraw/zinc/72/21/68/598722168.db2.gz ACFNANRBBPAUOS-UHFFFAOYSA-N 0 1 386.843 2.238 20 0 GEADMN COc1cccc([C@H](C)N2CCN(c3nnc(C)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000737126485 598757228 /nfs/dbraw/zinc/75/72/28/598757228.db2.gz MSTHNBZRABBJNJ-HNNXBMFYSA-N 0 1 394.483 2.165 20 0 GEADMN C[C@@H]1c2ccccc2OCCN1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305032 598763580 /nfs/dbraw/zinc/76/35/80/598763580.db2.gz SAQNSHHFALFWMT-ZBFHGGJFSA-N 0 1 381.436 2.062 20 0 GEADMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736250873 598766299 /nfs/dbraw/zinc/76/62/99/598766299.db2.gz NLOULJPIFZZDOA-IYBDPMFKSA-N 0 1 398.511 2.499 20 0 GEADMN CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736533491 598812992 /nfs/dbraw/zinc/81/29/92/598812992.db2.gz HJJVWJOJNGJYBS-NSHDSACASA-N 0 1 389.529 2.321 20 0 GEADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1nnc2ccccc2c1O ZINC000736635550 599303125 /nfs/dbraw/zinc/30/31/25/599303125.db2.gz XDJBAUNXKGLMOG-UHFFFAOYSA-N 0 1 377.364 2.167 20 0 GEADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000736948761 599303663 /nfs/dbraw/zinc/30/36/63/599303663.db2.gz MUBDBJDWHCKQPL-UHFFFAOYSA-N 0 1 393.812 2.108 20 0 GEADMN O=S(=O)(Nc1ccc(Br)cc1O)c1cccc(-c2nn[nH]n2)c1 ZINC000738346269 599314478 /nfs/dbraw/zinc/31/44/78/599314478.db2.gz WZFKEFKMZXZZQQ-UHFFFAOYSA-N 0 1 396.226 2.136 20 0 GEADMN O=C(NCCCC1CC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738055265 599456362 /nfs/dbraw/zinc/45/63/62/599456362.db2.gz IYPUTXHJRDCFSF-UHFFFAOYSA-N 0 1 383.500 2.274 20 0 GEADMN Clc1ccc2ncc(-c3nn[nH]n3)c(NCCCCN3CCOCC3)c2c1 ZINC000822581244 599481100 /nfs/dbraw/zinc/48/11/00/599481100.db2.gz FQMHDDRCUPATMS-UHFFFAOYSA-N 0 1 387.875 2.015 20 0 GEADMN COc1cc2c(cc1CNCc1cnc3ccc(-c4nn[nH]n4)cn13)O[C@H](C)C2 ZINC000737056567 599484764 /nfs/dbraw/zinc/48/47/64/599484764.db2.gz WYFASMWBANABSR-GFCCVEGCSA-N 0 1 391.435 2.136 20 0 GEADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CNCc1ccc(N2CCCCC2)nc1 ZINC000738412243 599485865 /nfs/dbraw/zinc/48/58/65/599485865.db2.gz CZBNAZMYJXIZHV-UHFFFAOYSA-N 0 1 389.467 2.190 20 0 GEADMN CN(CCN1CCN(c2ccccc2)CC1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736798825 599591884 /nfs/dbraw/zinc/59/18/84/599591884.db2.gz ICLIVIGPXTZYMQ-UHFFFAOYSA-N 0 1 395.486 2.260 20 0 GEADMN O=C(c1ccncc1Cl)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823498719 599648444 /nfs/dbraw/zinc/64/84/44/599648444.db2.gz ZDDFXFDJMHTORQ-UHFFFAOYSA-N 0 1 397.870 2.263 20 0 GEADMN COc1ccc(C2CCN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821786624 599691102 /nfs/dbraw/zinc/69/11/02/599691102.db2.gz GSIXYIXOHSWNOI-IBGZPJMESA-N 0 1 392.463 2.281 20 0 GEADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(C)CC12CCCCC2 ZINC000820529839 599692356 /nfs/dbraw/zinc/69/23/56/599692356.db2.gz RVOJFVHGRXOKNC-HNNXBMFYSA-N 0 1 384.484 2.111 20 0 GEADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000736761134 599711119 /nfs/dbraw/zinc/71/11/19/599711119.db2.gz JIXPUCJPFKYVRK-JFRXWTBNSA-N 0 1 376.497 2.462 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000736284296 599718448 /nfs/dbraw/zinc/71/84/48/599718448.db2.gz ZHGVMOVSOSAILI-CYBMUJFWSA-N 0 1 377.441 2.170 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000736284296 599718450 /nfs/dbraw/zinc/71/84/50/599718450.db2.gz ZHGVMOVSOSAILI-CYBMUJFWSA-N 0 1 377.441 2.170 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000738533835 599719225 /nfs/dbraw/zinc/71/92/25/599719225.db2.gz URNMQXDRLQJAON-AWEZNQCLSA-N 0 1 391.468 2.478 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000738533835 599719227 /nfs/dbraw/zinc/71/92/27/599719227.db2.gz 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Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C)c1C(=O)[O-] ZINC000738237020 599785598 /nfs/dbraw/zinc/78/55/98/599785598.db2.gz RDECZHJKYDLQKE-HUUCEWRRSA-N 0 1 377.485 2.385 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C)c1C(=O)[O-] ZINC000738237020 599785600 /nfs/dbraw/zinc/78/56/00/599785600.db2.gz RDECZHJKYDLQKE-HUUCEWRRSA-N 0 1 377.485 2.385 20 0 GEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736775842 599795746 /nfs/dbraw/zinc/79/57/46/599795746.db2.gz SKJROHXFSWNVPP-OKILXGFUSA-N 0 1 376.457 2.118 20 0 GEADMN CC[C@@H](C)[C@@H](NC(=O)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736886048 599796631 /nfs/dbraw/zinc/79/66/31/599796631.db2.gz ORCVAQFPHYSIQN-VQIMIIECSA-N 0 1 375.513 2.198 20 0 GEADMN O=C([O-])COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000739822925 599808652 /nfs/dbraw/zinc/80/86/52/599808652.db2.gz FLDCJHLEXUTYGY-HXUWFJFHSA-N 0 1 384.432 2.287 20 0 GEADMN C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736741338 599839893 /nfs/dbraw/zinc/83/98/93/599839893.db2.gz KJWPZMSWZCUPHQ-RDTXWAMCSA-N 0 1 379.844 2.394 20 0 GEADMN COc1ccc([C@H]([NH2+]Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C(=O)[O-])cc1 ZINC000737967430 599858410 /nfs/dbraw/zinc/85/84/10/599858410.db2.gz AIXOFXMLGHCLCB-SFHVURJKSA-N 0 1 399.403 2.277 20 0 GEADMN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccsc1 ZINC000737361271 599878176 /nfs/dbraw/zinc/87/81/76/599878176.db2.gz MHAKHKXVGDZXJC-MRXNPFEDSA-N 0 1 389.477 2.123 20 0 GEADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736795206 599880022 /nfs/dbraw/zinc/88/00/22/599880022.db2.gz TZLDQZVXTQBBQY-OAHLLOKOSA-N 0 1 389.496 2.269 20 0 GEADMN COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000737858504 599895507 /nfs/dbraw/zinc/89/55/07/599895507.db2.gz MQQGENWZWLGCNC-LJQANCHMSA-N 0 1 384.432 2.288 20 0 GEADMN Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CC1 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YJUREPPYGGMLGD-MRXNPFEDSA-N 0 1 397.479 2.331 20 0 GEADMN C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736809461 599959712 /nfs/dbraw/zinc/95/97/12/599959712.db2.gz LGIUWXPAIDWYLP-OXQOHEQNSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736809461 599959714 /nfs/dbraw/zinc/95/97/14/599959714.db2.gz LGIUWXPAIDWYLP-OXQOHEQNSA-N 0 1 397.475 2.063 20 0 GEADMN Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)NC2(C(=O)[O-])CCCCC2)n1 ZINC000738371425 599969469 /nfs/dbraw/zinc/96/94/69/599969469.db2.gz XCJXJISPBXXSHK-QGZVFWFLSA-N 0 1 376.501 2.258 20 0 GEADMN Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)NC2(C(=O)[O-])CCCCC2)n1 ZINC000738371425 599969472 /nfs/dbraw/zinc/96/94/72/599969472.db2.gz XCJXJISPBXXSHK-QGZVFWFLSA-N 0 1 376.501 2.258 20 0 GEADMN Cc1c(C(=O)[O-])sc2[nH]c(CN3CCC[C@H]3[C@@H]3CCC[N@@H+]3C)nc(=O)c12 ZINC000738290267 599973593 /nfs/dbraw/zinc/97/35/93/599973593.db2.gz KAQWEQITMWJITH-RYUDHWBXSA-N 0 1 376.482 2.050 20 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IBVGCPPTVUHBGM-ZFWWWQNUSA-N 0 1 392.452 2.245 20 0 GEADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000831369414 602343893 /nfs/dbraw/zinc/34/38/93/602343893.db2.gz IBVGCPPTVUHBGM-ZFWWWQNUSA-N 0 1 392.452 2.245 20 0 GEADMN CCOC(=O)c1ccccc1NC(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000739479523 602388152 /nfs/dbraw/zinc/38/81/52/602388152.db2.gz QTOHZDSMQCTKOB-UHFFFAOYSA-N 0 1 377.441 2.124 20 0 GEADMN C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738950278 602398703 /nfs/dbraw/zinc/39/87/03/602398703.db2.gz MERUFWNKXIKHBF-UONOGXRCSA-N 0 1 383.439 2.334 20 0 GEADMN CN(C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739638159 602399071 /nfs/dbraw/zinc/39/90/71/602399071.db2.gz VBDGVFNFQGXDKH-YJBOKZPZSA-N 0 1 393.459 2.047 20 0 GEADMN C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000830772230 602402622 /nfs/dbraw/zinc/40/26/22/602402622.db2.gz DICSYBMRNUBYRB-UHFFFAOYSA-N 0 1 379.432 2.233 20 0 GEADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CC2)cn1 ZINC000737050136 602421740 /nfs/dbraw/zinc/42/17/40/602421740.db2.gz KDTAXZUBYBTTNL-QGZVFWFLSA-N 0 1 379.505 2.010 20 0 GEADMN CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CC2)cn1 ZINC000737050136 602421742 /nfs/dbraw/zinc/42/17/42/602421742.db2.gz KDTAXZUBYBTTNL-QGZVFWFLSA-N 0 1 379.505 2.010 20 0 GEADMN CCC1CCC2(CC1)NC(=O)N(C[NH+]1CCC([C@H](C)NC(=O)[O-])CC1)C2=O ZINC000739265034 602424892 /nfs/dbraw/zinc/42/48/92/602424892.db2.gz HQZMYPWUUBDAQN-CDJWAVJASA-N 0 1 380.489 2.203 20 0 GEADMN Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)c(C)c1 ZINC000740142443 602449451 /nfs/dbraw/zinc/44/94/51/602449451.db2.gz YDBWSFNWAQIUDT-CQSZACIVSA-N 0 1 376.457 2.320 20 0 GEADMN C[C@@H](NC(=O)[O-])C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000739024503 602456597 /nfs/dbraw/zinc/45/65/97/602456597.db2.gz IRPXUAAHVJYLHL-IAQYHMDHSA-N 0 1 379.844 2.340 20 0 GEADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](CN(C)C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739186185 602484948 /nfs/dbraw/zinc/48/49/48/602484948.db2.gz SCKQLRKWBBLSJV-JFIYKMOQSA-N 0 1 389.496 2.368 20 0 GEADMN CCN(CC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)C1CC1 ZINC000825394370 607570546 /nfs/dbraw/zinc/57/05/46/607570546.db2.gz AUJNLFDEHWRWSV-UHFFFAOYSA-N 0 1 379.424 2.477 20 0 GEADMN CN(C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1)C(=O)[O-] ZINC000739659502 602528152 /nfs/dbraw/zinc/52/81/52/602528152.db2.gz DCCBCCXVMDBLOT-LLVKDONJSA-N 0 1 391.365 2.392 20 0 GEADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737565871 602534474 /nfs/dbraw/zinc/53/44/74/602534474.db2.gz IYRKGHXQXZPKLM-AWEZNQCLSA-N 0 1 388.468 2.215 20 0 GEADMN CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739660530 602540287 /nfs/dbraw/zinc/54/02/87/602540287.db2.gz NIRVOVARCNKKHP-AWEZNQCLSA-N 0 1 385.411 2.178 20 0 GEADMN CCC[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354283 602545807 /nfs/dbraw/zinc/54/58/07/602545807.db2.gz PYKHEJCOWIWAIS-OAHLLOKOSA-N 0 1 388.468 2.216 20 0 GEADMN CCC[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354283 602545808 /nfs/dbraw/zinc/54/58/08/602545808.db2.gz PYKHEJCOWIWAIS-OAHLLOKOSA-N 0 1 388.468 2.216 20 0 GEADMN O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000740692163 602568687 /nfs/dbraw/zinc/56/86/87/602568687.db2.gz VZIXSLIHMBEVAZ-HXUWFJFHSA-N 0 1 397.475 2.014 20 0 GEADMN O=C([O-])N1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000740411206 602599344 /nfs/dbraw/zinc/59/93/44/602599344.db2.gz IGWCFAYRLZLMPO-GJZGRUSLSA-N 0 1 380.514 2.402 20 0 GEADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740239446 602651355 /nfs/dbraw/zinc/65/13/55/602651355.db2.gz KSFOMZHBBUEIMZ-HNNXBMFYSA-N 0 1 386.456 2.155 20 0 GEADMN O=C([O-])N1CCC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000740424235 602654090 /nfs/dbraw/zinc/65/40/90/602654090.db2.gz CERUFIHFLRKEDB-LPHOPBHVSA-N 0 1 389.496 2.081 20 0 GEADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740238028 602705170 /nfs/dbraw/zinc/70/51/70/602705170.db2.gz BHDUSEJDDUTLFH-CYBMUJFWSA-N 0 1 386.456 2.153 20 0 GEADMN C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000739151545 602748105 /nfs/dbraw/zinc/74/81/05/602748105.db2.gz HKBBJBIEEZXXKA-HUUCEWRRSA-N 0 1 380.514 2.354 20 0 GEADMN CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000738863475 602761346 /nfs/dbraw/zinc/76/13/46/602761346.db2.gz NVWCYCXQDPXTBB-CRAIPNDOSA-N 0 1 377.485 2.206 20 0 GEADMN CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000738863475 602761348 /nfs/dbraw/zinc/76/13/48/602761348.db2.gz NVWCYCXQDPXTBB-CRAIPNDOSA-N 0 1 377.485 2.206 20 0 GEADMN C[C@H]1C[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739178337 602762454 /nfs/dbraw/zinc/76/24/54/602762454.db2.gz YRILJCKQFZVAIF-LPHOPBHVSA-N 0 1 389.496 2.172 20 0 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/nfs/dbraw/zinc/75/12/68/606751268.db2.gz NJCHHTPBACYKTP-UHFFFAOYSA-N 0 1 378.845 2.387 20 0 GEADMN Cc1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1F ZINC000822266497 606751416 /nfs/dbraw/zinc/75/14/16/606751416.db2.gz BGFURQZWJRDKNE-UHFFFAOYSA-N 0 1 376.417 2.181 20 0 GEADMN Cc1ccc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)cn1 ZINC000822237339 606762627 /nfs/dbraw/zinc/76/26/27/606762627.db2.gz PNKZYXUTAJNRDJ-UHFFFAOYSA-N 0 1 392.423 2.140 20 0 GEADMN C[C@H](CCc1ccccc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820254461 606882464 /nfs/dbraw/zinc/88/24/64/606882464.db2.gz PVBKCJWFNIUBHU-LLVKDONJSA-N 0 1 393.419 2.445 20 0 GEADMN O=S(=O)(N[C@H]1CCc2c1cccc2F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572541 606888863 /nfs/dbraw/zinc/88/88/63/606888863.db2.gz ISBRAPDSYVSCPQ-AWEZNQCLSA-N 0 1 395.366 2.250 20 0 GEADMN O=S(=O)(NC/C=C/c1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572898 606891032 /nfs/dbraw/zinc/89/10/32/606891032.db2.gz OOWVCJOTEWSSSF-QPJJXVBHSA-N 0 1 377.376 2.137 20 0 GEADMN O=S(=O)(N[C@H]1C[C@H]1Cc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573754 606893221 /nfs/dbraw/zinc/89/32/21/606893221.db2.gz YQSDHUDSRCYZBE-ABAIWWIYSA-N 0 1 391.403 2.054 20 0 GEADMN Oc1cccc(CN2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000823733036 606929062 /nfs/dbraw/zinc/92/90/62/606929062.db2.gz SBMOUWLSXXAJMQ-UHFFFAOYSA-N 0 1 394.479 2.159 20 0 GEADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)nc2)CC1 ZINC000821583343 606936727 /nfs/dbraw/zinc/93/67/27/606936727.db2.gz RSAORENBUJSBMP-UHFFFAOYSA-N 0 1 398.496 2.106 20 0 GEADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)nc2)CC1 ZINC000821583343 606936728 /nfs/dbraw/zinc/93/67/28/606936728.db2.gz RSAORENBUJSBMP-UHFFFAOYSA-N 0 1 398.496 2.106 20 0 GEADMN CC(C)OCCN1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000820146676 606939221 /nfs/dbraw/zinc/93/92/21/606939221.db2.gz QRWNSYHZPVJQOR-UHFFFAOYSA-N 0 1 384.406 2.433 20 0 GEADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821571741 606978826 /nfs/dbraw/zinc/97/88/26/606978826.db2.gz CPGBTTYARGAODR-CYBMUJFWSA-N 0 1 376.436 2.447 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819940402 607069314 /nfs/dbraw/zinc/06/93/14/607069314.db2.gz ZZYQNPVRMPRPNF-CQSZACIVSA-N 0 1 376.436 2.495 20 0 GEADMN O=C(/C=C/SCc1ccco1)Nc1nc2n(c1-c1nn[nH]n1)CCS2 ZINC000822922773 607144966 /nfs/dbraw/zinc/14/49/66/607144966.db2.gz JOGWRLGGPILNAK-ZZXKWVIFSA-N 0 1 375.439 2.148 20 0 GEADMN Cc1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1F ZINC000822284599 607155945 /nfs/dbraw/zinc/15/59/45/607155945.db2.gz WQEVVKJMKLTQAL-UHFFFAOYSA-N 0 1 397.414 2.142 20 0 GEADMN Cc1ncsc1-c1nc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)no1 ZINC000822482319 607157673 /nfs/dbraw/zinc/15/76/73/607157673.db2.gz PNRUOOHYXNWUME-UHFFFAOYSA-N 0 1 392.404 2.045 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000822200262 607168157 /nfs/dbraw/zinc/16/81/57/607168157.db2.gz ZZFNKRJPDNVDRT-PXAZEXFGSA-N 0 1 383.456 2.049 20 0 GEADMN OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823713048 607175320 /nfs/dbraw/zinc/17/53/20/607175320.db2.gz CMDZAUCTXZVWIB-WMLDXEAASA-N 0 1 399.886 2.210 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000823127285 607214400 /nfs/dbraw/zinc/21/44/00/607214400.db2.gz YXLKLBRMPQOCPT-OAHLLOKOSA-N 0 1 386.847 2.159 20 0 GEADMN FC(F)(F)c1ccc(-c2nn[nH]n2)cc1N1CC[C@@H](CN2CCOCC2)C1 ZINC000822723657 607228639 /nfs/dbraw/zinc/22/86/39/607228639.db2.gz JUFPDWAZLJFHKS-LBPRGKRZSA-N 0 1 382.390 2.044 20 0 GEADMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820804587 607238029 /nfs/dbraw/zinc/23/80/29/607238029.db2.gz VMRXCUIGSRKYJK-GDBMZVCRSA-N 0 1 384.484 2.109 20 0 GEADMN Cc1ccc(CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000826287011 607814099 /nfs/dbraw/zinc/81/40/99/607814099.db2.gz YVQJBKZFSCKCKC-UHFFFAOYSA-N 0 1 380.452 2.045 20 0 GEADMN O=S(=O)(CCNCc1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485318 607814316 /nfs/dbraw/zinc/81/43/16/607814316.db2.gz LHYYQHGGLDSAGI-UHFFFAOYSA-N 0 1 377.857 2.084 20 0 GEADMN CSc1ccc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826230656 607815296 /nfs/dbraw/zinc/81/52/96/607815296.db2.gz DGWXCXJMIHPIIA-UHFFFAOYSA-N 0 1 389.506 2.152 20 0 GEADMN Clc1nsc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1-c1nnn[n-]1 ZINC000826354206 607849096 /nfs/dbraw/zinc/84/90/96/607849096.db2.gz SWJHDULBGVMJGJ-NSHDSACASA-N 0 1 383.909 2.058 20 0 GEADMN Clc1nsc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826354206 607849097 /nfs/dbraw/zinc/84/90/97/607849097.db2.gz SWJHDULBGVMJGJ-NSHDSACASA-N 0 1 383.909 2.058 20 0 GEADMN CC1(NC(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)CCC1 ZINC000824832635 607861784 /nfs/dbraw/zinc/86/17/84/607861784.db2.gz ULWKQHFZNYITIJ-UHFFFAOYSA-N 0 1 397.439 2.390 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826175919 607942862 /nfs/dbraw/zinc/94/28/62/607942862.db2.gz VCSSXFCMCVNFFH-IRXDYDNUSA-N 0 1 399.426 2.201 20 0 GEADMN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000824754576 608011883 /nfs/dbraw/zinc/01/18/83/608011883.db2.gz IOVWNALPZZRLDT-HUUCEWRRSA-N 0 1 397.435 2.435 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc(C)c3o2)c1-c1nnn[n-]1 ZINC000826083048 608019874 /nfs/dbraw/zinc/01/98/74/608019874.db2.gz HFBBAHYGVFRHTM-UHFFFAOYSA-N 0 1 380.412 2.049 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc(C)c3o2)c1-c1nn[n-]n1 ZINC000826083048 608019875 /nfs/dbraw/zinc/01/98/75/608019875.db2.gz HFBBAHYGVFRHTM-UHFFFAOYSA-N 0 1 380.412 2.049 20 0 GEADMN CC[C@@H](C)Oc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825075283 608020117 /nfs/dbraw/zinc/02/01/17/608020117.db2.gz ODSVTPPNESWQCR-GFCCVEGCSA-N 0 1 398.471 2.171 20 0 GEADMN CC[C@@H](C)Oc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825075283 608020118 /nfs/dbraw/zinc/02/01/18/608020118.db2.gz ODSVTPPNESWQCR-GFCCVEGCSA-N 0 1 398.471 2.171 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3sccc3s2)c1-c1nnn[n-]1 ZINC000826083780 608021410 /nfs/dbraw/zinc/02/14/10/608021410.db2.gz QLGUWVRSORITNX-UHFFFAOYSA-N 0 1 388.482 2.270 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3sccc3s2)c1-c1nn[n-]n1 ZINC000826083780 608021411 /nfs/dbraw/zinc/02/14/11/608021411.db2.gz QLGUWVRSORITNX-UHFFFAOYSA-N 0 1 388.482 2.270 20 0 GEADMN CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825158968 608035305 /nfs/dbraw/zinc/03/53/05/608035305.db2.gz FXAUINCLAVXFOL-AWEZNQCLSA-N 0 1 376.415 2.466 20 0 GEADMN CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825158968 608035306 /nfs/dbraw/zinc/03/53/06/608035306.db2.gz FXAUINCLAVXFOL-AWEZNQCLSA-N 0 1 376.415 2.466 20 0 GEADMN CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825158968 608035307 /nfs/dbraw/zinc/03/53/07/608035307.db2.gz FXAUINCLAVXFOL-AWEZNQCLSA-N 0 1 376.415 2.466 20 0 GEADMN CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825158968 608035308 /nfs/dbraw/zinc/03/53/08/608035308.db2.gz FXAUINCLAVXFOL-AWEZNQCLSA-N 0 1 376.415 2.466 20 0 GEADMN C[N@H+](CCCOc1cccc(Cl)c1)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825923733 608035955 /nfs/dbraw/zinc/03/59/55/608035955.db2.gz TVVTVQWLXLNFHT-UHFFFAOYSA-N 0 1 390.879 2.159 20 0 GEADMN C[N@@H+](CCCOc1cccc(Cl)c1)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825923733 608035956 /nfs/dbraw/zinc/03/59/56/608035956.db2.gz TVVTVQWLXLNFHT-UHFFFAOYSA-N 0 1 390.879 2.159 20 0 GEADMN C[N@H+](CCCOc1cccc(Cl)c1)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825923733 608035957 /nfs/dbraw/zinc/03/59/57/608035957.db2.gz TVVTVQWLXLNFHT-UHFFFAOYSA-N 0 1 390.879 2.159 20 0 GEADMN C[N@@H+](CCCOc1cccc(Cl)c1)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825923733 608035958 /nfs/dbraw/zinc/03/59/58/608035958.db2.gz TVVTVQWLXLNFHT-UHFFFAOYSA-N 0 1 390.879 2.159 20 0 GEADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC2(CCOC2)CC1 ZINC000824045301 608041843 /nfs/dbraw/zinc/04/18/43/608041843.db2.gz KWFWNSRMSHHILT-GFCCVEGCSA-N 0 1 390.875 2.350 20 0 GEADMN COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188181 608064498 /nfs/dbraw/zinc/06/44/98/608064498.db2.gz POYABQWNWGDFQR-UYAOXDASSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@@](C)(O)[C@H]2CCC[N@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188181 608064499 /nfs/dbraw/zinc/06/44/99/608064499.db2.gz POYABQWNWGDFQR-UYAOXDASSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188181 608064500 /nfs/dbraw/zinc/06/45/00/608064500.db2.gz POYABQWNWGDFQR-UYAOXDASSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@@](C)(O)[C@H]2CCC[N@H+]2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188181 608064501 /nfs/dbraw/zinc/06/45/01/608064501.db2.gz POYABQWNWGDFQR-UYAOXDASSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188178 608064600 /nfs/dbraw/zinc/06/46/00/608064600.db2.gz POYABQWNWGDFQR-AZUAARDMSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@@](C)(O)[C@@H]2CCC[N@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188178 608064601 /nfs/dbraw/zinc/06/46/01/608064601.db2.gz POYABQWNWGDFQR-AZUAARDMSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188178 608064602 /nfs/dbraw/zinc/06/46/02/608064602.db2.gz POYABQWNWGDFQR-AZUAARDMSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@@](C)(O)[C@@H]2CCC[N@H+]2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188178 608064603 /nfs/dbraw/zinc/06/46/03/608064603.db2.gz POYABQWNWGDFQR-AZUAARDMSA-N 0 1 380.452 2.142 20 0 GEADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)n[nH]1 ZINC000825740688 608106260 /nfs/dbraw/zinc/10/62/60/608106260.db2.gz YKANTGMNKPCCFE-ZETCQYMHSA-N 0 1 395.349 2.449 20 0 GEADMN C[C@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824400364 608126428 /nfs/dbraw/zinc/12/64/28/608126428.db2.gz GBGYEPSLMVMNSG-GFCCVEGCSA-N 0 1 398.920 2.063 20 0 GEADMN C[C@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824400364 608126429 /nfs/dbraw/zinc/12/64/29/608126429.db2.gz GBGYEPSLMVMNSG-GFCCVEGCSA-N 0 1 398.920 2.063 20 0 GEADMN Cc1cccc([C@H]2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826297988 608128025 /nfs/dbraw/zinc/12/80/25/608128025.db2.gz YRVXDYSKSHIETB-IBGZPJMESA-N 0 1 376.464 2.281 20 0 GEADMN CCC[C@H](C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[nH]n2)c1)N(C)C ZINC000825226017 608200830 /nfs/dbraw/zinc/20/08/30/608200830.db2.gz XTMCPCHKRISLNU-CQSZACIVSA-N 0 1 375.433 2.104 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N2CC(N(C)C)C2)cc1 ZINC000826254938 608209570 /nfs/dbraw/zinc/20/95/70/608209570.db2.gz GFLRVUFIGANXJJ-UHFFFAOYSA-N 0 1 378.436 2.353 20 0 GEADMN c1cc2nc(N[C@H]3CCCC[C@H]3N3CCOCC3)ccc2cc1-c1nn[nH]n1 ZINC000826518416 608234077 /nfs/dbraw/zinc/23/40/77/608234077.db2.gz MWLACLJYUZNDNP-ZWKOTPCHSA-N 0 1 379.468 2.470 20 0 GEADMN Cc1cccc2nc(CNC(=O)NCc3ccc(-c4nn[nH]n4)cc3F)[nH]c21 ZINC000826304399 608240430 /nfs/dbraw/zinc/24/04/30/608240430.db2.gz JYLAXMAHCJEJHJ-UHFFFAOYSA-N 0 1 380.387 2.190 20 0 GEADMN CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825192828 608264166 /nfs/dbraw/zinc/26/41/66/608264166.db2.gz JFGUIRPGHDCKSA-ZIAGYGMSSA-N 0 1 380.456 2.254 20 0 GEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825192828 608264167 /nfs/dbraw/zinc/26/41/67/608264167.db2.gz JFGUIRPGHDCKSA-ZIAGYGMSSA-N 0 1 380.456 2.254 20 0 GEADMN CCC[C@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CCN1CCOC ZINC000825251482 608307610 /nfs/dbraw/zinc/30/76/10/608307610.db2.gz BOGNGSYCBDVWTG-HNNXBMFYSA-N 0 1 387.488 2.140 20 0 GEADMN O[C@H](CN1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000826510909 608391140 /nfs/dbraw/zinc/39/11/40/608391140.db2.gz RAAMXMYUGADVGU-GOSISDBHSA-N 0 1 384.871 2.376 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000826170239 608429602 /nfs/dbraw/zinc/42/96/02/608429602.db2.gz TUTNGMJMFCNBOY-IBGZPJMESA-N 0 1 394.479 2.038 20 0 GEADMN C[C@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000824571489 608433263 /nfs/dbraw/zinc/43/32/63/608433263.db2.gz QVNZJLKPNLYLKP-WCQYABFASA-N 0 1 375.379 2.235 20 0 GEADMN c1ccc(C[N@@H+]2CCC3(C2)CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)cc1 ZINC000826521572 608439486 /nfs/dbraw/zinc/43/94/86/608439486.db2.gz REUWMHXUVPMJBV-UHFFFAOYSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@H+]2CCC3(C2)CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)cc1 ZINC000826521572 608439488 /nfs/dbraw/zinc/43/94/88/608439488.db2.gz REUWMHXUVPMJBV-UHFFFAOYSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@@H+]2CCC3(C2)CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)cc1 ZINC000826521572 608439490 /nfs/dbraw/zinc/43/94/90/608439490.db2.gz REUWMHXUVPMJBV-UHFFFAOYSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@H+]2CCC3(C2)CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)cc1 ZINC000826521572 608439492 /nfs/dbraw/zinc/43/94/92/608439492.db2.gz REUWMHXUVPMJBV-UHFFFAOYSA-N 0 1 376.468 2.149 20 0 GEADMN Cc1cccc(C)c1OCCNC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826297223 608460655 /nfs/dbraw/zinc/46/06/55/608460655.db2.gz ZESKJGFJRCWPEM-INIZCTEOSA-N 0 1 394.479 2.329 20 0 GEADMN CC(=O)Nc1cccc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824005497 608464785 /nfs/dbraw/zinc/46/47/85/608464785.db2.gz VICYPJRGDWRLJP-GFCCVEGCSA-N 0 1 379.424 2.114 20 0 GEADMN Cc1ccc2nc(CN3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)cc(=O)n2c1 ZINC000826295476 608466126 /nfs/dbraw/zinc/46/61/26/608466126.db2.gz ITPRIAQNKAAWTO-UHFFFAOYSA-N 0 1 399.458 2.472 20 0 GEADMN C[C@H](NCC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555917 608466425 /nfs/dbraw/zinc/46/64/25/608466425.db2.gz YPJKKJCFUQHAJE-QDKFARMDSA-N 0 1 380.496 2.458 20 0 GEADMN COc1ccccc1[C@H](C)NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826218785 608467105 /nfs/dbraw/zinc/46/71/05/608467105.db2.gz KVMXYJRIDOLDSC-KBPBESRZSA-N 0 1 380.452 2.403 20 0 GEADMN CCOC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825564810 608468181 /nfs/dbraw/zinc/46/81/81/608468181.db2.gz GGTNUKZIOVYLLG-CYBMUJFWSA-N 0 1 394.435 2.333 20 0 GEADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000824530735 608468375 /nfs/dbraw/zinc/46/83/75/608468375.db2.gz MZFNMQNZKZZGOC-QWRGUYRKSA-N 0 1 392.423 2.126 20 0 GEADMN C[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)Oc1ccc(Br)cc1 ZINC000446263366 649975653 /nfs/dbraw/zinc/97/56/53/649975653.db2.gz ADLXCYOVNLBVSD-JTQLQIEISA-N 0 1 379.258 2.015 20 0 GEADMN C[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(-c2nn[nH]n2)c1 ZINC000824611713 608483241 /nfs/dbraw/zinc/48/32/41/608483241.db2.gz DBZYPMKUWLKNRA-NSHDSACASA-N 0 1 381.827 2.379 20 0 GEADMN O=C(NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)c1ccc(F)cc1 ZINC000826431508 608517766 /nfs/dbraw/zinc/51/77/66/608517766.db2.gz CWVVMWMQGIIFKV-UHFFFAOYSA-N 0 1 386.456 2.462 20 0 GEADMN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)[C@H](C)CN1C ZINC000446300009 649976865 /nfs/dbraw/zinc/97/68/65/649976865.db2.gz XGDJWWNBQPGJHZ-JTNHKYCSSA-N 0 1 380.286 2.426 20 0 GEADMN Cc1oc(NC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c(-c2nn[n-]n2)c1C ZINC000826341592 608526929 /nfs/dbraw/zinc/52/69/29/608526929.db2.gz LPRVMUOTWRGGPB-CRAIPNDOSA-N 0 1 396.451 2.382 20 0 GEADMN C[C@H]1CCCC[C@@H]1OCCNC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824936628 608528989 /nfs/dbraw/zinc/52/89/89/608528989.db2.gz KMPKVLDKBYEKGV-YJBOKZPZSA-N 0 1 398.511 2.157 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCc1c(F)cccc1F ZINC000826412443 608531803 /nfs/dbraw/zinc/53/18/03/608531803.db2.gz OESULDNJMOHHCM-UHFFFAOYSA-N 0 1 398.417 2.083 20 0 GEADMN Cc1ccccc1CCNC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826307013 608532555 /nfs/dbraw/zinc/53/25/55/608532555.db2.gz STWIWRMZQXXWJB-UHFFFAOYSA-N 0 1 376.464 2.113 20 0 GEADMN CC(C)(NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000824167723 608534509 /nfs/dbraw/zinc/53/45/09/608534509.db2.gz SNNYTJQECFMEDW-UHFFFAOYSA-N 0 1 389.456 2.304 20 0 GEADMN COC[C@@H](NC[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000826150699 608552301 /nfs/dbraw/zinc/55/23/01/608552301.db2.gz JWMXZCYWNOMYDV-SJORKVTESA-N 0 1 375.379 2.156 20 0 GEADMN CCC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CCN1Cc1ccccc1 ZINC000825254238 608591216 /nfs/dbraw/zinc/59/12/16/608591216.db2.gz RNJCKLXLCMYMEI-SFHVURJKSA-N 0 1 393.495 2.332 20 0 GEADMN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)[C@H](C)CN1C ZINC000824974702 608593761 /nfs/dbraw/zinc/59/37/61/608593761.db2.gz DGNKHLYUCVUGNM-ZIAGYGMSSA-N 0 1 393.451 2.219 20 0 GEADMN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826190175 608710472 /nfs/dbraw/zinc/71/04/72/608710472.db2.gz RZRPXFBCYWTRPX-OAHLLOKOSA-N 0 1 382.424 2.380 20 0 GEADMN CC(C)c1nc(CN(C)[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC000824359311 608739639 /nfs/dbraw/zinc/73/96/39/608739639.db2.gz UZYWUMCHQWIKIC-LBPRGKRZSA-N 0 1 388.501 2.141 20 0 GEADMN CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC000824359311 608739641 /nfs/dbraw/zinc/73/96/41/608739641.db2.gz UZYWUMCHQWIKIC-LBPRGKRZSA-N 0 1 388.501 2.141 20 0 GEADMN CC[C@H](C[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000825121931 608834364 /nfs/dbraw/zinc/83/43/64/608834364.db2.gz VZDNIBVCGWNPIM-HZPDHXFCSA-N 0 1 378.484 2.361 20 0 GEADMN CC[C@H](C[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000825121931 608834366 /nfs/dbraw/zinc/83/43/66/608834366.db2.gz VZDNIBVCGWNPIM-HZPDHXFCSA-N 0 1 378.484 2.361 20 0 GEADMN CC[C@H](C[N@@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000825121931 608834368 /nfs/dbraw/zinc/83/43/68/608834368.db2.gz VZDNIBVCGWNPIM-HZPDHXFCSA-N 0 1 378.484 2.361 20 0 GEADMN CC[C@H](C[N@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000825121931 608834370 /nfs/dbraw/zinc/83/43/70/608834370.db2.gz VZDNIBVCGWNPIM-HZPDHXFCSA-N 0 1 378.484 2.361 20 0 GEADMN C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598810 609136559 /nfs/dbraw/zinc/13/65/59/609136559.db2.gz JJDZJDQXQBMYEM-LBPRGKRZSA-N 0 1 375.429 2.130 20 0 GEADMN CC[C@H]1C[C@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181061 609140670 /nfs/dbraw/zinc/14/06/70/609140670.db2.gz BWWNTADSHNCITF-MOPGFXCFSA-N 0 1 398.511 2.106 20 0 GEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000825049509 609144714 /nfs/dbraw/zinc/14/47/14/609144714.db2.gz BUDBQKSALPADIE-STQMWFEESA-N 0 1 399.455 2.446 20 0 GEADMN C[C@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C[C@@H](C)C1 ZINC000824873978 609147201 /nfs/dbraw/zinc/14/72/01/609147201.db2.gz AQYVAPJBALDTOQ-NHAGDIPZSA-N 0 1 399.499 2.453 20 0 GEADMN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1=O ZINC000826220522 609153909 /nfs/dbraw/zinc/15/39/09/609153909.db2.gz QFSPIGNWOAATGC-BLLLJJGKSA-N 0 1 396.426 2.471 20 0 GEADMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826467598 609157321 /nfs/dbraw/zinc/15/73/21/609157321.db2.gz DHJCNPIJOGRACV-UHFFFAOYSA-N 0 1 388.185 2.191 20 0 GEADMN COc1ccc([C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)N2CCCCC2)cc1 ZINC000826189116 609189466 /nfs/dbraw/zinc/18/94/66/609189466.db2.gz NVVCBDGUFJRPBZ-GOSISDBHSA-N 0 1 395.467 2.160 20 0 GEADMN COCc1cccc(OCC2(Cn3cccc(-c4nn[nH]n4)c3=O)CCC2)c1 ZINC000826164676 609280857 /nfs/dbraw/zinc/28/08/57/609280857.db2.gz KPYDUGFLSHACTA-UHFFFAOYSA-N 0 1 381.436 2.424 20 0 GEADMN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CCC[C@H](OC(F)F)C1 ZINC000826335029 609281241 /nfs/dbraw/zinc/28/12/41/609281241.db2.gz USKKLZPXNRTAIC-AWEZNQCLSA-N 0 1 390.398 2.095 20 0 GEADMN C[C@H](NC[C@H](O)COc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824569586 609328967 /nfs/dbraw/zinc/32/89/67/609328967.db2.gz JBJUFJXOJIJXHD-FZMZJTMJSA-N 0 1 375.379 2.235 20 0 GEADMN C[C@@H]1CC[C@]2(CCN([C@H]3CC(=O)N(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824915527 609367384 /nfs/dbraw/zinc/36/73/84/609367384.db2.gz FTUSHXLSHSEZIP-PSGMQZRDSA-N 0 1 380.452 2.011 20 0 GEADMN O[C@H]1CC[N@H+](Cc2ccccc2CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826506750 609388504 /nfs/dbraw/zinc/38/85/04/609388504.db2.gz BABZVGAXAPPMOY-LBPRGKRZSA-N 0 1 391.888 2.155 20 0 GEADMN O[C@H]1CC[N@@H+](Cc2ccccc2CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826506750 609388506 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CCOc1ccc(Br)cc1S(=O)(=O)NCCN1CC[C@@H](C)C1 ZINC000608745189 651604739 /nfs/dbraw/zinc/60/47/39/651604739.db2.gz BVTUUSXHTAHQOW-GFCCVEGCSA-N 0 1 391.331 2.468 20 0 GEADMN CCCN(CCN1CCCC1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000566812922 651614827 /nfs/dbraw/zinc/61/48/27/651614827.db2.gz YFFSXLSJLPWZRJ-UHFFFAOYSA-N 0 1 385.921 2.188 20 0 GEADMN CO[C@@H](CS(=O)(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000645532236 651617084 /nfs/dbraw/zinc/61/70/84/651617084.db2.gz HCGSMRYJLXELCL-INIZCTEOSA-N 0 1 376.588 2.083 20 0 GEADMN O=C(Nc1cnn(-c2ccncc2)c1)c1cc(I)c[nH]1 ZINC000609662121 651629118 /nfs/dbraw/zinc/62/91/18/651629118.db2.gz XSDVFPJTUMJFMS-UHFFFAOYSA-N 0 1 379.161 2.452 20 0 GEADMN COC(=O)[C@@](C)(NC(=O)c1[nH]nc2c1CCC2)c1cccc(Br)c1 ZINC000731641678 651629827 /nfs/dbraw/zinc/62/98/27/651629827.db2.gz QAOYQCVREFQHDZ-KRWDZBQOSA-N 0 1 392.253 2.479 20 0 GEADMN Cc1nn(C)c(Cl)c1COC(=O)c1ccc(F)cc1NS(C)(=O)=O ZINC000731711207 651633221 /nfs/dbraw/zinc/63/32/21/651633221.db2.gz UMNHKKVKHZIJAB-UHFFFAOYSA-N 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/nfs/dbraw/zinc/68/43/51/651684351.db2.gz WYBHIHPLZSWEDE-UHFFFAOYSA-N 0 1 392.036 2.291 20 0 GEADMN CN1CCN(C)[C@H](CNC(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000568961126 651692263 /nfs/dbraw/zinc/69/22/63/651692263.db2.gz JPCYKYAWAPSHDQ-GFCCVEGCSA-N 0 1 382.306 2.089 20 0 GEADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@@H]1CSc2ccccc21 ZINC000569056697 651697054 /nfs/dbraw/zinc/69/70/54/651697054.db2.gz NQSPWWGQVLAINB-CYBMUJFWSA-N 0 1 384.429 2.206 20 0 GEADMN O=C(CN1CCc2cn[nH]c2C1)Nc1cccc(I)c1 ZINC000611009247 651699178 /nfs/dbraw/zinc/69/91/78/651699178.db2.gz VXZDZTWILLJTGM-UHFFFAOYSA-N 0 1 382.205 2.011 20 0 GEADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000611078360 651704536 /nfs/dbraw/zinc/70/45/36/651704536.db2.gz SALZSBGECRQJMA-UHFFFAOYSA-N 0 1 386.788 2.165 20 0 GEADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1cccc2c1OCCO2 ZINC000569332776 651706851 /nfs/dbraw/zinc/70/68/51/651706851.db2.gz XABOOGTZTVRJTE-UHFFFAOYSA-N 0 1 382.507 2.272 20 0 GEADMN C[C@H](C(=O)Nc1cccc(I)c1)N(C)C[C@@H](O)C1CC1 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2.431 20 0 GEADMN COc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000647187488 651734557 /nfs/dbraw/zinc/73/45/57/651734557.db2.gz OVQSMQRPUQYSGB-LBPRGKRZSA-N 0 1 375.372 2.087 20 0 GEADMN CN(C)[C@@H](CNC(=O)c1sccc1S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000611799091 651736237 /nfs/dbraw/zinc/73/62/37/651736237.db2.gz KCLYWHMMFIQCRX-LBPRGKRZSA-N 0 1 387.914 2.082 20 0 GEADMN CCN1CC[C@H]2OCCN(C(=O)c3[nH]nc(C(C)C)c3Br)[C@H]2C1 ZINC000647220129 651737238 /nfs/dbraw/zinc/73/72/38/651737238.db2.gz CGEKJHANEGCTOV-NWDGAFQWSA-N 0 1 385.306 2.231 20 0 GEADMN CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1n[nH]c(C)c1Br ZINC000734138232 651737164 /nfs/dbraw/zinc/73/71/64/651737164.db2.gz CXIRMVBBUNVJFE-JTQLQIEISA-N 0 1 390.278 2.159 20 0 GEADMN CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc3c2CC[N@@H+](C)C3)s1 ZINC000647270076 651738335 /nfs/dbraw/zinc/73/83/35/651738335.db2.gz LXAWSPZPDPJCEX-UHFFFAOYSA-N 0 1 379.507 2.173 20 0 GEADMN CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc3c2CC[N@H+](C)C3)s1 ZINC000647270076 651738338 /nfs/dbraw/zinc/73/83/38/651738338.db2.gz LXAWSPZPDPJCEX-UHFFFAOYSA-N 0 1 379.507 2.173 20 0 GEADMN C[C@H]1NCCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)[C@H]1C ZINC000647287054 651741649 /nfs/dbraw/zinc/74/16/49/651741649.db2.gz HYVZECGGQFAAAP-MNOVXSKESA-N 0 1 386.315 2.312 20 0 GEADMN CC(C)(NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1c[nH]nn1 ZINC000734403599 651744488 /nfs/dbraw/zinc/74/44/88/651744488.db2.gz MWBFPXSBXGJOGQ-UHFFFAOYSA-N 0 1 381.889 2.423 20 0 GEADMN CC(C)(C(=O)NC[C@@H]1CN2CCN1CCC2)c1cccc(Br)c1 ZINC000647679303 651754077 /nfs/dbraw/zinc/75/40/77/651754077.db2.gz XIWPEKGUVKNVDH-MRXNPFEDSA-N 0 1 380.330 2.233 20 0 GEADMN O=C(CCCOc1cccc(Br)c1)NC[C@@H]1CN2CCN1CCC2 ZINC000647679090 651754139 /nfs/dbraw/zinc/75/41/39/651754139.db2.gz NKWVYRIUJWMRAZ-MRXNPFEDSA-N 0 1 396.329 2.114 20 0 GEADMN NC(=O)c1csc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000647686971 651754883 /nfs/dbraw/zinc/75/48/83/651754883.db2.gz DXVVIZBUHHSJSM-UHFFFAOYSA-N 0 1 375.841 2.258 20 0 GEADMN 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599021824 /nfs/dbraw/zinc/02/18/24/599021824.db2.gz AQOHNYVIRDYMQC-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)C1 ZINC000736263988 599021826 /nfs/dbraw/zinc/02/18/26/599021826.db2.gz AQOHNYVIRDYMQC-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C1 ZINC000736263988 599021827 /nfs/dbraw/zinc/02/18/27/599021827.db2.gz AQOHNYVIRDYMQC-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C1 ZINC000736263988 599021829 /nfs/dbraw/zinc/02/18/29/599021829.db2.gz AQOHNYVIRDYMQC-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)CC[N@@H+]2C)cc1 ZINC000737075047 599028198 /nfs/dbraw/zinc/02/81/98/599028198.db2.gz IRNCZTQYNJISNY-YJBOKZPZSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)CC[N@H+]2C)cc1 ZINC000737075047 599028200 /nfs/dbraw/zinc/02/82/00/599028200.db2.gz IRNCZTQYNJISNY-YJBOKZPZSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)CC[N@@H+]2C)cc1 ZINC000737075047 599028203 /nfs/dbraw/zinc/02/82/03/599028203.db2.gz IRNCZTQYNJISNY-YJBOKZPZSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)CC[N@H+]2C)cc1 ZINC000737075047 599028205 /nfs/dbraw/zinc/02/82/05/599028205.db2.gz IRNCZTQYNJISNY-YJBOKZPZSA-N 0 1 394.435 2.120 20 0 GEADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H](CN2CCOCC2)C1 ZINC000822204714 599051155 /nfs/dbraw/zinc/05/11/55/599051155.db2.gz YINDMQGZUGBFTR-AWEZNQCLSA-N 0 1 397.458 2.021 20 0 GEADMN Cc1cc(N2CCN(Cc3ccccc3-c3nn[nH]n3)CC2)nc(C(C)C)n1 ZINC000737271512 599094529 /nfs/dbraw/zinc/09/45/29/599094529.db2.gz LKFSFOJLHLUSJI-UHFFFAOYSA-N 0 1 378.484 2.411 20 0 GEADMN NC(=O)[C@@H](NCC1(Sc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731446 599098028 /nfs/dbraw/zinc/09/80/28/599098028.db2.gz SCXKZJZECYBEAM-INIZCTEOSA-N 0 1 380.477 2.308 20 0 GEADMN C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736203991 599161894 /nfs/dbraw/zinc/16/18/94/599161894.db2.gz PCPQGDYSEWHVLJ-AWEZNQCLSA-N 0 1 377.452 2.217 20 0 GEADMN C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736203991 599161896 /nfs/dbraw/zinc/16/18/96/599161896.db2.gz PCPQGDYSEWHVLJ-AWEZNQCLSA-N 0 1 377.452 2.217 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2nnc(-c3cccc(F)c3)o2)c2ccccc12 ZINC000738372893 599167717 /nfs/dbraw/zinc/16/77/17/599167717.db2.gz XZRCYRKSOOGZLE-UHFFFAOYSA-N 0 1 389.350 2.419 20 0 GEADMN CN(CCC(=O)[O-])C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000818429092 596994239 /nfs/dbraw/zinc/99/42/39/596994239.db2.gz MZTKLRGXCZJAMO-UHFFFAOYSA-N 0 1 386.452 2.422 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000676233371 597085287 /nfs/dbraw/zinc/08/52/87/597085287.db2.gz OOJHMHGVFPWBRJ-LBPRGKRZSA-N 0 1 390.299 2.410 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000676233371 597085292 /nfs/dbraw/zinc/08/52/92/597085292.db2.gz OOJHMHGVFPWBRJ-LBPRGKRZSA-N 0 1 390.299 2.410 20 0 GEADMN O=C([O-])Cc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000738626413 597198676 /nfs/dbraw/zinc/19/86/76/597198676.db2.gz VIBZJYMCWRAKAB-UHFFFAOYSA-N 0 1 375.469 2.470 20 0 GEADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000819618485 597331106 /nfs/dbraw/zinc/33/11/06/597331106.db2.gz YXHWQLWFEMTIPL-OAQYLSRUSA-N 0 1 383.448 2.072 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000819513605 597455981 /nfs/dbraw/zinc/45/59/81/597455981.db2.gz PUMAKXICSSUAPB-OAHLLOKOSA-N 0 1 387.436 2.136 20 0 GEADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000820001401 607324590 /nfs/dbraw/zinc/32/45/90/607324590.db2.gz LABGMFVDCRCUIQ-UHFFFAOYSA-N 0 1 381.318 2.405 20 0 GEADMN C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000820620132 598022654 /nfs/dbraw/zinc/02/26/54/598022654.db2.gz GLUZQZZCLXIVPC-IAGOWNOFSA-N 0 1 385.395 2.024 20 0 GEADMN CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000635530170 598170707 /nfs/dbraw/zinc/17/07/07/598170707.db2.gz RRBJPYCFOSYQOO-ROUUACIJSA-N 0 1 382.549 2.220 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000821474753 598178938 /nfs/dbraw/zinc/17/89/38/598178938.db2.gz LSQJWKGUGAIZQW-FUHWJXTLSA-N 0 1 383.448 2.389 20 0 GEADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000635525564 598190806 /nfs/dbraw/zinc/19/08/06/598190806.db2.gz UVFDPRDMXMKKBU-CALCHBBNSA-N 0 1 388.512 2.085 20 0 GEADMN C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000820562710 598210409 /nfs/dbraw/zinc/21/04/09/598210409.db2.gz SBZQXKSOZTZYLR-UHFFFAOYSA-N 0 1 383.448 2.292 20 0 GEADMN C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000820562710 598210410 /nfs/dbraw/zinc/21/04/10/598210410.db2.gz SBZQXKSOZTZYLR-UHFFFAOYSA-N 0 1 383.448 2.292 20 0 GEADMN CCN1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)cc3F)cn2)CC1 ZINC000736568715 598239717 /nfs/dbraw/zinc/23/97/17/598239717.db2.gz LEGIICDLKYDAKC-UHFFFAOYSA-N 0 1 382.447 2.155 20 0 GEADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCN(CCCCCn2cccn2)CC1 ZINC000737641247 598246770 /nfs/dbraw/zinc/24/67/70/598246770.db2.gz VQMKWCPQPBZURB-UHFFFAOYSA-N 0 1 384.463 2.195 20 0 GEADMN Cc1ccc(C)n1C1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737332913 598249706 /nfs/dbraw/zinc/24/97/06/598249706.db2.gz YAVVAUBHUQPNLC-UHFFFAOYSA-N 0 1 393.495 2.238 20 0 GEADMN CC(C)N(C(=O)CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)C(C)C ZINC000735850363 598250142 /nfs/dbraw/zinc/25/01/42/598250142.db2.gz CKYJGAOPHRUMNP-UHFFFAOYSA-N 0 1 386.500 2.355 20 0 GEADMN O=S(=O)(Nc1cccnc1N1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738342764 598333858 /nfs/dbraw/zinc/33/38/58/598333858.db2.gz PMKCELNXKMALTO-UHFFFAOYSA-N 0 1 385.453 2.053 20 0 GEADMN C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CCN1C[C@@H](O)c1ccccc1 ZINC000736291000 598364251 /nfs/dbraw/zinc/36/42/51/598364251.db2.gz TVVZPCDKXVLTLZ-FOIQADDNSA-N 0 1 396.470 2.246 20 0 GEADMN Cc1noc2ncc(S(=O)(=O)Nc3ccc(Cl)c(-c4nn[nH]n4)c3)cc12 ZINC000737548108 598366899 /nfs/dbraw/zinc/36/68/99/598366899.db2.gz RVJLGGDGPAYYCF-UHFFFAOYSA-N 0 1 391.800 2.166 20 0 GEADMN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737510754 598368841 /nfs/dbraw/zinc/36/88/41/598368841.db2.gz NABFENKVJFJDPX-YOEHRIQHSA-N 0 1 394.483 2.381 20 0 GEADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000735558330 598373889 /nfs/dbraw/zinc/37/38/89/598373889.db2.gz AAWOSPLONOEPDT-KSSFIOAISA-N 0 1 377.452 2.380 20 0 GEADMN CCCN(C[C@H]1CCCCO1)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736472767 598410415 /nfs/dbraw/zinc/41/04/15/598410415.db2.gz ZCQXFNRCGHFIMY-LLVKDONJSA-N 0 1 392.485 2.111 20 0 GEADMN CC(C)C[C@@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735761927 598495863 /nfs/dbraw/zinc/49/58/63/598495863.db2.gz RYBLTYKQQYSJOT-CYBMUJFWSA-N 0 1 387.488 2.453 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1ccc(F)c(F)c1 ZINC000737981945 598504556 /nfs/dbraw/zinc/50/45/56/598504556.db2.gz KXLVBTANJYJLGS-UHFFFAOYSA-N 0 1 382.330 2.099 20 0 GEADMN CCCO[C@@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736489614 598506884 /nfs/dbraw/zinc/50/68/84/598506884.db2.gz XRUHRWGQTRSWFF-QZTJIDSGSA-N 0 1 384.484 2.253 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2noc(Cc3ccccc3)n2)c2ccccc21 ZINC000738372450 598585924 /nfs/dbraw/zinc/58/59/24/598585924.db2.gz QKZWVTIZZBTWEV-UHFFFAOYSA-N 0 1 385.387 2.204 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000737545950 598613914 /nfs/dbraw/zinc/61/39/14/598613914.db2.gz AHIWXMZBOKOPFI-GJZGRUSLSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000737545950 598613915 /nfs/dbraw/zinc/61/39/15/598613915.db2.gz AHIWXMZBOKOPFI-GJZGRUSLSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000737545950 598613916 /nfs/dbraw/zinc/61/39/16/598613916.db2.gz AHIWXMZBOKOPFI-GJZGRUSLSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000737545950 598613917 /nfs/dbraw/zinc/61/39/17/598613917.db2.gz AHIWXMZBOKOPFI-GJZGRUSLSA-N 0 1 395.467 2.258 20 0 GEADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000736168176 598625869 /nfs/dbraw/zinc/62/58/69/598625869.db2.gz IOTOKXBGMIQJLH-JTQLQIEISA-N 0 1 397.826 2.480 20 0 GEADMN Cc1cccc(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)C2)n1 ZINC000737400542 598671085 /nfs/dbraw/zinc/67/10/85/598671085.db2.gz VKIDIPLYXDAXDE-CQSZACIVSA-N 0 1 376.468 2.392 20 0 GEADMN CC(C)(C)OC(=O)NC1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735634277 598679941 /nfs/dbraw/zinc/67/99/41/598679941.db2.gz XRQPRGVFHWJZNV-UHFFFAOYSA-N 0 1 376.436 2.495 20 0 GEADMN CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736572640 598694419 /nfs/dbraw/zinc/69/44/19/598694419.db2.gz ZDSSRSWCSINDDA-CQSZACIVSA-N 0 1 383.456 2.163 20 0 GEADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736572640 598694421 /nfs/dbraw/zinc/69/44/21/598694421.db2.gz ZDSSRSWCSINDDA-CQSZACIVSA-N 0 1 383.456 2.163 20 0 GEADMN CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736572640 598694422 /nfs/dbraw/zinc/69/44/22/598694422.db2.gz ZDSSRSWCSINDDA-CQSZACIVSA-N 0 1 383.456 2.163 20 0 GEADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736572640 598694424 /nfs/dbraw/zinc/69/44/24/598694424.db2.gz ZDSSRSWCSINDDA-CQSZACIVSA-N 0 1 383.456 2.163 20 0 GEADMN C[C@H]1CCCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)C1 ZINC000736268353 598720673 /nfs/dbraw/zinc/72/06/73/598720673.db2.gz WKYHAIOTVRPSSX-NSHDSACASA-N 0 1 386.843 2.094 20 0 GEADMN COc1ccccc1C(C)(C)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737136890 598764493 /nfs/dbraw/zinc/76/44/93/598764493.db2.gz AFQLVMQJSGKJAR-UHFFFAOYSA-N 0 1 380.452 2.016 20 0 GEADMN CC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)CCCC1 ZINC000736202750 598808464 /nfs/dbraw/zinc/80/84/64/598808464.db2.gz JMATYSAPANYOHY-UHFFFAOYSA-N 0 1 397.439 2.344 20 0 GEADMN CCc1nnc(-c2ccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)o1 ZINC000821517662 599305925 /nfs/dbraw/zinc/30/59/25/599305925.db2.gz MKLGJCRZEVVGSU-UHFFFAOYSA-N 0 1 397.420 2.280 20 0 GEADMN O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823557780 599307049 /nfs/dbraw/zinc/30/70/49/599307049.db2.gz QDSBXVDCJRHLNA-SNVBAGLBSA-N 0 1 391.375 2.196 20 0 GEADMN CCC[C@@]1(C)CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026776 599307778 /nfs/dbraw/zinc/30/77/78/599307778.db2.gz BTSJMKWDWVJZIL-JXFKEZNVSA-N 0 1 382.468 2.401 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2nc(CCc3ccccc3)no2)c2ccccc21 ZINC000823657654 599343541 /nfs/dbraw/zinc/34/35/41/599343541.db2.gz TXBRDKVYMSRERO-UHFFFAOYSA-N 0 1 399.414 2.398 20 0 GEADMN COc1ccc(CNCC(=O)Nc2ccc(F)c(F)c2F)cc1-c1nn[nH]n1 ZINC000821809555 599393883 /nfs/dbraw/zinc/39/38/83/599393883.db2.gz OZKBEUQVKVUANF-UHFFFAOYSA-N 0 1 392.341 2.021 20 0 GEADMN C[C@H](NC(=O)NCCN1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820365434 599403803 /nfs/dbraw/zinc/40/38/03/599403803.db2.gz JHINZSNTXURLOJ-HNNXBMFYSA-N 0 1 391.479 2.285 20 0 GEADMN COc1ccc(CN[C@H](CN2CCCC2=O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805321 599406673 /nfs/dbraw/zinc/40/66/73/599406673.db2.gz TYOSTAFMNQMDIV-GOSISDBHSA-N 0 1 392.463 2.329 20 0 GEADMN O[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)COc1cccc(Cl)c1Cl ZINC000823689094 599415529 /nfs/dbraw/zinc/41/55/29/599415529.db2.gz AGROHYYXBQZQLZ-SECBINFHSA-N 0 1 384.223 2.296 20 0 GEADMN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822225138 607378017 /nfs/dbraw/zinc/37/80/17/607378017.db2.gz PYOIIODLXLKLOM-UHFFFAOYSA-N 0 1 395.448 2.470 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1-c1nn[nH]n1 ZINC000821979790 599446174 /nfs/dbraw/zinc/44/61/74/599446174.db2.gz XIWKSUUACPDSJD-UHFFFAOYSA-N 0 1 388.457 2.253 20 0 GEADMN Cc1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3-c3nn[nH]n3)[nH]c2c1 ZINC000822271133 599655585 /nfs/dbraw/zinc/65/55/85/599655585.db2.gz NOLOWEGQDZGNJW-GFCCVEGCSA-N 0 1 377.408 2.135 20 0 GEADMN CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820971788 599690952 /nfs/dbraw/zinc/69/09/52/599690952.db2.gz GBRCQXCADOPSHA-KGLIPLIRSA-N 0 1 380.456 2.111 20 0 GEADMN CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820971788 599690953 /nfs/dbraw/zinc/69/09/53/599690953.db2.gz GBRCQXCADOPSHA-KGLIPLIRSA-N 0 1 380.456 2.111 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000822220070 599698521 /nfs/dbraw/zinc/69/85/21/599698521.db2.gz CGFIWXTXSFWHBR-UHFFFAOYSA-N 0 1 391.479 2.175 20 0 GEADMN Cc1nnc(SCCC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)[nH]1 ZINC000822515865 599698897 /nfs/dbraw/zinc/69/88/97/599698897.db2.gz QXKPSLXDMMFMKO-UHFFFAOYSA-N 0 1 386.485 2.213 20 0 GEADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000263121896 599707912 /nfs/dbraw/zinc/70/79/12/599707912.db2.gz DNLKXUFSWAHOGD-QAPCUYQASA-N 0 1 393.915 2.390 20 0 GEADMN CC(C)[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000736354321 599715219 /nfs/dbraw/zinc/71/52/19/599715219.db2.gz WERUKRXDOOOMNV-INIZCTEOSA-N 0 1 381.452 2.309 20 0 GEADMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736794579 599722473 /nfs/dbraw/zinc/72/24/73/599722473.db2.gz QRYPBJQIPRVAFV-CYBMUJFWSA-N 0 1 394.447 2.482 20 0 GEADMN C[NH+]1CCN([C@H](C(=O)N2CCc3cc(C(=O)[O-])ccc32)c2ccccc2)CC1 ZINC000737516326 599751990 /nfs/dbraw/zinc/75/19/90/599751990.db2.gz VRYUACCWBRXRBH-FQEVSTJZSA-N 0 1 379.460 2.263 20 0 GEADMN CC(C)[N@H+]1CCCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000736474982 599773015 /nfs/dbraw/zinc/77/30/15/599773015.db2.gz QSFOMXXSHLQQAR-IBGZPJMESA-N 0 1 386.496 2.138 20 0 GEADMN CC[N@@H+]1CCc2nc(NC(=O)Cc3[nH]c(C(C)=O)c(C)c3C(=O)[O-])sc2C1 ZINC000737122961 599789825 /nfs/dbraw/zinc/78/98/25/599789825.db2.gz OAVCJJRAWCKCKV-UHFFFAOYSA-N 0 1 390.465 2.240 20 0 GEADMN CC[N@H+]1CCc2nc(NC(=O)Cc3[nH]c(C(C)=O)c(C)c3C(=O)[O-])sc2C1 ZINC000737122961 599789826 /nfs/dbraw/zinc/78/98/26/599789826.db2.gz OAVCJJRAWCKCKV-UHFFFAOYSA-N 0 1 390.465 2.240 20 0 GEADMN COc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)c1 ZINC000738142606 599794554 /nfs/dbraw/zinc/79/45/54/599794554.db2.gz CIKIHZIBSWSUGH-OAHLLOKOSA-N 0 1 398.463 2.246 20 0 GEADMN COc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1C(=O)[O-] ZINC000737996719 599807608 /nfs/dbraw/zinc/80/76/08/599807608.db2.gz HGUWZBVTRCIYBY-FQEVSTJZSA-N 0 1 398.459 2.208 20 0 GEADMN COc1ccccc1C[NH+]1CCN(Cn2nc(C(=O)[O-])c(Cl)c2C)CC1 ZINC000738135477 599808018 /nfs/dbraw/zinc/80/80/18/599808018.db2.gz ZKWDFTFUVSFQEO-UHFFFAOYSA-N 0 1 378.860 2.327 20 0 GEADMN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736931650 599839762 /nfs/dbraw/zinc/83/97/62/599839762.db2.gz HOVFCDXFFCPVGS-QRWLVFNGSA-N 0 1 389.452 2.139 20 0 GEADMN CCN1CC[NH+](CCC(=O)NCc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737114581 599881379 /nfs/dbraw/zinc/88/13/79/599881379.db2.gz CAESDHJMPCJGIZ-UHFFFAOYSA-N 0 1 375.494 2.243 20 0 GEADMN O=C([O-])CSCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000739861315 599898753 /nfs/dbraw/zinc/89/87/53/599898753.db2.gz SPZXSXPNTIKCBW-UHFFFAOYSA-N 0 1 387.452 2.046 20 0 GEADMN CCOc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1OCC(=O)[O-] ZINC000737185977 599930408 /nfs/dbraw/zinc/93/04/08/599930408.db2.gz SDDNLPNTBDRFON-GJZGRUSLSA-N 0 1 378.469 2.399 20 0 GEADMN C[C@H](C[N@H+](CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O)C1CC1)C(=O)[O-] ZINC000736578224 599932960 /nfs/dbraw/zinc/93/29/60/599932960.db2.gz KAMDYSOYFSBYTJ-ZMZPIMSZSA-N 0 1 379.844 2.250 20 0 GEADMN C[C@H](C[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O)C1CC1)C(=O)[O-] ZINC000736578224 599932961 /nfs/dbraw/zinc/93/29/61/599932961.db2.gz KAMDYSOYFSBYTJ-ZMZPIMSZSA-N 0 1 379.844 2.250 20 0 GEADMN C[C@@H](C[N@H+](CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)C1CC1)C(=O)[O-] ZINC000736578218 599934217 /nfs/dbraw/zinc/93/42/17/599934217.db2.gz JWTUMNMVTLNIJR-ZSEKCTLFSA-N 0 1 385.464 2.085 20 0 GEADMN C[C@@H](C[N@@H+](CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)C1CC1)C(=O)[O-] ZINC000736578218 599934219 /nfs/dbraw/zinc/93/42/19/599934219.db2.gz JWTUMNMVTLNIJR-ZSEKCTLFSA-N 0 1 385.464 2.085 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000738518782 599957510 /nfs/dbraw/zinc/95/75/10/599957510.db2.gz OEVYEBKJSZSATH-AWEZNQCLSA-N 0 1 383.452 2.387 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000738527274 599957539 /nfs/dbraw/zinc/95/75/39/599957539.db2.gz ZJYWQTBIXITIKP-INIZCTEOSA-N 0 1 383.452 2.023 20 0 GEADMN Cc1csc(N2CC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C[C@H]2C)n1 ZINC000738816192 599959084 /nfs/dbraw/zinc/95/90/84/599959084.db2.gz OLDXNJGWILZGDC-GDBMZVCRSA-N 0 1 391.493 2.100 20 0 GEADMN Cc1csc(N2CC[N@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C[C@H]2C)n1 ZINC000738816192 599959085 /nfs/dbraw/zinc/95/90/85/599959085.db2.gz OLDXNJGWILZGDC-GDBMZVCRSA-N 0 1 391.493 2.100 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000738520872 599963261 /nfs/dbraw/zinc/96/32/61/599963261.db2.gz WVESTPLEGVIYEO-CVEARBPZSA-N 0 1 391.512 2.045 20 0 GEADMN Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C(=O)[O-])cc2)n1 ZINC000738371798 599969130 /nfs/dbraw/zinc/96/91/30/599969130.db2.gz ZTAYVEFTKJRVKJ-OALUTQOASA-N 0 1 387.480 2.493 20 0 GEADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(C(=O)[O-])c1C ZINC000738399706 599969326 /nfs/dbraw/zinc/96/93/26/599969326.db2.gz WNBJADVFUFWGEV-CYBMUJFWSA-N 0 1 377.470 2.005 20 0 GEADMN Cc1nc(C[C@H]2CCC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)no1 ZINC000738852541 599979518 /nfs/dbraw/zinc/97/95/18/599979518.db2.gz YKDWQVUBUMGMNI-OAHLLOKOSA-N 0 1 387.440 2.039 20 0 GEADMN Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)no1 ZINC000738852541 599979520 /nfs/dbraw/zinc/97/95/20/599979520.db2.gz YKDWQVUBUMGMNI-OAHLLOKOSA-N 0 1 387.440 2.039 20 0 GEADMN Cc1c(C(=O)N2CCCC[C@H]2CC(=O)[O-])nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000738261012 599997068 /nfs/dbraw/zinc/99/70/68/599997068.db2.gz OTRWCOWYFASACH-INIZCTEOSA-N 0 1 397.479 2.033 20 0 GEADMN COc1ccc(C[N@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1C ZINC000737996548 600003817 /nfs/dbraw/zinc/00/38/17/600003817.db2.gz ZFBBENMJHCKNOP-IBGZPJMESA-N 0 1 382.460 2.474 20 0 GEADMN COc1ccc(C[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1C ZINC000737996548 600003821 /nfs/dbraw/zinc/00/38/21/600003821.db2.gz ZFBBENMJHCKNOP-IBGZPJMESA-N 0 1 382.460 2.474 20 0 GEADMN Cc1nn(-c2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)c(C)c1CCC(=O)[O-] ZINC000738896653 600012726 /nfs/dbraw/zinc/01/27/26/600012726.db2.gz STWUOQMEZDZAJU-IBGZPJMESA-N 0 1 396.491 2.427 20 0 GEADMN C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000262632263 600034001 /nfs/dbraw/zinc/03/40/01/600034001.db2.gz HGPMSAWFCYBCIY-JTQLQIEISA-N 0 1 399.369 2.176 20 0 GEADMN COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000738050259 600049534 /nfs/dbraw/zinc/04/95/34/600049534.db2.gz WOYKTPCSYUANTA-AUUYWEPGSA-N 0 1 398.459 2.393 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000738468827 600050331 /nfs/dbraw/zinc/05/03/31/600050331.db2.gz VOURNLQSFNPXMO-UHFFFAOYSA-N 0 1 379.420 2.246 20 0 GEADMN O=C([O-])c1ccc(CCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000739255841 600063195 /nfs/dbraw/zinc/06/31/95/600063195.db2.gz DXQYLZGBFIOFAJ-UHFFFAOYSA-N 0 1 381.476 2.256 20 0 GEADMN C[C@H](C[N@H+](CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O)C1CC1)C(=O)[O-] ZINC000736578590 600077892 /nfs/dbraw/zinc/07/78/92/600077892.db2.gz NINFASPIRAUJIO-MGNBDDOMSA-N 0 1 397.834 2.389 20 0 GEADMN C[C@H](C[N@@H+](CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O)C1CC1)C(=O)[O-] ZINC000736578590 600077895 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COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739901251 602537418 /nfs/dbraw/zinc/53/74/18/602537418.db2.gz CUHUUJIOLOZBPC-INIZCTEOSA-N 0 1 375.469 2.118 20 0 GEADMN CN(C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC000739658861 602541907 /nfs/dbraw/zinc/54/19/07/602541907.db2.gz BQUYBJWJSZGOLI-JSGCOSHPSA-N 0 1 376.375 2.377 20 0 GEADMN CCC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(F)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352001 602544997 /nfs/dbraw/zinc/54/49/97/602544997.db2.gz SUFKSZLCFWVWDJ-OAHLLOKOSA-N 0 1 381.448 2.257 20 0 GEADMN CCC[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739355250 602545629 /nfs/dbraw/zinc/54/56/29/602545629.db2.gz WWQBZVVHRYOZAR-KRWDZBQOSA-N 0 1 388.468 2.216 20 0 GEADMN CCC[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739355250 602545632 /nfs/dbraw/zinc/54/56/32/602545632.db2.gz WWQBZVVHRYOZAR-KRWDZBQOSA-N 0 1 388.468 2.216 20 0 GEADMN CN(C(=O)C1(Nc2ccccc2)CCN(C(=O)[O-])CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000739573201 602546839 /nfs/dbraw/zinc/54/68/39/602546839.db2.gz XSTDVNDKGNJUNR-GOSISDBHSA-N 0 1 386.496 2.306 20 0 GEADMN CCCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352451 602612534 /nfs/dbraw/zinc/61/25/34/602612534.db2.gz OWIGNTYNIZXBRF-JYJNAYRXSA-N 0 1 384.521 2.048 20 0 GEADMN C[C@@H](NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739175552 602629686 /nfs/dbraw/zinc/62/96/86/602629686.db2.gz BZAUQWDZUYMFDF-WKULXVSPSA-N 0 1 396.532 2.048 20 0 GEADMN C[C@@H](NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739175552 602629690 /nfs/dbraw/zinc/62/96/90/602629690.db2.gz BZAUQWDZUYMFDF-WKULXVSPSA-N 0 1 396.532 2.048 20 0 GEADMN CC(C)N(CCCNC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000739179258 602632082 /nfs/dbraw/zinc/63/20/82/602632082.db2.gz LVXYMKIFZYKJGU-ZACQAIPSSA-N 0 1 384.521 2.048 20 0 GEADMN CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])c2C1 ZINC000738766018 602644037 /nfs/dbraw/zinc/64/40/37/602644037.db2.gz KLTPDQXVLGFXKX-KBPBESRZSA-N 0 1 390.484 2.100 20 0 GEADMN O=C([O-])NC[C@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000740645342 602666806 /nfs/dbraw/zinc/66/68/06/602666806.db2.gz FCBMXMIVSZOLER-LLVKDONJSA-N 0 1 380.242 2.311 20 0 GEADMN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739725439 602692038 /nfs/dbraw/zinc/69/20/38/602692038.db2.gz FBJYMOABIOBAHC-IRXDYDNUSA-N 0 1 376.457 2.424 20 0 GEADMN C[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)[N@@H+]1CCc2sccc2C1 ZINC000738938366 602697808 /nfs/dbraw/zinc/69/78/08/602697808.db2.gz DKTPTPDYIIGQRV-SNVBAGLBSA-N 0 1 380.495 2.149 20 0 GEADMN C[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)[N@H+]1CCc2sccc2C1 ZINC000738938366 602697810 /nfs/dbraw/zinc/69/78/10/602697810.db2.gz DKTPTPDYIIGQRV-SNVBAGLBSA-N 0 1 380.495 2.149 20 0 GEADMN C[N@@H+](C[C@@H]1CCCN(C(=O)[O-])C1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000739638461 602706308 /nfs/dbraw/zinc/70/63/08/602706308.db2.gz QEIFDNALAYMDOI-GOEBONIOSA-N 0 1 377.489 2.233 20 0 GEADMN C[NH+]1CCN([C@H](C(=O)Oc2cccc(CNC(=O)[O-])c2)c2ccccc2)CC1 ZINC000739736320 602729102 /nfs/dbraw/zinc/72/91/02/602729102.db2.gz ZUBLDGBNKKYAQR-IBGZPJMESA-N 0 1 383.448 2.348 20 0 GEADMN CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000739405673 602778499 /nfs/dbraw/zinc/77/84/99/602778499.db2.gz DUTMBIXNONWTQN-YOEHRIQHSA-N 0 1 390.484 2.085 20 0 GEADMN CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000739405673 602778502 /nfs/dbraw/zinc/77/85/02/602778502.db2.gz DUTMBIXNONWTQN-YOEHRIQHSA-N 0 1 390.484 2.085 20 0 GEADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1=O ZINC000739453505 602784918 /nfs/dbraw/zinc/78/49/18/602784918.db2.gz FQWQEZLNVJJPQP-GXTWGEPZSA-N 0 1 392.431 2.187 20 0 GEADMN C[C@@H](CNC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000739141057 602817060 /nfs/dbraw/zinc/81/70/60/602817060.db2.gz XEEVHYWKGRPBCN-IPYPFGDCSA-N 0 1 380.514 2.182 20 0 GEADMN C[C@@H](CNC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000739141057 602817064 /nfs/dbraw/zinc/81/70/64/602817064.db2.gz XEEVHYWKGRPBCN-IPYPFGDCSA-N 0 1 380.514 2.182 20 0 GEADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CSCN3C(=O)[O-])c2)C[C@@H](C)O1 ZINC000739192451 602840960 /nfs/dbraw/zinc/84/09/60/602840960.db2.gz QYXRSAXGVXJANK-IOASZLSFSA-N 0 1 379.482 2.287 20 0 GEADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000740183024 602844036 /nfs/dbraw/zinc/84/40/36/602844036.db2.gz HXNAJPSCVUKFEM-IBGZPJMESA-N 0 1 389.496 2.188 20 0 GEADMN C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CCN1CCN(C(=O)[O-])CC1 ZINC000739663512 602872126 /nfs/dbraw/zinc/87/21/26/602872126.db2.gz HPOCISFWEOAZQD-UHFFFAOYSA-N 0 1 386.855 2.035 20 0 GEADMN Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CCN2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000740067677 602874363 /nfs/dbraw/zinc/87/43/63/602874363.db2.gz ZLCQRPSYCGCJAD-KRWDZBQOSA-N 0 1 376.501 2.166 20 0 GEADMN Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCN2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000740067677 602874364 /nfs/dbraw/zinc/87/43/64/602874364.db2.gz ZLCQRPSYCGCJAD-KRWDZBQOSA-N 0 1 376.501 2.166 20 0 GEADMN COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000739965355 602888970 /nfs/dbraw/zinc/88/89/70/602888970.db2.gz FMJSJRLYHGNEKN-IBGZPJMESA-N 0 1 383.448 2.178 20 0 GEADMN C[C@@H]1c2c(F)cccc2CCN1C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000739206200 602906353 /nfs/dbraw/zinc/90/63/53/602906353.db2.gz JFJRPFSNNWKLCV-CQSZACIVSA-N 0 1 378.448 2.140 20 0 GEADMN CC[C@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000739268780 602906474 /nfs/dbraw/zinc/90/64/74/602906474.db2.gz RPTMNMPQJDRCSO-INIZCTEOSA-N 0 1 384.427 2.401 20 0 GEADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN(C(=O)[O-])[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000739189166 602921834 /nfs/dbraw/zinc/92/18/34/602921834.db2.gz ZEMTWSBGWQABRK-HRCADAONSA-N 0 1 375.469 2.120 20 0 GEADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN(C(=O)[O-])[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000739189166 602921835 /nfs/dbraw/zinc/92/18/35/602921835.db2.gz ZEMTWSBGWQABRK-HRCADAONSA-N 0 1 375.469 2.120 20 0 GEADMN C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654554 602925036 /nfs/dbraw/zinc/92/50/36/602925036.db2.gz KNBZCBDSOISQEF-QFBILLFUSA-N 0 1 390.528 2.116 20 0 GEADMN C[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654554 602925038 /nfs/dbraw/zinc/92/50/38/602925038.db2.gz KNBZCBDSOISQEF-QFBILLFUSA-N 0 1 390.528 2.116 20 0 GEADMN CC[C@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)c1cc(F)ccc1F ZINC000739264523 602933835 /nfs/dbraw/zinc/93/38/35/602933835.db2.gz ICVUUQQELVIRLT-INIZCTEOSA-N 0 1 384.427 2.401 20 0 GEADMN O=C([O-])N1CC[NH+](CCCNc2nc(-c3ccccn3)nc3c2CCC3)CC1 ZINC000740527375 602966368 /nfs/dbraw/zinc/96/63/68/602966368.db2.gz RHQMVYSZHCTAEK-UHFFFAOYSA-N 0 1 382.468 2.125 20 0 GEADMN O=C([O-])N1CC[NH+](CCCNC(=O)N(CCc2ccc(F)cc2)C2CC2)CC1 ZINC000740527462 602973020 /nfs/dbraw/zinc/97/30/20/602973020.db2.gz VRMKVHXPTUVGII-UHFFFAOYSA-N 0 1 392.475 2.228 20 0 GEADMN CC(C)N(CCC(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000739129101 602987162 /nfs/dbraw/zinc/98/71/62/602987162.db2.gz LHMIPSIYDPOLLL-SJLPKXTDSA-N 0 1 377.485 2.031 20 0 GEADMN CC(C)N(CCC(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000739129101 602987164 /nfs/dbraw/zinc/98/71/64/602987164.db2.gz LHMIPSIYDPOLLL-SJLPKXTDSA-N 0 1 377.485 2.031 20 0 GEADMN O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000740579168 603026870 /nfs/dbraw/zinc/02/68/70/603026870.db2.gz VWMOLTTYWPSCDM-RHSMWYFYSA-N 0 1 381.423 2.482 20 0 GEADMN CCCC[N@@H+](CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)C1CCCCC1 ZINC000739333981 603048923 /nfs/dbraw/zinc/04/89/23/603048923.db2.gz OIQVJCBJYCKGKG-UHFFFAOYSA-N 0 1 380.489 2.443 20 0 GEADMN CC(C)N(CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000738961935 603063190 /nfs/dbraw/zinc/06/31/90/603063190.db2.gz TWPUADPNKGAGCT-WMZOPIPTSA-N 0 1 377.485 2.171 20 0 GEADMN CC(C)N(CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000738961935 603063195 /nfs/dbraw/zinc/06/31/95/603063195.db2.gz TWPUADPNKGAGCT-WMZOPIPTSA-N 0 1 377.485 2.171 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H]3CN(C)C(=O)[O-])CC2)cs1 ZINC000830746439 603144764 /nfs/dbraw/zinc/14/47/64/603144764.db2.gz JWBYOFOQEXCTAB-MRXNPFEDSA-N 0 1 380.514 2.264 20 0 GEADMN CS(=O)(=O)c1cccc([C@@H]([NH2+]CCNC(=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000829695394 603177932 /nfs/dbraw/zinc/17/79/32/603177932.db2.gz GPVHKPGSTNHCGZ-MRXNPFEDSA-N 0 1 384.404 2.315 20 0 GEADMN O=C([O-])NCCNC(=O)[C@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000740660289 603232786 /nfs/dbraw/zinc/23/27/86/603232786.db2.gz PJLXLMCTDMFGSY-LBPRGKRZSA-N 0 1 376.844 2.488 20 0 GEADMN Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)oc1C ZINC000740222872 603265940 /nfs/dbraw/zinc/26/59/40/603265940.db2.gz 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391.497 2.342 20 0 GEADMN CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(NC(=O)[O-])cc3Cl)C2)CC1 ZINC000739727789 603311323 /nfs/dbraw/zinc/31/13/23/603311323.db2.gz KKZRWQWYVMMKFR-CYBMUJFWSA-N 0 1 380.876 2.328 20 0 GEADMN CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(NC(=O)[O-])cc3Cl)C2)CC1 ZINC000739727789 603311327 /nfs/dbraw/zinc/31/13/27/603311327.db2.gz KKZRWQWYVMMKFR-CYBMUJFWSA-N 0 1 380.876 2.328 20 0 GEADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000739461691 603312999 /nfs/dbraw/zinc/31/29/99/603312999.db2.gz VDMMAKYLAUBAPS-CYBMUJFWSA-N 0 1 382.892 2.433 20 0 GEADMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(NC(=O)[O-])cc3Cl)CC2)C1 ZINC000739727060 603316135 /nfs/dbraw/zinc/31/61/35/603316135.db2.gz CQWDYZBRULEEHI-CQSZACIVSA-N 0 1 380.876 2.282 20 0 GEADMN CCN(Cc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)c1)C(=O)[O-] ZINC000739441148 603345708 /nfs/dbraw/zinc/34/57/08/603345708.db2.gz DFNXLYCFOCHFRH-HNNXBMFYSA-N 0 1 378.473 2.371 20 0 GEADMN 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AKHXAGIOLIWJFU-BBRMVZONSA-N 0 1 386.456 2.153 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)[O-])cn1 ZINC000833916737 605966182 /nfs/dbraw/zinc/96/61/82/605966182.db2.gz AKHXAGIOLIWJFU-CZUORRHYSA-N 0 1 386.456 2.153 20 0 GEADMN O=C([O-])N1CCC(CCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000833991681 606010740 /nfs/dbraw/zinc/01/07/40/606010740.db2.gz PDLOASFJMTWDIM-UHFFFAOYSA-N 0 1 388.512 2.095 20 0 GEADMN O=C([O-])N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000834133628 606029609 /nfs/dbraw/zinc/02/96/09/606029609.db2.gz QVMMWQBPAXJCLJ-AAEUAGOBSA-N 0 1 375.441 2.368 20 0 GEADMN CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821088055 606088623 /nfs/dbraw/zinc/08/86/23/606088623.db2.gz IZNHEYRDHNKMLG-UKRRQHHQSA-N 0 1 389.504 2.067 20 0 GEADMN CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821088055 606088628 /nfs/dbraw/zinc/08/86/28/606088628.db2.gz IZNHEYRDHNKMLG-UKRRQHHQSA-N 0 1 389.504 2.067 20 0 GEADMN CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821088053 606088917 /nfs/dbraw/zinc/08/89/17/606088917.db2.gz IZNHEYRDHNKMLG-HIFRSBDPSA-N 0 1 389.504 2.067 20 0 GEADMN CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821088053 606088922 /nfs/dbraw/zinc/08/89/22/606088922.db2.gz IZNHEYRDHNKMLG-HIFRSBDPSA-N 0 1 389.504 2.067 20 0 GEADMN COCCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)C1CCCC1 ZINC000821689315 606107475 /nfs/dbraw/zinc/10/74/75/606107475.db2.gz VWJLOWJEKARYET-UHFFFAOYSA-N 0 1 378.502 2.375 20 0 GEADMN O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822991428 606116247 /nfs/dbraw/zinc/11/62/47/606116247.db2.gz CIVVLOHCHQYTSO-GJZGRUSLSA-N 0 1 392.467 2.113 20 0 GEADMN O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822991429 606116339 /nfs/dbraw/zinc/11/63/39/606116339.db2.gz CIVVLOHCHQYTSO-HUUCEWRRSA-N 0 1 392.467 2.113 20 0 GEADMN C[C@@H](C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1)N(C)C ZINC000821989871 606127961 /nfs/dbraw/zinc/12/79/61/606127961.db2.gz MPRXESQSYODIAL-AWEZNQCLSA-N 0 1 382.443 2.485 20 0 GEADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678783 606189538 /nfs/dbraw/zinc/18/95/38/606189538.db2.gz YJMOIHIIHKGLMU-UNEWFSDZSA-N 0 1 375.498 2.293 20 0 GEADMN O=C(NCc1cnc[nH]1)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823229461 606278975 /nfs/dbraw/zinc/27/89/75/606278975.db2.gz SNHFPZWQBJWPIR-UHFFFAOYSA-N 0 1 375.392 2.099 20 0 GEADMN CN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821584901 606291540 /nfs/dbraw/zinc/29/15/40/606291540.db2.gz XHSYOAWKDRMSQW-UHFFFAOYSA-N 0 1 384.415 2.432 20 0 GEADMN CN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821584901 606291542 /nfs/dbraw/zinc/29/15/42/606291542.db2.gz XHSYOAWKDRMSQW-UHFFFAOYSA-N 0 1 384.415 2.432 20 0 GEADMN COC(=O)[C@H](NCc1nc2ccc(C)cc2[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000821644702 606309772 /nfs/dbraw/zinc/30/97/72/606309772.db2.gz GWPPFCJMZPWVDF-QGZVFWFLSA-N 0 1 377.408 2.055 20 0 GEADMN Cc1ccc2c(c1)CC[C@@H]2NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822275334 606310002 /nfs/dbraw/zinc/31/00/02/606310002.db2.gz QOHICBDZZZEOGS-SFHVURJKSA-N 0 1 383.477 2.226 20 0 GEADMN O=S(=O)(CCN[C@H]1CCc2c1cccc2F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823563090 606310482 /nfs/dbraw/zinc/31/04/82/606310482.db2.gz ZRIBPBXKNNZAQT-KRWDZBQOSA-N 0 1 387.440 2.057 20 0 GEADMN O=S(=O)(Oc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1)c1c[nH]cn1 ZINC000823594155 606333252 /nfs/dbraw/zinc/33/32/52/606333252.db2.gz CHTJTYQLDNDCEC-UHFFFAOYSA-N 0 1 384.377 2.150 20 0 GEADMN O=S(=O)(Nc1cc(-c2nn[nH]n2)ccc1O)c1cccc(C(F)(F)F)c1 ZINC000823583079 606338183 /nfs/dbraw/zinc/33/81/83/606338183.db2.gz HATFSGCXOBQOMQ-UHFFFAOYSA-N 0 1 385.327 2.392 20 0 GEADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccccc2)CC1 ZINC000820274602 606408556 /nfs/dbraw/zinc/40/85/56/606408556.db2.gz JCEVTKCQPLUFLA-OAHLLOKOSA-N 0 1 383.525 2.229 20 0 GEADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccccc2)CC1 ZINC000820274602 606408558 /nfs/dbraw/zinc/40/85/58/606408558.db2.gz JCEVTKCQPLUFLA-OAHLLOKOSA-N 0 1 383.525 2.229 20 0 GEADMN O[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)COc1ccc(C(F)(F)F)cc1 ZINC000823689312 606413494 /nfs/dbraw/zinc/41/34/94/606413494.db2.gz DMRSLYMDSFCFQM-LLVKDONJSA-N 0 1 399.398 2.477 20 0 GEADMN O[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)COc1ccc(C(F)(F)F)cc1 ZINC000823689312 606413497 /nfs/dbraw/zinc/41/34/97/606413497.db2.gz DMRSLYMDSFCFQM-LLVKDONJSA-N 0 1 399.398 2.477 20 0 GEADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000823766644 606414355 /nfs/dbraw/zinc/41/43/55/606414355.db2.gz GYMDFTSDYANDMG-UHFFFAOYSA-N 0 1 399.476 2.495 20 0 GEADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000823766644 606414356 /nfs/dbraw/zinc/41/43/56/606414356.db2.gz GYMDFTSDYANDMG-UHFFFAOYSA-N 0 1 399.476 2.495 20 0 GEADMN COc1ccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c(OC)c1OC ZINC000821790010 606417290 /nfs/dbraw/zinc/41/72/90/606417290.db2.gz DTVGTKIVNJZFJI-UHFFFAOYSA-N 0 1 375.454 2.286 20 0 GEADMN COc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c(OC)c1OC ZINC000821790010 606417293 /nfs/dbraw/zinc/41/72/93/606417293.db2.gz DTVGTKIVNJZFJI-UHFFFAOYSA-N 0 1 375.454 2.286 20 0 GEADMN C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000820261774 606421537 /nfs/dbraw/zinc/42/15/37/606421537.db2.gz QCEHBQAXLYHGQQ-HNNXBMFYSA-N 0 1 383.525 2.229 20 0 GEADMN C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820261774 606421539 /nfs/dbraw/zinc/42/15/39/606421539.db2.gz QCEHBQAXLYHGQQ-HNNXBMFYSA-N 0 1 383.525 2.229 20 0 GEADMN CCC[C@H]1C[C@@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821033675 606442055 /nfs/dbraw/zinc/44/20/55/606442055.db2.gz DITKCGNSLJZUEN-ROUUACIJSA-N 0 1 383.500 2.273 20 0 GEADMN CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000821697932 606454766 /nfs/dbraw/zinc/45/47/66/606454766.db2.gz XNSZFJHNMAQBSC-LBPRGKRZSA-N 0 1 390.513 2.246 20 0 GEADMN CO[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000821697932 606454767 /nfs/dbraw/zinc/45/47/67/606454767.db2.gz XNSZFJHNMAQBSC-LBPRGKRZSA-N 0 1 390.513 2.246 20 0 GEADMN CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000821697931 606454797 /nfs/dbraw/zinc/45/47/97/606454797.db2.gz XNSZFJHNMAQBSC-GFCCVEGCSA-N 0 1 390.513 2.246 20 0 GEADMN CO[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000821697931 606454798 /nfs/dbraw/zinc/45/47/98/606454798.db2.gz XNSZFJHNMAQBSC-GFCCVEGCSA-N 0 1 390.513 2.246 20 0 GEADMN O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823155674 606510399 /nfs/dbraw/zinc/51/03/99/606510399.db2.gz WKWXTPBIHCECAF-UHFFFAOYSA-N 0 1 382.493 2.365 20 0 GEADMN O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823155674 606510400 /nfs/dbraw/zinc/51/04/00/606510400.db2.gz WKWXTPBIHCECAF-UHFFFAOYSA-N 0 1 382.493 2.365 20 0 GEADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823155679 606537537 /nfs/dbraw/zinc/53/75/37/606537537.db2.gz WODOJGOFJROJHT-UHFFFAOYSA-N 0 1 386.456 2.462 20 0 GEADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000823098570 606538202 /nfs/dbraw/zinc/53/82/02/606538202.db2.gz QMTYKBXQFOHDJI-IBGZPJMESA-N 0 1 390.491 2.438 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)cc1-c1nn[nH]n1 ZINC000821970152 606585067 /nfs/dbraw/zinc/58/50/67/606585067.db2.gz JEMOHEFUNOFJBK-NWDGAFQWSA-N 0 1 392.510 2.189 20 0 GEADMN NC(=O)[C@@H](NC[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850514 606621964 /nfs/dbraw/zinc/62/19/64/606621964.db2.gz IUQMOJGEENZCMM-IRXDYDNUSA-N 0 1 380.477 2.013 20 0 GEADMN CN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000821598322 606623693 /nfs/dbraw/zinc/62/36/93/606623693.db2.gz YLBGLMNOBXRDMZ-MUUNZHRXSA-N 0 1 398.492 2.065 20 0 GEADMN C[C@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1(N2CCOCC2)CCCC1 ZINC000820372733 606645584 /nfs/dbraw/zinc/64/55/84/606645584.db2.gz BLTKHQKQCXWNSM-AWEZNQCLSA-N 0 1 385.472 2.022 20 0 GEADMN O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000822982842 606774336 /nfs/dbraw/zinc/77/43/36/606774336.db2.gz JCHMASGBFWJUNE-OAHLLOKOSA-N 0 1 382.493 2.252 20 0 GEADMN O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000822982842 606774337 /nfs/dbraw/zinc/77/43/37/606774337.db2.gz JCHMASGBFWJUNE-OAHLLOKOSA-N 0 1 382.493 2.252 20 0 GEADMN CCC1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCCC1 ZINC000820945440 606785192 /nfs/dbraw/zinc/78/51/92/606785192.db2.gz TUBMEOPZYQTGSZ-UHFFFAOYSA-N 0 1 385.472 2.351 20 0 GEADMN Cc1cccc(C)c1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822294379 606792577 /nfs/dbraw/zinc/79/25/77/606792577.db2.gz YSSOFVMYHIWQCP-UHFFFAOYSA-N 0 1 393.451 2.311 20 0 GEADMN Cc1cc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)ccc1F ZINC000822211567 606820999 /nfs/dbraw/zinc/82/09/99/606820999.db2.gz FHOKMFVDMYFYMY-UHFFFAOYSA-N 0 1 376.417 2.181 20 0 GEADMN Cc1c(F)cccc1S(=O)(=O)Nc1cc(N(C)C)ccc1-c1nn[nH]n1 ZINC000822034669 606821037 /nfs/dbraw/zinc/82/10/37/606821037.db2.gz IZCPELOVZKPEIB-UHFFFAOYSA-N 0 1 376.417 2.181 20 0 GEADMN CCOc1ccccc1N1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821437158 606843117 /nfs/dbraw/zinc/84/31/17/606843117.db2.gz KITSPNHYNADNCP-IBGZPJMESA-N 0 1 394.479 2.121 20 0 GEADMN O=C(c1ccccc1)C1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823493371 606851315 /nfs/dbraw/zinc/85/13/15/606851315.db2.gz MNXCJSQBIITMCU-LJQANCHMSA-N 0 1 377.448 2.495 20 0 GEADMN CN(Cc1ccc(Br)o1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821609816 606854078 /nfs/dbraw/zinc/85/40/78/606854078.db2.gz NADAPFPOJCXEQL-CYBMUJFWSA-N 0 1 378.230 2.388 20 0 GEADMN O[C@@H](CN1CCc2c(cnn2-c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681765 606854663 /nfs/dbraw/zinc/85/46/63/606854663.db2.gz KJBQAURAPCVLQT-FQEVSTJZSA-N 0 1 387.447 2.144 20 0 GEADMN COC(=O)c1ccc(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)s1 ZINC000821669144 606879974 /nfs/dbraw/zinc/87/99/74/606879974.db2.gz ZNUWUCWDMXSEQT-UHFFFAOYSA-N 0 1 398.492 2.427 20 0 GEADMN COc1cccc(N2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821873558 606884037 /nfs/dbraw/zinc/88/40/37/606884037.db2.gz VMEREGGPFIPNCL-UHFFFAOYSA-N 0 1 394.479 2.466 20 0 GEADMN Oc1ccccc1N1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823731709 606885915 /nfs/dbraw/zinc/88/59/15/606885915.db2.gz DEXXZLXZJMISBJ-UHFFFAOYSA-N 0 1 380.452 2.163 20 0 GEADMN Cc1ccccc1C[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822356284 606886796 /nfs/dbraw/zinc/88/67/96/606886796.db2.gz QHCADFJGOHNCPD-NSHDSACASA-N 0 1 393.419 2.363 20 0 GEADMN O=S(=O)(N[C@H]1C[C@@H]1c1cccc(F)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573197 606889168 /nfs/dbraw/zinc/88/91/68/606889168.db2.gz RYJTXLMMVXOOLF-RISCZKNCSA-N 0 1 395.366 2.118 20 0 GEADMN CC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820914915 606890283 /nfs/dbraw/zinc/89/02/83/606890283.db2.gz RXMZFHMVQAFJTF-CYBMUJFWSA-N 0 1 393.419 2.445 20 0 GEADMN O=S(=O)(NC1(c2ccccc2F)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823567939 606893206 /nfs/dbraw/zinc/89/32/06/606893206.db2.gz ZIUGZOVPEKTNIW-UHFFFAOYSA-N 0 1 395.366 2.252 20 0 GEADMN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821653669 606907658 /nfs/dbraw/zinc/90/76/58/606907658.db2.gz HIYYGXLXRFURDB-CEXWTWQISA-N 0 1 399.495 2.344 20 0 GEADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821600691 606926516 /nfs/dbraw/zinc/92/65/16/606926516.db2.gz YYEGMPXWRLMLIT-IBGZPJMESA-N 0 1 392.463 2.373 20 0 GEADMN O=C(NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1ccsc1 ZINC000823154859 606967106 /nfs/dbraw/zinc/96/71/06/606967106.db2.gz LUIXBSGZROBDHE-UHFFFAOYSA-N 0 1 386.456 2.462 20 0 GEADMN COc1cc([C@H](C)NCc2cccc(-c3nn[nH]n3)c2)ccc1S(C)(=O)=O ZINC000821707915 606997208 /nfs/dbraw/zinc/99/72/08/606997208.db2.gz HORJYNMYBHSGNM-LBPRGKRZSA-N 0 1 387.465 2.130 20 0 GEADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000820001094 607019595 /nfs/dbraw/zinc/01/95/95/607019595.db2.gz DHEVQMWXKVECSI-UHFFFAOYSA-N 0 1 390.407 2.244 20 0 GEADMN O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCN(C2CCCCC2)CC1 ZINC000823460311 607090356 /nfs/dbraw/zinc/09/03/56/607090356.db2.gz MCGUWUZHGYAKFR-UHFFFAOYSA-N 0 1 376.411 2.235 20 0 GEADMN OC[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000823705878 607152093 /nfs/dbraw/zinc/15/20/93/607152093.db2.gz ILJZWYXHKUVXCM-GFCCVEGCSA-N 0 1 397.357 2.299 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1-c1nn[nH]n1 ZINC000821976417 607162560 /nfs/dbraw/zinc/16/25/60/607162560.db2.gz ARGQQHUIFHFPSL-GLQYFDAESA-N 0 1 394.460 2.005 20 0 GEADMN OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823713044 607175087 /nfs/dbraw/zinc/17/50/87/607175087.db2.gz CMDZAUCTXZVWIB-PBHICJAKSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823715896 607175183 /nfs/dbraw/zinc/17/51/83/607175183.db2.gz YSCGLGHGNOEVKZ-GOEBONIOSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823715896 607175184 /nfs/dbraw/zinc/17/51/84/607175184.db2.gz YSCGLGHGNOEVKZ-GOEBONIOSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823715896 607175185 /nfs/dbraw/zinc/17/51/85/607175185.db2.gz YSCGLGHGNOEVKZ-GOEBONIOSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823715896 607175186 /nfs/dbraw/zinc/17/51/86/607175186.db2.gz YSCGLGHGNOEVKZ-GOEBONIOSA-N 0 1 399.886 2.210 20 0 GEADMN CCCCc1oc2ccccc2c1CN(C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821082867 607205668 /nfs/dbraw/zinc/20/56/68/607205668.db2.gz QAHPODQCZRCXSW-UHFFFAOYSA-N 0 1 394.439 2.206 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000823135961 607209743 /nfs/dbraw/zinc/20/97/43/607209743.db2.gz CRLUMBQPFWLRMX-UHFFFAOYSA-N 0 1 380.343 2.028 20 0 GEADMN CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000821083227 607210274 /nfs/dbraw/zinc/21/02/74/607210274.db2.gz VYQAVQWRHZHZJV-LBPRGKRZSA-N 0 1 380.412 2.204 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000823136016 607213204 /nfs/dbraw/zinc/21/32/04/607213204.db2.gz GFRGOXLBJMXMLF-UHFFFAOYSA-N 0 1 397.402 2.312 20 0 GEADMN CC(C)Sc1ccc(Cl)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820184264 607214019 /nfs/dbraw/zinc/21/40/19/607214019.db2.gz YREOBBSXMVYUKV-UHFFFAOYSA-N 0 1 378.849 2.251 20 0 GEADMN c1nc(Nc2ncnc3nccnc32)sc1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826525650 607781082 /nfs/dbraw/zinc/78/10/82/607781082.db2.gz SXJHMOGFGIFQPR-UHFFFAOYSA-N 0 1 388.420 2.391 20 0 GEADMN O[C@H](CN1CCO[C@@]2(CCc3ccccc32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502542 607803621 /nfs/dbraw/zinc/80/36/21/607803621.db2.gz FVEMLCMICIZWEO-CTNGQTDRSA-N 0 1 377.448 2.074 20 0 GEADMN Cc1sc(NC(=O)CN2CC[C@@H](C3CCOCC3)C2)c(-c2nn[nH]n2)c1C ZINC000826349503 607859184 /nfs/dbraw/zinc/85/91/84/607859184.db2.gz JTTYELXKNUINTQ-CQSZACIVSA-N 0 1 390.513 2.232 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000826255637 607932593 /nfs/dbraw/zinc/93/25/93/607932593.db2.gz FCVZVWOKZUUPMG-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826175917 607942731 /nfs/dbraw/zinc/94/27/31/607942731.db2.gz VCSSXFCMCVNFFH-DLBZAZTESA-N 0 1 399.426 2.201 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3ccc(F)cc3c2C)c1-c1nnn[n-]1 ZINC000826083604 608019084 /nfs/dbraw/zinc/01/90/84/608019084.db2.gz OGQJMTIDMWBEOO-UHFFFAOYSA-N 0 1 398.402 2.188 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3ccc(F)cc3c2C)c1-c1nn[n-]n1 ZINC000826083604 608019085 /nfs/dbraw/zinc/01/90/85/608019085.db2.gz OGQJMTIDMWBEOO-UHFFFAOYSA-N 0 1 398.402 2.188 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826083782 608019996 /nfs/dbraw/zinc/01/99/96/608019996.db2.gz QOUXKKPCIJYZJT-UHFFFAOYSA-N 0 1 382.453 2.209 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826083782 608019997 /nfs/dbraw/zinc/01/99/97/608019997.db2.gz QOUXKKPCIJYZJT-UHFFFAOYSA-N 0 1 382.453 2.209 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826073094 608021088 /nfs/dbraw/zinc/02/10/88/608021088.db2.gz DPUYXKSXMDMPFT-SNVBAGLBSA-N 0 1 388.863 2.137 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826073094 608021089 /nfs/dbraw/zinc/02/10/89/608021089.db2.gz DPUYXKSXMDMPFT-SNVBAGLBSA-N 0 1 388.863 2.137 20 0 GEADMN CCCCc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825296889 608021854 /nfs/dbraw/zinc/02/18/54/608021854.db2.gz YVXOUKXUNVHVQE-UHFFFAOYSA-N 0 1 382.472 2.337 20 0 GEADMN CCCCc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825296889 608021855 /nfs/dbraw/zinc/02/18/55/608021855.db2.gz YVXOUKXUNVHVQE-UHFFFAOYSA-N 0 1 382.472 2.337 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3c(cccc3C)c2C)c1-c1nnn[n-]1 ZINC000826082842 608022115 /nfs/dbraw/zinc/02/21/15/608022115.db2.gz BPVWWMYBWOOGFJ-UHFFFAOYSA-N 0 1 394.439 2.357 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3c(cccc3C)c2C)c1-c1nn[n-]n1 ZINC000826082842 608022116 /nfs/dbraw/zinc/02/21/16/608022116.db2.gz BPVWWMYBWOOGFJ-UHFFFAOYSA-N 0 1 394.439 2.357 20 0 GEADMN CN(Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000825975875 608031885 /nfs/dbraw/zinc/03/18/85/608031885.db2.gz AJPQDKMBBZCYIC-IBGZPJMESA-N 0 1 376.464 2.490 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCc1ccc2ccccc2c1 ZINC000825935271 608035850 /nfs/dbraw/zinc/03/58/50/608035850.db2.gz YJAKZTHKPMMERH-UHFFFAOYSA-N 0 1 376.468 2.432 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCc1ccc2ccccc2c1 ZINC000825935271 608035851 /nfs/dbraw/zinc/03/58/51/608035851.db2.gz YJAKZTHKPMMERH-UHFFFAOYSA-N 0 1 376.468 2.432 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCc1ccc2ccccc2c1 ZINC000825935271 608035852 /nfs/dbraw/zinc/03/58/52/608035852.db2.gz YJAKZTHKPMMERH-UHFFFAOYSA-N 0 1 376.468 2.432 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCc1ccc2ccccc2c1 ZINC000825935271 608035853 /nfs/dbraw/zinc/03/58/53/608035853.db2.gz YJAKZTHKPMMERH-UHFFFAOYSA-N 0 1 376.468 2.432 20 0 GEADMN CC(C)CN1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000824261334 608047165 /nfs/dbraw/zinc/04/71/65/608047165.db2.gz IHAKFRAXOQJAJB-ZDUSSCGKSA-N 0 1 395.305 2.398 20 0 GEADMN C[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000824925485 608145514 /nfs/dbraw/zinc/14/55/14/608145514.db2.gz DDPFCGJCIUAPPT-OLZOCXBDSA-N 0 1 397.439 2.200 20 0 GEADMN O=C1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1c1c(F)cccc1F ZINC000826479323 608162326 /nfs/dbraw/zinc/16/23/26/608162326.db2.gz WOTNIAWUHDTEJS-SECBINFHSA-N 0 1 376.392 2.102 20 0 GEADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000824737539 608163845 /nfs/dbraw/zinc/16/38/45/608163845.db2.gz IBHIRGHDGIDWTR-NSHDSACASA-N 0 1 376.380 2.058 20 0 GEADMN CC(C)c1nsc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000824371752 608175171 /nfs/dbraw/zinc/17/51/71/608175171.db2.gz QUULJZFYAVDBKA-UHFFFAOYSA-N 0 1 387.473 2.034 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2c[nH]nc2-c2ccccc2)cc1-c1nn[nH]n1 ZINC000826229527 608195221 /nfs/dbraw/zinc/19/52/21/608195221.db2.gz IBEBVQHFXULNJR-UHFFFAOYSA-N 0 1 394.420 2.332 20 0 GEADMN CCc1cnccc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825733669 608215946 /nfs/dbraw/zinc/21/59/46/608215946.db2.gz IFEKNWLXKBRUIJ-UHFFFAOYSA-N 0 1 391.479 2.172 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826331973 608312994 /nfs/dbraw/zinc/31/29/94/608312994.db2.gz FVTNJGRUCXUGNM-GOSISDBHSA-N 0 1 392.511 2.421 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826332591 608313427 /nfs/dbraw/zinc/31/34/27/608313427.db2.gz YSFZQCVUCSVHSA-GOSISDBHSA-N 0 1 392.511 2.421 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826331851 608316855 /nfs/dbraw/zinc/31/68/55/608316855.db2.gz AIWUCDQZOZEBJH-HOTGVXAUSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826331851 608316857 /nfs/dbraw/zinc/31/68/57/608316857.db2.gz AIWUCDQZOZEBJH-HOTGVXAUSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826331851 608316859 /nfs/dbraw/zinc/31/68/59/608316859.db2.gz AIWUCDQZOZEBJH-HOTGVXAUSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826331851 608316861 /nfs/dbraw/zinc/31/68/61/608316861.db2.gz AIWUCDQZOZEBJH-HOTGVXAUSA-N 0 1 379.468 2.219 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000826168193 608356486 /nfs/dbraw/zinc/35/64/86/608356486.db2.gz FLFPMVFYUISAAH-UHFFFAOYSA-N 0 1 398.492 2.331 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000826184288 608429618 /nfs/dbraw/zinc/42/96/18/608429618.db2.gz RITBWQUEZUJHNY-LJQANCHMSA-N 0 1 394.479 2.038 20 0 GEADMN C[C@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000824571487 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CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000162098715 644232519 /nfs/dbraw/zinc/23/25/19/644232519.db2.gz XVHSDLIIMBCHFA-NSHDSACASA-N 0 1 377.869 2.200 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000162380829 644236012 /nfs/dbraw/zinc/23/60/12/644236012.db2.gz SSIUEUQBMPHEFS-ZYHUDNBSSA-N 0 1 393.285 2.346 20 0 GEADMN O=S(=O)([N-][C@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)c(Br)cc1F ZINC000162508107 644238104 /nfs/dbraw/zinc/23/81/04/644238104.db2.gz XSBGAGJQZCBYQD-JTQLQIEISA-N 0 1 395.269 2.490 20 0 GEADMN O=S(=O)(NC[C@@H](O)c1ccco1)c1cc(F)c(Br)cc1F ZINC000162648301 644240998 /nfs/dbraw/zinc/24/09/98/644240998.db2.gz UVRUMINIZIMAPJ-SNVBAGLBSA-N 0 1 382.182 2.332 20 0 GEADMN COC(=O)c1cc(Br)c(S(=O)(=O)NCc2ncoc2C)s1 ZINC000163245443 644253248 /nfs/dbraw/zinc/25/32/48/644253248.db2.gz MNSAKFXVASZQPK-UHFFFAOYSA-N 0 1 395.256 2.072 20 0 GEADMN COC(=O)c1cc(Br)c(S(=O)(=O)NCCc2ccco2)s1 ZINC000163502136 644256756 /nfs/dbraw/zinc/25/67/56/644256756.db2.gz 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C[C@H]1C[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccsc2S1 ZINC000181043130 644520266 /nfs/dbraw/zinc/52/02/66/644520266.db2.gz DVLTWXYRCHMANA-OFQRWUPVSA-N 0 1 381.567 2.196 20 0 GEADMN CS(=O)(=O)CCOCCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000181147823 644526390 /nfs/dbraw/zinc/52/63/90/644526390.db2.gz MOJIMBSATVAGIH-CYBMUJFWSA-N 0 1 380.279 2.226 20 0 GEADMN Cc1cc(NS(=O)(=O)c2cc(Cl)cnc2N)ccc1N1CCOCC1 ZINC000181182352 644527876 /nfs/dbraw/zinc/52/78/76/644527876.db2.gz OVHYHNQEPFHORK-UHFFFAOYSA-N 0 1 382.873 2.263 20 0 GEADMN O=C(NCC[C@@H]1CCOC1)c1n[nH]c2ccc(I)cc21 ZINC000544296745 650939178 /nfs/dbraw/zinc/93/91/78/650939178.db2.gz PGYILSNYMBOIGG-SECBINFHSA-N 0 1 385.205 2.324 20 0 GEADMN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000544378234 650940644 /nfs/dbraw/zinc/94/06/44/650940644.db2.gz FVFYSEABHXEUQH-HZMBPMFUSA-N 0 1 392.253 2.065 20 0 GEADMN O=C(NCc1ccc2c(c1)C(=O)NCC2)c1cccc(Br)c1O ZINC000544586153 650944431 /nfs/dbraw/zinc/94/44/31/650944431.db2.gz 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644990138 /nfs/dbraw/zinc/99/01/38/644990138.db2.gz GJJLRNPOEVKSAZ-UHFFFAOYSA-N 0 1 397.254 2.337 20 0 GEADMN CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1 ZINC000183270724 644990350 /nfs/dbraw/zinc/99/03/50/644990350.db2.gz XIUIZXDNLLFBFU-UHFFFAOYSA-N 0 1 397.254 2.337 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)c2cc3c(cc2Br)NC(=O)CO3)n[nH]1 ZINC000184022555 645007324 /nfs/dbraw/zinc/00/73/24/645007324.db2.gz LWYYODZWJCQARI-QMMMGPOBSA-N 0 1 393.241 2.173 20 0 GEADMN Cc1ccc(NC(=O)C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(C)n1 ZINC000184203260 645012765 /nfs/dbraw/zinc/01/27/65/645012765.db2.gz LFAYVJZNSDLFHL-UHFFFAOYSA-N 0 1 381.219 2.405 20 0 GEADMN CC(C)CN1CCO[C@H](CNC(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000185078970 645033955 /nfs/dbraw/zinc/03/39/55/645033955.db2.gz QACQBZGDWYLCED-HUUCEWRRSA-N 0 1 384.571 2.299 20 0 GEADMN Cn1cc(Br)c(=O)c(NS(=O)(=O)Cc2ccccc2F)c1 ZINC000186650829 645070793 /nfs/dbraw/zinc/07/07/93/645070793.db2.gz DYROUDHAGWMQQJ-UHFFFAOYSA-N 0 1 375.219 2.229 20 0 GEADMN O=C(NCCc1cc(Br)ccc1F)NCCN1CCCOCC1 ZINC000187043970 645080614 /nfs/dbraw/zinc/08/06/14/645080614.db2.gz VUXAYVFUJRFSNT-UHFFFAOYSA-N 0 1 388.281 2.152 20 0 GEADMN Cc1ccc(-c2cc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)n[nH]2)cc1C ZINC000187253436 645086501 /nfs/dbraw/zinc/08/65/01/645086501.db2.gz DKLRRJWGYFPSCZ-INIZCTEOSA-N 0 1 379.507 2.253 20 0 GEADMN Cc1ccc(Br)cc1CNC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000187623748 645095245 /nfs/dbraw/zinc/09/52/45/645095245.db2.gz AKUYUBKCQNEDTB-AWEZNQCLSA-N 0 1 383.334 2.193 20 0 GEADMN CN(Cc1nnc[nH]1)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000187650897 645097217 /nfs/dbraw/zinc/09/72/17/645097217.db2.gz MPADCQZDFMMRKN-UHFFFAOYSA-N 0 1 376.218 2.417 20 0 GEADMN Cn1nccc1S(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000545910360 650984677 /nfs/dbraw/zinc/98/46/77/650984677.db2.gz QNOUHPOEGZCTRH-UHFFFAOYSA-N 0 1 382.917 2.360 20 0 GEADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1sccc1Br ZINC000188103785 645107729 /nfs/dbraw/zinc/10/77/29/645107729.db2.gz ILMMZTSPVFJYKY-NSHDSACASA-N 0 1 390.347 2.497 20 0 GEADMN O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)c1ccc(F)cc1Br ZINC000188813633 645126999 /nfs/dbraw/zinc/12/69/99/645126999.db2.gz HHBNNRBYONLDJX-UHFFFAOYSA-N 0 1 395.232 2.194 20 0 GEADMN C[C@H](O)CN1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000189854708 645144587 /nfs/dbraw/zinc/14/45/87/645144587.db2.gz AEDVOMDAFXTKGA-ZDUSSCGKSA-N 0 1 379.302 2.338 20 0 GEADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000190618491 645161201 /nfs/dbraw/zinc/16/12/01/645161201.db2.gz CDQRCANCKSMERK-JSGCOSHPSA-N 0 1 376.906 2.078 20 0 GEADMN COc1cccc([C@@H](CNC(=O)c2cc(Br)nn2C)N(C)C)c1 ZINC000191885616 645184537 /nfs/dbraw/zinc/18/45/37/645184537.db2.gz JDWKBDVLBCWNMG-CQSZACIVSA-N 0 1 381.274 2.224 20 0 GEADMN Cc1nc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)sc1C ZINC000192590912 645212993 /nfs/dbraw/zinc/21/29/93/645212993.db2.gz QDVYEQANZQGOBN-UHFFFAOYSA-N 0 1 382.555 2.176 20 0 GEADMN O=C1NC(=O)[C@@]2(CCCN(Cc3cc(Br)cc4cccnc43)C2)N1 ZINC000192672879 645220438 /nfs/dbraw/zinc/22/04/38/645220438.db2.gz LFBKIEYCZGXWSI-KRWDZBQOSA-N 0 1 389.253 2.171 20 0 GEADMN CN(C)CCCN(C(=O)/C=C/c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000192748965 645223431 /nfs/dbraw/zinc/22/34/31/645223431.db2.gz DOLZSZFKSLLXTD-ROJDOSBLSA-N 0 1 384.929 2.321 20 0 GEADMN COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000546173184 650994296 /nfs/dbraw/zinc/99/42/96/650994296.db2.gz SUNFFRGCJITLLR-NHYWBVRUSA-N 0 1 389.315 2.172 20 0 GEADMN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCNC(=O)c1ccc(Cl)cc1 ZINC000546179982 650994662 /nfs/dbraw/zinc/99/46/62/650994662.db2.gz ZQGBVFVEGQJBAZ-INIZCTEOSA-N 0 1 380.275 2.409 20 0 GEADMN [NH3+]CC(F)(F)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193312858 645266108 /nfs/dbraw/zinc/26/61/08/645266108.db2.gz XOQDTBOYBPLEAY-UHFFFAOYSA-N 0 1 381.601 2.114 20 0 GEADMN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCN(C2CCOCC2)CC1 ZINC000193579866 645286750 /nfs/dbraw/zinc/28/67/50/645286750.db2.gz GRLMIFLGHWPYQR-KRWDZBQOSA-N 0 1 395.297 2.076 20 0 GEADMN CSc1nn(Cc2noc(Cc3ccc(Br)cc3)n2)c(=O)[nH]1 ZINC000194579516 645335336 /nfs/dbraw/zinc/33/53/36/645335336.db2.gz BGFWDGIRZYFVLG-UHFFFAOYSA-N 0 1 382.243 2.078 20 0 GEADMN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1[nH]nnc1C ZINC000194595132 645336495 /nfs/dbraw/zinc/33/64/95/645336495.db2.gz OYZBNSYFWONPEH-UHFFFAOYSA-N 0 1 381.230 2.081 20 0 GEADMN CC1=CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000546579892 651002904 /nfs/dbraw/zinc/00/29/04/651002904.db2.gz MHMWQLVKNPNUDW-UHFFFAOYSA-N 0 1 384.249 2.295 20 0 GEADMN CCCCC[C@H](C)NC(=O)CS(=O)(=O)c1n[nH]c(Cc2cccs2)n1 ZINC000195164250 645359212 /nfs/dbraw/zinc/35/92/12/645359212.db2.gz RHSMJISYSVMFLH-LBPRGKRZSA-N 0 1 384.527 2.316 20 0 GEADMN Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]([C@H](C)O)C1 ZINC000228172472 645395830 /nfs/dbraw/zinc/39/58/30/645395830.db2.gz YTSCWHUTTICJKE-NWDGAFQWSA-N 0 1 388.249 2.241 20 0 GEADMN CS(=O)(=O)CC[C@H](N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000237341206 645428537 /nfs/dbraw/zinc/42/85/37/645428537.db2.gz QJVKDIHZMABVHQ-ZDUSSCGKSA-N 0 1 387.914 2.088 20 0 GEADMN 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0 GEADMN CCN1CCN(c2ccc(CNc3ncc(-c4nn[nH]n4)cc3Cl)cn2)CC1 ZINC000736570130 598390976 /nfs/dbraw/zinc/39/09/76/598390976.db2.gz WFNWBUSYFLKDBN-UHFFFAOYSA-N 0 1 399.890 2.064 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCc3ccc(C)cc32)cc1-c1nn[nH]n1 ZINC000737187727 598410572 /nfs/dbraw/zinc/41/05/72/598410572.db2.gz SIVXLILJBDOGMK-AWEZNQCLSA-N 0 1 382.449 2.415 20 0 GEADMN CC(C)Cc1nc(-c2nn[nH]n2)c(NNC(=S)Nc2ccc(Cl)nc2)o1 ZINC000735851060 598416194 /nfs/dbraw/zinc/41/61/94/598416194.db2.gz KRFXOCJJAQKIJT-UHFFFAOYSA-N 0 1 393.864 2.415 20 0 GEADMN C[C@@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000736113077 598502293 /nfs/dbraw/zinc/50/22/93/598502293.db2.gz WPRACWFMGJTMHQ-GFCCVEGCSA-N 0 1 392.394 2.198 20 0 GEADMN COc1ccc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c(OC)c1 ZINC000737065948 598502741 /nfs/dbraw/zinc/50/27/41/598502741.db2.gz KHWGUKHUFNFOQM-UHFFFAOYSA-N 0 1 391.387 2.082 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NCc1cccc(Cl)c1 ZINC000737981973 598503611 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COc1ccc(CN(CCO)Cc2ccc(F)cc2-c2nn[nH]n2)c(OC)c1 ZINC000737091200 598710110 /nfs/dbraw/zinc/71/01/10/598710110.db2.gz QUMOZEJQSSELNG-UHFFFAOYSA-N 0 1 387.415 2.018 20 0 GEADMN COCCN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000737001940 598727756 /nfs/dbraw/zinc/72/77/56/598727756.db2.gz GLFVAYLIONYNNE-UHFFFAOYSA-N 0 1 385.399 2.383 20 0 GEADMN Fc1cc(-c2nn[nH]n2)cc(F)c1N1CCC(CCN2CCOCC2)CC1 ZINC000737638939 598748008 /nfs/dbraw/zinc/74/80/08/598748008.db2.gz LKILYZIHACNXRU-UHFFFAOYSA-N 0 1 378.427 2.084 20 0 GEADMN NC(=O)c1cccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737761866 598765820 /nfs/dbraw/zinc/76/58/20/598765820.db2.gz UIYBXUKEEFIMAT-UHFFFAOYSA-N 0 1 378.436 2.009 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821979636 599448834 /nfs/dbraw/zinc/44/88/34/599448834.db2.gz UOVZWQSMXXJVLV-ACJLOTCBSA-N 0 1 382.449 2.149 20 0 GEADMN CCOCC[N@@H+]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1CC ZINC000821378877 599534377 /nfs/dbraw/zinc/53/43/77/599534377.db2.gz VSSUFSKAQXHGGF-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN CCOCC[N@H+]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1CC ZINC000821378877 599534380 /nfs/dbraw/zinc/53/43/80/599534380.db2.gz VSSUFSKAQXHGGF-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN CCOCC[N@@H+]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1CC ZINC000821378877 599534383 /nfs/dbraw/zinc/53/43/83/599534383.db2.gz VSSUFSKAQXHGGF-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN CCOCC[N@H+]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1CC ZINC000821378877 599534384 /nfs/dbraw/zinc/53/43/84/599534384.db2.gz VSSUFSKAQXHGGF-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN CN1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736861269 599563166 /nfs/dbraw/zinc/56/31/66/599563166.db2.gz ZWSZBMGPMJJUMP-UHFFFAOYSA-N 0 1 377.452 2.388 20 0 GEADMN CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000584116200 599706039 /nfs/dbraw/zinc/70/60/39/599706039.db2.gz OCIIXYKDBBBYCN-UHFFFAOYSA-N 0 1 391.493 2.485 20 0 GEADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)c2C(=O)[O-])C1 ZINC000736802210 599712038 /nfs/dbraw/zinc/71/20/38/599712038.db2.gz NFNYKVDGHMFTPS-WOPDTQHZSA-N 0 1 393.509 2.095 20 0 GEADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)c2C(=O)[O-])C1 ZINC000736802210 599712040 /nfs/dbraw/zinc/71/20/40/599712040.db2.gz NFNYKVDGHMFTPS-WOPDTQHZSA-N 0 1 393.509 2.095 20 0 GEADMN CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCc3ccc(C(=O)[O-])cc3)c2C1 ZINC000737030168 599722468 /nfs/dbraw/zinc/72/24/68/599722468.db2.gz KLMSDPRCPPWFEF-UHFFFAOYSA-N 0 1 395.459 2.408 20 0 GEADMN CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCCc3ccc(C(=O)[O-])cc3)c2C1 ZINC000737030168 599722469 /nfs/dbraw/zinc/72/24/69/599722469.db2.gz KLMSDPRCPPWFEF-UHFFFAOYSA-N 0 1 395.459 2.408 20 0 GEADMN CN(C(=O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1C(=O)[O-] ZINC000737324159 599752752 /nfs/dbraw/zinc/75/27/52/599752752.db2.gz MJYULJFURXUOIT-AWEZNQCLSA-N 0 1 391.468 2.194 20 0 GEADMN CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1C(=O)[O-] ZINC000737324159 599752755 /nfs/dbraw/zinc/75/27/55/599752755.db2.gz MJYULJFURXUOIT-AWEZNQCLSA-N 0 1 391.468 2.194 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000311909990 599775086 /nfs/dbraw/zinc/77/50/86/599775086.db2.gz HFGYLADDAYLCQZ-OAHLLOKOSA-N 0 1 378.450 2.168 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000740175713 599776074 /nfs/dbraw/zinc/77/60/74/599776074.db2.gz WHLRCQAOTVAMEJ-LBPRGKRZSA-N 0 1 384.479 2.230 20 0 GEADMN CN(C)S(=O)(=O)CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737441105 599780834 /nfs/dbraw/zinc/78/08/34/599780834.db2.gz PXXYFFUTIGMNDP-ZDUSSCGKSA-N 0 1 383.297 2.332 20 0 GEADMN CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736951865 599784591 /nfs/dbraw/zinc/78/45/91/599784591.db2.gz ITJIKSXSXOVBDO-OAHLLOKOSA-N 0 1 375.469 2.260 20 0 GEADMN CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736951865 599784592 /nfs/dbraw/zinc/78/45/92/599784592.db2.gz ITJIKSXSXOVBDO-OAHLLOKOSA-N 0 1 375.469 2.260 20 0 GEADMN C[C@H](OC(=O)c1ccccc1C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000736698446 599788742 /nfs/dbraw/zinc/78/87/42/599788742.db2.gz PYFHTLPELOBJLE-DOTOQJQBSA-N 0 1 396.443 2.321 20 0 GEADMN COc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)c1 ZINC000738142605 599794284 /nfs/dbraw/zinc/79/42/84/599794284.db2.gz CIKIHZIBSWSUGH-HNNXBMFYSA-N 0 1 398.463 2.246 20 0 GEADMN CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000736376983 599822827 /nfs/dbraw/zinc/82/28/27/599822827.db2.gz QWFOPRQDPNKEKN-GOSISDBHSA-N 0 1 388.468 2.204 20 0 GEADMN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cccc(C(=O)[O-])c3)c2)C1 ZINC000567860655 599833887 /nfs/dbraw/zinc/83/38/87/599833887.db2.gz VRHACVHHZPEDKS-IBGZPJMESA-N 0 1 395.459 2.012 20 0 GEADMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000574995504 599851527 /nfs/dbraw/zinc/85/15/27/599851527.db2.gz CWQDZVBPCUALNZ-HNNXBMFYSA-N 0 1 392.477 2.477 20 0 GEADMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000574995504 599851529 /nfs/dbraw/zinc/85/15/29/599851529.db2.gz CWQDZVBPCUALNZ-HNNXBMFYSA-N 0 1 392.477 2.477 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736788143 599876799 /nfs/dbraw/zinc/87/67/99/599876799.db2.gz AQZPEBIHSRVEGM-HNNXBMFYSA-N 0 1 375.469 2.023 20 0 GEADMN C[NH+]1CCN([C@@H](C(=O)Nc2cccc(OCC(=O)[O-])c2)c2ccccc2)CC1 ZINC000737515062 599904100 /nfs/dbraw/zinc/90/41/00/599904100.db2.gz FNMODILABACVMM-HXUWFJFHSA-N 0 1 383.448 2.077 20 0 GEADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000738275213 599935581 /nfs/dbraw/zinc/93/55/81/599935581.db2.gz NLPPYBKZGPGJAX-MRXNPFEDSA-N 0 1 380.441 2.414 20 0 GEADMN Cc1ccc(N2CCC[C@@H]([N@@H+](C)CC(=O)Nc3ccccc3C(=O)[O-])C2)nn1 ZINC000738279960 599957235 /nfs/dbraw/zinc/95/72/35/599957235.db2.gz XEWHENZBYDKQRJ-OAHLLOKOSA-N 0 1 383.452 2.023 20 0 GEADMN Cc1ccc(N2CCC[C@@H]([N@@H+](C)CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)nn1 ZINC000738278346 599957367 /nfs/dbraw/zinc/95/73/67/599957367.db2.gz MJUDSZGQKWKYCC-QGZVFWFLSA-N 0 1 383.452 2.023 20 0 GEADMN Cn1cc([C@@H]2CCC[N@@H+]2CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)cn1 ZINC000737504951 599980120 /nfs/dbraw/zinc/98/01/20/599980120.db2.gz ADDQEFSSQJSVIV-QFBILLFUSA-N 0 1 395.463 2.292 20 0 GEADMN Cn1cc([C@@H]2CCC[N@H+]2CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)cn1 ZINC000737504951 599980123 /nfs/dbraw/zinc/98/01/23/599980123.db2.gz ADDQEFSSQJSVIV-QFBILLFUSA-N 0 1 395.463 2.292 20 0 GEADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000736880847 599987725 /nfs/dbraw/zinc/98/77/25/599987725.db2.gz ZWMOECIWTXCOCE-OHNRDTAOSA-N 0 1 376.453 2.210 20 0 GEADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000736880847 599987727 /nfs/dbraw/zinc/98/77/27/599987727.db2.gz ZWMOECIWTXCOCE-OHNRDTAOSA-N 0 1 376.453 2.210 20 0 GEADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736443064 600021694 /nfs/dbraw/zinc/02/16/94/600021694.db2.gz MPXWFSYIKWVOIU-QGZVFWFLSA-N 0 1 395.525 2.483 20 0 GEADMN CCN(CC(=O)[O-])Cn1nc(C[NH+]2CCCC2)n(Cc2ccccc2)c1=S ZINC000737079459 600028157 /nfs/dbraw/zinc/02/81/57/600028157.db2.gz NGAGRFRCRHLXMQ-UHFFFAOYSA-N 0 1 389.525 2.422 20 0 GEADMN CCC(C)(C)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000736858684 600044355 /nfs/dbraw/zinc/04/43/55/600044355.db2.gz DAUQCWRWUXZGFH-OAHLLOKOSA-N 0 1 378.469 2.383 20 0 GEADMN CCC(C)(C)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000736858684 600044360 /nfs/dbraw/zinc/04/43/60/600044360.db2.gz DAUQCWRWUXZGFH-OAHLLOKOSA-N 0 1 378.469 2.383 20 0 GEADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](CC(=O)N1CCC[C@@H](C)C1)CC2 ZINC000737905699 600044454 /nfs/dbraw/zinc/04/44/54/600044454.db2.gz PHIMGEMJXUMBPH-PBHICJAKSA-N 0 1 390.480 2.336 20 0 GEADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC(=O)N1CCC[C@@H](C)C1)CC2 ZINC000737905699 600044457 /nfs/dbraw/zinc/04/44/57/600044457.db2.gz PHIMGEMJXUMBPH-PBHICJAKSA-N 0 1 390.480 2.336 20 0 GEADMN C[NH+]1CCN([C@H](C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c2ccccc2)CC1 ZINC000737515480 600044864 /nfs/dbraw/zinc/04/48/64/600044864.db2.gz JPOAGAJRNXSQPB-FQEVSTJZSA-N 0 1 379.460 2.216 20 0 GEADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)[NH+]2CCCC2)o1 ZINC000738553991 600050138 /nfs/dbraw/zinc/05/01/38/600050138.db2.gz YQAPRVDZZSPHPI-KRWDZBQOSA-N 0 1 399.447 2.486 20 0 GEADMN C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000736785854 600071570 /nfs/dbraw/zinc/07/15/70/600071570.db2.gz WDDSIMJSYXWSCX-KWCYVHTRSA-N 0 1 377.416 2.298 20 0 GEADMN C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000736785854 600071573 /nfs/dbraw/zinc/07/15/73/600071573.db2.gz WDDSIMJSYXWSCX-KWCYVHTRSA-N 0 1 377.416 2.298 20 0 GEADMN COC(=O)c1c(C(=O)[O-])c2n(c1-c1cccc(NC(=O)C[NH+](C)C)c1)CCC2 ZINC000737642819 600072393 /nfs/dbraw/zinc/07/23/93/600072393.db2.gz PPOCFMZUIVTAMV-UHFFFAOYSA-N 0 1 385.420 2.086 20 0 GEADMN COC(=O)c1cc(NC(=O)C[N@H+](C)CCc2ccccc2F)cc(C(=O)[O-])c1 ZINC000737660379 600081932 /nfs/dbraw/zinc/08/19/32/600081932.db2.gz MRMLGZODDMJBQW-UHFFFAOYSA-N 0 1 388.395 2.424 20 0 GEADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)CCc2ccccc2F)cc(C(=O)[O-])c1 ZINC000737660379 600081936 /nfs/dbraw/zinc/08/19/36/600081936.db2.gz MRMLGZODDMJBQW-UHFFFAOYSA-N 0 1 388.395 2.424 20 0 GEADMN O=C([O-])c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000739274429 600084385 /nfs/dbraw/zinc/08/43/85/600084385.db2.gz RKNKMQSIEGRRHP-UHFFFAOYSA-N 0 1 395.459 2.352 20 0 GEADMN Cc1[nH]c(C(=O)CN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738153181 600089262 /nfs/dbraw/zinc/08/92/62/600089262.db2.gz LOSXHFMNIQTCEB-HEHGZKQESA-N 0 1 377.485 2.086 20 0 GEADMN Cc1cccc(NC[C@H]2CC[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])C2)n1 ZINC000738735962 600095102 /nfs/dbraw/zinc/09/51/02/600095102.db2.gz FVERDPSFDOEBDF-YQYFLZKSSA-N 0 1 390.509 2.015 20 0 GEADMN Cc1cccc(NC[C@@H]2CC[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])C2)n1 ZINC000738735960 600095368 /nfs/dbraw/zinc/09/53/68/600095368.db2.gz FVERDPSFDOEBDF-PACYTGELSA-N 0 1 390.509 2.015 20 0 GEADMN O=C([O-])[C@@H]1C[C@@H]1C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000739547305 600105930 /nfs/dbraw/zinc/10/59/30/600105930.db2.gz LREZUGAHNQEHMK-RBUKOAKNSA-N 0 1 379.460 2.146 20 0 GEADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000262683761 600132207 /nfs/dbraw/zinc/13/22/07/600132207.db2.gz UHUGAFRVNQIEJJ-GOEBONIOSA-N 0 1 375.469 2.292 20 0 GEADMN CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000164629183 600137334 /nfs/dbraw/zinc/13/73/34/600137334.db2.gz FGVCTBPJYMLVRJ-CYBMUJFWSA-N 0 1 399.285 2.083 20 0 GEADMN COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000737814020 600175508 /nfs/dbraw/zinc/17/55/08/600175508.db2.gz ULWXVFBPROGKHP-MRXNPFEDSA-N 0 1 390.484 2.217 20 0 GEADMN C[N@@H+]1CCN(C(=O)NCc2cccc(OCC(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000737516615 600188949 /nfs/dbraw/zinc/18/89/49/600188949.db2.gz ZOKAZHUUZVBYKA-LJQANCHMSA-N 0 1 383.448 2.348 20 0 GEADMN C[N@H+]1CCN(C(=O)NCc2cccc(OCC(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000737516615 600188950 /nfs/dbraw/zinc/18/89/50/600188950.db2.gz ZOKAZHUUZVBYKA-LJQANCHMSA-N 0 1 383.448 2.348 20 0 GEADMN COC(=O)[C@@H]1CC12CCN(C[C@@H](C)C[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000737580219 600209735 /nfs/dbraw/zinc/20/97/35/600209735.db2.gz MGSYNIUADGSSQG-ULQDDVLXSA-N 0 1 378.513 2.084 20 0 GEADMN COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](C)CN1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000737580219 600209736 /nfs/dbraw/zinc/20/97/36/600209736.db2.gz MGSYNIUADGSSQG-ULQDDVLXSA-N 0 1 378.513 2.084 20 0 GEADMN C[NH+]1CCN([C@H](C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c2ccccc2)CC1 ZINC000737515159 600221129 /nfs/dbraw/zinc/22/11/29/600221129.db2.gz HUVUOGBCEPCKBW-ICSRJNTNSA-N 0 1 379.460 2.190 20 0 GEADMN C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000737358450 600226529 /nfs/dbraw/zinc/22/65/29/600226529.db2.gz MNYHWASCBYOPOX-KRWDZBQOSA-N 0 1 380.441 2.246 20 0 GEADMN O=C([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390533759 600235046 /nfs/dbraw/zinc/23/50/46/600235046.db2.gz JNNMIMGPTFHOSD-LJQANCHMSA-N 0 1 388.489 2.469 20 0 GEADMN CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)C1 ZINC000737286051 600235974 /nfs/dbraw/zinc/23/59/74/600235974.db2.gz ZHZPNYLCGNFFLP-CQSZACIVSA-N 0 1 377.466 2.478 20 0 GEADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736942236 600239597 /nfs/dbraw/zinc/23/95/97/600239597.db2.gz SCZWWLOHZBSCJZ-OAHLLOKOSA-N 0 1 376.457 2.120 20 0 GEADMN COCCOC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000737813529 600262042 /nfs/dbraw/zinc/26/20/42/600262042.db2.gz VDWSUTGOOPIDFW-UHFFFAOYSA-N 0 1 382.482 2.001 20 0 GEADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000736824149 600268200 /nfs/dbraw/zinc/26/82/00/600268200.db2.gz OSOQVHHFPPXVPR-QAPCUYQASA-N 0 1 386.496 2.089 20 0 GEADMN CC[N@@H+](CCC(=O)N(C)CC(=O)[O-])Cc1cc(Br)ccc1F ZINC000737093205 600294770 /nfs/dbraw/zinc/29/47/70/600294770.db2.gz CHXNWPHZLDTJIU-UHFFFAOYSA-N 0 1 375.238 2.343 20 0 GEADMN O=C([O-])CNC(=O)CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000739804869 600297335 /nfs/dbraw/zinc/29/73/35/600297335.db2.gz BBDKRMBLQGTCNT-CYBMUJFWSA-N 0 1 392.843 2.160 20 0 GEADMN COc1cccc2sc(NC(=O)C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)nc21 ZINC000738113259 600297426 /nfs/dbraw/zinc/29/74/26/600297426.db2.gz BUIWHFSLANNERV-NSHDSACASA-N 0 1 375.450 2.430 20 0 GEADMN O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000422539693 600304566 /nfs/dbraw/zinc/30/45/66/600304566.db2.gz HQYUBIFTXDGFES-MRXNPFEDSA-N 0 1 399.422 2.243 20 0 GEADMN O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000422539692 600304701 /nfs/dbraw/zinc/30/47/01/600304701.db2.gz HQYUBIFTXDGFES-INIZCTEOSA-N 0 1 399.422 2.243 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000736587697 600304865 /nfs/dbraw/zinc/30/48/65/600304865.db2.gz ZOOTVODRUWIQID-CYBMUJFWSA-N 0 1 399.422 2.025 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000736587697 600304872 /nfs/dbraw/zinc/30/48/72/600304872.db2.gz ZOOTVODRUWIQID-CYBMUJFWSA-N 0 1 399.422 2.025 20 0 GEADMN COc1cc(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c(OC)cc1Cl ZINC000737890905 600309094 /nfs/dbraw/zinc/30/90/94/600309094.db2.gz DNFWQAHTCNXIDB-LLVKDONJSA-N 0 1 382.844 2.482 20 0 GEADMN CCOCC[N@@H+]1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C[C@@H]1C ZINC000737177307 600309963 /nfs/dbraw/zinc/30/99/63/600309963.db2.gz WGNAAKTWANMGFO-LSDHHAIUSA-N 0 1 380.510 2.435 20 0 GEADMN CCOCC[N@H+]1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C[C@@H]1C ZINC000737177307 600309967 /nfs/dbraw/zinc/30/99/67/600309967.db2.gz WGNAAKTWANMGFO-LSDHHAIUSA-N 0 1 380.510 2.435 20 0 GEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736724038 600312532 /nfs/dbraw/zinc/31/25/32/600312532.db2.gz JQMBPPQRXCWNJG-CJNGLKHVSA-N 0 1 399.422 2.414 20 0 GEADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736749667 600313078 /nfs/dbraw/zinc/31/30/78/600313078.db2.gz LBMAISVWRLTGEK-BETUJISGSA-N 0 1 393.459 2.335 20 0 GEADMN CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)C2=O)cc1 ZINC000737032034 600314338 /nfs/dbraw/zinc/31/43/38/600314338.db2.gz VNZDZSDLKDFLJH-IRXDYDNUSA-N 0 1 386.448 2.294 20 0 GEADMN Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)C2=O)cc1Cl ZINC000738609074 600314915 /nfs/dbraw/zinc/31/49/15/600314915.db2.gz WRBNOUZXVXPGPN-HIFRSBDPSA-N 0 1 376.840 2.467 20 0 GEADMN Cc1c(C(=O)[O-])sc2[nH]c(CN3C[C@@H]4CCCC[N@@H+]4C[C@H]3C)nc(=O)c12 ZINC000738293158 600321501 /nfs/dbraw/zinc/32/15/01/600321501.db2.gz YCLFILITEKPBRD-PWSUYJOCSA-N 0 1 376.482 2.050 20 0 GEADMN O=C([O-])[C@H]1CC12CCN(C(=O)NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000739525811 600352927 /nfs/dbraw/zinc/35/29/27/600352927.db2.gz MRXWKVISXHYFHS-RBUKOAKNSA-N 0 1 385.508 2.447 20 0 GEADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000736783797 600354577 /nfs/dbraw/zinc/35/45/77/600354577.db2.gz HYEKLJVTODHCLJ-HOTGVXAUSA-N 0 1 387.480 2.436 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736789101 600362952 /nfs/dbraw/zinc/36/29/52/600362952.db2.gz JVNDYYPTSUMVHA-HNNXBMFYSA-N 0 1 390.484 2.164 20 0 GEADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736793096 600366491 /nfs/dbraw/zinc/36/64/91/600366491.db2.gz JKHUYEPISDEYPE-CQSZACIVSA-N 0 1 390.484 2.019 20 0 GEADMN C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736822034 600374621 /nfs/dbraw/zinc/37/46/21/600374621.db2.gz 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0 GEADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)cc(C(=O)[O-])c1 ZINC000831257001 602342496 /nfs/dbraw/zinc/34/24/96/602342496.db2.gz DJHMJDRRHCKYPS-GUYCJALGSA-N 0 1 392.452 2.245 20 0 GEADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)cc(C(=O)[O-])c1 ZINC000831257001 602342498 /nfs/dbraw/zinc/34/24/98/602342498.db2.gz DJHMJDRRHCKYPS-GUYCJALGSA-N 0 1 392.452 2.245 20 0 GEADMN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CN(C)C(=O)[O-])C2)c1C ZINC000739780775 602379458 /nfs/dbraw/zinc/37/94/58/602379458.db2.gz WJPKDSVPQHTEHV-ZIAGYGMSSA-N 0 1 379.457 2.311 20 0 GEADMN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CN(C)C(=O)[O-])C2)c1C ZINC000739780775 602379460 /nfs/dbraw/zinc/37/94/60/602379460.db2.gz WJPKDSVPQHTEHV-ZIAGYGMSSA-N 0 1 379.457 2.311 20 0 GEADMN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000738629556 602383446 /nfs/dbraw/zinc/38/34/46/602383446.db2.gz HXELJEHWQBEUKN-CQSZACIVSA-N 0 1 391.468 2.497 20 0 GEADMN CC(C)N(CCC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000738916793 602394797 /nfs/dbraw/zinc/39/47/97/602394797.db2.gz UFFAHSMVUOQIGX-KRWDZBQOSA-N 0 1 376.501 2.092 20 0 GEADMN CN(C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739638157 602398956 /nfs/dbraw/zinc/39/89/56/602398956.db2.gz VBDGVFNFQGXDKH-MAUKXSAKSA-N 0 1 393.459 2.047 20 0 GEADMN CCC(CC)[C@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)[NH+]1CCOCC1 ZINC000739253265 602414567 /nfs/dbraw/zinc/41/45/67/602414567.db2.gz QKUXLIUIQMLENY-SFHVURJKSA-N 0 1 398.548 2.155 20 0 GEADMN CC(C)N(Cc1ccccc1F)C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000738852901 602416775 /nfs/dbraw/zinc/41/67/75/602416775.db2.gz LLQPAZGTQCZXLR-UHFFFAOYSA-N 0 1 380.464 2.431 20 0 GEADMN CCN(CCNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000739430378 602439394 /nfs/dbraw/zinc/43/93/94/602439394.db2.gz DRLDCFOXPXCNAZ-IYBDPMFKSA-N 0 1 392.500 2.095 20 0 GEADMN O=C(c1cccc2[nH]cnc21)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826474126 607569733 /nfs/dbraw/zinc/56/97/33/607569733.db2.gz BCPWBYITGMYQBF-UHFFFAOYSA-N 0 1 388.435 2.096 20 0 GEADMN CN(C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1)C(=O)[O-] ZINC000739653615 602488449 /nfs/dbraw/zinc/48/84/49/602488449.db2.gz SEFMPSNUQCITMG-IRXDYDNUSA-N 0 1 377.460 2.496 20 0 GEADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](NC(=O)[O-])c3ccccc3)CC2)cn1 ZINC000739377993 602514574 /nfs/dbraw/zinc/51/45/74/602514574.db2.gz KNRKFADMYGWAGI-LJQANCHMSA-N 0 1 399.495 2.336 20 0 GEADMN CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](NC(=O)[O-])c3ccccc3)CC2)cn1 ZINC000739377993 602514577 /nfs/dbraw/zinc/51/45/77/602514577.db2.gz KNRKFADMYGWAGI-LJQANCHMSA-N 0 1 399.495 2.336 20 0 GEADMN O=C([O-])N[C@H](CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000740537395 602517890 /nfs/dbraw/zinc/51/78/90/602517890.db2.gz KHAIRNHREDARSW-RTBURBONSA-N 0 1 389.496 2.489 20 0 GEADMN CC(C)Nc1ncnc2c1ncn2C[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000738858742 602523391 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DEDVCSXCKIOGLM-JSGCOSHPSA-N 0 1 387.274 2.121 20 0 GEADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737851914 602535012 /nfs/dbraw/zinc/53/50/12/602535012.db2.gz SOKMMYWTJLDSJS-UHFFFAOYSA-N 0 1 393.484 2.127 20 0 GEADMN CN(C[C@H]1CC[N@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1)C(=O)[O-] ZINC000739657874 602536156 /nfs/dbraw/zinc/53/61/56/602536156.db2.gz AOMKKJBIMHIKFC-GFCCVEGCSA-N 0 1 377.363 2.102 20 0 GEADMN CN(C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1)C(=O)[O-] ZINC000739657874 602536158 /nfs/dbraw/zinc/53/61/58/602536158.db2.gz AOMKKJBIMHIKFC-GFCCVEGCSA-N 0 1 377.363 2.102 20 0 GEADMN COc1ccc(CN(C(=O)C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739901255 602538474 /nfs/dbraw/zinc/53/84/74/602538474.db2.gz CUHUUJIOLOZBPC-MRXNPFEDSA-N 0 1 375.469 2.118 20 0 GEADMN CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](NC(=O)[O-])C(C)C)CC2)cs1 ZINC000737279103 602539590 /nfs/dbraw/zinc/53/95/90/602539590.db2.gz HRBHDOUTZDCALD-MRXNPFEDSA-N 0 1 382.530 2.326 20 0 GEADMN CCC[C@@](C)(NC(=O)[O-])C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000739287386 602548770 /nfs/dbraw/zinc/54/87/70/602548770.db2.gz KETLBGQMMVRSQI-LJQANCHMSA-N 0 1 380.489 2.446 20 0 GEADMN CC(C)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000738789397 602558735 /nfs/dbraw/zinc/55/87/35/602558735.db2.gz MMRBTWLNJYCWJZ-IFXJQAMLSA-N 0 1 393.484 2.249 20 0 GEADMN CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000738789397 602558736 /nfs/dbraw/zinc/55/87/36/602558736.db2.gz MMRBTWLNJYCWJZ-IFXJQAMLSA-N 0 1 393.484 2.249 20 0 GEADMN CC(C)[C@@H](NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000738789395 602558858 /nfs/dbraw/zinc/55/88/58/602558858.db2.gz MMRBTWLNJYCWJZ-AUUYWEPGSA-N 0 1 393.484 2.249 20 0 GEADMN CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000738789395 602558859 /nfs/dbraw/zinc/55/88/59/602558859.db2.gz MMRBTWLNJYCWJZ-AUUYWEPGSA-N 0 1 393.484 2.249 20 0 GEADMN 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C[C@@H](CNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)[N@H+]1CCc2sccc2C1 ZINC000738919532 602618491 /nfs/dbraw/zinc/61/84/91/602618491.db2.gz YGTORCSCWJAOAL-UONOGXRCSA-N 0 1 380.514 2.136 20 0 GEADMN COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)NC(=O)[O-] ZINC000739965055 602620955 /nfs/dbraw/zinc/62/09/55/602620955.db2.gz VIHWJCYMMIDXEK-WBVHZDCISA-N 0 1 392.500 2.424 20 0 GEADMN CCCN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354926 602622713 /nfs/dbraw/zinc/62/27/13/602622713.db2.gz YUTCGRUAXYTMKS-HNNXBMFYSA-N 0 1 380.514 2.280 20 0 GEADMN CCCN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354926 602622715 /nfs/dbraw/zinc/62/27/15/602622715.db2.gz YUTCGRUAXYTMKS-HNNXBMFYSA-N 0 1 380.514 2.280 20 0 GEADMN C[C@@H](NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739175549 602629595 /nfs/dbraw/zinc/62/95/95/602629595.db2.gz BZAUQWDZUYMFDF-ILOCAZANSA-N 0 1 396.532 2.048 20 0 GEADMN 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CN1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731457 602716163 /nfs/dbraw/zinc/71/61/63/602716163.db2.gz KUNNUJBZIVQPMI-IEBWSBKVSA-N 0 1 388.512 2.060 20 0 GEADMN C[NH+]1CCC(N2CC[C@@H](NC(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731457 602716165 /nfs/dbraw/zinc/71/61/65/602716165.db2.gz KUNNUJBZIVQPMI-IEBWSBKVSA-N 0 1 388.512 2.060 20 0 GEADMN O=C([O-])N1CC[C@@H](CCNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000740431104 602719908 /nfs/dbraw/zinc/71/99/08/602719908.db2.gz UNFORNVHRHBJPA-QGZVFWFLSA-N 0 1 390.484 2.073 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)N3CCC(CNC(=O)[O-])CC3)CC2)cs1 ZINC000740222017 602724501 /nfs/dbraw/zinc/72/45/01/602724501.db2.gz CXOVROYQHWBRMK-UHFFFAOYSA-N 0 1 380.514 2.170 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCCN3C(=O)[O-])CC2)cs1 ZINC000740222860 602724531 /nfs/dbraw/zinc/72/45/31/602724531.db2.gz HPYWAJTWJBOPEF-INIZCTEOSA-N 0 1 380.514 2.312 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)CC2)cs1 ZINC000740221892 602726212 /nfs/dbraw/zinc/72/62/12/602726212.db2.gz AIRWYCQVDIAJIZ-MRXNPFEDSA-N 0 1 380.514 2.264 20 0 GEADMN CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000738863477 602761142 /nfs/dbraw/zinc/76/11/42/602761142.db2.gz NVWCYCXQDPXTBB-QAPCUYQASA-N 0 1 377.485 2.206 20 0 GEADMN CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000738863477 602761146 /nfs/dbraw/zinc/76/11/46/602761146.db2.gz NVWCYCXQDPXTBB-QAPCUYQASA-N 0 1 377.485 2.206 20 0 GEADMN CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000739405671 602777476 /nfs/dbraw/zinc/77/74/76/602777476.db2.gz DUTMBIXNONWTQN-RHSMWYFYSA-N 0 1 390.484 2.085 20 0 GEADMN CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000739405671 602777480 /nfs/dbraw/zinc/77/74/80/602777480.db2.gz DUTMBIXNONWTQN-RHSMWYFYSA-N 0 1 390.484 2.085 20 0 GEADMN Cc1c(F)cccc1-c1ccc(C[NH2+]CC(=O)N2CCN(C(=O)[O-])CC2)o1 ZINC000740045028 602790285 /nfs/dbraw/zinc/79/02/85/602790285.db2.gz GDTIFJIPAQVBMF-UHFFFAOYSA-N 0 1 375.400 2.306 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H](C)N(C(=O)[O-])[C@@H](C)C3)CC2)cs1 ZINC000740222468 602808500 /nfs/dbraw/zinc/80/85/00/602808500.db2.gz GPKZYZXWZMAJEJ-STQMWFEESA-N 0 1 380.514 2.263 20 0 GEADMN C[C@H](CNC(=O)CCC(C)(C)NC(=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000738917871 602822229 /nfs/dbraw/zinc/82/22/29/602822229.db2.gz YXSDEZSKTTYIRY-MRXNPFEDSA-N 0 1 376.501 2.140 20 0 GEADMN O=C([O-])N1CCC([N@@H+](Cn2cc(I)cn2)C2CC2)CC1 ZINC000740509001 602858102 /nfs/dbraw/zinc/85/81/02/602858102.db2.gz WNIJMGOZWQJJAL-UHFFFAOYSA-N 0 1 390.225 2.052 20 0 GEADMN Cc1sc2nc([C@@H](C)N(C)CC[NH+]3CCN(C(=O)[O-])CC3)[nH]c(=O)c2c1C ZINC000740276037 602874726 /nfs/dbraw/zinc/87/47/26/602874726.db2.gz MMCXMWNHOVMYMR-GFCCVEGCSA-N 0 1 393.513 2.302 20 0 GEADMN C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)N1C(=O)[O-] ZINC000739131091 602898264 /nfs/dbraw/zinc/89/82/64/602898264.db2.gz BRNSIXAAEQSTPD-SCTDSRPQSA-N 0 1 388.512 2.333 20 0 GEADMN C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739145390 602916253 /nfs/dbraw/zinc/91/62/53/602916253.db2.gz JDHZJDYAQPWDTP-YJBOKZPZSA-N 0 1 390.484 2.071 20 0 GEADMN C[C@H]1CN(C(=O)CC2CCN(C(=O)[O-])CC2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000739130418 602987057 /nfs/dbraw/zinc/98/70/57/602987057.db2.gz OFAJMVJBENOHDN-LPHOPBHVSA-N 0 1 389.496 2.033 20 0 GEADMN C[C@H]1CN(C(=O)CC2CCN(C(=O)[O-])CC2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000739130418 602987059 /nfs/dbraw/zinc/98/70/59/602987059.db2.gz OFAJMVJBENOHDN-LPHOPBHVSA-N 0 1 389.496 2.033 20 0 GEADMN C[C@@H]1CN(C(=O)CC2CCN(C(=O)[O-])CC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000739130424 602987101 /nfs/dbraw/zinc/98/71/01/602987101.db2.gz OFAJMVJBENOHDN-VQIMIIECSA-N 0 1 389.496 2.033 20 0 GEADMN C[C@@H]1CN(C(=O)CC2CCN(C(=O)[O-])CC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000739130424 602987104 /nfs/dbraw/zinc/98/71/04/602987104.db2.gz OFAJMVJBENOHDN-VQIMIIECSA-N 0 1 389.496 2.033 20 0 GEADMN CC[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)CC[N@H+]1CCOC ZINC000739279870 602997390 /nfs/dbraw/zinc/99/73/90/602997390.db2.gz OXFFTVDXFQPOGN-CQSZACIVSA-N 0 1 380.445 2.360 20 0 GEADMN COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)NC(=O)[O-] ZINC000739958282 603000579 /nfs/dbraw/zinc/00/05/79/603000579.db2.gz LCCIDMXPXACCCD-ZOBUZTSGSA-N 0 1 390.484 2.272 20 0 GEADMN COC1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCN(C(=O)[O-])CC1 ZINC000739800435 603030176 /nfs/dbraw/zinc/03/01/76/603030176.db2.gz XOYFNVSNTZULQA-IAGOWNOFSA-N 0 1 381.517 2.258 20 0 GEADMN C[C@@H](c1ccc(NC(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739057159 603030576 /nfs/dbraw/zinc/03/05/76/603030576.db2.gz LQAOTBNAEIGWBR-LSDHHAIUSA-N 0 1 376.457 2.201 20 0 GEADMN C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000739727886 603048189 /nfs/dbraw/zinc/04/81/89/603048189.db2.gz PXXZLTZUWQPSJO-BBRMVZONSA-N 0 1 375.425 2.019 20 0 GEADMN C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000739727886 603048194 /nfs/dbraw/zinc/04/81/94/603048194.db2.gz PXXZLTZUWQPSJO-BBRMVZONSA-N 0 1 375.425 2.019 20 0 GEADMN C[C@H]1C[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)CCN1C(=O)[O-] ZINC000739192627 603053711 /nfs/dbraw/zinc/05/37/11/603053711.db2.gz RSUQMVBYVLUUCV-NSHDSACASA-N 0 1 380.242 2.406 20 0 GEADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738512404 603079613 /nfs/dbraw/zinc/07/96/13/603079613.db2.gz JVTLRAPCFIPAES-CVEARBPZSA-N 0 1 393.488 2.006 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1F ZINC000740238471 603081615 /nfs/dbraw/zinc/08/16/15/603081615.db2.gz ZWQFSHZETRJDFJ-OAHLLOKOSA-N 0 1 375.404 2.165 20 0 GEADMN COCCN(CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000739816425 603105589 /nfs/dbraw/zinc/10/55/89/603105589.db2.gz LNJSTHIBIYYOQA-UHFFFAOYSA-N 0 1 383.876 2.001 20 0 GEADMN COCCN(CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000739816425 603105592 /nfs/dbraw/zinc/10/55/92/603105592.db2.gz LNJSTHIBIYYOQA-UHFFFAOYSA-N 0 1 383.876 2.001 20 0 GEADMN C[C@@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000738916420 603178133 /nfs/dbraw/zinc/17/81/33/603178133.db2.gz QNOBQDJDJBXRNO-INIZCTEOSA-N 0 1 381.476 2.428 20 0 GEADMN CSCC[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000829724274 603230386 /nfs/dbraw/zinc/23/03/86/603230386.db2.gz ZFVWETMGHDWARL-DOTOQJQBSA-N 0 1 379.526 2.499 20 0 GEADMN CC(C)[C@H](CNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)[NH+]1CCOCC1 ZINC000824110625 603273382 /nfs/dbraw/zinc/27/33/82/603273382.db2.gz NCESRNWEAQDEJH-RYQLBKOJSA-N 0 1 377.485 2.104 20 0 GEADMN CCC[C@](C)(NC(=O)[O-])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000739287632 603274419 /nfs/dbraw/zinc/27/44/19/603274419.db2.gz WCYSHQNCTXCZJD-UZLBHIALSA-N 0 1 376.501 2.140 20 0 GEADMN CN(CCCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)C(=O)[O-] ZINC000737519853 603282101 /nfs/dbraw/zinc/28/21/01/603282101.db2.gz JBQIWAWCIHQVBC-QGZVFWFLSA-N 0 1 390.484 2.181 20 0 GEADMN CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000738788773 603312605 /nfs/dbraw/zinc/31/26/05/603312605.db2.gz GECKEPBARHRQQD-MRXNPFEDSA-N 0 1 382.892 2.432 20 0 GEADMN CCN(Cc1cccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1)C(=O)[O-] ZINC000739447267 603344730 /nfs/dbraw/zinc/34/47/30/603344730.db2.gz NQTZONXMJSDXRV-DLBZAZTESA-N 0 1 376.457 2.171 20 0 GEADMN CC(C)[C@H](CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000825433680 603363754 /nfs/dbraw/zinc/36/37/54/603363754.db2.gz GGUDYVDMTHLKDM-PBHICJAKSA-N 0 1 378.473 2.494 20 0 GEADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000825426988 603368269 /nfs/dbraw/zinc/36/82/69/603368269.db2.gz NBYPMIZUZFLWCU-WMLDXEAASA-N 0 1 376.457 2.344 20 0 GEADMN CN(CCCNC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000739677945 603375059 /nfs/dbraw/zinc/37/50/59/603375059.db2.gz KVVDQWGTPUTOMO-UHFFFAOYSA-N 0 1 384.521 2.099 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](CNC(=O)[O-])c2ccccc2)cn1 ZINC000830819082 603375566 /nfs/dbraw/zinc/37/55/66/603375566.db2.gz VLYVGERGBWGALN-QGZVFWFLSA-N 0 1 379.420 2.243 20 0 GEADMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000739104131 603387543 /nfs/dbraw/zinc/38/75/43/603387543.db2.gz KBCXSQORYDCCJO-CQSZACIVSA-N 0 1 376.457 2.343 20 0 GEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739056325 603401009 /nfs/dbraw/zinc/40/10/09/603401009.db2.gz DNIBHABLLLEDCB-BPQIPLTHSA-N 0 1 375.469 2.097 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(Br)c2)CC[C@@H]1NC(=O)[O-] ZINC000739180341 603411848 /nfs/dbraw/zinc/41/18/48/603411848.db2.gz OSBCYERZRXUVHK-KYOSRNDESA-N 0 1 387.274 2.167 20 0 GEADMN C[C@@H](CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)NC(=O)[O-] ZINC000824647894 603412085 /nfs/dbraw/zinc/41/20/85/603412085.db2.gz ZIVQQXSVIDKTDA-AWEZNQCLSA-N 0 1 382.892 2.015 20 0 GEADMN Cc1cc(N2CCC[C@H](OC(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)C2)nc(C)[nH+]1 ZINC000830079361 603440829 /nfs/dbraw/zinc/44/08/29/603440829.db2.gz RRSUCVSTMDQOSH-PMPSAXMXSA-N 0 1 376.457 2.432 20 0 GEADMN CC(C)(CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)NC(=O)[O-] ZINC000823924623 603453765 /nfs/dbraw/zinc/45/37/65/603453765.db2.gz RLRHQBANAHABPL-UHFFFAOYSA-N 0 1 376.501 2.383 20 0 GEADMN COc1ccc2cc(CN(C)C(=O)C[N@H+](C)[C@H]3CCN(C(=O)[O-])C3)ccc2c1 ZINC000829526889 603484491 /nfs/dbraw/zinc/48/44/91/603484491.db2.gz PEBAYACJRSWRQK-SFHVURJKSA-N 0 1 385.464 2.491 20 0 GEADMN COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)[C@H]3CCN(C(=O)[O-])C3)ccc2c1 ZINC000829526889 603484493 /nfs/dbraw/zinc/48/44/93/603484493.db2.gz PEBAYACJRSWRQK-SFHVURJKSA-N 0 1 385.464 2.491 20 0 GEADMN C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828090126 603533804 /nfs/dbraw/zinc/53/38/04/603533804.db2.gz KOOLFYSTKCGBJC-MRXNPFEDSA-N 0 1 382.464 2.468 20 0 GEADMN C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828090126 603533805 /nfs/dbraw/zinc/53/38/05/603533805.db2.gz KOOLFYSTKCGBJC-MRXNPFEDSA-N 0 1 382.464 2.468 20 0 GEADMN CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(CN(CC)C(=O)[O-])CC2)c1 ZINC000827265142 603543530 /nfs/dbraw/zinc/54/35/30/603543530.db2.gz GSSPWXYIEKFQOT-UHFFFAOYSA-N 0 1 390.484 2.087 20 0 GEADMN Cn1c(C[N@H+](C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])nc2ccccc21 ZINC000828423142 603572761 /nfs/dbraw/zinc/57/27/61/603572761.db2.gz XJGYYBXXSRTGTD-HKUYNNGSSA-N 0 1 382.464 2.245 20 0 GEADMN Cn1c(C[N@@H+](C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])nc2ccccc21 ZINC000828423142 603572763 /nfs/dbraw/zinc/57/27/63/603572763.db2.gz XJGYYBXXSRTGTD-HKUYNNGSSA-N 0 1 382.464 2.245 20 0 GEADMN COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)[O-])cc1OC ZINC000829331615 603574734 /nfs/dbraw/zinc/57/47/34/603574734.db2.gz LEUKPBUWUWPGQI-HZPDHXFCSA-N 0 1 391.468 2.099 20 0 GEADMN COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2CNC(=O)[O-])cc1OC ZINC000829331615 603574738 /nfs/dbraw/zinc/57/47/38/603574738.db2.gz 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/nfs/dbraw/zinc/82/63/06/606826306.db2.gz UVKUFBXSDXPRIC-SFHVURJKSA-N 0 1 396.426 2.215 20 0 GEADMN O=C(NCCc1nc[nH]n1)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823229339 606835043 /nfs/dbraw/zinc/83/50/43/606835043.db2.gz MHBWGUDVLXXSBG-UHFFFAOYSA-N 0 1 391.395 2.141 20 0 GEADMN O=C(C(F)=C1CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822911829 606835418 /nfs/dbraw/zinc/83/54/18/606835418.db2.gz BBQAXKOHGUZCRP-UHFFFAOYSA-N 0 1 387.419 2.178 20 0 GEADMN O[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681931 606844696 /nfs/dbraw/zinc/84/46/96/606844696.db2.gz LLOROSYWCPHVDP-XBGMYJNYSA-N 0 1 390.491 2.231 20 0 GEADMN CCC[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000821040623 606861202 /nfs/dbraw/zinc/86/12/02/606861202.db2.gz NTPPKAROHAEVSI-XOBRGWDASA-N 0 1 397.483 2.103 20 0 GEADMN FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000822723518 606877179 /nfs/dbraw/zinc/87/71/79/606877179.db2.gz HDVXEPRZLYZKRG-QWHCGFSZSA-N 0 1 397.405 2.336 20 0 GEADMN C[C@H](c1ccccc1)N(CC(N)=O)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000822004711 606883449 /nfs/dbraw/zinc/88/34/49/606883449.db2.gz KEWSXOJPVYWMHH-CQSZACIVSA-N 0 1 375.436 2.168 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000821988249 606914603 /nfs/dbraw/zinc/91/46/03/606914603.db2.gz DIOINEIDDBBPAO-BONVTDFDSA-N 0 1 399.524 2.074 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000821988249 606914604 /nfs/dbraw/zinc/91/46/04/606914604.db2.gz DIOINEIDDBBPAO-BONVTDFDSA-N 0 1 399.524 2.074 20 0 GEADMN C[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C[C@H](O)c1ccccc1 ZINC000820760747 607064310 /nfs/dbraw/zinc/06/43/10/607064310.db2.gz SRUXPYHPIORNNS-YWZLYKJASA-N 0 1 396.470 2.246 20 0 GEADMN COCCN(CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccc(C)o1 ZINC000821689879 607124537 /nfs/dbraw/zinc/12/45/37/607124537.db2.gz QFJHTPGJNBCCMO-UHFFFAOYSA-N 0 1 387.440 2.304 20 0 GEADMN CC(C)(C)OC(=O)NCCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819940055 607126571 /nfs/dbraw/zinc/12/65/71/607126571.db2.gz OHHUOHSQKIXQPE-UHFFFAOYSA-N 0 1 388.472 2.235 20 0 GEADMN O=C(COc1ccc(Cl)cc1)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000823041298 607166988 /nfs/dbraw/zinc/16/69/88/607166988.db2.gz XMZDTKREXDRHTG-UHFFFAOYSA-N 0 1 395.806 2.483 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000822200012 607167560 /nfs/dbraw/zinc/16/75/60/607167560.db2.gz QODRWJDCRQBBNI-ZDUSSCGKSA-N 0 1 383.456 2.195 20 0 GEADMN CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H](C)c1cc2ccccc2o1 ZINC000821083225 607210131 /nfs/dbraw/zinc/21/01/31/607210131.db2.gz VYQAVQWRHZHZJV-GFCCVEGCSA-N 0 1 380.412 2.204 20 0 GEADMN C[C@H](Oc1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000820548854 607217235 /nfs/dbraw/zinc/21/72/35/607217235.db2.gz GUDWXOCRCPGGDM-ZDUSSCGKSA-N 0 1 390.407 2.237 20 0 GEADMN O=S(=O)(CCN[C@H]1CCc2cc(F)ccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000826485635 607815994 /nfs/dbraw/zinc/81/59/94/607815994.db2.gz YOIXPUJQCPIZCZ-KRWDZBQOSA-N 0 1 387.440 2.057 20 0 GEADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826523222 607849801 /nfs/dbraw/zinc/84/98/01/607849801.db2.gz FQKFJVCWMNPLJX-MRXNPFEDSA-N 0 1 393.495 2.496 20 0 GEADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826523222 607849802 /nfs/dbraw/zinc/84/98/02/607849802.db2.gz FQKFJVCWMNPLJX-MRXNPFEDSA-N 0 1 393.495 2.496 20 0 GEADMN Cc1sc(NC(=O)CN2CC[C@H](C3CCOCC3)C2)c(-c2nn[nH]n2)c1C ZINC000826349502 607859411 /nfs/dbraw/zinc/85/94/11/607859411.db2.gz JTTYELXKNUINTQ-AWEZNQCLSA-N 0 1 390.513 2.232 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826077413 608019762 /nfs/dbraw/zinc/01/97/62/608019762.db2.gz HKILLQZWQUUKSC-UHFFFAOYSA-N 0 1 382.472 2.012 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826077413 608019763 /nfs/dbraw/zinc/01/97/63/608019763.db2.gz HKILLQZWQUUKSC-UHFFFAOYSA-N 0 1 382.472 2.012 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826084297 608019899 /nfs/dbraw/zinc/01/98/99/608019899.db2.gz YCWQOFAOCCVQNC-UHFFFAOYSA-N 0 1 398.471 2.171 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826084297 608019900 /nfs/dbraw/zinc/01/99/00/608019900.db2.gz YCWQOFAOCCVQNC-UHFFFAOYSA-N 0 1 398.471 2.171 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](Cc2ccccc2)C(C)C)c1-c1nnn[n-]1 ZINC000826073506 608021136 /nfs/dbraw/zinc/02/11/36/608021136.db2.gz VGDIGVXZGLFSJE-HNNXBMFYSA-N 0 1 396.499 2.195 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](Cc2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000826073506 608021137 /nfs/dbraw/zinc/02/11/37/608021137.db2.gz VGDIGVXZGLFSJE-HNNXBMFYSA-N 0 1 396.499 2.195 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826077581 608021258 /nfs/dbraw/zinc/02/12/58/608021258.db2.gz NCSVQKNZGCCLSG-MGPQQGTHSA-N 0 1 386.504 2.287 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826077581 608021259 /nfs/dbraw/zinc/02/12/59/608021259.db2.gz NCSVQKNZGCCLSG-MGPQQGTHSA-N 0 1 386.504 2.287 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC(C)(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826077803 608021668 /nfs/dbraw/zinc/02/16/68/608021668.db2.gz WKOQIGVGLUHZOX-UHFFFAOYSA-N 0 1 382.472 2.048 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC(C)(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826077803 608021669 /nfs/dbraw/zinc/02/16/69/608021669.db2.gz WKOQIGVGLUHZOX-UHFFFAOYSA-N 0 1 382.472 2.048 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc3ccccc23)c1-c1nnn[n-]1 ZINC000826083042 608022328 /nfs/dbraw/zinc/02/23/28/608022328.db2.gz GWHJOZSDWJSKPN-UHFFFAOYSA-N 0 1 382.453 2.209 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc3ccccc23)c1-c1nn[n-]n1 ZINC000826083042 608022329 /nfs/dbraw/zinc/02/23/29/608022329.db2.gz GWHJOZSDWJSKPN-UHFFFAOYSA-N 0 1 382.453 2.209 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)n[nH]1 ZINC000825739166 608106483 /nfs/dbraw/zinc/10/64/83/608106483.db2.gz AQFKVTFOFWMWRZ-SSDOTTSWSA-N 0 1 393.358 2.031 20 0 GEADMN CC(C)OCCCC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824309635 608144321 /nfs/dbraw/zinc/14/43/21/608144321.db2.gz SMYFPBRSYNKHEV-UHFFFAOYSA-N 0 1 386.500 2.106 20 0 GEADMN O=C1C[C@H](NCc2cc(-c3nn[nH]n3)cs2)CN1c1c(F)cccc1F ZINC000826479088 608162625 /nfs/dbraw/zinc/16/26/25/608162625.db2.gz QCMMUOWJQQYAMJ-JTQLQIEISA-N 0 1 376.392 2.102 20 0 GEADMN O=C1C[C@@H](NCc2cc(-c3nn[nH]n3)cs2)CN1c1c(F)cccc1F ZINC000826479089 608162635 /nfs/dbraw/zinc/16/26/35/608162635.db2.gz QCMMUOWJQQYAMJ-SNVBAGLBSA-N 0 1 376.392 2.102 20 0 GEADMN Cc1cccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3-c3nn[nH]n3)[nH]c21 ZINC000826304818 608243637 /nfs/dbraw/zinc/24/36/37/608243637.db2.gz ZQGNHNMKGNNXPW-GFCCVEGCSA-N 0 1 377.408 2.135 20 0 GEADMN Cc1cccc2nc(CNC(=O)CSc3ccc(-c4nn[nH]n4)cc3)[nH]c21 ZINC000826304769 608243774 /nfs/dbraw/zinc/24/37/74/608243774.db2.gz XLXWJDOSTNNKSX-UHFFFAOYSA-N 0 1 379.449 2.460 20 0 GEADMN O=C(COc1ccccc1-c1nn[nH]n1)OC[C@@H]1CCCN1Cc1ccco1 ZINC000826419103 608249124 /nfs/dbraw/zinc/24/91/24/608249124.db2.gz JEQJTBOEIPAHDG-AWEZNQCLSA-N 0 1 383.408 2.046 20 0 GEADMN CC(=O)N1CCN(CCOc2ccccc2-c2nn[nH]n2)CC12CCCCC2 ZINC000823981048 608255222 /nfs/dbraw/zinc/25/52/22/608255222.db2.gz KGSOUGNFDLVSIX-UHFFFAOYSA-N 0 1 384.484 2.113 20 0 GEADMN CC[C@H]1CN(CCCOc2cccc(-c3nn[nH]n3)c2)CCN1CC(F)F ZINC000825210189 608256811 /nfs/dbraw/zinc/25/68/11/608256811.db2.gz FULKONSLAJOSDB-HNNXBMFYSA-N 0 1 380.443 2.297 20 0 GEADMN O=C(C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[N-]OCc1ccccc1 ZINC000826410108 608262444 /nfs/dbraw/zinc/26/24/44/608262444.db2.gz BSGMXKLBMOPWCO-UHFFFAOYSA-N 0 1 390.447 2.204 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826332449 608317573 /nfs/dbraw/zinc/31/75/73/608317573.db2.gz UYNNBYOMSLSWNT-HRAATJIYSA-N 0 1 393.495 2.488 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826332449 608317575 /nfs/dbraw/zinc/31/75/75/608317575.db2.gz UYNNBYOMSLSWNT-HRAATJIYSA-N 0 1 393.495 2.488 20 0 GEADMN O=C1[C@H](N2CCC[C@H](C[C@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476456 608326924 /nfs/dbraw/zinc/32/69/24/608326924.db2.gz IDFQQPUMLVBUNP-GPMSIDNRSA-N 0 1 396.495 2.111 20 0 GEADMN CCOc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(COC)cc1 ZINC000825632111 608391983 /nfs/dbraw/zinc/39/19/83/608391983.db2.gz LIRZRZFQPFKYLD-UHFFFAOYSA-N 0 1 389.437 2.213 20 0 GEADMN COc1ccccc1[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCC1 ZINC000826218525 608402295 /nfs/dbraw/zinc/40/22/95/608402295.db2.gz FMAVQWSGTFFDHG-MRXNPFEDSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccccc1[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCCC1 ZINC000826218525 608402296 /nfs/dbraw/zinc/40/22/96/608402296.db2.gz FMAVQWSGTFFDHG-MRXNPFEDSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000826184051 608429494 /nfs/dbraw/zinc/42/94/94/608429494.db2.gz JFCJZRSIEKUMHN-GFCCVEGCSA-N 0 1 387.465 2.130 20 0 GEADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000824004658 608432835 /nfs/dbraw/zinc/43/28/35/608432835.db2.gz BXDMWJSIDTYNRU-LLVKDONJSA-N 0 1 397.439 2.324 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000826184365 608459062 /nfs/dbraw/zinc/45/90/62/608459062.db2.gz UPOVIIPOYFTICB-UHFFFAOYSA-N 0 1 386.500 2.440 20 0 GEADMN CCc1ccc(CNC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000825711775 608531049 /nfs/dbraw/zinc/53/10/49/608531049.db2.gz FZJWWBRROLRXKO-UHFFFAOYSA-N 0 1 382.493 2.386 20 0 GEADMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc([S@@](C)=O)cc1 ZINC000824530067 608579248 /nfs/dbraw/zinc/57/92/48/608579248.db2.gz JHHOOXRBHXRLRO-UFEGIJMPSA-N 0 1 398.492 2.282 20 0 GEADMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824530070 608579337 /nfs/dbraw/zinc/57/93/37/608579337.db2.gz JHHOOXRBHXRLRO-ZBYRNGAHSA-N 0 1 398.492 2.282 20 0 GEADMN Cc1[nH+]ccn1CCCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C 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/nfs/dbraw/zinc/78/28/36/648782836.db2.gz OZOUGDMCFFPPPJ-DOMZBBRYSA-N 0 1 375.560 2.175 20 0 GEADMN CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])CC[N@H+]1C[C@H](C)O ZINC000436852705 648796821 /nfs/dbraw/zinc/79/68/21/648796821.db2.gz AXWIMOXINPFWKO-CMPLNLGQSA-N 0 1 389.265 2.211 20 0 GEADMN CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])CC[N@@H+]1CCOC ZINC000436854541 648797415 /nfs/dbraw/zinc/79/74/15/648797415.db2.gz GEMALVUWALRVJL-GFCCVEGCSA-N 0 1 389.265 2.477 20 0 GEADMN CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])CC[N@H+]1CCOC ZINC000436854541 648797425 /nfs/dbraw/zinc/79/74/25/648797425.db2.gz GEMALVUWALRVJL-GFCCVEGCSA-N 0 1 389.265 2.477 20 0 GEADMN C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436862313 648798455 /nfs/dbraw/zinc/79/84/55/648798455.db2.gz HBCUIQLUKHWXDH-JTQLQIEISA-N 0 1 375.238 2.134 20 0 GEADMN CN(C(=O)c1cc(I)ccc1[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000436972106 648800539 /nfs/dbraw/zinc/80/05/39/648800539.db2.gz MNJPPBYYWQCHEW-LBPRGKRZSA-N 0 1 386.233 2.306 20 0 GEADMN CN(C(=O)c1cc(I)ccc1[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000436972106 648800541 /nfs/dbraw/zinc/80/05/41/648800541.db2.gz MNJPPBYYWQCHEW-LBPRGKRZSA-N 0 1 386.233 2.306 20 0 GEADMN CS(=O)(=O)CCCNC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441472544 648829542 /nfs/dbraw/zinc/82/95/42/648829542.db2.gz IZYCMAQPUVLPOX-AWEZNQCLSA-N 0 1 384.889 2.498 20 0 GEADMN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441475059 648829677 /nfs/dbraw/zinc/82/96/77/648829677.db2.gz SBACNABCTIEVJN-IINYFYTJSA-N 0 1 384.889 2.496 20 0 GEADMN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000442349071 648841969 /nfs/dbraw/zinc/84/19/69/648841969.db2.gz LRDBMBXIWSCBAT-UHFFFAOYSA-N 0 1 383.447 2.068 20 0 GEADMN CCN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@H]1CCNC1=O ZINC000443037684 648856643 /nfs/dbraw/zinc/85/66/43/648856643.db2.gz NWROVWJZUFSZMK-NSHDSACASA-N 0 1 377.242 2.190 20 0 GEADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000443682205 648883754 /nfs/dbraw/zinc/88/37/54/648883754.db2.gz 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COc1cc(S(=O)(=O)NC[C@H](C)N2CCCC2)ccc1Br ZINC000548370352 651078039 /nfs/dbraw/zinc/07/80/39/651078039.db2.gz SXSWFJDBDVMJGB-NSHDSACASA-N 0 1 377.304 2.220 20 0 GEADMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000548919549 651089306 /nfs/dbraw/zinc/08/93/06/651089306.db2.gz RBYFCHPMIUFVFX-JKSUJKDBSA-N 0 1 385.961 2.300 20 0 GEADMN COCCN(Cc1ccc(F)cc1Cl)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000549139888 651092541 /nfs/dbraw/zinc/09/25/41/651092541.db2.gz HZKFGKSEMAXWFX-CYBMUJFWSA-N 0 1 378.897 2.209 20 0 GEADMN CN(CC(=O)N1CCN(C)C(C)(C)C1)C(=O)c1ccc(Br)s1 ZINC000549720909 651099252 /nfs/dbraw/zinc/09/92/52/651099252.db2.gz QINBSALUBDHMJI-UHFFFAOYSA-N 0 1 388.331 2.135 20 0 GEADMN CC[C@](C)(NC(=O)CNS(=O)(=O)c1c(F)cccc1F)c1nccs1 ZINC000550154779 651106137 /nfs/dbraw/zinc/10/61/37/651106137.db2.gz AXSAFFLTOMNBHU-HNNXBMFYSA-N 0 1 389.449 2.141 20 0 GEADMN Cc1[nH]ncc1CNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000551319723 651122316 /nfs/dbraw/zinc/12/23/16/651122316.db2.gz 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ZINC000553110067 651165321 /nfs/dbraw/zinc/16/53/21/651165321.db2.gz NTPFAUGRZLVOHP-UHFFFAOYSA-N 0 1 379.452 2.017 20 0 GEADMN CC(=O)Nc1ncc(S(=O)(=O)N(C)C(C)(C)CN2CCCCCC2)s1 ZINC000553516809 651178533 /nfs/dbraw/zinc/17/85/33/651178533.db2.gz FXNDKOICCVKTIR-UHFFFAOYSA-N 0 1 388.559 2.377 20 0 GEADMN Cc1nc([C@H](C)NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)n[nH]1 ZINC000553635053 651183547 /nfs/dbraw/zinc/18/35/47/651183547.db2.gz JPNBXNYJZZUGEG-ZETCQYMHSA-N 0 1 376.214 2.208 20 0 GEADMN O=S(=O)(NC[C@@H](O)COc1ccc(F)cc1)c1c(Cl)ccc(F)c1F ZINC000553830077 651189989 /nfs/dbraw/zinc/18/99/89/651189989.db2.gz KUJHZULKIYMRTC-SNVBAGLBSA-N 0 1 395.786 2.476 20 0 GEADMN COC(=O)[C@H](CC(F)F)NS(=O)(=O)Cc1ccccc1Br ZINC000553873231 651191910 /nfs/dbraw/zinc/19/19/10/651191910.db2.gz WRLLKNGYVYXNEN-JTQLQIEISA-N 0 1 386.214 2.065 20 0 GEADMN CCC[C@@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000554378908 651203455 /nfs/dbraw/zinc/20/34/55/651203455.db2.gz TUBPFIWQWRZGGW-NSHDSACASA-N 0 1 378.230 2.455 20 0 GEADMN CCC[C@@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000554378908 651203457 /nfs/dbraw/zinc/20/34/57/651203457.db2.gz TUBPFIWQWRZGGW-NSHDSACASA-N 0 1 378.230 2.455 20 0 GEADMN Cc1cnc(C(C)(C)NC(=O)CNS(=O)(=O)c2c(F)cccc2F)s1 ZINC000555537265 651228206 /nfs/dbraw/zinc/22/82/06/651228206.db2.gz BUNIOSGKZBZGLX-UHFFFAOYSA-N 0 1 389.449 2.060 20 0 GEADMN CCN(CC)[C@H](CNC(=O)C(=O)NCCc1cscn1)c1ccsc1 ZINC000555893037 651232148 /nfs/dbraw/zinc/23/21/48/651232148.db2.gz WWAMRBOFCKYZIF-OAHLLOKOSA-N 0 1 380.539 2.063 20 0 GEADMN C[C@H](Cn1cc(Br)ccc1=O)NCC(=O)N(C)C1CCCCC1 ZINC000556262990 651239060 /nfs/dbraw/zinc/23/90/60/651239060.db2.gz YWCKSVCBZCGCLR-CYBMUJFWSA-N 0 1 384.318 2.380 20 0 GEADMN O=C(CN[C@H](c1nnc[nH]1)c1cccnc1)Nc1cccc(Br)c1 ZINC000556252868 651239062 /nfs/dbraw/zinc/23/90/62/651239062.db2.gz KQQZOKIAAWBYFH-HNNXBMFYSA-N 0 1 387.241 2.280 20 0 GEADMN CC[C@H](CSC)N(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000556303948 651240110 /nfs/dbraw/zinc/24/01/10/651240110.db2.gz OJHBYZAMMMFRCC-OAHLLOKOSA-N 0 1 387.615 2.064 20 0 GEADMN CN(Cc1cnn(C)c1)C(=O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000556516554 651246017 /nfs/dbraw/zinc/24/60/17/651246017.db2.gz GMRAJCOXCBMHNF-QGZVFWFLSA-N 0 1 392.301 2.277 20 0 GEADMN O=C(NCCCc1nc[nH]n1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000556796702 651252887 /nfs/dbraw/zinc/25/28/87/651252887.db2.gz SXSYJBFGVAUXLV-LLVKDONJSA-N 0 1 382.251 2.213 20 0 GEADMN CN(Cc1ccccc1)C1CN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000557637239 651271178 /nfs/dbraw/zinc/27/11/78/651271178.db2.gz FIETYMJNLLWYFX-UHFFFAOYSA-N 0 1 390.281 2.435 20 0 GEADMN CO[C@@H]1[C@H]2C[C@H]3CN(S(=O)(=O)c4cc(C(F)(F)F)ccc4O)[C@H]1[C@H]3C2 ZINC000560285306 651306309 /nfs/dbraw/zinc/30/63/09/651306309.db2.gz QRSHSUGOVLCDEY-NOORDTQPSA-N 0 1 377.384 2.455 20 0 GEADMN CN1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000560672129 651313963 /nfs/dbraw/zinc/31/39/63/651313963.db2.gz LTBHLKPRYRNSIW-CJNGLKHVSA-N 0 1 384.307 2.205 20 0 GEADMN COC(=O)c1ccc(Cn2cc([C@H](N)[C@H]3CCCO3)nn2)c(Br)c1 ZINC000603239644 651473327 /nfs/dbraw/zinc/47/33/27/651473327.db2.gz INVHQTLJZDKURN-CABCVRRESA-N 0 1 395.257 2.054 20 0 GEADMN C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(I)c([O-])c1 ZINC000720843703 651476336 /nfs/dbraw/zinc/47/63/36/651476336.db2.gz JOPKYRACMKNPCY-CHWSQXEVSA-N 0 1 386.233 2.306 20 0 GEADMN C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(I)c([O-])c1 ZINC000720843703 651476339 /nfs/dbraw/zinc/47/63/39/651476339.db2.gz JOPKYRACMKNPCY-CHWSQXEVSA-N 0 1 386.233 2.306 20 0 GEADMN CC(C)(O)[C@@H]1CCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000721820408 651477607 /nfs/dbraw/zinc/47/76/07/651477607.db2.gz CIBZRNJTVCFLES-LLVKDONJSA-N 0 1 388.249 2.323 20 0 GEADMN C[C@@H]1C[C@@H](NC(=O)c2ncc(I)s2)CN1C1CC1 ZINC000603436761 651492589 /nfs/dbraw/zinc/49/25/89/651492589.db2.gz DAADTNFBJOUSKD-HTQZYQBOSA-N 0 1 377.251 2.103 20 0 GEADMN Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)n[nH]1 ZINC000603486800 651496456 /nfs/dbraw/zinc/49/64/56/651496456.db2.gz 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/nfs/dbraw/zinc/52/75/53/651527553.db2.gz MIXHTGXNHWZJPD-UHFFFAOYSA-N 0 1 379.305 2.436 20 0 GEADMN CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2cccc3nsnc32)[C@@H]1O ZINC000563528673 651529701 /nfs/dbraw/zinc/52/97/01/651529701.db2.gz YHBVOYKYEAFASW-OCCSQVGLSA-N 0 1 397.503 2.304 20 0 GEADMN C[C@H](CNC(=O)[C@H]1CCc2cc(Br)ccc21)N1CCN(C)CC1 ZINC000563538476 651530776 /nfs/dbraw/zinc/53/07/76/651530776.db2.gz VMJPFKCUJZVGMC-DYVFJYSZSA-N 0 1 380.330 2.231 20 0 GEADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644297552 651531885 /nfs/dbraw/zinc/53/18/85/651531885.db2.gz AWCXPEVQYGGTJJ-YDHLFZDLSA-N 0 1 388.917 2.078 20 0 GEADMN CN1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000644299728 651533162 /nfs/dbraw/zinc/53/31/62/651533162.db2.gz ATHUGRUIEUYKRZ-YUMQZZPRSA-N 0 1 385.736 2.489 20 0 GEADMN CN1C[C@H]2CCN(S(=O)(=O)c3cc(Br)ccc3Cl)[C@@H]2C1 ZINC000644300959 651533493 /nfs/dbraw/zinc/53/34/93/651533493.db2.gz OUBQFNIFANMVPB-BXKDBHETSA-N 0 1 379.707 2.427 20 0 GEADMN 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O=S(=O)(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(F)ccc1Cl ZINC000734243319 651740329 /nfs/dbraw/zinc/74/03/29/651740329.db2.gz HJWZEQNSEQWPOX-CQSZACIVSA-N 0 1 376.881 2.401 20 0 GEADMN COCCN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCO[C@@H]1C ZINC000570143403 651749704 /nfs/dbraw/zinc/74/97/04/651749704.db2.gz WNUDHNPHKFEJHK-IUODEOHRSA-N 0 1 396.285 2.083 20 0 GEADMN CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000647659445 651753085 /nfs/dbraw/zinc/75/30/85/651753085.db2.gz FMSOTAHXKSPXDV-VIFPVBQESA-N 0 1 396.245 2.019 20 0 GEADMN O=C(NC[C@H]1CN2CCN1CCC2)C1(c2ccc(Br)cc2)CCC1 ZINC000647678914 651754107 /nfs/dbraw/zinc/75/41/07/651754107.db2.gz FQARERQPJYOXHV-KRWDZBQOSA-N 0 1 392.341 2.377 20 0 GEADMN O=C(NC[C@@H]1CN2CCN1CCC2)c1cc(Cl)cc(F)c1Br ZINC000647678940 651754233 /nfs/dbraw/zinc/75/42/33/651754233.db2.gz GNHKOZWYQSXYCX-LLVKDONJSA-N 0 1 390.684 2.361 20 0 GEADMN COCC[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2OC)c1 ZINC000735026364 651763006 /nfs/dbraw/zinc/76/30/06/651763006.db2.gz 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ZINC000737860521 598825395 /nfs/dbraw/zinc/82/53/95/598825395.db2.gz SIMXXXHRQXMZHD-UHFFFAOYSA-N 0 1 378.367 2.350 20 0 GEADMN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCN(C2CCC2)CC1 ZINC000737833091 598826177 /nfs/dbraw/zinc/82/61/77/598826177.db2.gz OHRJWSMUBMOAGJ-UHFFFAOYSA-N 0 1 384.484 2.113 20 0 GEADMN Cc1cc(CNC(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)n[nH]1 ZINC000737263809 598838917 /nfs/dbraw/zinc/83/89/17/598838917.db2.gz JQJHVXGZBSIESN-UHFFFAOYSA-N 0 1 395.452 2.267 20 0 GEADMN Cc1cc(CNC(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)nc2)n[nH]1 ZINC000737265146 598851248 /nfs/dbraw/zinc/85/12/48/598851248.db2.gz SZVCAIZURXWRTM-UHFFFAOYSA-N 0 1 391.395 2.407 20 0 GEADMN CNC(=O)c1cccc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000736880981 598871792 /nfs/dbraw/zinc/87/17/92/598871792.db2.gz DNCIJQZEJSQSAP-UHFFFAOYSA-N 0 1 392.463 2.270 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000737187065 598878906 /nfs/dbraw/zinc/87/89/06/598878906.db2.gz OOUZOYQQGZGYNZ-UHFFFAOYSA-N 0 1 399.480 2.312 20 0 GEADMN CC[C@H](O)[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736379772 598915312 /nfs/dbraw/zinc/91/53/12/598915312.db2.gz DHCRWABWDQBVLJ-CABCVRRESA-N 0 1 378.864 2.084 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000737187363 598922560 /nfs/dbraw/zinc/92/25/60/598922560.db2.gz RBGBZJGCFLRKEE-CYBMUJFWSA-N 0 1 396.476 2.319 20 0 GEADMN CCCCN1C(=O)N=NC1SCCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000736472157 598937617 /nfs/dbraw/zinc/93/76/17/598937617.db2.gz XVYGIMDQEUBJMB-UHFFFAOYSA-N 0 1 391.457 2.144 20 0 GEADMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000736603154 598946736 /nfs/dbraw/zinc/94/67/36/598946736.db2.gz UOGBKAARXOBLHN-UHFFFAOYSA-N 0 1 387.421 2.153 20 0 GEADMN CN1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736859691 599018475 /nfs/dbraw/zinc/01/84/75/599018475.db2.gz HFMKNNUIACCKKY-UHFFFAOYSA-N 0 1 392.463 2.223 20 0 GEADMN C[C@H]1CN(CCCNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736285173 599041416 /nfs/dbraw/zinc/04/14/16/599041416.db2.gz ISYQAAWYOTVWPP-QWRGUYRKSA-N 0 1 385.394 2.192 20 0 GEADMN CC(C)Oc1ccc(CCN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735914772 599090580 /nfs/dbraw/zinc/09/05/80/599090580.db2.gz JHKVILCPRTZVDT-SFHVURJKSA-N 0 1 380.452 2.013 20 0 GEADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000819857885 599134881 /nfs/dbraw/zinc/13/48/81/599134881.db2.gz WJIRCPZRPSEASK-GFCCVEGCSA-N 0 1 382.390 2.099 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000736170103 599219679 /nfs/dbraw/zinc/21/96/79/599219679.db2.gz RRVFUZYCRJJGMW-DNVCBOLYSA-N 0 1 393.447 2.452 20 0 GEADMN O=C(CCSc1nc(-c2ccccn2)n[nH]1)Nc1ccccc1-c1nn[nH]n1 ZINC000737850369 599223627 /nfs/dbraw/zinc/22/36/27/599223627.db2.gz VINKEEPKCBCTRV-UHFFFAOYSA-N 0 1 393.436 2.168 20 0 GEADMN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[NH+]2CCC(C(=O)[O-])CC2)C1=O ZINC000739268295 596915620 /nfs/dbraw/zinc/91/56/20/596915620.db2.gz RRQALEXDGYPQMJ-GOSISDBHSA-N 0 1 379.844 2.251 20 0 GEADMN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[NH+]2CCC(C(=O)[O-])CC2)C1=O ZINC000739268314 596915836 /nfs/dbraw/zinc/91/58/36/596915836.db2.gz RRQALEXDGYPQMJ-SFHVURJKSA-N 0 1 379.844 2.251 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000737546070 599228037 /nfs/dbraw/zinc/22/80/37/599228037.db2.gz CBZFFVXQWACPAK-UKRRQHHQSA-N 0 1 395.467 2.258 20 0 GEADMN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000533203377 597080637 /nfs/dbraw/zinc/08/06/37/597080637.db2.gz ADEKCUMWOZNIJZ-RRFJBIMHSA-N 0 1 376.453 2.210 20 0 GEADMN CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000565458253 597083135 /nfs/dbraw/zinc/08/31/35/597083135.db2.gz KXVNGYMEAXQUEM-HNNXBMFYSA-N 0 1 375.469 2.294 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000737761594 597201106 /nfs/dbraw/zinc/20/11/06/597201106.db2.gz BMPZFNJIUZRIBV-RVKKMQEKSA-N 0 1 375.469 2.419 20 0 GEADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000737761594 597201107 /nfs/dbraw/zinc/20/11/07/597201107.db2.gz BMPZFNJIUZRIBV-RVKKMQEKSA-N 0 1 375.469 2.419 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])C[C@H](C)O1 ZINC000818112625 597340065 /nfs/dbraw/zinc/34/00/65/597340065.db2.gz FFSOKIPJVKKFLY-UXLLHSPISA-N 0 1 375.469 2.419 20 0 GEADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])C[C@H](C)O1 ZINC000818112625 597340068 /nfs/dbraw/zinc/34/00/68/597340068.db2.gz FFSOKIPJVKKFLY-UXLLHSPISA-N 0 1 375.469 2.419 20 0 GEADMN CC(C)c1nc(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])nn1-c1ccccc1F ZINC000817990646 597455391 /nfs/dbraw/zinc/45/53/91/597455391.db2.gz PORNNEKVKRWEBE-CYBMUJFWSA-N 0 1 390.415 2.236 20 0 GEADMN CCN(c1ccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1)C(C)C ZINC000821239458 607308155 /nfs/dbraw/zinc/30/81/55/607308155.db2.gz BNERWZCFIMFOBK-AWEZNQCLSA-N 0 1 381.488 2.452 20 0 GEADMN NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000822858568 607316405 /nfs/dbraw/zinc/31/64/05/607316405.db2.gz BJRREWZMSPNPKC-CQSZACIVSA-N 0 1 397.508 2.238 20 0 GEADMN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000822858568 607316406 /nfs/dbraw/zinc/31/64/06/607316406.db2.gz BJRREWZMSPNPKC-CQSZACIVSA-N 0 1 397.508 2.238 20 0 GEADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000566358000 597531618 /nfs/dbraw/zinc/53/16/18/597531618.db2.gz QGERBYIUJFTJRI-KOLCDFICSA-N 0 1 378.650 2.249 20 0 GEADMN O=C([O-])[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000819151773 597536576 /nfs/dbraw/zinc/53/65/76/597536576.db2.gz ZQQIWWGFGPJGLJ-ZDUSSCGKSA-N 0 1 385.395 2.423 20 0 GEADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCS[C@H](c2ccccc2)C1 ZINC000738388966 599272217 /nfs/dbraw/zinc/27/22/17/599272217.db2.gz UTJLUILMZKVPRZ-HKUYNNGSSA-N 0 1 397.504 2.397 20 0 GEADMN Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C(=O)[O-] ZINC000820991366 597707878 /nfs/dbraw/zinc/70/78/78/597707878.db2.gz CLQVMBLAAIZZSU-GJZGRUSLSA-N 0 1 387.480 2.401 20 0 GEADMN O=C([O-])c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000821446226 597713034 /nfs/dbraw/zinc/71/30/34/597713034.db2.gz BQOBCLHEVFHVTD-MRXNPFEDSA-N 0 1 387.411 2.412 20 0 GEADMN Cc1nc(COC(=O)c2ccc(OCc3ccccc3-c3nn[nH]n3)cc2)n[nH]1 ZINC000822444159 607319557 /nfs/dbraw/zinc/31/95/57/607319557.db2.gz DQSKVXUVUCMFNP-UHFFFAOYSA-N 0 1 391.391 2.229 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000821532605 598065817 /nfs/dbraw/zinc/06/58/17/598065817.db2.gz UDPSBAWVJCJLDI-ZDUSSCGKSA-N 0 1 380.828 2.173 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000821421178 598174695 /nfs/dbraw/zinc/17/46/95/598174695.db2.gz JKNCYODWKMOKJO-INIZCTEOSA-N 0 1 381.432 2.104 20 0 GEADMN c1ccc(OCCOCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000738436166 598252339 /nfs/dbraw/zinc/25/23/39/598252339.db2.gz QWSUHNLRICACOH-UHFFFAOYSA-N 0 1 394.479 2.084 20 0 GEADMN c1c(CNCCSCc2ccccc2-c2nn[nH]n2)nnn1-c1ccccc1 ZINC000738424286 598285213 /nfs/dbraw/zinc/28/52/13/598285213.db2.gz DBMUHWWIQATKDU-UHFFFAOYSA-N 0 1 392.492 2.470 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000737549319 598288469 /nfs/dbraw/zinc/28/84/69/598288469.db2.gz VTJRZIBDTDAHQX-UHFFFAOYSA-N 0 1 397.483 2.363 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000737549319 598288470 /nfs/dbraw/zinc/28/84/70/598288470.db2.gz VTJRZIBDTDAHQX-UHFFFAOYSA-N 0 1 397.483 2.363 20 0 GEADMN COc1cc(Br)c(C=O)cc1Oc1nccnc1-c1nn[nH]n1 ZINC000737031377 598338244 /nfs/dbraw/zinc/33/82/44/598338244.db2.gz APAFKPAXSPRSQE-UHFFFAOYSA-N 0 1 377.158 2.033 20 0 GEADMN Cc1ccc(N2CCC[C@H](N(C)Cc3ccc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC000737353404 598341584 /nfs/dbraw/zinc/34/15/84/598341584.db2.gz WFDMXSCTNVPIFA-INIZCTEOSA-N 0 1 382.447 2.205 20 0 GEADMN COc1ccccc1[C@@H](CNc1nccnc1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000737143643 598345691 /nfs/dbraw/zinc/34/56/91/598345691.db2.gz YBDPUTOGNLXCCT-OAHLLOKOSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccccc1[C@@H](CNc1nccnc1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000737143643 598345692 /nfs/dbraw/zinc/34/56/92/598345692.db2.gz YBDPUTOGNLXCCT-OAHLLOKOSA-N 0 1 380.456 2.304 20 0 GEADMN CC(=O)c1csc(C(=O)N(CCN(C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735503059 598401132 /nfs/dbraw/zinc/40/11/32/598401132.db2.gz GMWOBJPSNADGJA-UHFFFAOYSA-N 0 1 398.492 2.335 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2ccn3C)cc1-c1nn[nH]n1 ZINC000737188092 598408794 /nfs/dbraw/zinc/40/87/94/598408794.db2.gz YKGFSWUQUVLTAH-UHFFFAOYSA-N 0 1 381.421 2.433 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3ccc(C)cc32)cc1-c1nn[nH]n1 ZINC000737187728 598410857 /nfs/dbraw/zinc/41/08/57/598410857.db2.gz SIVXLILJBDOGMK-CQSZACIVSA-N 0 1 382.449 2.415 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCCc3sccc3C2)cc1-c1nn[nH]n1 ZINC000737185804 598431769 /nfs/dbraw/zinc/43/17/69/598431769.db2.gz CSQFVQVTGMXQQP-UHFFFAOYSA-N 0 1 388.478 2.339 20 0 GEADMN CC(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000735683576 598433832 /nfs/dbraw/zinc/43/38/32/598433832.db2.gz AMELAGURGSYAQD-UHFFFAOYSA-N 0 1 376.214 2.169 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2nc(Cc3ccccc3)no2)c2ccccc21 ZINC000738371207 598504890 /nfs/dbraw/zinc/50/48/90/598504890.db2.gz HGDYMEMZJDOLOM-UHFFFAOYSA-N 0 1 385.387 2.204 20 0 GEADMN CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736350197 598529608 /nfs/dbraw/zinc/52/96/08/598529608.db2.gz KSMNCDWSEJYWDU-LBPRGKRZSA-N 0 1 384.465 2.440 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000737545955 598614078 /nfs/dbraw/zinc/61/40/78/598614078.db2.gz AHIWXMZBOKOPFI-LSDHHAIUSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000737545955 598614080 /nfs/dbraw/zinc/61/40/80/598614080.db2.gz AHIWXMZBOKOPFI-LSDHHAIUSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000737545955 598614082 /nfs/dbraw/zinc/61/40/82/598614082.db2.gz AHIWXMZBOKOPFI-LSDHHAIUSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000737545955 598614084 /nfs/dbraw/zinc/61/40/84/598614084.db2.gz AHIWXMZBOKOPFI-LSDHHAIUSA-N 0 1 395.467 2.258 20 0 GEADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738075969 598625263 /nfs/dbraw/zinc/62/52/63/598625263.db2.gz TXYABLCZXANGOZ-UHFFFAOYSA-N 0 1 381.415 2.186 20 0 GEADMN Cc1cccc(NC[C@@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)C2)n1 ZINC000737400540 598671536 /nfs/dbraw/zinc/67/15/36/598671536.db2.gz VKIDIPLYXDAXDE-AWEZNQCLSA-N 0 1 376.468 2.392 20 0 GEADMN O=c1c(-c2nn[nH]n2)cccn1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000738372403 598676761 /nfs/dbraw/zinc/67/67/61/598676761.db2.gz PPGFMYPLQTWFJL-UHFFFAOYSA-N 0 1 399.208 2.494 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCC[C@H]2CCCC[C@@H]21 ZINC000737980949 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/nfs/dbraw/zinc/39/60/47/599396047.db2.gz PCJAMVQVMAKLJM-UHFFFAOYSA-N 0 1 396.451 2.253 20 0 GEADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)COc1cccc(C(F)(F)F)c1 ZINC000823689337 599415245 /nfs/dbraw/zinc/41/52/45/599415245.db2.gz DYXBFXAWLMKFKA-NSHDSACASA-N 0 1 383.330 2.008 20 0 GEADMN FC(F)Oc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000822736281 599443548 /nfs/dbraw/zinc/44/35/48/599443548.db2.gz CMOQZNYSWGUAPM-NSHDSACASA-N 0 1 376.367 2.430 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NC2(c3ccccc3F)CC2)cc1-c1nn[nH]n1 ZINC000737188053 599495703 /nfs/dbraw/zinc/49/57/03/599495703.db2.gz WZGUJCPLPINSMK-UHFFFAOYSA-N 0 1 386.412 2.247 20 0 GEADMN O=C(N[C@H]1CC=CCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738024017 599507186 /nfs/dbraw/zinc/50/71/86/599507186.db2.gz XBQUFVVWTVDITA-SFHVURJKSA-N 0 1 381.484 2.193 20 0 GEADMN C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CCN1C[C@H](O)c1ccccc1 ZINC000820768612 599530618 /nfs/dbraw/zinc/53/06/18/599530618.db2.gz OTTVOOVISKBOMS-LIRRHRJNSA-N 0 1 382.443 2.250 20 0 GEADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820776709 599531134 /nfs/dbraw/zinc/53/11/34/599531134.db2.gz MWRXWDLLCUMFFY-CZUORRHYSA-N 0 1 399.886 2.159 20 0 GEADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820776709 599531137 /nfs/dbraw/zinc/53/11/37/599531137.db2.gz MWRXWDLLCUMFFY-CZUORRHYSA-N 0 1 399.886 2.159 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000820524801 599692341 /nfs/dbraw/zinc/69/23/41/599692341.db2.gz AABRMNLJEARXLF-LLVKDONJSA-N 0 1 395.398 2.008 20 0 GEADMN CC1(C)C(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1(C)C ZINC000820583366 599696752 /nfs/dbraw/zinc/69/67/52/599696752.db2.gz CRJOHEKURQDJIK-UHFFFAOYSA-N 0 1 385.472 2.063 20 0 GEADMN Cc1occc1C(=O)NC1CC[NH+](CC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC000738986451 599709540 /nfs/dbraw/zinc/70/95/40/599709540.db2.gz SURPMSUYVMSJNS-UHFFFAOYSA-N 0 1 399.447 2.143 20 0 GEADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000736791786 599722227 /nfs/dbraw/zinc/72/22/27/599722227.db2.gz DLHKHDWWXCIQRY-RYUDHWBXSA-N 0 1 380.420 2.091 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000736782318 599722239 /nfs/dbraw/zinc/72/22/39/599722239.db2.gz BOXUDXHEGWPDOW-NWDGAFQWSA-N 0 1 380.420 2.233 20 0 GEADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000736782321 599722378 /nfs/dbraw/zinc/72/23/78/599722378.db2.gz BOXUDXHEGWPDOW-RYUDHWBXSA-N 0 1 380.420 2.233 20 0 GEADMN CN(C(=O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1C(=O)[O-] ZINC000737324160 599752935 /nfs/dbraw/zinc/75/29/35/599752935.db2.gz MJYULJFURXUOIT-CQSZACIVSA-N 0 1 391.468 2.194 20 0 GEADMN CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1C(=O)[O-] ZINC000737324160 599752936 /nfs/dbraw/zinc/75/29/36/599752936.db2.gz MJYULJFURXUOIT-CQSZACIVSA-N 0 1 391.468 2.194 20 0 GEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000650506436 599753260 /nfs/dbraw/zinc/75/32/60/599753260.db2.gz LXECQKWFNPPALR-SFHVURJKSA-N 0 1 393.915 2.313 20 0 GEADMN COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)[NH+]1CCCC1 ZINC000738119520 599767050 /nfs/dbraw/zinc/76/70/50/599767050.db2.gz IPMSMGDTTYGRGP-AWEZNQCLSA-N 0 1 394.449 2.102 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000311909989 599774842 /nfs/dbraw/zinc/77/48/42/599774842.db2.gz HFGYLADDAYLCQZ-HNNXBMFYSA-N 0 1 378.450 2.168 20 0 GEADMN CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC[C@@H](C)C(=O)[O-])c2c1C ZINC000594546165 599783893 /nfs/dbraw/zinc/78/38/93/599783893.db2.gz SWTSJGMWXXEVMI-SECBINFHSA-N 0 1 380.470 2.371 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736788952 599796856 /nfs/dbraw/zinc/79/68/56/599796856.db2.gz JAWIYCWCRNRSSE-HNNXBMFYSA-N 0 1 384.498 2.083 20 0 GEADMN NS(=O)(=O)c1ccc(CC[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000739190987 599804520 /nfs/dbraw/zinc/80/45/20/599804520.db2.gz WWAWNHKZDLCYDE-UHFFFAOYSA-N 0 1 382.869 2.117 20 0 GEADMN COc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1C(=O)[O-] ZINC000737996721 599807742 /nfs/dbraw/zinc/80/77/42/599807742.db2.gz HGUWZBVTRCIYBY-HXUWFJFHSA-N 0 1 398.459 2.208 20 0 GEADMN COCC[NH+]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000737814067 599822514 /nfs/dbraw/zinc/82/25/14/599822514.db2.gz UYNBLJSVJFTDFG-UHFFFAOYSA-N 0 1 381.498 2.190 20 0 GEADMN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736740427 599840079 /nfs/dbraw/zinc/84/00/79/599840079.db2.gz BDWMUHQAUPIKRK-DYESRHJHSA-N 0 1 385.464 2.229 20 0 GEADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000736785001 599878050 /nfs/dbraw/zinc/87/80/50/599878050.db2.gz OMSXHEPQRUFKJU-GJZGRUSLSA-N 0 1 375.469 2.021 20 0 GEADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000736785000 599878101 /nfs/dbraw/zinc/87/81/01/599878101.db2.gz OMSXHEPQRUFKJU-CABCVRRESA-N 0 1 375.469 2.021 20 0 GEADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736749226 599879712 /nfs/dbraw/zinc/87/97/12/599879712.db2.gz IRCMLTSYNZKQFF-OWCLPIDISA-N 0 1 389.496 2.125 20 0 GEADMN C[NH+]1CCN([C@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737514894 599904942 /nfs/dbraw/zinc/90/49/42/599904942.db2.gz CTPASBAKKOTUQT-FQEVSTJZSA-N 0 1 383.448 2.077 20 0 GEADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000736825270 599942603 /nfs/dbraw/zinc/94/26/03/599942603.db2.gz QXFPTQNBJAHACW-XMSQKQJNSA-N 0 1 397.519 2.388 20 0 GEADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000736825270 599942606 /nfs/dbraw/zinc/94/26/06/599942606.db2.gz QXFPTQNBJAHACW-XMSQKQJNSA-N 0 1 397.519 2.388 20 0 GEADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000736825270 599942608 /nfs/dbraw/zinc/94/26/08/599942608.db2.gz QXFPTQNBJAHACW-XMSQKQJNSA-N 0 1 397.519 2.388 20 0 GEADMN CC(C)NC(=O)CN1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000736477766 599946893 /nfs/dbraw/zinc/94/68/93/599946893.db2.gz RKTMLMQYDAHOFQ-UHFFFAOYSA-N 0 1 375.494 2.242 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1C(=O)[O-] ZINC000738229607 599956623 /nfs/dbraw/zinc/95/66/23/599956623.db2.gz LKCXEJURGOTKHQ-LSDHHAIUSA-N 0 1 385.468 2.292 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1C(=O)[O-] ZINC000738229607 599956624 /nfs/dbraw/zinc/95/66/24/599956624.db2.gz LKCXEJURGOTKHQ-LSDHHAIUSA-N 0 1 385.468 2.292 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000738518708 599957293 /nfs/dbraw/zinc/95/72/93/599957293.db2.gz NHCQZHFKZLHNBA-HNNXBMFYSA-N 0 1 383.452 2.023 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000738518708 599957294 /nfs/dbraw/zinc/95/72/94/599957294.db2.gz NHCQZHFKZLHNBA-HNNXBMFYSA-N 0 1 383.452 2.023 20 0 GEADMN 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CCC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354001 602578485 /nfs/dbraw/zinc/57/84/85/602578485.db2.gz NYDUKPDBUFANSW-CQSZACIVSA-N 0 1 391.497 2.396 20 0 GEADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCCN3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739185658 602587972 /nfs/dbraw/zinc/58/79/72/602587972.db2.gz PZJCJCJADKELOJ-IIDMSEBBSA-N 0 1 375.469 2.168 20 0 GEADMN O=C([O-])NC1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000740589924 602594516 /nfs/dbraw/zinc/59/45/16/602594516.db2.gz OUEFWRLUOMOCLG-UHFFFAOYSA-N 0 1 378.498 2.499 20 0 GEADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000739183998 602717554 /nfs/dbraw/zinc/71/75/54/602717554.db2.gz IJMQDHPDXJOBCX-HRCADAONSA-N 0 1 375.469 2.120 20 0 GEADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000739183998 602717556 /nfs/dbraw/zinc/71/75/56/602717556.db2.gz IJMQDHPDXJOBCX-HRCADAONSA-N 0 1 375.469 2.120 20 0 GEADMN 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CCCCNC(=O)C1(NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821065006 606646771 /nfs/dbraw/zinc/64/67/71/606646771.db2.gz DKQFQAVQQLJLFX-UHFFFAOYSA-N 0 1 399.499 2.014 20 0 GEADMN CC(C)(C)CCN1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000819914499 606672562 /nfs/dbraw/zinc/67/25/62/606672562.db2.gz UIMAILGPUDVUAM-UHFFFAOYSA-N 0 1 378.427 2.339 20 0 GEADMN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926643 606741969 /nfs/dbraw/zinc/74/19/69/606741969.db2.gz UREZXKFFIOXIEW-MJGOQNOKSA-N 0 1 382.468 2.229 20 0 GEADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000821589552 606820512 /nfs/dbraw/zinc/82/05/12/606820512.db2.gz SPACMLUGSOBIIK-UHFFFAOYSA-N 0 1 398.370 2.151 20 0 GEADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000823123257 606825957 /nfs/dbraw/zinc/82/59/57/606825957.db2.gz UVKUFBXSDXPRIC-GOSISDBHSA-N 0 1 396.426 2.215 20 0 GEADMN C[C@@H](Sc1c[nH]nn1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820554911 606874048 /nfs/dbraw/zinc/87/40/48/606874048.db2.gz BIJMLJKXUBBQQL-MRVPVSSYSA-N 0 1 390.498 2.435 20 0 GEADMN c1ccc2c(c1)nc(N[C@@H]1CCCC[C@@H]1N1CCOCC1)cc2-c1nn[nH]n1 ZINC000823792580 606877747 /nfs/dbraw/zinc/87/77/47/606877747.db2.gz YIWFTHYMWULNDS-MSOLQXFVSA-N 0 1 379.468 2.470 20 0 GEADMN O=S(=O)(N[C@@H]1CCc2cc(F)ccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572596 606888875 /nfs/dbraw/zinc/88/88/75/606888875.db2.gz JEJYMCMHYGKXNY-CQSZACIVSA-N 0 1 395.366 2.250 20 0 GEADMN O=S(=O)(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573194 606889002 /nfs/dbraw/zinc/88/90/02/606889002.db2.gz RYJTXLMMVXOOLF-BXUZGUMPSA-N 0 1 395.366 2.118 20 0 GEADMN Cc1cc(F)ccc1CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822206110 606896079 /nfs/dbraw/zinc/89/60/79/606896079.db2.gz UVPCUEWHWSFVSJ-UHFFFAOYSA-N 0 1 397.382 2.113 20 0 GEADMN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821653671 606908315 /nfs/dbraw/zinc/90/83/15/606908315.db2.gz HIYYGXLXRFURDB-GBESFXJTSA-N 0 1 399.495 2.344 20 0 GEADMN CCc1nnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821529119 606917568 /nfs/dbraw/zinc/91/75/68/606917568.db2.gz SXPWFTKXORBTSB-OAHLLOKOSA-N 0 1 378.484 2.468 20 0 GEADMN CCc1nnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821529119 606917569 /nfs/dbraw/zinc/91/75/69/606917569.db2.gz SXPWFTKXORBTSB-OAHLLOKOSA-N 0 1 378.484 2.468 20 0 GEADMN CCc1nnc(NC2CCN(Cc3ccncc3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528465 606922449 /nfs/dbraw/zinc/92/24/49/606922449.db2.gz NOYZONBYWNITKX-UHFFFAOYSA-N 0 1 393.499 2.253 20 0 GEADMN Cc1ccc(C)c(N2CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822232011 606990453 /nfs/dbraw/zinc/99/04/53/606990453.db2.gz QITBOXZFXXGHQM-HXUWFJFHSA-N 0 1 378.480 2.339 20 0 GEADMN Cc1cccc(C)c1CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822294139 607006535 /nfs/dbraw/zinc/00/65/35/607006535.db2.gz SFNLCLASZTWXCS-UHFFFAOYSA-N 0 1 393.419 2.283 20 0 GEADMN CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@H](O)C(C)(C)C1 ZINC000446065234 649970049 /nfs/dbraw/zinc/97/00/49/649970049.db2.gz ZRDXQDAIJAVMBH-INIZCTEOSA-N 0 1 399.329 2.379 20 0 GEADMN CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000821309235 607032878 /nfs/dbraw/zinc/03/28/78/607032878.db2.gz LDSQJPPSMCQMBO-UHFFFAOYSA-N 0 1 379.833 2.148 20 0 GEADMN CCCN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821099182 607042856 /nfs/dbraw/zinc/04/28/56/607042856.db2.gz AUKOXFFOGLEVPD-UHFFFAOYSA-N 0 1 389.529 2.275 20 0 GEADMN Cc1occc1C(=O)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822552466 607062949 /nfs/dbraw/zinc/06/29/49/607062949.db2.gz AWKUHFUVFFZQFH-UHFFFAOYSA-N 0 1 384.415 2.302 20 0 GEADMN O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997080 607107636 /nfs/dbraw/zinc/10/76/36/607107636.db2.gz MTXIIPODXRBACR-SGTLLEGYSA-N 0 1 390.875 2.086 20 0 GEADMN O=C(NC1CC=CC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823145337 607141757 /nfs/dbraw/zinc/14/17/57/607141757.db2.gz REFZONAKOXAHSX-UHFFFAOYSA-N 0 1 395.423 2.166 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000822200264 607167865 /nfs/dbraw/zinc/16/78/65/607167865.db2.gz ZZFNKRJPDNVDRT-SJKOYZFVSA-N 0 1 383.456 2.049 20 0 GEADMN Cc1csc(Sc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)n1 ZINC000822414423 607208908 /nfs/dbraw/zinc/20/89/08/607208908.db2.gz FFBGUQGFBWXRGB-UHFFFAOYSA-N 0 1 399.465 2.013 20 0 GEADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000820333790 607212364 /nfs/dbraw/zinc/21/23/64/607212364.db2.gz GIVNHGVDXMBZGT-CYBMUJFWSA-N 0 1 390.407 2.128 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000823126357 607212993 /nfs/dbraw/zinc/21/29/93/607212993.db2.gz IZTJDTBCXBGISQ-INIZCTEOSA-N 0 1 380.456 2.286 20 0 GEADMN Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCC[C@@H](C)C1 ZINC000822352416 607216771 /nfs/dbraw/zinc/21/67/71/607216771.db2.gz ZCAKZRPKQOSHPN-QIIPPGSGSA-N 0 1 394.483 2.450 20 0 GEADMN FC(F)(F)c1ccc(-c2nn[nH]n2)cc1N1CC[C@H](CN2CCOCC2)C1 ZINC000822723656 607228575 /nfs/dbraw/zinc/22/85/75/607228575.db2.gz JUFPDWAZLJFHKS-GFCCVEGCSA-N 0 1 382.390 2.044 20 0 GEADMN CN(C)[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccs1 ZINC000821579569 607231409 /nfs/dbraw/zinc/23/14/09/607231409.db2.gz GTUNPSWDBJSIEC-NSHDSACASA-N 0 1 377.861 2.009 20 0 GEADMN C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877212 607795734 /nfs/dbraw/zinc/79/57/34/607795734.db2.gz WYRNCUFBUMXKNR-DOTOQJQBSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877212 607795735 /nfs/dbraw/zinc/79/57/35/607795735.db2.gz WYRNCUFBUMXKNR-DOTOQJQBSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877212 607795736 /nfs/dbraw/zinc/79/57/36/607795736.db2.gz WYRNCUFBUMXKNR-DOTOQJQBSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877212 607795737 /nfs/dbraw/zinc/79/57/37/607795737.db2.gz WYRNCUFBUMXKNR-DOTOQJQBSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877215 607795754 /nfs/dbraw/zinc/79/57/54/607795754.db2.gz WYRNCUFBUMXKNR-RDJZCZTQSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877215 607795755 /nfs/dbraw/zinc/79/57/55/607795755.db2.gz WYRNCUFBUMXKNR-RDJZCZTQSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877215 607795756 /nfs/dbraw/zinc/79/57/56/607795756.db2.gz WYRNCUFBUMXKNR-RDJZCZTQSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877215 607795757 /nfs/dbraw/zinc/79/57/57/607795757.db2.gz WYRNCUFBUMXKNR-RDJZCZTQSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824899900 607828863 /nfs/dbraw/zinc/82/88/63/607828863.db2.gz QAUJJTKLPBDESF-KEYYUXOJSA-N 0 1 375.498 2.293 20 0 GEADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826409980 607858428 /nfs/dbraw/zinc/85/84/28/607858428.db2.gz WTXYWQUYOUAURR-LJQANCHMSA-N 0 1 392.463 2.078 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC/C=C\c2ccccc2)c1-c1nnn[n-]1 ZINC000826077651 608020567 /nfs/dbraw/zinc/02/05/67/608020567.db2.gz PJFSBBMFHCOXMS-YHYXMXQVSA-N 0 1 380.456 2.174 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC000826077651 608020568 /nfs/dbraw/zinc/02/05/68/608020568.db2.gz PJFSBBMFHCOXMS-YHYXMXQVSA-N 0 1 380.456 2.174 20 0 GEADMN C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824776498 608037028 /nfs/dbraw/zinc/03/70/28/608037028.db2.gz BPBCXPYQDKKMCT-LBPRGKRZSA-N 0 1 393.455 2.453 20 0 GEADMN C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824776498 608037029 /nfs/dbraw/zinc/03/70/29/608037029.db2.gz BPBCXPYQDKKMCT-LBPRGKRZSA-N 0 1 393.455 2.453 20 0 GEADMN Cc1cccc(C)c1OCCC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826296880 608037568 /nfs/dbraw/zinc/03/75/68/608037568.db2.gz NEHIQVLWVTUMMM-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1cccc(C)c1OCCC[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826296880 608037569 /nfs/dbraw/zinc/03/75/69/608037569.db2.gz NEHIQVLWVTUMMM-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1cccc(C)c1OCCC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826296880 608037570 /nfs/dbraw/zinc/03/75/70/608037570.db2.gz NEHIQVLWVTUMMM-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1cccc(C)c1OCCC[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826296880 608037571 /nfs/dbraw/zinc/03/75/71/608037571.db2.gz NEHIQVLWVTUMMM-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)[nH]c2c1 ZINC000826293690 608074815 /nfs/dbraw/zinc/07/48/15/608074815.db2.gz YKUYHZWYKWOKCG-LBPRGKRZSA-N 0 1 376.424 2.399 20 0 GEADMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000825339253 608107530 /nfs/dbraw/zinc/10/75/30/608107530.db2.gz UBBXSGGHAAZVFM-UHFFFAOYSA-N 0 1 387.421 2.234 20 0 GEADMN NC(=O)[C@H](NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388898 608111344 /nfs/dbraw/zinc/11/13/44/608111344.db2.gz LNLXVYCPWQXTGY-MRXNPFEDSA-N 0 1 382.855 2.368 20 0 GEADMN COc1ccc(CNCc2cccnc2OCC(F)F)cc1-c1nn[nH]n1 ZINC000826202491 608113887 /nfs/dbraw/zinc/11/38/87/608113887.db2.gz BPKCKEABCDUENM-UHFFFAOYSA-N 0 1 376.367 2.204 20 0 GEADMN CC(C)c1cc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000824343124 608119395 /nfs/dbraw/zinc/11/93/95/608119395.db2.gz XTTDCTWEMADAMH-UHFFFAOYSA-N 0 1 395.467 2.326 20 0 GEADMN Cc1ccc([C@@H]2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826286212 608127721 /nfs/dbraw/zinc/12/77/21/608127721.db2.gz VUAVJCBZFNKTCL-LJQANCHMSA-N 0 1 376.464 2.281 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc(-c4nnn[n-]4)c3)C[C@H]21 ZINC000824109019 608129491 /nfs/dbraw/zinc/12/94/91/608129491.db2.gz MGXLTKSXOIYMRK-BZUAXINKSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnc(-c4nnn[n-]4)c3)C[C@H]21 ZINC000824109019 608129492 /nfs/dbraw/zinc/12/94/92/608129492.db2.gz MGXLTKSXOIYMRK-BZUAXINKSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc(-c4nn[n-]n4)c3)C[C@H]21 ZINC000824109019 608129493 /nfs/dbraw/zinc/12/94/93/608129493.db2.gz MGXLTKSXOIYMRK-BZUAXINKSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnc(-c4nn[n-]n4)c3)C[C@H]21 ZINC000824109019 608129494 /nfs/dbraw/zinc/12/94/94/608129494.db2.gz MGXLTKSXOIYMRK-BZUAXINKSA-N 0 1 399.499 2.387 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000824737537 608164212 /nfs/dbraw/zinc/16/42/12/608164212.db2.gz IBHIRGHDGIDWTR-LLVKDONJSA-N 0 1 376.380 2.058 20 0 GEADMN CCC[C@@H](C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[nH]n2)c1)N(C)C ZINC000825225805 608200874 /nfs/dbraw/zinc/20/08/74/608200874.db2.gz XTMCPCHKRISLNU-AWEZNQCLSA-N 0 1 375.433 2.104 20 0 GEADMN CN(C)C1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[nH]n2)C1 ZINC000825854452 608214383 /nfs/dbraw/zinc/21/43/83/608214383.db2.gz BFRYQGZSBXYJRK-UHFFFAOYSA-N 0 1 380.477 2.404 20 0 GEADMN O=C(COc1cccc(-c2nn[nH]n2)c1)OC[C@H]1CCCN1Cc1ccco1 ZINC000826418780 608249365 /nfs/dbraw/zinc/24/93/65/608249365.db2.gz WEABHQUEWNYUDA-OAHLLOKOSA-N 0 1 383.408 2.046 20 0 GEADMN c1c2c(nc(N3CCC(CCN4CCOCC4)CC3)c1-c1nn[nH]n1)CCCC2 ZINC000826511945 608280451 /nfs/dbraw/zinc/28/04/51/608280451.db2.gz KDUAINJWUVBACX-UHFFFAOYSA-N 0 1 397.527 2.079 20 0 GEADMN CCN1C[C@H](C)N(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C[C@@H]1C ZINC000825444197 608315134 /nfs/dbraw/zinc/31/51/34/608315134.db2.gz JWUFINLWZRMJPB-STQMWFEESA-N 0 1 383.456 2.114 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC3(C2)CCOCC3)c1-c1nn[nH]n1 ZINC000826332171 608315168 /nfs/dbraw/zinc/31/51/68/608315168.db2.gz LSRDUWJFTJFOBL-UHFFFAOYSA-N 0 1 379.468 2.363 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC3(C2)CCOCC3)c1-c1nnn[n-]1 ZINC000826332171 608315170 /nfs/dbraw/zinc/31/51/70/608315170.db2.gz LSRDUWJFTJFOBL-UHFFFAOYSA-N 0 1 379.468 2.363 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC3(C2)CCOCC3)c1-c1nnn[n-]1 ZINC000826332171 608315171 /nfs/dbraw/zinc/31/51/71/608315171.db2.gz LSRDUWJFTJFOBL-UHFFFAOYSA-N 0 1 379.468 2.363 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC3(C2)CCOCC3)c1-c1nn[n-]n1 ZINC000826332171 608315173 /nfs/dbraw/zinc/31/51/73/608315173.db2.gz LSRDUWJFTJFOBL-UHFFFAOYSA-N 0 1 379.468 2.363 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC3(C2)CCOCC3)c1-c1nn[n-]n1 ZINC000826332171 608315175 /nfs/dbraw/zinc/31/51/75/608315175.db2.gz LSRDUWJFTJFOBL-UHFFFAOYSA-N 0 1 379.468 2.363 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(N(C)c2ccc(C)nn2)CC1 ZINC000826168599 608358539 /nfs/dbraw/zinc/35/85/39/608358539.db2.gz SCDWYGPQJKKKLW-UHFFFAOYSA-N 0 1 394.483 2.075 20 0 GEADMN C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CCN1C[C@H](O)c1ccccc1 ZINC000824983555 608391524 /nfs/dbraw/zinc/39/15/24/608391524.db2.gz BNAYKZNKPKKEBA-BEFAXECRSA-N 0 1 396.470 2.246 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nnn[n-]5)nn4)CC[C@H]32)cc1 ZINC000826521382 608433967 /nfs/dbraw/zinc/43/39/67/608433967.db2.gz KDDHNZACEFTSEL-SJLPKXTDSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4ccc(-c5nnn[n-]5)nn4)CC[C@H]32)cc1 ZINC000826521382 608433969 /nfs/dbraw/zinc/43/39/69/608433969.db2.gz KDDHNZACEFTSEL-SJLPKXTDSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[n-]n5)nn4)CC[C@H]32)cc1 ZINC000826521382 608433970 /nfs/dbraw/zinc/43/39/70/608433970.db2.gz KDDHNZACEFTSEL-SJLPKXTDSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[n-]n5)nn4)CC[C@H]32)cc1 ZINC000826521382 608433972 /nfs/dbraw/zinc/43/39/72/608433972.db2.gz KDDHNZACEFTSEL-SJLPKXTDSA-N 0 1 376.468 2.148 20 0 GEADMN CCOc1ccccc1[C@H](C)NCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825654393 608438319 /nfs/dbraw/zinc/43/83/19/608438319.db2.gz ZVSIAPAYNCIQEJ-AWEZNQCLSA-N 0 1 380.452 2.232 20 0 GEADMN C[C@H](NCC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564809 608460894 /nfs/dbraw/zinc/46/08/94/608460894.db2.gz WAJHTCAUGOTYEL-VKJFTORMSA-N 0 1 386.500 2.229 20 0 GEADMN C[C@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563156 608461905 /nfs/dbraw/zinc/46/19/05/608461905.db2.gz MOKHIILNPDAPOE-ZDUSSCGKSA-N 0 1 394.435 2.317 20 0 GEADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826218788 608467017 /nfs/dbraw/zinc/46/70/17/608467017.db2.gz KVMXYJRIDOLDSC-ZIAGYGMSSA-N 0 1 380.452 2.403 20 0 GEADMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)n(C(C)(C)C)n1 ZINC000826270300 608467860 /nfs/dbraw/zinc/46/78/60/608467860.db2.gz UGSOUWRIXFIXSH-CYBMUJFWSA-N 0 1 382.472 2.416 20 0 GEADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530734 608468381 /nfs/dbraw/zinc/46/83/81/608468381.db2.gz MZFNMQNZKZZGOC-MNOVXSKESA-N 0 1 392.423 2.126 20 0 GEADMN CC[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825139758 608470091 /nfs/dbraw/zinc/47/00/91/608470091.db2.gz HUTRTGZDMFYCLC-MRXNPFEDSA-N 0 1 394.435 2.317 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(OCCO)c(OC)c1 ZINC000826183820 608470505 /nfs/dbraw/zinc/47/05/05/608470505.db2.gz BFCOYRAUYBSKGC-CYBMUJFWSA-N 0 1 399.451 2.106 20 0 GEADMN COc1ccc([C@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1OC ZINC000826187671 608472216 /nfs/dbraw/zinc/47/22/16/608472216.db2.gz BEFJGFJRKKDKCL-JTQLQIEISA-N 0 1 388.453 2.235 20 0 GEADMN Cc1nnc(SCCC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000826336616 608486779 /nfs/dbraw/zinc/48/67/79/608486779.db2.gz GCVIABJZGMNWHN-UHFFFAOYSA-N 0 1 396.480 2.091 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCCOC1CCCCC1 ZINC000826412148 608531716 /nfs/dbraw/zinc/53/17/16/608531716.db2.gz DAFONGVZVMPRJP-UHFFFAOYSA-N 0 1 398.511 2.301 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000826184010 608560920 /nfs/dbraw/zinc/56/09/20/608560920.db2.gz HYZPRBQMOYDDGN-ZDUSSCGKSA-N 0 1 376.424 2.307 20 0 GEADMN C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000824925230 608577974 /nfs/dbraw/zinc/57/79/74/608577974.db2.gz BVBPACIDRASLTI-ZIAGYGMSSA-N 0 1 394.483 2.405 20 0 GEADMN C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824925230 608577975 /nfs/dbraw/zinc/57/79/75/608577975.db2.gz BVBPACIDRASLTI-ZIAGYGMSSA-N 0 1 394.483 2.405 20 0 GEADMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824530066 608579063 /nfs/dbraw/zinc/57/90/63/608579063.db2.gz JHHOOXRBHXRLRO-RTPGUIODSA-N 0 1 398.492 2.282 20 0 GEADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccc([S@](C)=O)cc1 ZINC000824529796 608579217 /nfs/dbraw/zinc/57/92/17/608579217.db2.gz HKWKNZAUBTVEFY-ZBYRNGAHSA-N 0 1 398.492 2.282 20 0 GEADMN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824385392 608846033 /nfs/dbraw/zinc/84/60/33/608846033.db2.gz RXXHDQMEMDSZLZ-ACJLOTCBSA-N 0 1 375.436 2.338 20 0 GEADMN O=C(Cc1csc(NC(=O)c2cccs2)n1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000446372083 649979038 /nfs/dbraw/zinc/97/90/38/649979038.db2.gz YHXLHOGJBXFKTM-TXEJJXNPSA-N 0 1 376.507 2.352 20 0 GEADMN COc1ccccc1CCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826220019 609138323 /nfs/dbraw/zinc/13/83/23/609138323.db2.gz ZGYZOHSVTPZPIM-UHFFFAOYSA-N 0 1 379.468 2.025 20 0 GEADMN Cc1ncc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826329550 609169479 /nfs/dbraw/zinc/16/94/79/609169479.db2.gz IBAJPJLMAGVXNU-IAQYHMDHSA-N 0 1 383.481 2.478 20 0 GEADMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824662591 609246919 /nfs/dbraw/zinc/24/69/19/609246919.db2.gz NRCFVOAIMNZHSN-IFXJQAMLSA-N 0 1 391.479 2.490 20 0 GEADMN Cc1cc(C2CCN(C(=O)CSc3ccc(-c4nn[nH]n4)cc3)CC2)n[nH]1 ZINC000826265474 609295525 /nfs/dbraw/zinc/29/55/25/609295525.db2.gz AIKQXLAAHKFQDI-UHFFFAOYSA-N 0 1 383.481 2.397 20 0 GEADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000824906940 609312291 /nfs/dbraw/zinc/31/22/91/609312291.db2.gz FPEHWCBOAZVCEL-RYUDHWBXSA-N 0 1 384.419 2.003 20 0 GEADMN CCNC(=O)COc1cccc(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825471647 609328035 /nfs/dbraw/zinc/32/80/35/609328035.db2.gz ZTXWOMZGEPYPPB-CYBMUJFWSA-N 0 1 398.442 2.372 20 0 GEADMN CN(C)c1ncccc1CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825887512 609336925 /nfs/dbraw/zinc/33/69/25/609336925.db2.gz IAERTHXMGROAFW-UHFFFAOYSA-N 0 1 389.467 2.018 20 0 GEADMN OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826509396 609386867 /nfs/dbraw/zinc/38/68/67/609386867.db2.gz UPAJASVEUKZITD-OAHLLOKOSA-N 0 1 399.886 2.484 20 0 GEADMN OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826509396 609386869 /nfs/dbraw/zinc/38/68/69/609386869.db2.gz UPAJASVEUKZITD-OAHLLOKOSA-N 0 1 399.886 2.484 20 0 GEADMN OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826509396 609386871 /nfs/dbraw/zinc/38/68/71/609386871.db2.gz UPAJASVEUKZITD-OAHLLOKOSA-N 0 1 399.886 2.484 20 0 GEADMN OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826509396 609386873 /nfs/dbraw/zinc/38/68/73/609386873.db2.gz UPAJASVEUKZITD-OAHLLOKOSA-N 0 1 399.886 2.484 20 0 GEADMN O=C1[C@@H](NCc2ccc(F)c(F)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476240 609415418 /nfs/dbraw/zinc/41/54/18/609415418.db2.gz DCVYSMWQLHFDIV-KRWDZBQOSA-N 0 1 384.390 2.430 20 0 GEADMN CCC1(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000825158912 609420611 /nfs/dbraw/zinc/42/06/11/609420611.db2.gz DPJBMOKCJKQKKH-UHFFFAOYSA-N 0 1 398.511 2.108 20 0 GEADMN COc1cc(SC)ccc1NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000446643934 649985527 /nfs/dbraw/zinc/98/55/27/649985527.db2.gz JOTDGXSVXMEVLH-UHFFFAOYSA-N 0 1 377.451 2.194 20 0 GEADMN O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000446661116 649985952 /nfs/dbraw/zinc/98/59/52/649985952.db2.gz DYTVMVTYNYCZNI-CYBMUJFWSA-N 0 1 392.297 2.229 20 0 GEADMN CS[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@@H]1N(C)C ZINC000447868397 650009959 /nfs/dbraw/zinc/00/99/59/650009959.db2.gz JSGGAXOYZIBXIH-AAEUAGOBSA-N 0 1 384.445 2.093 20 0 GEADMN CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(Br)cn1 ZINC000447941860 650011634 /nfs/dbraw/zinc/01/16/34/650011634.db2.gz LKQZMYQRHRSIEV-GFCCVEGCSA-N 0 1 376.320 2.243 20 0 GEADMN O=C(CN[C@H](CO)[C@H]1CCCO1)Nc1ccc(Br)cc1Cl ZINC000447916620 650010710 /nfs/dbraw/zinc/01/07/10/650010710.db2.gz PIOLIACPYCJKJK-CHWSQXEVSA-N 0 1 377.666 2.171 20 0 GEADMN CCNC(=O)NC(=O)[C@@H](C)N(CC)CCOc1ccc(Br)cc1 ZINC000448024363 650013054 /nfs/dbraw/zinc/01/30/54/650013054.db2.gz XZKDOBFAPHNZAH-GFCCVEGCSA-N 0 1 386.290 2.384 20 0 GEADMN O=S1(=O)CCCC[C@@H]1CNCc1ccc(I)cc1 ZINC000449236728 650035193 /nfs/dbraw/zinc/03/51/93/650035193.db2.gz ZFJWOZOQUHEDQV-CYBMUJFWSA-N 0 1 379.263 2.348 20 0 GEADMN CS(=O)(=O)N1CCCC[C@H]1CNCc1cccc(F)c1Br ZINC000449321196 650038242 /nfs/dbraw/zinc/03/82/42/650038242.db2.gz LDIJIBIXUUYRML-LBPRGKRZSA-N 0 1 379.295 2.492 20 0 GEADMN COc1nccnc1CNC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449682165 650045327 /nfs/dbraw/zinc/04/53/27/650045327.db2.gz LHLXWHRGJCTUBG-LBPRGKRZSA-N 0 1 384.249 2.328 20 0 GEADMN COC[C@]1(CO)CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000449699418 650046436 /nfs/dbraw/zinc/04/64/36/650046436.db2.gz OYTAKTLCFDCYNB-QGZVFWFLSA-N 0 1 380.286 2.466 20 0 GEADMN CC[C@H]1CN(C(=O)Cc2sccc2Br)CCN1C[C@@H](C)O ZINC000450029833 650058699 /nfs/dbraw/zinc/05/86/99/650058699.db2.gz WZBGSDHVYAXHHO-NEPJUHHUSA-N 0 1 375.332 2.357 20 0 GEADMN C[C@H](O)CN1CCN(C(=O)CCc2cccc(F)c2Br)C[C@H]1C ZINC000449959607 650056818 /nfs/dbraw/zinc/05/68/18/650056818.db2.gz MREKTRONAAGBQH-OLZOCXBDSA-N 0 1 387.293 2.434 20 0 GEADMN Cc1ccc(Br)cc1CC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000450055251 650059156 /nfs/dbraw/zinc/05/91/56/650059156.db2.gz CBEXZJTWQSQGIS-OAHLLOKOSA-N 0 1 381.314 2.481 20 0 GEADMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc(I)cc1F ZINC000450177284 650061658 /nfs/dbraw/zinc/06/16/58/650061658.db2.gz WIDOSYWZJDZRKD-VIFPVBQESA-N 0 1 385.180 2.441 20 0 GEADMN O=c1[n-]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898210 650074871 /nfs/dbraw/zinc/07/48/71/650074871.db2.gz BDHRTEZSUDKHIT-WCQYABFASA-N 0 1 398.257 2.157 20 0 GEADMN COC(=O)C1(CN(CCNC(C)=O)Cc2ccc(Br)s2)CC1 ZINC000450924662 650075858 /nfs/dbraw/zinc/07/58/58/650075858.db2.gz VOIKHKOOHSOYEI-UHFFFAOYSA-N 0 1 389.315 2.402 20 0 GEADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCC[N@H+]1CCCC[C@H]1C ZINC000451011216 650079914 /nfs/dbraw/zinc/07/99/14/650079914.db2.gz XAKZZSKBKPVNKU-CHWSQXEVSA-N 0 1 388.452 2.054 20 0 GEADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1 ZINC000451022871 650080780 /nfs/dbraw/zinc/08/07/80/650080780.db2.gz JHCHYOGTDQMOLV-UHFFFAOYSA-N 0 1 376.360 2.371 20 0 GEADMN COC(=O)c1ccc(S(C)(=O)=O)cc1NS(=O)(=O)CCC1CCCC1 ZINC000451029639 650081406 /nfs/dbraw/zinc/08/14/06/650081406.db2.gz VNUCIOVOHWHOBJ-UHFFFAOYSA-N 0 1 389.495 2.199 20 0 GEADMN CCc1cccc(S(=O)(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)c1 ZINC000451094673 650085428 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COc1c(Cl)cc(NC(=O)NCCCN2CCC[C@H]2C(N)=O)cc1Cl ZINC000626347448 652389934 /nfs/dbraw/zinc/38/99/34/652389934.db2.gz VURNIVNFRZJPHG-ZDUSSCGKSA-N 0 1 389.283 2.463 20 0 GEADMN CC(C)Oc1ccc(Br)cc1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000626450505 652392793 /nfs/dbraw/zinc/39/27/93/652392793.db2.gz NUCGPJSNQNSUEN-CYBMUJFWSA-N 0 1 386.290 2.424 20 0 GEADMN CCC(CC)[C@H](CNC(=O)NC[C@@H]1CSCCS1)N1CCOCC1 ZINC000752869866 652395086 /nfs/dbraw/zinc/39/50/86/652395086.db2.gz OWCZMFYJZSYZSM-CVEARBPZSA-N 0 1 375.604 2.271 20 0 GEADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC2(COC(=O)N2)CC1 ZINC000753168576 652401075 /nfs/dbraw/zinc/40/10/75/652401075.db2.gz FTLPVQMWWOQQPB-UHFFFAOYSA-N 0 1 379.214 2.040 20 0 GEADMN CCN(CC)CCS(=O)(=O)NCCOc1ccc(Br)cc1 ZINC000581160752 652404174 /nfs/dbraw/zinc/40/41/74/652404174.db2.gz UDGYDNMMGDLMNN-UHFFFAOYSA-N 0 1 379.320 2.089 20 0 GEADMN CO[C@@H]1C[C@H](NCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1(C)C ZINC000753372193 652405547 /nfs/dbraw/zinc/40/55/47/652405547.db2.gz 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652420668 /nfs/dbraw/zinc/42/06/68/652420668.db2.gz DAWQBFJKEIXQBD-KBPBESRZSA-N 0 1 392.301 2.240 20 0 GEADMN O=C(c1c(F)cc(Br)cc1F)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627260518 652421199 /nfs/dbraw/zinc/42/11/99/652421199.db2.gz JUPIYQDUXQSJJG-MNOVXSKESA-N 0 1 375.213 2.008 20 0 GEADMN CCN1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C[C@H]1C ZINC000754224102 652430250 /nfs/dbraw/zinc/43/02/50/652430250.db2.gz KXCXVLMBJQNLLA-GFCCVEGCSA-N 0 1 379.917 2.440 20 0 GEADMN CCc1noc2ncc(S(=O)(=O)Nc3nn(C)cc3Br)cc12 ZINC000582003180 652431308 /nfs/dbraw/zinc/43/13/08/652431308.db2.gz YJDUZLHROKIWSW-UHFFFAOYSA-N 0 1 386.231 2.082 20 0 GEADMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661609253 652435368 /nfs/dbraw/zinc/43/53/68/652435368.db2.gz OSQPPAUUEDHMJG-JMSVASOKSA-N 0 1 380.286 2.377 20 0 GEADMN CN(C)C(=O)N(C)[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662016405 652445344 /nfs/dbraw/zinc/44/53/44/652445344.db2.gz JFEUFNRWURZBNL-ZIAGYGMSSA-N 0 1 390.311 2.421 20 0 GEADMN CN(C)C(=O)N(C)[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662016403 652445522 /nfs/dbraw/zinc/44/55/22/652445522.db2.gz JFEUFNRWURZBNL-KGLIPLIRSA-N 0 1 390.311 2.421 20 0 GEADMN CC(C)(CO)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)nc1)c1cccs1 ZINC000628032534 652446496 /nfs/dbraw/zinc/44/64/96/652446496.db2.gz CRBFRMOOYUFERM-CQSZACIVSA-N 0 1 383.495 2.004 20 0 GEADMN Cc1cc(F)ccc1OS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000754813927 652447925 /nfs/dbraw/zinc/44/79/25/652447925.db2.gz SDTHWYKRTNXGJS-UHFFFAOYSA-N 0 1 377.390 2.412 20 0 GEADMN CCc1nc(COC(=O)c2ccc(F)c(I)c2)n[nH]1 ZINC000754847449 652449274 /nfs/dbraw/zinc/44/92/74/652449274.db2.gz XIMKYOMMNATXRT-UHFFFAOYSA-N 0 1 375.141 2.468 20 0 GEADMN CCc1nc(COC(=O)c2ccc(Br)cc2-n2cncn2)n[nH]1 ZINC000754868925 652449625 /nfs/dbraw/zinc/44/96/25/652449625.db2.gz YRTBHOJJQKPZCI-UHFFFAOYSA-N 0 1 377.202 2.067 20 0 GEADMN CN(C)Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)C)cc1F ZINC000754869898 652449795 /nfs/dbraw/zinc/44/97/95/652449795.db2.gz 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ZINC000662382000 652458349 /nfs/dbraw/zinc/45/83/49/652458349.db2.gz BBKCOHIRTNBMIV-ZBFVHZJFSA-N 0 1 385.917 2.402 20 0 GEADMN CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(I)c2[O-])C1 ZINC000755198931 652460238 /nfs/dbraw/zinc/46/02/38/652460238.db2.gz RFJQUWCQQPXBLT-NSHDSACASA-N 0 1 388.249 2.459 20 0 GEADMN COc1cccc(CNC(=O)c2cccc(I)c2O)n1 ZINC000755213543 652460602 /nfs/dbraw/zinc/46/06/02/652460602.db2.gz PIYFQHHUVUNUQX-UHFFFAOYSA-N 0 1 384.173 2.330 20 0 GEADMN Cc1noc(CCCNC(=O)c2cccc(I)c2O)n1 ZINC000755235828 652461032 /nfs/dbraw/zinc/46/10/32/652461032.db2.gz OQXYMVYAWDQLQU-UHFFFAOYSA-N 0 1 387.177 2.051 20 0 GEADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@@H]1CCCc2sccc21 ZINC000582816906 652462898 /nfs/dbraw/zinc/46/28/98/652462898.db2.gz NDTITGIBPVATKJ-CYBMUJFWSA-N 0 1 386.445 2.498 20 0 GEADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000628584496 652463870 /nfs/dbraw/zinc/46/38/70/652463870.db2.gz DSXRDSVRBMSNCI-HNNXBMFYSA-N 0 1 393.285 2.000 20 0 GEADMN Cc1ccc(S(=O)(=O)N(C)Cc2cnc[nH]2)cc1I ZINC000582915515 652466756 /nfs/dbraw/zinc/46/67/56/652466756.db2.gz GJCIWCIPWHIJNK-UHFFFAOYSA-N 0 1 391.234 2.143 20 0 GEADMN O=C(c1cccc(I)c1O)N1CCC[C@H](CCO)C1 ZINC000755530615 652468348 /nfs/dbraw/zinc/46/83/48/652468348.db2.gz HLPUCEZSUJYPEK-SNVBAGLBSA-N 0 1 375.206 2.231 20 0 GEADMN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)C1(O)CNC1 ZINC000662622731 652469615 /nfs/dbraw/zinc/46/96/15/652469615.db2.gz DSTMIRJQRDPQPN-JTQLQIEISA-N 0 1 396.310 2.393 20 0 GEADMN CC(C)COC(=O)[C@H](C)NC(=O)c1cccc(I)c1O ZINC000755659730 652471619 /nfs/dbraw/zinc/47/16/19/652471619.db2.gz YEETXDRIUPJFHZ-VIFPVBQESA-N 0 1 391.205 2.314 20 0 GEADMN CN(C)C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968859 652476821 /nfs/dbraw/zinc/47/68/21/652476821.db2.gz UDBIBZIIDIZGGT-AWEZNQCLSA-N 0 1 386.279 2.251 20 0 GEADMN CCC[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)S(N)(=O)=O ZINC000628969652 652476919 /nfs/dbraw/zinc/47/69/19/652476919.db2.gz XCYIWAIYKJCKQP-ZIAGYGMSSA-N 0 1 396.340 2.170 20 0 GEADMN CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cn1 ZINC000628985586 652477129 /nfs/dbraw/zinc/47/71/29/652477129.db2.gz RTEQBYVQXNKLQD-UHOFOFEASA-N 0 1 377.853 2.175 20 0 GEADMN C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(I)c1O ZINC000755884890 652479921 /nfs/dbraw/zinc/47/99/21/652479921.db2.gz JYIPLVRKPCIEDO-CABZTGNLSA-N 0 1 375.206 2.372 20 0 GEADMN NC(=O)C1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000583292341 652480334 /nfs/dbraw/zinc/48/03/34/652480334.db2.gz FCJGEWDMQBQCME-UHFFFAOYSA-N 0 1 378.274 2.164 20 0 GEADMN Cc1ccncc1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 ZINC000583642285 652492755 /nfs/dbraw/zinc/49/27/55/652492755.db2.gz VIIKPZZPKRGIQI-UHFFFAOYSA-N 0 1 383.495 2.220 20 0 GEADMN O[C@H](CNCc1ccc(Br)c(F)c1F)COC1CCOCC1 ZINC000629597067 652494608 /nfs/dbraw/zinc/49/46/08/652494608.db2.gz FDTVKCBDELMCJJ-LLVKDONJSA-N 0 1 380.229 2.373 20 0 GEADMN CC(=O)NCC[N@H+](Cc1cc(Br)cc(F)c1F)[C@H](C)C(=O)[O-] ZINC000583816488 652498390 /nfs/dbraw/zinc/49/83/90/652498390.db2.gz ZAXRYJDMENGJPP-MRVPVSSYSA-N 0 1 379.201 2.139 20 0 GEADMN CC(=O)NCC[N@@H+](Cc1cc(Br)cc(F)c1F)[C@H](C)C(=O)[O-] ZINC000583816488 652498391 /nfs/dbraw/zinc/49/83/91/652498391.db2.gz ZAXRYJDMENGJPP-MRVPVSSYSA-N 0 1 379.201 2.139 20 0 GEADMN CN(Cc1ccccc1Br)C(=O)CCNC(=O)CN(C)C1CCC1 ZINC000629960179 652500087 /nfs/dbraw/zinc/50/00/87/652500087.db2.gz XXSUSILQCZXKMI-UHFFFAOYSA-N 0 1 396.329 2.398 20 0 GEADMN CCS(=O)(=O)N1CCC([N@@H+](CC(=O)[O-])Cc2ccc(F)c(Cl)c2)CC1 ZINC000584175787 652512120 /nfs/dbraw/zinc/51/21/20/652512120.db2.gz LOMIKDPFYGCKOM-UHFFFAOYSA-N 0 1 392.880 2.180 20 0 GEADMN O=C(c1c(F)cncc1Br)N1CCC(CN2CCOCC2)CC1 ZINC000630755212 652514684 /nfs/dbraw/zinc/51/46/84/652514684.db2.gz WEZUUWRBRHCGFE-UHFFFAOYSA-N 0 1 386.265 2.168 20 0 GEADMN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N(C)CC1CN(C)C1 ZINC000663882666 652514688 /nfs/dbraw/zinc/51/46/88/652514688.db2.gz LZMJJGZFXHFYBZ-UHFFFAOYSA-N 0 1 397.317 2.289 20 0 GEADMN CN(CCN1CCN(Cc2ccccc2)CC1)c1cc(Br)cnn1 ZINC000663904552 652515812 /nfs/dbraw/zinc/51/58/12/652515812.db2.gz NLXIJANOHYODQH-UHFFFAOYSA-N 0 1 390.329 2.493 20 0 GEADMN COCCc1ncc(CNCCNS(=O)(=O)c2cc(C)sc2C)s1 ZINC000631097992 652519876 /nfs/dbraw/zinc/51/98/76/652519876.db2.gz JRHWSCIQSBAMSU-UHFFFAOYSA-N 0 1 389.568 2.078 20 0 GEADMN COCCO[C@H]1COCC[C@@H]1NCc1ncc(Br)cc1Cl ZINC000631114339 652520555 /nfs/dbraw/zinc/52/05/55/652520555.db2.gz BTLRKOFGVLMRHF-JSGCOSHPSA-N 0 1 379.682 2.408 20 0 GEADMN COCc1nc(CNC(=O)NCC2(c3cccc(Br)c3)CC2)n[nH]1 ZINC000664133763 652520860 /nfs/dbraw/zinc/52/08/60/652520860.db2.gz CMVUNAZYWPIMQL-UHFFFAOYSA-N 0 1 394.273 2.245 20 0 GEADMN COCc1nnc(CNC(=O)NCC2(c3cccc(Br)c3)CC2)[nH]1 ZINC000664133763 652520862 /nfs/dbraw/zinc/52/08/62/652520862.db2.gz CMVUNAZYWPIMQL-UHFFFAOYSA-N 0 1 394.273 2.245 20 0 GEADMN O=C(/C=C\c1ccnc(Cl)c1)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000757752017 652521819 /nfs/dbraw/zinc/52/18/19/652521819.db2.gz DIANIYYYFKSSER-WAYWQWQTSA-N 0 1 377.809 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C[NH+](C)CCOc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736771410 598963856 /nfs/dbraw/zinc/96/38/56/598963856.db2.gz KIPDVQFLAHAYLI-UHFFFAOYSA-N 0 1 390.451 2.362 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000737032132 598984858 /nfs/dbraw/zinc/98/48/58/598984858.db2.gz DPBXKWIZUXFPAT-FQEVSTJZSA-N 0 1 395.463 2.500 20 0 GEADMN CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC000736565746 599008091 /nfs/dbraw/zinc/00/80/91/599008091.db2.gz PLUREDHMXXLTCX-VXGBXAGGSA-N 0 1 398.920 2.013 20 0 GEADMN CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC000736565746 599008093 /nfs/dbraw/zinc/00/80/93/599008093.db2.gz PLUREDHMXXLTCX-VXGBXAGGSA-N 0 1 398.920 2.013 20 0 GEADMN C[C@@H]1CN(CCCNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736285172 599041392 /nfs/dbraw/zinc/04/13/92/599041392.db2.gz ISYQAAWYOTVWPP-PHIMTYICSA-N 0 1 385.394 2.192 20 0 GEADMN CCCn1cc(CN2CCCN(c3nc(C)cc(C)c3-c3nn[nH]n3)CC2)cn1 ZINC000736503671 599043453 /nfs/dbraw/zinc/04/34/53/599043453.db2.gz ZONGAWBPTILEBP-UHFFFAOYSA-N 0 1 395.515 2.197 20 0 GEADMN CCOCCC[N@@H+]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC000736617661 599063223 /nfs/dbraw/zinc/06/32/23/599063223.db2.gz ZVMKFVJOWPNKDG-OCCSQVGLSA-N 0 1 379.896 2.464 20 0 GEADMN CCOCCC[N@H+]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC000736617661 599063227 /nfs/dbraw/zinc/06/32/27/599063227.db2.gz ZVMKFVJOWPNKDG-OCCSQVGLSA-N 0 1 379.896 2.464 20 0 GEADMN CCOCCC[N@@H+]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC000736617661 599063228 /nfs/dbraw/zinc/06/32/28/599063228.db2.gz ZVMKFVJOWPNKDG-OCCSQVGLSA-N 0 1 379.896 2.464 20 0 GEADMN CCOCCC[N@H+]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC000736617661 599063232 /nfs/dbraw/zinc/06/32/32/599063232.db2.gz ZVMKFVJOWPNKDG-OCCSQVGLSA-N 0 1 379.896 2.464 20 0 GEADMN Cc1csc([C@H]2CCCN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737455751 599072913 /nfs/dbraw/zinc/07/29/13/599072913.db2.gz WTBFPCYSJCKTJI-GJZGRUSLSA-N 0 1 383.481 2.038 20 0 GEADMN C[C@@H]1CCC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000736244662 599100115 /nfs/dbraw/zinc/10/01/15/599100115.db2.gz LQQQFLJCPLHFRS-TZMCWYRMSA-N 0 1 385.472 2.207 20 0 GEADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCN2CCCC[C@@H]2C1 ZINC000819866573 599103465 /nfs/dbraw/zinc/10/34/65/599103465.db2.gz OBGDXKWHOJKQOP-TZMCWYRMSA-N 0 1 389.891 2.017 20 0 GEADMN CN(C)Cc1cc(CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000736771108 599106279 /nfs/dbraw/zinc/10/62/79/599106279.db2.gz HYDOWBLCFWFCIJ-UHFFFAOYSA-N 0 1 383.431 2.067 20 0 GEADMN c1cc2ncnc(N3CCN(Cc4ccccc4-c4nn[nH]n4)CC3)c2s1 ZINC000738422680 599139812 /nfs/dbraw/zinc/13/98/12/599139812.db2.gz KODBYKHADCGZBV-UHFFFAOYSA-N 0 1 378.465 2.194 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000533202804 597080000 /nfs/dbraw/zinc/08/00/00/597080000.db2.gz LSBLZCPPHMGNNY-LBPRGKRZSA-N 0 1 377.832 2.046 20 0 GEADMN C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000533203378 597080012 /nfs/dbraw/zinc/08/00/12/597080012.db2.gz ADEKCUMWOZNIJZ-SOUVJXGZSA-N 0 1 376.453 2.210 20 0 GEADMN CCOc1cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)nc2nc(C(F)(F)F)nn21 ZINC000818236450 597254874 /nfs/dbraw/zinc/25/48/74/597254874.db2.gz FTZCVISZKBSIJZ-SNVBAGLBSA-N 0 1 387.362 2.229 20 0 GEADMN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CCOC2(CCCCC2)C1 ZINC000737523921 599251789 /nfs/dbraw/zinc/25/17/89/599251789.db2.gz LPPYCPCLHHMVKQ-UHFFFAOYSA-N 0 1 394.483 2.426 20 0 GEADMN CC(C)(CNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)N1CCOCC1 ZINC000735671563 599256049 /nfs/dbraw/zinc/25/60/49/599256049.db2.gz ZORXVPIGMAAUHS-UHFFFAOYSA-N 0 1 387.875 2.013 20 0 GEADMN O=C([O-])Cc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000819618478 597340974 /nfs/dbraw/zinc/34/09/74/597340974.db2.gz YBSVSNDQNVPJDT-UHFFFAOYSA-N 0 1 383.448 2.468 20 0 GEADMN C[C@]1(C(=O)OC[C@H]2CCC[N@@H+]2CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000818075899 597455405 /nfs/dbraw/zinc/45/54/05/597455405.db2.gz VBDCJQWAJRXHSQ-UTKZUKDTSA-N 0 1 388.464 2.021 20 0 GEADMN C[C@]1(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000818075899 597455408 /nfs/dbraw/zinc/45/54/08/597455408.db2.gz VBDCJQWAJRXHSQ-UTKZUKDTSA-N 0 1 388.464 2.021 20 0 GEADMN O=C([O-])C[N@@H+]1CCC[C@H]1COC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000819521179 597456633 /nfs/dbraw/zinc/45/66/33/597456633.db2.gz IXTCWXIMRAXXJW-LBPRGKRZSA-N 0 1 390.417 2.245 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000819521179 597456637 /nfs/dbraw/zinc/45/66/37/597456637.db2.gz IXTCWXIMRAXXJW-LBPRGKRZSA-N 0 1 390.417 2.245 20 0 GEADMN O=C([O-])[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000566358006 597531483 /nfs/dbraw/zinc/53/14/83/597531483.db2.gz QGERBYIUJFTJRI-ONGXEEELSA-N 0 1 378.650 2.249 20 0 GEADMN Cc1nc(COC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)n[nH]1 ZINC000822444430 607319595 /nfs/dbraw/zinc/31/95/95/607319595.db2.gz QQKPFEJXTPXMHC-UHFFFAOYSA-N 0 1 377.364 2.443 20 0 GEADMN CN(C)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])c(Cl)c1 ZINC000820530636 598062075 /nfs/dbraw/zinc/06/20/75/598062075.db2.gz XXFZHZWGMFCVSC-LBPRGKRZSA-N 0 1 383.832 2.139 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000821531189 598063465 /nfs/dbraw/zinc/06/34/65/598063465.db2.gz JTVPAYWRCCZTKI-NVXWUHKLSA-N 0 1 389.452 2.023 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000821531032 598065868 /nfs/dbraw/zinc/06/58/68/598065868.db2.gz JHZBATROWBVWLI-MRXNPFEDSA-N 0 1 381.856 2.480 20 0 GEADMN CCOC(=O)c1sc2nc(C[NH+]3CCC(C(=O)[O-])CC3)nc(N)c2c1C ZINC000820374767 598161707 /nfs/dbraw/zinc/16/17/07/598161707.db2.gz XRXYXLUDDOFDGP-UHFFFAOYSA-N 0 1 378.454 2.055 20 0 GEADMN CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000635530171 598170685 /nfs/dbraw/zinc/17/06/85/598170685.db2.gz RRBJPYCFOSYQOO-ZWKOTPCHSA-N 0 1 382.549 2.220 20 0 GEADMN CCn1cc(C[N@@H+]2CCCN(C(=O)NCc3cccc(C(=O)[O-])c3)CC2)cn1 ZINC000635525792 598184280 /nfs/dbraw/zinc/18/42/80/598184280.db2.gz WPPRIOXKFOMBQO-UHFFFAOYSA-N 0 1 385.468 2.019 20 0 GEADMN CCn1cc(C[N@H+]2CCCN(C(=O)NCc3cccc(C(=O)[O-])c3)CC2)cn1 ZINC000635525792 598184281 /nfs/dbraw/zinc/18/42/81/598184281.db2.gz WPPRIOXKFOMBQO-UHFFFAOYSA-N 0 1 385.468 2.019 20 0 GEADMN CCCCN(CCCC)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736456467 598232851 /nfs/dbraw/zinc/23/28/51/598232851.db2.gz IOMPGUQMLNUMJQ-HXUWFJFHSA-N 0 1 399.499 2.493 20 0 GEADMN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736908619 598250024 /nfs/dbraw/zinc/25/00/24/598250024.db2.gz HBXCISNCTBRLNA-KMFMINBZSA-N 0 1 380.452 2.426 20 0 GEADMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(NC(C)=O)c1 ZINC000737001587 598250047 /nfs/dbraw/zinc/25/00/47/598250047.db2.gz CNUFDKIJNGNQHZ-UHFFFAOYSA-N 0 1 380.452 2.474 20 0 GEADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCCN1Cc1ccccc1 ZINC000738099879 598301125 /nfs/dbraw/zinc/30/11/25/598301125.db2.gz JPRXJPDWPBGETF-GOSISDBHSA-N 0 1 380.427 2.287 20 0 GEADMN CCCCc1c(C)nc2nc(Sc3nccnc3-c3nn[nH]n3)nn2c1C ZINC000736464194 598346807 /nfs/dbraw/zinc/34/68/07/598346807.db2.gz VWJDWMFPSFAIBS-UHFFFAOYSA-N 0 1 382.457 2.205 20 0 GEADMN C[C@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C[C@H](O)c1ccccc1 ZINC000736288109 598365836 /nfs/dbraw/zinc/36/58/36/598365836.db2.gz QTYGVBKQGJRHBM-YWZLYKJASA-N 0 1 396.470 2.246 20 0 GEADMN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737510747 598368441 /nfs/dbraw/zinc/36/84/41/598368441.db2.gz NABFENKVJFJDPX-WMLDXEAASA-N 0 1 394.483 2.381 20 0 GEADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCc2ccc(O)cc2CC1 ZINC000735564439 598374088 /nfs/dbraw/zinc/37/40/88/598374088.db2.gz WONLGVRSPXTJSB-ZDUSSCGKSA-N 0 1 378.436 2.000 20 0 GEADMN CC(C)N(CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@@H](C)O ZINC000736149068 598415685 /nfs/dbraw/zinc/41/56/85/598415685.db2.gz RGGUEHZGJKFCCB-GFCCVEGCSA-N 0 1 392.529 2.227 20 0 GEADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)Nc1cnn(-c2ccncc2)c1 ZINC000737932867 598418891 /nfs/dbraw/zinc/41/88/91/598418891.db2.gz ROAVFRJLNFIJHU-UHFFFAOYSA-N 0 1 392.448 2.319 20 0 GEADMN O[C@H](CNCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C(F)(F)F ZINC000738382643 598562783 /nfs/dbraw/zinc/56/27/83/598562783.db2.gz MRZMYQXYYSPJKG-MRXNPFEDSA-N 0 1 393.369 2.459 20 0 GEADMN CC(C)(C)/C=C/C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735592577 598625021 /nfs/dbraw/zinc/62/50/21/598625021.db2.gz BNEIHOIGQTXOSV-VOTSOKGWSA-N 0 1 397.439 2.366 20 0 GEADMN CCN1CCCN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736569448 598689497 /nfs/dbraw/zinc/68/94/97/598689497.db2.gz HISCMYHTCBMNRE-UHFFFAOYSA-N 0 1 396.451 2.207 20 0 GEADMN O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1sccc1-c1nn[n-]n1 ZINC000738110910 598697784 /nfs/dbraw/zinc/69/77/84/598697784.db2.gz WMUKLJWXQGNXDO-UHFFFAOYSA-N 0 1 398.492 2.333 20 0 GEADMN CC[C@@H]1CN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H](C)O1 ZINC000736407404 598706388 /nfs/dbraw/zinc/70/63/88/598706388.db2.gz GSTAVSQAWJLCIY-DGCLKSJQSA-N 0 1 378.864 2.348 20 0 GEADMN O=C(CCn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1cccc(F)c1 ZINC000737860784 598720031 /nfs/dbraw/zinc/72/00/31/598720031.db2.gz VFXAPAOBDBOYSE-UHFFFAOYSA-N 0 1 378.367 2.350 20 0 GEADMN CC(=O)c1ccccc1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000735505757 598720778 /nfs/dbraw/zinc/72/07/78/598720778.db2.gz WKXXFAXVBSDPEF-UHFFFAOYSA-N 0 1 388.387 2.023 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(C[C@H]2CCCO2)c2ccc(Br)cc12 ZINC000738371429 598723809 /nfs/dbraw/zinc/72/38/09/598723809.db2.gz KAZXOKIUTLPWSU-SNVBAGLBSA-N 0 1 376.214 2.123 20 0 GEADMN CC(C)N(C(=O)CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000735850428 598766443 /nfs/dbraw/zinc/76/64/43/598766443.db2.gz DVYRLJHVJPTODA-UHFFFAOYSA-N 0 1 386.500 2.355 20 0 GEADMN CCc1cc(CNC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)n[nH]1 ZINC000736675880 598768814 /nfs/dbraw/zinc/76/88/14/598768814.db2.gz MMWFIHNOJNUQLW-UHFFFAOYSA-N 0 1 393.407 2.254 20 0 GEADMN CCC[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736418507 598810039 /nfs/dbraw/zinc/81/00/39/598810039.db2.gz FOEUGNDYLJFGFO-LBPRGKRZSA-N 0 1 385.428 2.200 20 0 GEADMN O=C(CN(Cc1cccc(O)c1)CC1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737866125 598819654 /nfs/dbraw/zinc/81/96/54/598819654.db2.gz WLJNAPCZUNPLNU-UHFFFAOYSA-N 0 1 392.463 2.101 20 0 GEADMN Cc1cc(C)cc([C@@H](O)CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000822196509 599304474 /nfs/dbraw/zinc/30/44/74/599304474.db2.gz LUXQMVYWKDZWKI-IBGZPJMESA-N 0 1 396.470 2.478 20 0 GEADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(Cl)c1 ZINC000820274320 599381617 /nfs/dbraw/zinc/38/16/17/599381617.db2.gz HCBWFYRBZJCEFH-ZBEGNZNMSA-N 0 1 386.843 2.104 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000821977704 599445816 /nfs/dbraw/zinc/44/58/16/599445816.db2.gz JGBKODRNQVIGDE-FZMZJTMJSA-N 0 1 382.449 2.050 20 0 GEADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CNCc1cnn(Cc2ccccc2)c1 ZINC000738432622 599486008 /nfs/dbraw/zinc/48/60/08/599486008.db2.gz KCWSDAZQCSLHDT-UHFFFAOYSA-N 0 1 385.435 2.049 20 0 GEADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820776708 599531213 /nfs/dbraw/zinc/53/12/13/599531213.db2.gz MWRXWDLLCUMFFY-CJNGLKHVSA-N 0 1 399.886 2.159 20 0 GEADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000820776708 599531216 /nfs/dbraw/zinc/53/12/16/599531216.db2.gz MWRXWDLLCUMFFY-CJNGLKHVSA-N 0 1 399.886 2.159 20 0 GEADMN CCOCCN1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@H]1C ZINC000821378622 599534482 /nfs/dbraw/zinc/53/44/82/599534482.db2.gz QHQZJHFTYSQVHZ-GFCCVEGCSA-N 0 1 384.406 2.433 20 0 GEADMN C[C@H](CN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820262248 599561512 /nfs/dbraw/zinc/56/15/12/599561512.db2.gz UAVHORZGDSZURH-CQSZACIVSA-N 0 1 382.447 2.023 20 0 GEADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823796462 599565921 /nfs/dbraw/zinc/56/59/21/599565921.db2.gz BRLMMCMJYFGYNO-CQSZACIVSA-N 0 1 379.468 2.328 20 0 GEADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823796462 599565923 /nfs/dbraw/zinc/56/59/23/599565923.db2.gz BRLMMCMJYFGYNO-CQSZACIVSA-N 0 1 379.468 2.328 20 0 GEADMN Cc1ccc(C[C@@H](C)N(C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737335044 599590233 /nfs/dbraw/zinc/59/02/33/599590233.db2.gz PGWUWYJEMAABLQ-MRXNPFEDSA-N 0 1 378.480 2.354 20 0 GEADMN C[C@@H]1c2ccc(F)cc2CCN1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302928 599591045 /nfs/dbraw/zinc/59/10/45/599591045.db2.gz IPZNXNGVMRBJJL-DYVFJYSZSA-N 0 1 383.427 2.365 20 0 GEADMN O=C(CN1CC[C@@H](COCc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993327 599641968 /nfs/dbraw/zinc/64/19/68/599641968.db2.gz REGAAHJVXHLPNZ-QGZVFWFLSA-N 0 1 392.463 2.344 20 0 GEADMN CC[C@@](C)(NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1nc(C)cs1 ZINC000820854084 599645042 /nfs/dbraw/zinc/64/50/42/599645042.db2.gz RIWFSSQSMNVJSI-KBXCAEBGSA-N 0 1 388.497 2.286 20 0 GEADMN CC[C@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)N(CC)CC ZINC000820847386 599662996 /nfs/dbraw/zinc/66/29/96/599662996.db2.gz CSABARNFUMMDTD-CQSZACIVSA-N 0 1 385.428 2.080 20 0 GEADMN Cc1ccc2nc(CNC(=O)N(C)Cc3cccc(-c4nn[nH]n4)c3)[nH]c2c1 ZINC000822271083 599683403 /nfs/dbraw/zinc/68/34/03/599683403.db2.gz LNDOWLIGOYPIJT-UHFFFAOYSA-N 0 1 376.424 2.393 20 0 GEADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823791795 599689518 /nfs/dbraw/zinc/68/95/18/599689518.db2.gz IILAIDJTDLYVFV-UHFFFAOYSA-N 0 1 393.495 2.496 20 0 GEADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823791795 599689519 /nfs/dbraw/zinc/68/95/19/599689519.db2.gz IILAIDJTDLYVFV-UHFFFAOYSA-N 0 1 393.495 2.496 20 0 GEADMN CS(=O)(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC000738167869 599711822 /nfs/dbraw/zinc/71/18/22/599711822.db2.gz ILBHOGWZQHQVQT-QGZVFWFLSA-N 0 1 378.425 2.381 20 0 GEADMN CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC000738167869 599711823 /nfs/dbraw/zinc/71/18/23/599711823.db2.gz ILBHOGWZQHQVQT-QGZVFWFLSA-N 0 1 378.425 2.381 20 0 GEADMN CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C(=O)[O-] ZINC000736874808 599717058 /nfs/dbraw/zinc/71/70/58/599717058.db2.gz DQPHENAPQGZMBP-FZKQIMNGSA-N 0 1 393.459 2.092 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000736282734 599718487 /nfs/dbraw/zinc/71/84/87/599718487.db2.gz BMKDTLIYIBLFKR-ZDUSSCGKSA-N 0 1 377.441 2.170 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000736282734 599718489 /nfs/dbraw/zinc/71/84/89/599718489.db2.gz BMKDTLIYIBLFKR-ZDUSSCGKSA-N 0 1 377.441 2.170 20 0 GEADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736796726 599724922 /nfs/dbraw/zinc/72/49/22/599724922.db2.gz YYWLRFJLTUSUPW-RYUDHWBXSA-N 0 1 380.420 2.091 20 0 GEADMN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000737516277 599752879 /nfs/dbraw/zinc/75/28/79/599752879.db2.gz SWWXEXVVQIMMHK-FQEVSTJZSA-N 0 1 381.476 2.332 20 0 GEADMN CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736952996 599785424 /nfs/dbraw/zinc/78/54/24/599785424.db2.gz ZDZTYPZOSLBWMT-RDJZCZTQSA-N 0 1 389.496 2.018 20 0 GEADMN CCN1CC[NH+](CCC(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)CC1 ZINC000737115520 599862468 /nfs/dbraw/zinc/86/24/68/599862468.db2.gz KEWDUVSLSLDCPV-QGZVFWFLSA-N 0 1 379.526 2.068 20 0 GEADMN CC(C)C[C@@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000736412096 599866736 /nfs/dbraw/zinc/86/67/36/599866736.db2.gz LKYCFSKEBJDIAY-IEBWSBKVSA-N 0 1 380.460 2.187 20 0 GEADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000739624182 599875887 /nfs/dbraw/zinc/87/58/87/599875887.db2.gz ISHBKFGVTJXWPF-KPYNCUPYSA-N 0 1 390.461 2.444 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000736785002 599878117 /nfs/dbraw/zinc/87/81/17/599878117.db2.gz OMSXHEPQRUFKJU-HUUCEWRRSA-N 0 1 375.469 2.021 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000736785003 599878151 /nfs/dbraw/zinc/87/81/51/599878151.db2.gz OMSXHEPQRUFKJU-LSDHHAIUSA-N 0 1 375.469 2.021 20 0 GEADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000739628090 599894345 /nfs/dbraw/zinc/89/43/45/599894345.db2.gz YCMAVTWECMHLPJ-JIHKLPAASA-N 0 1 376.478 2.342 20 0 GEADMN CCOc1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1OCC(=O)[O-] ZINC000737186142 599932265 /nfs/dbraw/zinc/93/22/65/599932265.db2.gz AYFOPVKLBSFPSK-CABCVRRESA-N 0 1 378.469 2.399 20 0 GEADMN O=C([O-])c1sc2ccccc2c1C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000740280126 599936765 /nfs/dbraw/zinc/93/67/65/599936765.db2.gz IKTIAVXAIRUCJA-UHFFFAOYSA-N 0 1 387.505 2.340 20 0 GEADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)Cc1cccc(F)c1 ZINC000739500141 599942006 /nfs/dbraw/zinc/94/20/06/599942006.db2.gz VSOWWKUIIDOVEZ-RBUKOAKNSA-N 0 1 399.466 2.492 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000738518784 599957474 /nfs/dbraw/zinc/95/74/74/599957474.db2.gz OEVYEBKJSZSATH-CQSZACIVSA-N 0 1 383.452 2.387 20 0 GEADMN C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736809463 599959825 /nfs/dbraw/zinc/95/98/25/599959825.db2.gz LGIUWXPAIDWYLP-UZLBHIALSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736809463 599959827 /nfs/dbraw/zinc/95/98/27/599959827.db2.gz LGIUWXPAIDWYLP-UZLBHIALSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736806594 599959883 /nfs/dbraw/zinc/95/98/83/599959883.db2.gz DBVVECJUCSJXAP-OXJNMPFZSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736806594 599959884 /nfs/dbraw/zinc/95/98/84/599959884.db2.gz DBVVECJUCSJXAP-OXJNMPFZSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736809458 599960214 /nfs/dbraw/zinc/96/02/14/599960214.db2.gz LGIUWXPAIDWYLP-OXJNMPFZSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736809458 599960218 /nfs/dbraw/zinc/96/02/18/599960218.db2.gz LGIUWXPAIDWYLP-OXJNMPFZSA-N 0 1 397.475 2.063 20 0 GEADMN CCOCC[N@H+]1CCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@@H]1CC ZINC000737176294 599962418 /nfs/dbraw/zinc/96/24/18/599962418.db2.gz DQVLEUXXZIUAPW-KRWDZBQOSA-N 0 1 377.485 2.064 20 0 GEADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000737505496 599970957 /nfs/dbraw/zinc/97/09/57/599970957.db2.gz LNMMISWTLJZHOP-LPHOPBHVSA-N 0 1 395.463 2.083 20 0 GEADMN O=C([O-])[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000739517606 599972963 /nfs/dbraw/zinc/97/29/63/599972963.db2.gz PQZOLHUKZCRBEA-UYAOXDASSA-N 0 1 388.439 2.009 20 0 GEADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](CC(=O)N1CCCC[C@H]1C)CC2 ZINC000737904998 599985270 /nfs/dbraw/zinc/98/52/70/599985270.db2.gz AYXDLKZODSFNAA-PBHICJAKSA-N 0 1 390.480 2.479 20 0 GEADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC(=O)N1CCCC[C@H]1C)CC2 ZINC000737904998 599985273 /nfs/dbraw/zinc/98/52/73/599985273.db2.gz AYXDLKZODSFNAA-PBHICJAKSA-N 0 1 390.480 2.479 20 0 GEADMN O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000738689358 599985938 /nfs/dbraw/zinc/98/59/38/599985938.db2.gz SWRHLXLPUKUKNZ-KRWDZBQOSA-N 0 1 388.489 2.228 20 0 GEADMN C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC000737358554 600004995 /nfs/dbraw/zinc/00/49/95/600004995.db2.gz HMFWMHDNWDMUOD-AWEZNQCLSA-N 0 1 378.425 2.206 20 0 GEADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000740202709 600012815 /nfs/dbraw/zinc/01/28/15/600012815.db2.gz LUMILEQAZDTYMG-UHFFFAOYSA-N 0 1 387.480 2.445 20 0 GEADMN Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)ccc1C(=O)[O-] ZINC000738417200 600044479 /nfs/dbraw/zinc/04/44/79/600044479.db2.gz ZWUZBJNWHRUZDW-UHFFFAOYSA-N 0 1 375.469 2.403 20 0 GEADMN COc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc(OC)c1OC ZINC000650505845 600086418 /nfs/dbraw/zinc/08/64/18/600086418.db2.gz RXQMPCAEZOVUST-CQSZACIVSA-N 0 1 380.441 2.370 20 0 GEADMN CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(F)cc1C(=O)[O-])C2 ZINC000738168703 600089727 /nfs/dbraw/zinc/08/97/27/600089727.db2.gz SNCBIKRTUXWEFL-UHFFFAOYSA-N 0 1 378.425 2.454 20 0 GEADMN CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C2 ZINC000738168703 600089731 /nfs/dbraw/zinc/08/97/31/600089731.db2.gz SNCBIKRTUXWEFL-UHFFFAOYSA-N 0 1 378.425 2.454 20 0 GEADMN CCCc1c(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737041468 600117724 /nfs/dbraw/zinc/11/77/24/600117724.db2.gz ODMHCCQGSPZGSG-UHFFFAOYSA-N 0 1 387.484 2.055 20 0 GEADMN CCCc1c(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737041468 600117727 /nfs/dbraw/zinc/11/77/27/600117727.db2.gz ODMHCCQGSPZGSG-UHFFFAOYSA-N 0 1 387.484 2.055 20 0 GEADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 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NBXUYWJCWPKCCM-GOSISDBHSA-N 0 1 376.478 2.416 20 0 GEADMN Cn1cc([C@@H]2CC[N@H+](CC(=O)Nc3sc4c(c3C(=O)[O-])CCCC4)C2)cn1 ZINC000739027709 600217863 /nfs/dbraw/zinc/21/78/63/600217863.db2.gz SETINPPQCXMOIB-GFCCVEGCSA-N 0 1 388.493 2.487 20 0 GEADMN Cn1cc([C@@H]2CC[N@@H+](CC(=O)Nc3sc4c(c3C(=O)[O-])CCCC4)C2)cn1 ZINC000739027709 600217865 /nfs/dbraw/zinc/21/78/65/600217865.db2.gz SETINPPQCXMOIB-GFCCVEGCSA-N 0 1 388.493 2.487 20 0 GEADMN C[C@H](CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000390531150 600234064 /nfs/dbraw/zinc/23/40/64/600234064.db2.gz IPUGXRIZKVEXHF-OAHLLOKOSA-N 0 1 376.478 2.325 20 0 GEADMN CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)C1 ZINC000737286050 600236000 /nfs/dbraw/zinc/23/60/00/600236000.db2.gz ZHZPNYLCGNFFLP-AWEZNQCLSA-N 0 1 377.466 2.478 20 0 GEADMN Cc1nc(C[NH+]2CCC(CNc3cc(C)nc4nc(C(=O)[O-])nn43)CC2)oc1C ZINC000738459912 600241267 /nfs/dbraw/zinc/24/12/67/600241267.db2.gz MJQCZXQZFASIHV-UHFFFAOYSA-N 0 1 399.455 2.060 20 0 GEADMN 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391.479 2.108 20 0 GEADMN COCCCOC1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821687711 606500762 /nfs/dbraw/zinc/50/07/62/606500762.db2.gz LEJUMWOBPCYJHC-UHFFFAOYSA-N 0 1 397.426 2.486 20 0 GEADMN O=C1[C@H](NCc2ccc(-c3nn[nH]n3)cc2)CCN1CCCc1ccccc1 ZINC000823511898 606629160 /nfs/dbraw/zinc/62/91/60/606629160.db2.gz IQHITJLAVGXMHQ-LJQANCHMSA-N 0 1 376.464 2.190 20 0 GEADMN Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)NCc1c[nH]nn1 ZINC000822211815 606657261 /nfs/dbraw/zinc/65/72/61/606657261.db2.gz PMCKLYVRKPEFPU-UHFFFAOYSA-N 0 1 391.395 2.407 20 0 GEADMN O=C(NCc1c[nH]nn1)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1 ZINC000823229601 606658728 /nfs/dbraw/zinc/65/87/28/606658728.db2.gz ZZIGBNSPWFTNFL-UHFFFAOYSA-N 0 1 395.358 2.238 20 0 GEADMN CN(C)[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccc(F)cc1 ZINC000821579884 606671737 /nfs/dbraw/zinc/67/17/37/606671737.db2.gz RBUXYXYNTNLRKK-HNNXBMFYSA-N 0 1 390.369 2.317 20 0 GEADMN O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCN(CC2CCCCC2)CC1 ZINC000823460063 606674876 /nfs/dbraw/zinc/67/48/76/606674876.db2.gz HGWTWPKTCILSNQ-UHFFFAOYSA-N 0 1 390.438 2.483 20 0 GEADMN O=C(NCCC1CCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823182560 606677346 /nfs/dbraw/zinc/67/73/46/606677346.db2.gz MKGJJINNRQSZDA-UHFFFAOYSA-N 0 1 383.500 2.274 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)OCCc2c[nH]nn2)cc1 ZINC000822144078 606840928 /nfs/dbraw/zinc/84/09/28/606840928.db2.gz JUMCSHMKDDASHF-UHFFFAOYSA-N 0 1 391.391 2.485 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)OCCc2cnn[nH]2)cc1 ZINC000822144078 606840929 /nfs/dbraw/zinc/84/09/29/606840929.db2.gz JUMCSHMKDDASHF-UHFFFAOYSA-N 0 1 391.391 2.485 20 0 GEADMN O[C@H](CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681902 606843556 /nfs/dbraw/zinc/84/35/56/606843556.db2.gz LIVMMJBZYNANHS-GOSISDBHSA-N 0 1 384.871 2.376 20 0 GEADMN Cc1nc2sccn2c1CN(C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822468038 606845678 /nfs/dbraw/zinc/84/56/78/606845678.db2.gz VPQMPFZPSXIZCE-UHFFFAOYSA-N 0 1 396.480 2.345 20 0 GEADMN COc1ccccc1N1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821899291 606883920 /nfs/dbraw/zinc/88/39/20/606883920.db2.gz WSNPRHRVJBMZKY-UHFFFAOYSA-N 0 1 394.479 2.466 20 0 GEADMN CCc1ccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)s1 ZINC000821487815 606886819 /nfs/dbraw/zinc/88/68/19/606886819.db2.gz YFZMGPUORPDZNN-UHFFFAOYSA-N 0 1 385.421 2.247 20 0 GEADMN O=S(=O)(NCc1cc2ccccc2o1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823577883 606887307 /nfs/dbraw/zinc/88/73/07/606887307.db2.gz CEMMWLDLHMRBSO-UHFFFAOYSA-N 0 1 391.359 2.370 20 0 GEADMN O=S(=O)(NCc1coc2ccccc12)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578261 606892701 /nfs/dbraw/zinc/89/27/01/606892701.db2.gz KNFRENLBPZDUSH-UHFFFAOYSA-N 0 1 391.359 2.370 20 0 GEADMN FC(F)(F)c1ccc(N2CC[C@H](CN3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000822723796 606913528 /nfs/dbraw/zinc/91/35/28/606913528.db2.gz OPBYIOPGNYGMOD-GFCCVEGCSA-N 0 1 382.390 2.044 20 0 GEADMN CC(C)(C)OC(=O)NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000819939784 606962694 /nfs/dbraw/zinc/96/26/94/606962694.db2.gz JPXZNQKLYWQULE-UHFFFAOYSA-N 0 1 376.436 2.495 20 0 GEADMN C[C@@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@H]1n1ccnc1 ZINC000820728129 607025443 /nfs/dbraw/zinc/02/54/43/607025443.db2.gz TXWGYSYCMODKLX-DNVCBOLYSA-N 0 1 389.467 2.467 20 0 GEADMN Clc1cccc(N2CCN(CCNc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000822585648 607038879 /nfs/dbraw/zinc/03/88/79/607038879.db2.gz ISFUIRRKJGTRRH-UHFFFAOYSA-N 0 1 384.875 2.149 20 0 GEADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821637451 607087211 /nfs/dbraw/zinc/08/72/11/607087211.db2.gz GQQJGPFXVKNQCZ-CHWSQXEVSA-N 0 1 386.481 2.187 20 0 GEADMN COC(=O)CC1(NCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CCCCC1 ZINC000821659181 607120923 /nfs/dbraw/zinc/12/09/23/607120923.db2.gz UUXXNEGVAMIEES-UHFFFAOYSA-N 0 1 397.439 2.272 20 0 GEADMN O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823707219 607129358 /nfs/dbraw/zinc/12/93/58/607129358.db2.gz XHNGJXJEANHUKD-MNOVXSKESA-N 0 1 383.909 2.156 20 0 GEADMN O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823707219 607129359 /nfs/dbraw/zinc/12/93/59/607129359.db2.gz XHNGJXJEANHUKD-MNOVXSKESA-N 0 1 383.909 2.156 20 0 GEADMN CC(C)n1ncc2cc(S(=O)(=O)Nc3cc(-c4nn[nH]n4)ccc3O)ccc21 ZINC000820215074 607171855 /nfs/dbraw/zinc/17/18/55/607171855.db2.gz RYBQPCGDDKWSDE-UHFFFAOYSA-N 0 1 399.436 2.304 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)n[nH]1 ZINC000822199701 607213549 /nfs/dbraw/zinc/21/35/49/607213549.db2.gz DXPWHTWBZVFHGK-GFCCVEGCSA-N 0 1 380.456 2.203 20 0 GEADMN c1nnc([C@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1C1CC1 ZINC000823801990 607237045 /nfs/dbraw/zinc/23/70/45/607237045.db2.gz FBVMIQNAQWVVQU-AWEZNQCLSA-N 0 1 389.467 2.425 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NC2CCC(OC(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826229358 607781020 /nfs/dbraw/zinc/78/10/20/607781020.db2.gz AYMMYHIBFXTJPH-UHFFFAOYSA-N 0 1 392.485 2.155 20 0 GEADMN O=C(NCCN1CCC1)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000826437233 607781660 /nfs/dbraw/zinc/78/16/60/607781660.db2.gz BOTUPPVJJXRQBG-UHFFFAOYSA-N 0 1 383.481 2.100 20 0 GEADMN O[C@@H](CN1CCO[C@]2(CCc3ccccc32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502544 607803540 /nfs/dbraw/zinc/80/35/40/607803540.db2.gz FVEMLCMICIZWEO-PZJWPPBQSA-N 0 1 377.448 2.074 20 0 GEADMN CC(C)[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824213566 607827618 /nfs/dbraw/zinc/82/76/18/607827618.db2.gz BXDHJUPXLIKJCJ-HNNXBMFYSA-N 0 1 377.514 2.399 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCCC2Cc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000826229859 607929637 /nfs/dbraw/zinc/92/96/37/607929637.db2.gz ULFGHKCZGFYDJG-UHFFFAOYSA-N 0 1 396.476 2.224 20 0 GEADMN CN1CC[C@@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H]1c1ccccc1 ZINC000826029546 608007009 /nfs/dbraw/zinc/00/70/09/608007009.db2.gz SXRXRZHMPHVPCO-WBVHZDCISA-N 0 1 384.390 2.320 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]c3cc(Cl)ccc23)c1-c1nnn[n-]1 ZINC000826077552 608019611 /nfs/dbraw/zinc/01/96/11/608019611.db2.gz LXJTZDXASGQURH-UHFFFAOYSA-N 0 1 399.846 2.129 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]c3cc(Cl)ccc23)c1-c1nn[n-]n1 ZINC000826077552 608019612 /nfs/dbraw/zinc/01/96/12/608019612.db2.gz LXJTZDXASGQURH-UHFFFAOYSA-N 0 1 399.846 2.129 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc3ccccc23)c1-c1nnn[n-]1 ZINC000826077364 608020520 /nfs/dbraw/zinc/02/05/20/608020520.db2.gz FQWNVRLRIUOXGP-UHFFFAOYSA-N 0 1 396.480 2.138 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc3ccccc23)c1-c1nn[n-]n1 ZINC000826077364 608020521 /nfs/dbraw/zinc/02/05/21/608020521.db2.gz FQWNVRLRIUOXGP-UHFFFAOYSA-N 0 1 396.480 2.138 20 0 GEADMN CCc1ccc([C@H](C)CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825705191 608020844 /nfs/dbraw/zinc/02/08/44/608020844.db2.gz YJVXLDHPTOSIKX-CYBMUJFWSA-N 0 1 396.499 2.437 20 0 GEADMN CCc1ccc([C@H](C)CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825705191 608020845 /nfs/dbraw/zinc/02/08/45/608020845.db2.gz YJVXLDHPTOSIKX-CYBMUJFWSA-N 0 1 396.499 2.437 20 0 GEADMN Cc1ccc(OCCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826292472 608035124 /nfs/dbraw/zinc/03/51/24/608035124.db2.gz WCDCDJQLHYFDFX-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1ccc(OCCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826292472 608035125 /nfs/dbraw/zinc/03/51/25/608035125.db2.gz WCDCDJQLHYFDFX-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1ccc(OCCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826292472 608035126 /nfs/dbraw/zinc/03/51/26/608035126.db2.gz WCDCDJQLHYFDFX-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1ccc(OCCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826292472 608035127 /nfs/dbraw/zinc/03/51/27/608035127.db2.gz WCDCDJQLHYFDFX-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(Cl)c2cccnc12 ZINC000825935203 608036710 /nfs/dbraw/zinc/03/67/10/608036710.db2.gz WWYDKKLSOCUOKK-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(Cl)c2cccnc12 ZINC000825935203 608036711 /nfs/dbraw/zinc/03/67/11/608036711.db2.gz WWYDKKLSOCUOKK-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(Cl)c2cccnc12 ZINC000825935203 608036712 /nfs/dbraw/zinc/03/67/12/608036712.db2.gz WWYDKKLSOCUOKK-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(Cl)c2cccnc12 ZINC000825935203 608036713 /nfs/dbraw/zinc/03/67/13/608036713.db2.gz WWYDKKLSOCUOKK-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN CC(C)CN1CCO[C@H](CNc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000824261332 608046964 /nfs/dbraw/zinc/04/69/64/608046964.db2.gz IHAKFRAXOQJAJB-CYBMUJFWSA-N 0 1 395.305 2.398 20 0 GEADMN Cc1cccc([C@H]2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297297 608127521 /nfs/dbraw/zinc/12/75/21/608127521.db2.gz AXRXITUJBJDCCS-IBGZPJMESA-N 0 1 376.464 2.281 20 0 GEADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826457743 608213149 /nfs/dbraw/zinc/21/31/49/608213149.db2.gz OIGBXWHMGZVYDW-UHFFFAOYSA-N 0 1 378.436 2.076 20 0 GEADMN O=C(C=C1CCSCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826400186 608220749 /nfs/dbraw/zinc/22/07/49/608220749.db2.gz RKTMTIZLKZSMJV-UHFFFAOYSA-N 0 1 398.536 2.354 20 0 GEADMN CC[N@@H+](CC(=O)[N-]OCc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825394999 608226032 /nfs/dbraw/zinc/22/60/32/608226032.db2.gz JGXIFISCGNSDLD-HNNXBMFYSA-N 0 1 380.452 2.498 20 0 GEADMN O=C(N[C@@H]1CCc2[nH]cnc2C1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826432287 608277757 /nfs/dbraw/zinc/27/77/57/608277757.db2.gz WYMWULYDYPKEKO-MRVPVSSYSA-N 0 1 378.223 2.184 20 0 GEADMN CCN1C[C@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@@H]1C ZINC000825443732 608281452 /nfs/dbraw/zinc/28/14/52/608281452.db2.gz FBPDUOJYMIFGFS-QWRGUYRKSA-N 0 1 395.414 2.415 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2nccs2)c1-c1nn[n-]n1 ZINC000826332173 608317778 /nfs/dbraw/zinc/31/77/78/608317778.db2.gz LUOJWCSVOJHOKP-UHFFFAOYSA-N 0 1 380.481 2.492 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2nccs2)c1-c1nn[n-]n1 ZINC000826332173 608317780 /nfs/dbraw/zinc/31/77/80/608317780.db2.gz LUOJWCSVOJHOKP-UHFFFAOYSA-N 0 1 380.481 2.492 20 0 GEADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563155 608461990 /nfs/dbraw/zinc/46/19/90/608461990.db2.gz MOKHIILNPDAPOE-CYBMUJFWSA-N 0 1 394.435 2.317 20 0 GEADMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826209722 608468110 /nfs/dbraw/zinc/46/81/10/608468110.db2.gz NSWFKLSGHIXDNQ-GFCCVEGCSA-N 0 1 382.424 2.173 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc(OCCO)c(OC)c1 ZINC000826169689 608470789 /nfs/dbraw/zinc/47/07/89/608470789.db2.gz AWVUNURJXRPLNA-CYBMUJFWSA-N 0 1 399.451 2.106 20 0 GEADMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826187865 608472088 /nfs/dbraw/zinc/47/20/88/608472088.db2.gz GVZYCIRLZSRSAA-GFCCVEGCSA-N 0 1 382.424 2.173 20 0 GEADMN O=S(=O)(CCN[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826485107 608504146 /nfs/dbraw/zinc/50/41/46/608504146.db2.gz CDVFCENLQDBKPB-GOSISDBHSA-N 0 1 383.477 2.308 20 0 GEADMN 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CN1CCN(Cc2ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000906125650 654418137 /nfs/dbraw/zinc/41/81/37/654418137.db2.gz DBGDGYGHIHKMMG-AWEZNQCLSA-N 0 1 394.730 2.494 20 0 GEADMN CC(C)(CNC(=O)NCCN1CCC(O)CC1)c1ccccc1Br ZINC000893773920 654420889 /nfs/dbraw/zinc/42/08/89/654420889.db2.gz IMJMAEJKDTVCDD-UHFFFAOYSA-N 0 1 398.345 2.483 20 0 GEADMN Cn1cc(CNCCc2cccc3c2OCCO3)c(I)n1 ZINC000922945557 654421318 /nfs/dbraw/zinc/42/13/18/654421318.db2.gz RCIVVJWQTMXOJQ-UHFFFAOYSA-N 0 1 399.232 2.128 20 0 GEADMN CO[C@@H](C(=O)NCCCCN1CCOCC1)c1ccc(Br)s1 ZINC000906213993 654422110 /nfs/dbraw/zinc/42/21/10/654422110.db2.gz CUPAWKODVABIQF-CQSZACIVSA-N 0 1 391.331 2.427 20 0 GEADMN COc1ccc(OC)c([C@H](O)[C@H](C)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000873196098 654422467 /nfs/dbraw/zinc/42/24/67/654422467.db2.gz QVDDEFYELDDUBT-APPDUMDISA-N 0 1 385.507 2.381 20 0 GEADMN CCOC(=O)c1ncc(Br)c(N2C[C@@H](N3CCCC3)C[C@H]2C)n1 ZINC000893828471 654426199 /nfs/dbraw/zinc/42/61/99/654426199.db2.gz LWRVSWRXYBNONW-NEPJUHHUSA-N 0 1 383.290 2.479 20 0 GEADMN CN(C(=O)NCCCc1nc[nH]n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000923136958 654428158 /nfs/dbraw/zinc/42/81/58/654428158.db2.gz PIJQQOTUNYSGSS-HIFRSBDPSA-N 0 1 384.267 2.344 20 0 GEADMN O=C(NCCCc1nc[nH]n1)N1CCc2c(Br)ccc(F)c2C1 ZINC000923139320 654428629 /nfs/dbraw/zinc/42/86/29/654428629.db2.gz KCBNBWDDXDLLEM-UHFFFAOYSA-N 0 1 382.237 2.407 20 0 GEADMN COC(=O)[C@@H]1CCN(C(=O)CSc2n[nH]c(=S)s2)[C@H]2CCCC[C@@H]12 ZINC000855645122 654431211 /nfs/dbraw/zinc/43/12/11/654431211.db2.gz ZLQYYSLMWXEBNJ-AXFHLTTASA-N 0 1 387.552 2.499 20 0 GEADMN C[C@H](C(=O)[O-])[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000923245930 654437013 /nfs/dbraw/zinc/43/70/13/654437013.db2.gz OYTQQWBQECRDBQ-RNCFNFMXSA-N 0 1 376.222 2.265 20 0 GEADMN COCc1nc(CNC(=O)N2CCc3cc(F)c(Br)cc3C2)n[nH]1 ZINC000923249783 654437941 /nfs/dbraw/zinc/43/79/41/654437941.db2.gz XGFCRIXYKFSANN-UHFFFAOYSA-N 0 1 398.236 2.121 20 0 GEADMN COCc1nnc(CNC(=O)N2CCc3cc(F)c(Br)cc3C2)[nH]1 ZINC000923249783 654437948 /nfs/dbraw/zinc/43/79/48/654437948.db2.gz XGFCRIXYKFSANN-UHFFFAOYSA-N 0 1 398.236 2.121 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000923263558 654440233 /nfs/dbraw/zinc/44/02/33/654440233.db2.gz OUTXHYNRNHARLU-YVLXSGLVSA-N 0 1 390.249 2.371 20 0 GEADMN Cn1cc(C[C@H]2CCN(Cc3sc(N4CCOCC4)nc3Cl)C2)cn1 ZINC000894084695 654444966 /nfs/dbraw/zinc/44/49/66/654444966.db2.gz MYBHHICLMLUWOB-CYBMUJFWSA-N 0 1 381.933 2.431 20 0 GEADMN COc1cc(Br)ccc1NC(=O)C(=O)NCCCc1cn[nH]c1C ZINC000873659654 654445272 /nfs/dbraw/zinc/44/52/72/654445272.db2.gz GGPDPAOKMPXDNE-UHFFFAOYSA-N 0 1 395.257 2.177 20 0 GEADMN O=C1C[C@@H]([C@H]2CCCCN2Cc2sc(N3CCOCC3)nc2Cl)CN1 ZINC000894094765 654446435 /nfs/dbraw/zinc/44/64/35/654446435.db2.gz NEXUXMNEUZMYKK-CHWSQXEVSA-N 0 1 384.933 2.124 20 0 GEADMN Cc1c(C(=O)N[C@@H]2CCCN(C)C2)nnn1-c1ccccc1Br ZINC000906584637 654451135 /nfs/dbraw/zinc/45/11/35/654451135.db2.gz LESAZKVLKFNOGC-GFCCVEGCSA-N 0 1 378.274 2.162 20 0 GEADMN Cc1c(C(=O)N[C@H]2CCCN(C)C2)nnn1-c1ccccc1Br ZINC000906584638 654451417 /nfs/dbraw/zinc/45/14/17/654451417.db2.gz LESAZKVLKFNOGC-LBPRGKRZSA-N 0 1 378.274 2.162 20 0 GEADMN Cc1n[nH]c(CCNC(=O)c2ccc(Cn3cc(Br)cn3)s2)n1 ZINC000906602562 654453146 /nfs/dbraw/zinc/45/31/46/654453146.db2.gz CJZNCENUCPVQCO-UHFFFAOYSA-N 0 1 395.286 2.154 20 0 GEADMN COc1ccccc1N1CCC(NCc2nc(Br)nn2C)CC1 ZINC000894207953 654455606 /nfs/dbraw/zinc/45/56/06/654455606.db2.gz BRBWQAZOVZNCFF-UHFFFAOYSA-N 0 1 380.290 2.345 20 0 GEADMN Cn1cc(CNC[C@@]2(O)CCCc3ccccc32)c(I)n1 ZINC000894252682 654459377 /nfs/dbraw/zinc/45/93/77/654459377.db2.gz NALKCIRHRBVUIT-INIZCTEOSA-N 0 1 397.260 2.338 20 0 GEADMN C[C@H](CNC(=O)Cc1cc(Br)ccc1Cl)N1CCN(C)CC1 ZINC000906684226 654459655 /nfs/dbraw/zinc/45/96/55/654459655.db2.gz YVFCVJGUKXKWJB-GFCCVEGCSA-N 0 1 388.737 2.397 20 0 GEADMN C[C@@H](CNC(=O)c1ccc(Cn2cc(Cl)cn2)s1)N1CCN(C)CC1 ZINC000906683765 654459696 /nfs/dbraw/zinc/45/96/96/654459696.db2.gz PGMVXKFJJLKXGD-ZDUSSCGKSA-N 0 1 381.933 2.012 20 0 GEADMN O=S(=O)(CCNCc1ncc(Br)cc1O)CCc1ccccc1 ZINC000894260231 654460528 /nfs/dbraw/zinc/46/05/28/654460528.db2.gz DIRGHYWXFVZLOW-UHFFFAOYSA-N 0 1 399.310 2.297 20 0 GEADMN C[C@H](N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000894263231 654461136 /nfs/dbraw/zinc/46/11/36/654461136.db2.gz PAXGXHOXRSQSLX-RVBZMBCESA-N 0 1 378.263 2.435 20 0 GEADMN Cn1cc(CNC[C@](C)(O)c2ccsc2)c(I)n1 ZINC000894285016 654461992 /nfs/dbraw/zinc/46/19/92/654461992.db2.gz UDYPVCRJRVUCNE-LBPRGKRZSA-N 0 1 377.251 2.084 20 0 GEADMN Cn1cc(CNC[C@H](CCO)c2ccccc2)c(I)n1 ZINC000894289116 654462718 /nfs/dbraw/zinc/46/27/18/654462718.db2.gz HRKIKWFQOUJVMV-ZDUSSCGKSA-N 0 1 385.249 2.281 20 0 GEADMN Cn1nc(Br)nc1CNCCc1nc(-c2ccncc2)cs1 ZINC000894306238 654463738 /nfs/dbraw/zinc/46/37/38/654463738.db2.gz YSNASYALLYPQOT-UHFFFAOYSA-N 0 1 379.287 2.428 20 0 GEADMN Cc1cc(Br)c(CC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)s1 ZINC000906724706 654464721 /nfs/dbraw/zinc/46/47/21/654464721.db2.gz DZRVFEHMMHPOPZ-UHFFFAOYSA-N 0 1 398.330 2.132 20 0 GEADMN Clc1nc(N2CCOCC2)sc1CN[C@H]1CCN(c2ccccn2)C1 ZINC000894358216 654468902 /nfs/dbraw/zinc/46/89/02/654468902.db2.gz DIQCKGAGWXCFLC-ZDUSSCGKSA-N 0 1 379.917 2.397 20 0 GEADMN Cn1ncc(I)c1CNCCSCC(F)(F)F ZINC000894362655 654469412 /nfs/dbraw/zinc/46/94/12/654469412.db2.gz XMFKZVOMPJCLAF-UHFFFAOYSA-N 0 1 379.189 2.410 20 0 GEADMN C[C@@H](C[C@H](O)c1ccco1)NCc1c(I)cnn1C ZINC000894371101 654470503 /nfs/dbraw/zinc/47/05/03/654470503.db2.gz VGAZWMIFQLKKBP-CABZTGNLSA-N 0 1 375.210 2.220 20 0 GEADMN Nc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)n1 ZINC000873856084 654473320 /nfs/dbraw/zinc/47/33/20/654473320.db2.gz AERMOKWMGAWUGY-CQSZACIVSA-N 0 1 375.270 2.431 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)oc1Cl ZINC000906819703 654475609 /nfs/dbraw/zinc/47/56/09/654475609.db2.gz VGGBVYZEUDYGQU-JTQLQIEISA-N 0 1 385.825 2.249 20 0 GEADMN COCC[C@H](Cc1ccco1)NCc1c(I)cnn1C ZINC000894446018 654476506 /nfs/dbraw/zinc/47/65/06/654476506.db2.gz VYXTUOAXMRWEKN-LLVKDONJSA-N 0 1 389.237 2.355 20 0 GEADMN CC(=O)Nc1cc(Br)ccc1CNCCS(=O)(=O)C(C)C ZINC000894526914 654483230 /nfs/dbraw/zinc/48/32/30/654483230.db2.gz RCCUHPLRBAEXLN-UHFFFAOYSA-N 0 1 377.304 2.320 20 0 GEADMN COc1cc(Br)c(Cc2noc(Cc3nnc[nH]3)n2)cc1OC ZINC000923780693 654483386 /nfs/dbraw/zinc/48/33/86/654483386.db2.gz PBIRACQIKYEJJB-UHFFFAOYSA-N 0 1 380.202 2.149 20 0 GEADMN C[C@H]1C[C@@H](NCc2nc(Br)nn2C)CCN1C(=O)OC(C)(C)C ZINC000894581487 654488446 /nfs/dbraw/zinc/48/84/46/654488446.db2.gz LZXYNKINAPAOBZ-QWRGUYRKSA-N 0 1 388.310 2.455 20 0 GEADMN CSCc1n[nH]c(CNC(=O)c2cc(Br)cc(N(C)C)c2)n1 ZINC000894603084 654489616 /nfs/dbraw/zinc/48/96/16/654489616.db2.gz RVPVHIQKJXBPIV-UHFFFAOYSA-N 0 1 384.303 2.426 20 0 GEADMN CSCc1nnc(CNC(=O)c2cc(Br)cc(N(C)C)c2)[nH]1 ZINC000894603084 654489617 /nfs/dbraw/zinc/48/96/17/654489617.db2.gz RVPVHIQKJXBPIV-UHFFFAOYSA-N 0 1 384.303 2.426 20 0 GEADMN CSCc1n[nH]c(CNC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)n1 ZINC000894600478 654489751 /nfs/dbraw/zinc/48/97/51/654489751.db2.gz KJCNXPMSJKWDLD-NSHDSACASA-N 0 1 383.836 2.270 20 0 GEADMN CSCc1nnc(CNC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)[nH]1 ZINC000894600478 654489755 /nfs/dbraw/zinc/48/97/55/654489755.db2.gz KJCNXPMSJKWDLD-NSHDSACASA-N 0 1 383.836 2.270 20 0 GEADMN CSCc1n[nH]c(CNC(=O)CSc2ccc(C(F)(F)F)cn2)n1 ZINC000894613497 654490603 /nfs/dbraw/zinc/49/06/03/654490603.db2.gz DHEAHHACGQUEFK-UHFFFAOYSA-N 0 1 377.417 2.490 20 0 GEADMN CSCc1nnc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)[nH]1 ZINC000894613497 654490604 /nfs/dbraw/zinc/49/06/04/654490604.db2.gz DHEAHHACGQUEFK-UHFFFAOYSA-N 0 1 377.417 2.490 20 0 GEADMN CSCc1n[nH]c(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000894614778 654490822 /nfs/dbraw/zinc/49/08/22/654490822.db2.gz YNTGFJMBVNPWKN-UHFFFAOYSA-N 0 1 381.889 2.148 20 0 GEADMN CSCc1nnc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)[nH]1 ZINC000894614778 654490825 /nfs/dbraw/zinc/49/08/25/654490825.db2.gz YNTGFJMBVNPWKN-UHFFFAOYSA-N 0 1 381.889 2.148 20 0 GEADMN CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C)CCC(F)(F)F ZINC000906954525 654492521 /nfs/dbraw/zinc/49/25/21/654492521.db2.gz VRFOLFKXYNDCTM-UHFFFAOYSA-N 0 1 382.404 2.246 20 0 GEADMN CC[N@@H+](CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C)CCC(F)(F)F ZINC000906954525 654492525 /nfs/dbraw/zinc/49/25/25/654492525.db2.gz VRFOLFKXYNDCTM-UHFFFAOYSA-N 0 1 382.404 2.246 20 0 GEADMN O=C(CCc1nn[nH]n1)NCc1cc(C(F)(F)F)ccc1Br ZINC000923960123 654493786 /nfs/dbraw/zinc/49/37/86/654493786.db2.gz HCZMYOHGHPGMKW-UHFFFAOYSA-N 0 1 378.152 2.230 20 0 GEADMN C[C@@H](NCC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778203 654494284 /nfs/dbraw/zinc/49/42/84/654494284.db2.gz IZSSIPQRZRJWIC-SECBINFHSA-N 0 1 386.823 2.344 20 0 GEADMN Cn1cc(CNCCc2ccc3c[nH]nc3c2)c(I)n1 ZINC000894690398 654494513 /nfs/dbraw/zinc/49/45/13/654494513.db2.gz LHCRAEVUXQGBDY-UHFFFAOYSA-N 0 1 381.221 2.233 20 0 GEADMN O=C(NCCOC(F)(F)C(F)(F)F)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000923974116 654494896 /nfs/dbraw/zinc/49/48/96/654494896.db2.gz QRROTMIVGJOHQX-UWVGGRQHSA-N 0 1 377.379 2.037 20 0 GEADMN CCn1cc(CNC[C@H](CO)Cc2ccc(OC)c(Br)c2)nn1 ZINC000894751349 654497022 /nfs/dbraw/zinc/49/70/22/654497022.db2.gz SHOAQGLBJSJPSY-CYBMUJFWSA-N 0 1 383.290 2.010 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO[C@H]2C(C)C)oc1Cl ZINC000907026919 654501429 /nfs/dbraw/zinc/50/14/29/654501429.db2.gz XLAPVYIQEFVTGL-MFKMUULPSA-N 0 1 379.862 2.449 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)c2cnnn2-c2ccccc2Br)n[nH]1 ZINC000907058633 654504969 /nfs/dbraw/zinc/50/49/69/654504969.db2.gz YJVIZVKIFQESNK-JTQLQIEISA-N 0 1 389.257 2.422 20 0 GEADMN Cc1ccc(C[C@H](CO)NCc2cn(C)nc2I)cc1C ZINC000894968789 654508165 /nfs/dbraw/zinc/50/81/65/654508165.db2.gz DTJCORDXGIFYDK-OAHLLOKOSA-N 0 1 399.276 2.335 20 0 GEADMN C[C@@H](NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1)c1nnc[nH]1 ZINC000907085560 654508969 /nfs/dbraw/zinc/50/89/69/654508969.db2.gz NEODFGDDHQDOAF-RNCFNFMXSA-N 0 1 385.287 2.105 20 0 GEADMN Cc1cc(OCC(=O)N2CCC[C@@H](c3nn[nH]n3)C2)ccc1Br ZINC000907103498 654510243 /nfs/dbraw/zinc/51/02/43/654510243.db2.gz 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532934028 /nfs/dbraw/zinc/93/40/28/532934028.db2.gz RBVSDWLLWQERGG-UHFFFAOYSA-N 0 1 382.873 2.113 20 0 GEADMN COCCCn1ccc(NC(=O)[C@](C)(N)c2ccc(Br)cc2)n1 ZINC000294025411 532934772 /nfs/dbraw/zinc/93/47/72/532934772.db2.gz GXLWNNWDJYIJQL-MRXNPFEDSA-N 0 1 381.274 2.495 20 0 GEADMN CC(C)[C@@H](CNC(=O)Nc1ccnc(Br)c1)N1CCN(C)CC1 ZINC000294162282 532936448 /nfs/dbraw/zinc/93/64/48/532936448.db2.gz IFFBPFVGUUTTCE-CQSZACIVSA-N 0 1 384.322 2.238 20 0 GEADMN Cc1ccc(NC(=O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000369267588 532937942 /nfs/dbraw/zinc/93/79/42/532937942.db2.gz DOYGNGGBJVAYJQ-IRXDYDNUSA-N 0 1 396.329 2.227 20 0 GEADMN C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@H](C)N1C ZINC000294385153 532938681 /nfs/dbraw/zinc/93/86/81/532938681.db2.gz IUYCHLYJGRZMNV-TYNCELHUSA-N 0 1 380.286 2.105 20 0 GEADMN C[C@H]1C[C@@H](NC(=O)CSc2n[nH]c(=S)s2)C(=O)N1c1ccccc1 ZINC000370015400 532941633 /nfs/dbraw/zinc/94/16/33/532941633.db2.gz CURQFVCWNQYTNP-GXSJLCMTSA-N 0 1 380.520 2.229 20 0 GEADMN O=C(NC1CCN(Cc2ccsc2)CC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000370038310 532941852 /nfs/dbraw/zinc/94/18/52/532941852.db2.gz VLIORWWGPBAXBT-OAHLLOKOSA-N 0 1 377.432 2.421 20 0 GEADMN Cn1cc([C@H]2[C@@H](CNC(=O)CSCc3cscn3)CCCN2C)cn1 ZINC000370823153 532945607 /nfs/dbraw/zinc/94/56/07/532945607.db2.gz GGCCMZOYXZVGQK-CXAGYDPISA-N 0 1 379.555 2.309 20 0 GEADMN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000370857958 532945897 /nfs/dbraw/zinc/94/58/97/532945897.db2.gz AWKWWZAKYPPWMK-NSHDSACASA-N 0 1 392.630 2.139 20 0 GEADMN O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000370862840 532945944 /nfs/dbraw/zinc/94/59/44/532945944.db2.gz RZMYRZFFKGRGEV-ZDUSSCGKSA-N 0 1 377.495 2.282 20 0 GEADMN O=S1(=O)CC[C@@H](Nc2ncnc3[nH]cnc32)c2cc(Br)ccc21 ZINC000370621333 532944642 /nfs/dbraw/zinc/94/46/42/532944642.db2.gz DCPQLEQYGJACQY-SNVBAGLBSA-N 0 1 394.254 2.446 20 0 GEADMN COc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1I ZINC000371352669 532947743 /nfs/dbraw/zinc/94/77/43/532947743.db2.gz GQAQOIXMAVQGCG-SNVBAGLBSA-N 0 1 397.216 2.310 20 0 GEADMN CN1CCN(C[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 ZINC000371416414 532947982 /nfs/dbraw/zinc/94/79/82/532947982.db2.gz GQLFAFLKMORTTC-CYBMUJFWSA-N 0 1 377.963 2.050 20 0 GEADMN Cn1nc(-c2ccccc2)c(CN2CCC[C@@H](CS(N)(=O)=O)C2)c1Cl ZINC000371421210 532948021 /nfs/dbraw/zinc/94/80/21/532948021.db2.gz OIYCRNZBUNXRJF-CYBMUJFWSA-N 0 1 382.917 2.241 20 0 GEADMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cnc3Cl)C[C@H]21 ZINC000371503973 532948298 /nfs/dbraw/zinc/94/82/98/532948298.db2.gz BTOUPIXVRUEKPX-MWLCHTKSSA-N 0 1 394.722 2.212 20 0 GEADMN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000371528696 532948446 /nfs/dbraw/zinc/94/84/46/532948446.db2.gz NJTADHXCEXKGKE-MFKMUULPSA-N 0 1 396.241 2.118 20 0 GEADMN CSc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3NS(C)(=O)=O)C2)o1 ZINC000371615064 532948933 /nfs/dbraw/zinc/94/89/33/532948933.db2.gz FPYUDQBRFJHONZ-JTQLQIEISA-N 0 1 384.483 2.116 20 0 GEADMN CN1C(=O)C[C@@H](NC(=O)CSc2n[nH]c(=S)s2)[C@@H]1c1ccc(F)cc1 ZINC000371033457 532946618 /nfs/dbraw/zinc/94/66/18/532946618.db2.gz CQDJDDUTPMCLBS-MFKMUULPSA-N 0 1 398.510 2.146 20 0 GEADMN COc1ccc(Br)c(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000371245027 532947413 /nfs/dbraw/zinc/94/74/13/532947413.db2.gz RYGSZCVFKNRELN-IRXDYDNUSA-N 0 1 397.313 2.058 20 0 GEADMN CCOC(=O)C1(NC(=O)c2ccc(Br)cc2OC)CCN(C)CC1 ZINC000371705702 532949357 /nfs/dbraw/zinc/94/93/57/532949357.db2.gz FPKBYDGAQCLKNS-UHFFFAOYSA-N 0 1 399.285 2.215 20 0 GEADMN Cc1c2cccc(Br)c2oc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000371699321 532949430 /nfs/dbraw/zinc/94/94/30/532949430.db2.gz FVQKEPKPKMAKLD-LLVKDONJSA-N 0 1 392.213 2.231 20 0 GEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(N3CCCCCC3)nc2)CC1 ZINC000186662170 570310933 /nfs/dbraw/zinc/31/09/33/570310933.db2.gz HMBGNSGOSHGKOP-SFHVURJKSA-N 0 1 388.512 2.473 20 0 GEADMN CNC(=O)c1cccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000736883701 598871884 /nfs/dbraw/zinc/87/18/84/598871884.db2.gz WXIFPFJHMLXAFY-UHFFFAOYSA-N 0 1 392.463 2.270 20 0 GEADMN O=C([C@H]1Cc2ccccc21)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737793032 598931274 /nfs/dbraw/zinc/93/12/74/598931274.db2.gz UCTGTJDDQNMRHI-FQEVSTJZSA-N 0 1 388.475 2.241 20 0 GEADMN C[C@@H]1C[NH+](C(C)(C)CNc2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736295184 598956167 /nfs/dbraw/zinc/95/61/67/598956167.db2.gz ZIUURQULSFSFRO-CHWSQXEVSA-N 0 1 382.472 2.110 20 0 GEADMN C[C@@H]1C[NH+](C(C)(C)CNc2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736295184 598956169 /nfs/dbraw/zinc/95/61/69/598956169.db2.gz ZIUURQULSFSFRO-CHWSQXEVSA-N 0 1 382.472 2.110 20 0 GEADMN O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738117033 598985372 /nfs/dbraw/zinc/98/53/72/598985372.db2.gz OUMAMMZDQIYHMY-UHFFFAOYSA-N 0 1 377.452 2.178 20 0 GEADMN O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738117033 598985374 /nfs/dbraw/zinc/98/53/74/598985374.db2.gz OUMAMMZDQIYHMY-UHFFFAOYSA-N 0 1 377.452 2.178 20 0 GEADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738175933 598998208 /nfs/dbraw/zinc/99/82/08/598998208.db2.gz QPKVNQPUZQUQPP-HNNXBMFYSA-N 0 1 376.380 2.242 20 0 GEADMN NC(=O)[C@H](NCCc1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735406 599094024 /nfs/dbraw/zinc/09/40/24/599094024.db2.gz CUMQBQLJAQYKPO-OAHLLOKOSA-N 0 1 390.369 2.244 20 0 GEADMN CC(C)[C@H](CO)N(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000735708821 599132360 /nfs/dbraw/zinc/13/23/60/599132360.db2.gz IVJZSVKXBGJBQE-IBGZPJMESA-N 0 1 394.479 2.324 20 0 GEADMN CN(CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736802932 599133800 /nfs/dbraw/zinc/13/38/00/599133800.db2.gz YISQKFCRWQIVTG-SFHVURJKSA-N 0 1 394.435 2.203 20 0 GEADMN O=C(CCC1CCOCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822950412 599135226 /nfs/dbraw/zinc/13/52/26/599135226.db2.gz NGKRZXKDENAEPH-UHFFFAOYSA-N 0 1 398.511 2.108 20 0 GEADMN O=C(Oc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738246098 599153480 /nfs/dbraw/zinc/15/34/80/599153480.db2.gz ASYQHKYOQCCBIA-UHFFFAOYSA-N 0 1 394.435 2.346 20 0 GEADMN O=C(Oc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738246098 599153483 /nfs/dbraw/zinc/15/34/83/599153483.db2.gz ASYQHKYOQCCBIA-UHFFFAOYSA-N 0 1 394.435 2.346 20 0 GEADMN O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738218455 599158086 /nfs/dbraw/zinc/15/80/86/599158086.db2.gz FIEDXKSWPCBCKI-MRXNPFEDSA-N 0 1 378.436 2.331 20 0 GEADMN O=C(OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738218455 599158087 /nfs/dbraw/zinc/15/80/87/599158087.db2.gz FIEDXKSWPCBCKI-MRXNPFEDSA-N 0 1 378.436 2.331 20 0 GEADMN O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738218455 599158088 /nfs/dbraw/zinc/15/80/88/599158088.db2.gz FIEDXKSWPCBCKI-MRXNPFEDSA-N 0 1 378.436 2.331 20 0 GEADMN O=C(OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738218455 599158089 /nfs/dbraw/zinc/15/80/89/599158089.db2.gz FIEDXKSWPCBCKI-MRXNPFEDSA-N 0 1 378.436 2.331 20 0 GEADMN CCCCCN(CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C)C ZINC000736452903 599168952 /nfs/dbraw/zinc/16/89/52/599168952.db2.gz YCGVOYQLWVFTGW-HXUWFJFHSA-N 0 1 399.499 2.492 20 0 GEADMN O=C(COc1ccccc1CNCc1cccc(-c2nn[nH]n2)c1)NCC1CC1 ZINC000737929727 599177484 /nfs/dbraw/zinc/17/74/84/599177484.db2.gz HEUGNFFZEAYQNI-UHFFFAOYSA-N 0 1 392.463 2.062 20 0 GEADMN O=c1c2ccccc2ncn1CCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738378906 599234757 /nfs/dbraw/zinc/23/47/57/599234757.db2.gz BHJYDABWILRXEO-UHFFFAOYSA-N 0 1 387.447 2.241 20 0 GEADMN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000769755919 597074100 /nfs/dbraw/zinc/07/41/00/597074100.db2.gz LKRSGULWWXWNNX-HZPDHXFCSA-N 0 1 375.469 2.037 20 0 GEADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000422661483 597218328 /nfs/dbraw/zinc/21/83/28/597218328.db2.gz KBMRKLRSCBCOJW-MRXNPFEDSA-N 0 1 386.452 2.219 20 0 GEADMN Cc1c(NC(=O)N2CCC(CCN3CCOCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822083945 607288275 /nfs/dbraw/zinc/28/82/75/607288275.db2.gz FUPRFDVHGQEGAN-UHFFFAOYSA-N 0 1 399.499 2.141 20 0 GEADMN C[N@@H+](Cc1ccccc1CNC(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000666520125 597419338 /nfs/dbraw/zinc/41/93/38/597419338.db2.gz KKNIDJWXCPYIEF-IBGZPJMESA-N 0 1 389.496 2.446 20 0 GEADMN CCCN1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000821110175 599277071 /nfs/dbraw/zinc/27/70/71/599277071.db2.gz XMFVRYZQOQXHPS-UHFFFAOYSA-N 0 1 381.387 2.028 20 0 GEADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738123433 599282144 /nfs/dbraw/zinc/28/21/44/599282144.db2.gz CYQUYONBVRCDNS-UHFFFAOYSA-N 0 1 397.349 2.252 20 0 GEADMN CCOc1cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])ccc1O[C@@H](C)C(=O)N(C)C ZINC000820383312 598132315 /nfs/dbraw/zinc/13/23/15/598132315.db2.gz VROLIYWIDSLXAI-HOCLYGCPSA-N 0 1 378.469 2.380 20 0 GEADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])[NH+]2CCCC2)o1 ZINC000821069644 598174242 /nfs/dbraw/zinc/17/42/42/598174242.db2.gz GWIFFICSSTVAHO-INIZCTEOSA-N 0 1 385.420 2.178 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000821474758 598178995 /nfs/dbraw/zinc/17/89/95/598178995.db2.gz LSQJWKGUGAIZQW-WMZOPIPTSA-N 0 1 383.448 2.389 20 0 GEADMN Cc1ccc([C@@H](CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000737320489 598234231 /nfs/dbraw/zinc/23/42/31/598234231.db2.gz LLBYKFTYQRDRIJ-QGZVFWFLSA-N 0 1 396.451 2.100 20 0 GEADMN Cc1ccccc1[C@H]1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424797 598255238 /nfs/dbraw/zinc/25/52/38/598255238.db2.gz XOUBDDVITJKNOT-SFHVURJKSA-N 0 1 376.464 2.281 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000737548298 598288290 /nfs/dbraw/zinc/28/82/90/598288290.db2.gz PMUAHRDWCPEVSZ-HNNXBMFYSA-N 0 1 395.467 2.259 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000737548298 598288292 /nfs/dbraw/zinc/28/82/92/598288292.db2.gz PMUAHRDWCPEVSZ-HNNXBMFYSA-N 0 1 395.467 2.259 20 0 GEADMN COc1ccc2nc(SC[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000737121420 598367564 /nfs/dbraw/zinc/36/75/64/598367564.db2.gz YJFUTXUPEXHNDK-LBPRGKRZSA-N 0 1 398.448 2.284 20 0 GEADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000735558332 598373894 /nfs/dbraw/zinc/37/38/94/598373894.db2.gz AAWOSPLONOEPDT-RDTXWAMCSA-N 0 1 377.452 2.380 20 0 GEADMN CCOc1cc2c(cc1C=CC(=O)N=c1cc[nH]cc1-c1nn[nH]n1)O[C@H](C)C2 ZINC000736636793 598379015 /nfs/dbraw/zinc/37/90/15/598379015.db2.gz SGFXRVKZVHLQNU-QMAVJUDZSA-N 0 1 392.419 2.058 20 0 GEADMN CC(C)Cc1nc(-c2nn[nH]n2)c(NNC(=S)NCCc2cccs2)o1 ZINC000735850366 598496398 /nfs/dbraw/zinc/49/63/98/598496398.db2.gz CQGKGHKWTWQQDF-UHFFFAOYSA-N 0 1 392.514 2.148 20 0 GEADMN C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)[C@@H]1C ZINC000736262684 598503593 /nfs/dbraw/zinc/50/35/93/598503593.db2.gz PTHOKWHBMVAIBL-XJKCOSOUSA-N 0 1 380.452 2.123 20 0 GEADMN CC1(C)CN(C2(CNC(=O)c3ccc(-c4nn[nH]n4)cc3)CCCCC2)CCO1 ZINC000736213141 598534442 /nfs/dbraw/zinc/53/44/42/598534442.db2.gz INDOUIJQHCVTOI-UHFFFAOYSA-N 0 1 398.511 2.410 20 0 GEADMN CN1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736859346 598555846 /nfs/dbraw/zinc/55/58/46/598555846.db2.gz FYBIFOVEOYKVEI-SFHVURJKSA-N 0 1 378.436 2.478 20 0 GEADMN Cc1cc(C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c(C)n1Cc1cccs1 ZINC000737227711 598676923 /nfs/dbraw/zinc/67/69/23/598676923.db2.gz PSFXJPCANQAAHC-UHFFFAOYSA-N 0 1 394.460 2.439 20 0 GEADMN CSc1n[nH]c(NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)n1 ZINC000737188797 598686995 /nfs/dbraw/zinc/68/69/95/598686995.db2.gz GXACXXVYENKDHL-UHFFFAOYSA-N 0 1 395.408 2.146 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2cncc(Br)c2)c2ccccc12 ZINC000738372381 598719905 /nfs/dbraw/zinc/71/99/05/598719905.db2.gz OWXJAUVOLBGROX-UHFFFAOYSA-N 0 1 383.209 2.387 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2noc(-c3cccs3)n2)c2ccccc12 ZINC000738372891 598720556 /nfs/dbraw/zinc/72/05/56/598720556.db2.gz XYIOGGVZVLUURR-UHFFFAOYSA-N 0 1 377.389 2.341 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(C[C@@H]2CCCO2)c2ccc(Br)cc12 ZINC000738371424 598723756 /nfs/dbraw/zinc/72/37/56/598723756.db2.gz KAZXOKIUTLPWSU-JTQLQIEISA-N 0 1 376.214 2.123 20 0 GEADMN COC(=O)c1cc(F)ccc1Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736949138 598733330 /nfs/dbraw/zinc/73/33/30/598733330.db2.gz CZZXMNPLYYNWQC-UHFFFAOYSA-N 0 1 379.351 2.156 20 0 GEADMN Clc1cc(N2CCC(CCN3CCOCC3)CC2)ccc1-c1nn[nH]n1 ZINC000737563070 598748076 /nfs/dbraw/zinc/74/80/76/598748076.db2.gz FJQGMSHPKYXJEW-UHFFFAOYSA-N 0 1 376.892 2.459 20 0 GEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736250871 598766219 /nfs/dbraw/zinc/76/62/19/598766219.db2.gz NLOULJPIFZZDOA-HZPDHXFCSA-N 0 1 398.511 2.499 20 0 GEADMN C[C@H](C(=O)N1CCC(C)CC1)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736278679 598766386 /nfs/dbraw/zinc/76/63/86/598766386.db2.gz UEJWBHXPGWNZGV-MRXNPFEDSA-N 0 1 398.511 2.357 20 0 GEADMN O=C(CCN(Cc1ccco1)C[C@@H]1CCCO1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964909 599306759 /nfs/dbraw/zinc/30/67/59/599306759.db2.gz SREONIUTFMHXKP-SFHVURJKSA-N 0 1 396.451 2.470 20 0 GEADMN C[C@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820275426 599386269 /nfs/dbraw/zinc/38/62/69/599386269.db2.gz QTEQTSKBGNWXPV-BZNIZROVSA-N 0 1 386.843 2.104 20 0 GEADMN CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821399895 599397475 /nfs/dbraw/zinc/39/74/75/599397475.db2.gz DQBHZTMSNNREAQ-UHFFFAOYSA-N 0 1 383.456 2.222 20 0 GEADMN COc1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000821818085 599404545 /nfs/dbraw/zinc/40/45/45/599404545.db2.gz KLTXVQIRJMYNNI-UHFFFAOYSA-N 0 1 375.436 2.410 20 0 GEADMN O[C@@H](CN1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738383967 599430865 /nfs/dbraw/zinc/43/08/65/599430865.db2.gz YNZYRCCTVGWLIO-SFHVURJKSA-N 0 1 384.871 2.376 20 0 GEADMN Cc1cc(CN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c2ccccc2n1 ZINC000737262143 599446035 /nfs/dbraw/zinc/44/60/35/599446035.db2.gz KMMRWKMJNWMNTO-UHFFFAOYSA-N 0 1 386.463 2.441 20 0 GEADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820427143 599451230 /nfs/dbraw/zinc/45/12/30/599451230.db2.gz PHZNREMWDDIVND-NSHDSACASA-N 0 1 375.429 2.260 20 0 GEADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823797810 599475430 /nfs/dbraw/zinc/47/54/30/599475430.db2.gz SOGGEXRJSRIYSJ-HNNXBMFYSA-N 0 1 379.468 2.470 20 0 GEADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823797810 599475432 /nfs/dbraw/zinc/47/54/32/599475432.db2.gz SOGGEXRJSRIYSJ-HNNXBMFYSA-N 0 1 379.468 2.470 20 0 GEADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736230885 599477377 /nfs/dbraw/zinc/47/73/77/599477377.db2.gz ABZWSONXMGTRAJ-KDOFPFPSSA-N 0 1 394.454 2.500 20 0 GEADMN C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CCN1C[C@H](O)c1ccccc1 ZINC000820768611 599530881 /nfs/dbraw/zinc/53/08/81/599530881.db2.gz OTTVOOVISKBOMS-KUHUBIRLSA-N 0 1 382.443 2.250 20 0 GEADMN CSc1ccc(OCCN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000821984814 599560127 /nfs/dbraw/zinc/56/01/27/599560127.db2.gz UJGMASHMZIYQKO-UHFFFAOYSA-N 0 1 397.508 2.185 20 0 GEADMN C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820262247 599561605 /nfs/dbraw/zinc/56/16/05/599561605.db2.gz UAVHORZGDSZURH-AWEZNQCLSA-N 0 1 382.447 2.023 20 0 GEADMN C[C@@](CO)(NCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)C1CCCCC1 ZINC000820280785 599577915 /nfs/dbraw/zinc/57/79/15/599577915.db2.gz OPGALUCLTIWRJD-IBGZPJMESA-N 0 1 383.456 2.338 20 0 GEADMN CN(CCN1CCN(c2ccccc2)CC1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736800025 599592658 /nfs/dbraw/zinc/59/26/58/599592658.db2.gz ZCXRWEBBGWMNOB-UHFFFAOYSA-N 0 1 395.486 2.260 20 0 GEADMN C[C@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)c1cccc(-c2nn[nH]n2)c1 ZINC000820375015 599675464 /nfs/dbraw/zinc/67/54/64/599675464.db2.gz VZXYXYAJVUDDBB-LBPRGKRZSA-N 0 1 389.423 2.212 20 0 GEADMN C[C@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000820375015 599675465 /nfs/dbraw/zinc/67/54/65/599675465.db2.gz VZXYXYAJVUDDBB-LBPRGKRZSA-N 0 1 389.423 2.212 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(C)CC12CCCCC2 ZINC000820529840 599692218 /nfs/dbraw/zinc/69/22/18/599692218.db2.gz RVOJFVHGRXOKNC-OAHLLOKOSA-N 0 1 384.484 2.111 20 0 GEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000565101302 599711501 /nfs/dbraw/zinc/71/15/01/599711501.db2.gz FGRVPMFHMWLCLW-SFHVURJKSA-N 0 1 392.452 2.348 20 0 GEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000565101302 599711502 /nfs/dbraw/zinc/71/15/02/599711502.db2.gz FGRVPMFHMWLCLW-SFHVURJKSA-N 0 1 392.452 2.348 20 0 GEADMN COc1cc(-c2nnc(C[NH+]3CCC(CC(=O)[O-])CC3)o2)cc(OC)c1OC ZINC000737844895 599711975 /nfs/dbraw/zinc/71/19/75/599711975.db2.gz CAIGSIZEIDVRPC-UHFFFAOYSA-N 0 1 391.424 2.449 20 0 GEADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736206888 599720011 /nfs/dbraw/zinc/72/00/11/599720011.db2.gz ZSDMENXLJCCEST-ZBFHGGJFSA-N 0 1 397.516 2.029 20 0 GEADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736206888 599720013 /nfs/dbraw/zinc/72/00/13/599720013.db2.gz ZSDMENXLJCCEST-ZBFHGGJFSA-N 0 1 397.516 2.029 20 0 GEADMN COc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)[NH+]2CCCC2)cc1 ZINC000737957549 599765842 /nfs/dbraw/zinc/76/58/42/599765842.db2.gz NOBZBPVFDIDRRK-HNNXBMFYSA-N 0 1 394.449 2.102 20 0 GEADMN Cc1ccccc1C[N@@H+]1CCCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000738322968 599770692 /nfs/dbraw/zinc/77/06/92/599770692.db2.gz CQOIXIAIRXAFFV-GOSISDBHSA-N 0 1 387.524 2.214 20 0 GEADMN CC(C)[N@H+]1CCCN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000736474984 599773049 /nfs/dbraw/zinc/77/30/49/599773049.db2.gz QSFOMXXSHLQQAR-LJQANCHMSA-N 0 1 386.496 2.138 20 0 GEADMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)[NH+]2CCCC2)cc1 ZINC000738570393 599776096 /nfs/dbraw/zinc/77/60/96/599776096.db2.gz RDJUXTGLSGSAQB-HNNXBMFYSA-N 0 1 378.450 2.402 20 0 GEADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CN[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738769396 599782182 /nfs/dbraw/zinc/78/21/82/599782182.db2.gz APXVJPICILJJPZ-JOCHJYFZSA-N 0 1 395.503 2.445 20 0 GEADMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000263579637 599795009 /nfs/dbraw/zinc/79/50/09/599795009.db2.gz UZNAQPVYSDCHLS-QGZVFWFLSA-N 0 1 392.452 2.467 20 0 GEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000263579637 599795011 /nfs/dbraw/zinc/79/50/11/599795011.db2.gz UZNAQPVYSDCHLS-QGZVFWFLSA-N 0 1 392.452 2.467 20 0 GEADMN O=C([O-])c1coc(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000740268259 599851077 /nfs/dbraw/zinc/85/10/77/599851077.db2.gz GGTZFLCDIQKKKL-QGZVFWFLSA-N 0 1 384.480 2.407 20 0 GEADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000740268259 599851078 /nfs/dbraw/zinc/85/10/78/599851078.db2.gz GGTZFLCDIQKKKL-QGZVFWFLSA-N 0 1 384.480 2.407 20 0 GEADMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCOc1cccc(C(=O)[O-])c1 ZINC000582490821 599873985 /nfs/dbraw/zinc/87/39/85/599873985.db2.gz ONJZNSVBQNYPLQ-CYBMUJFWSA-N 0 1 378.450 2.104 20 0 GEADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736757164 599878197 /nfs/dbraw/zinc/87/81/97/599878197.db2.gz YUSOCUGQAIICJJ-IYBDPMFKSA-N 0 1 389.496 2.127 20 0 GEADMN O=C([O-])CSCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000739857070 599887961 /nfs/dbraw/zinc/88/79/61/599887961.db2.gz GRZFKDMOLLLIIQ-INIZCTEOSA-N 0 1 390.427 2.375 20 0 GEADMN CC(C)[C@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736809285 599921502 /nfs/dbraw/zinc/92/15/02/599921502.db2.gz QTKHVESIPYRRPV-RVKKMQEKSA-N 0 1 378.469 2.014 20 0 GEADMN CC(C)[C@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736809285 599921503 /nfs/dbraw/zinc/92/15/03/599921503.db2.gz QTKHVESIPYRRPV-RVKKMQEKSA-N 0 1 378.469 2.014 20 0 GEADMN C[C@@H](C[N@@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C1CC1)C(=O)[O-] ZINC000736580027 599947019 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ZINC000823713711 606469993 /nfs/dbraw/zinc/46/99/93/606469993.db2.gz INHWBMXHMFMEDA-HOCLYGCPSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823713711 606469994 /nfs/dbraw/zinc/46/99/94/606469994.db2.gz INHWBMXHMFMEDA-HOCLYGCPSA-N 0 1 399.886 2.210 20 0 GEADMN CCN1CCN(c2ccccc2NC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821277785 606483532 /nfs/dbraw/zinc/48/35/32/606483532.db2.gz YPRLUPCOCOTXOQ-UHFFFAOYSA-N 0 1 383.481 2.322 20 0 GEADMN CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)C1 ZINC000821697758 606518078 /nfs/dbraw/zinc/51/80/78/606518078.db2.gz PYZVBCCEHMKDEV-NWDGAFQWSA-N 0 1 390.513 2.102 20 0 GEADMN CO[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)C1 ZINC000821697758 606518080 /nfs/dbraw/zinc/51/80/80/606518080.db2.gz PYZVBCCEHMKDEV-NWDGAFQWSA-N 0 1 390.513 2.102 20 0 GEADMN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1(C)C ZINC000821677881 606600946 /nfs/dbraw/zinc/60/09/46/606600946.db2.gz FZFOUTOCDWZINO-ZWKOPEQDSA-N 0 1 390.513 2.147 20 0 GEADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821572126 606616273 /nfs/dbraw/zinc/61/62/73/606616273.db2.gz SCNXXYAUZVPUJC-OAHLLOKOSA-N 0 1 388.472 2.187 20 0 GEADMN CN(Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccc([S@](C)=O)cc1 ZINC000821611172 606616300 /nfs/dbraw/zinc/61/63/00/606616300.db2.gz ULQSKEDFTDLIGV-MHZLTWQESA-N 0 1 380.477 2.489 20 0 GEADMN C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C1(N2CCOCC2)CCCC1 ZINC000820321671 606639201 /nfs/dbraw/zinc/63/92/01/606639201.db2.gz KPAOXUNXBTWBOX-HLRDLLSLSA-N 0 1 396.495 2.030 20 0 GEADMN C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C1(N2CCOCC2)CCCC1 ZINC000820321670 606639269 /nfs/dbraw/zinc/63/92/69/606639269.db2.gz KPAOXUNXBTWBOX-FDMDGMSGSA-N 0 1 396.495 2.030 20 0 GEADMN CC(C)c1ccc(C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000820191899 606779243 /nfs/dbraw/zinc/77/92/43/606779243.db2.gz AAKSDWMHPVNAMW-HNNXBMFYSA-N 0 1 378.484 2.491 20 0 GEADMN CC(C)c1ccc(C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000820191899 606779244 /nfs/dbraw/zinc/77/92/44/606779244.db2.gz AAKSDWMHPVNAMW-HNNXBMFYSA-N 0 1 378.484 2.491 20 0 GEADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000823123127 606824530 /nfs/dbraw/zinc/82/45/30/606824530.db2.gz OSWJGOOQDDWRJH-LJQANCHMSA-N 0 1 392.463 2.466 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000822541275 606827113 /nfs/dbraw/zinc/82/71/13/606827113.db2.gz MTWMTCWMDMVCAA-HNNXBMFYSA-N 0 1 397.483 2.267 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000822541275 606827115 /nfs/dbraw/zinc/82/71/15/606827115.db2.gz MTWMTCWMDMVCAA-HNNXBMFYSA-N 0 1 397.483 2.267 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000822541275 606827117 /nfs/dbraw/zinc/82/71/17/606827117.db2.gz MTWMTCWMDMVCAA-HNNXBMFYSA-N 0 1 397.483 2.267 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000822541275 606827119 /nfs/dbraw/zinc/82/71/19/606827119.db2.gz MTWMTCWMDMVCAA-HNNXBMFYSA-N 0 1 397.483 2.267 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000821988251 606914502 /nfs/dbraw/zinc/91/45/02/606914502.db2.gz DIOINEIDDBBPAO-ZUZCIYMTSA-N 0 1 399.524 2.074 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000821988251 606914504 /nfs/dbraw/zinc/91/45/04/606914504.db2.gz DIOINEIDDBBPAO-ZUZCIYMTSA-N 0 1 399.524 2.074 20 0 GEADMN Cc1nc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)sc1C ZINC000822440200 606919730 /nfs/dbraw/zinc/91/97/30/606919730.db2.gz JXCAFCAVTWJOQV-UHFFFAOYSA-N 0 1 386.485 2.128 20 0 GEADMN C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820425997 606987248 /nfs/dbraw/zinc/98/72/48/606987248.db2.gz DSUNPCFUVRUQJB-GFCCVEGCSA-N 0 1 375.429 2.130 20 0 GEADMN CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000446065235 649969854 /nfs/dbraw/zinc/96/98/54/649969854.db2.gz ZRDXQDAIJAVMBH-MRXNPFEDSA-N 0 1 399.329 2.379 20 0 GEADMN C[C@@H]1CC[C@H](CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000820684586 607025465 /nfs/dbraw/zinc/02/54/65/607025465.db2.gz RNFDCJPQEALIPT-OLZOCXBDSA-N 0 1 385.472 2.207 20 0 GEADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(NS(C)(=O)=O)cc1 ZINC000820426018 607057211 /nfs/dbraw/zinc/05/72/11/607057211.db2.gz DZZDEHIBDZAJJP-LLVKDONJSA-N 0 1 390.444 2.228 20 0 GEADMN CN(CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1nc2ccccc2o1 ZINC000821597717 607098994 /nfs/dbraw/zinc/09/89/94/607098994.db2.gz FBDNAYYCCKAQMP-UHFFFAOYSA-N 0 1 377.408 2.469 20 0 GEADMN COc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)c(C)n1 ZINC000821838918 607111307 /nfs/dbraw/zinc/11/13/07/607111307.db2.gz RGTMQRMBNHXRSD-UHFFFAOYSA-N 0 1 380.817 2.033 20 0 GEADMN Cc1cc(C[C@H](C)NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000822200010 607121330 /nfs/dbraw/zinc/12/13/30/607121330.db2.gz QNRCAWVGTUJJDY-QMMMGPOBSA-N 0 1 376.877 2.469 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc(OCCF)c2)cc1-c1nn[nH]n1 ZINC000821978862 607142195 /nfs/dbraw/zinc/14/21/95/607142195.db2.gz NHKBSQWTFZBYBM-UHFFFAOYSA-N 0 1 390.400 2.290 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cnc(Cl)cc2C)cc1-c1nn[nH]n1 ZINC000821977480 607161490 /nfs/dbraw/zinc/16/14/90/607161490.db2.gz HDNVOOXUISKEBJ-UHFFFAOYSA-N 0 1 377.817 2.298 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)n[nH]1 ZINC000822199702 607213687 /nfs/dbraw/zinc/21/36/87/607213687.db2.gz DXPWHTWBZVFHGK-LBPRGKRZSA-N 0 1 380.456 2.203 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1-c1nn[nH]n1 ZINC000821988672 607225050 /nfs/dbraw/zinc/22/50/50/607225050.db2.gz GIUMOPBWQVCJGH-VIFPVBQESA-N 0 1 398.496 2.254 20 0 GEADMN CN(C)[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccc(F)c1 ZINC000821580033 607231423 /nfs/dbraw/zinc/23/14/23/607231423.db2.gz WYDCDWZYAIDJAK-AWEZNQCLSA-N 0 1 389.822 2.087 20 0 GEADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823150313 607233175 /nfs/dbraw/zinc/23/31/75/607233175.db2.gz OCHAPFSMXYBUMQ-HNNXBMFYSA-N 0 1 397.870 2.310 20 0 GEADMN CCN(CC)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccco1 ZINC000821181221 607233672 /nfs/dbraw/zinc/23/36/72/607233672.db2.gz KTLODXCGNHAQKD-CYBMUJFWSA-N 0 1 389.847 2.321 20 0 GEADMN Cc1ccc2c(c1)CC[C@@H]2NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826294528 607815291 /nfs/dbraw/zinc/81/52/91/607815291.db2.gz UHAGOKOVRPNTAO-SFHVURJKSA-N 0 1 383.477 2.226 20 0 GEADMN O=S(=O)(CCN1CC[C@H](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484895 607829458 /nfs/dbraw/zinc/82/94/58/607829458.db2.gz TYMNXQGQCVJKLV-QGZVFWFLSA-N 0 1 397.504 2.205 20 0 GEADMN CCc1nc(-c2ccccc2NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000825740163 607879747 /nfs/dbraw/zinc/87/97/47/607879747.db2.gz PMLJMPZFZQFHGW-UHFFFAOYSA-N 0 1 396.436 2.015 20 0 GEADMN CC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1c(C)noc1C ZINC000825134640 607962438 /nfs/dbraw/zinc/96/24/38/607962438.db2.gz VYMRAGRNKUSQNN-NSHDSACASA-N 0 1 389.441 2.175 20 0 GEADMN CCCCOc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825291558 608019290 /nfs/dbraw/zinc/01/92/90/608019290.db2.gz TVZZPVPOHNWWBA-UHFFFAOYSA-N 0 1 398.471 2.173 20 0 GEADMN CCCCOc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825291558 608019291 /nfs/dbraw/zinc/01/92/91/608019291.db2.gz TVZZPVPOHNWWBA-UHFFFAOYSA-N 0 1 398.471 2.173 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077656 608019654 /nfs/dbraw/zinc/01/96/54/608019654.db2.gz PNMVZNGMJAZWGO-CQSZACIVSA-N 0 1 394.483 2.191 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077656 608019655 /nfs/dbraw/zinc/01/96/55/608019655.db2.gz PNMVZNGMJAZWGO-CQSZACIVSA-N 0 1 394.483 2.191 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826077689 608019681 /nfs/dbraw/zinc/01/96/81/608019681.db2.gz QREHONILLMGGNP-LLVKDONJSA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826077689 608019682 /nfs/dbraw/zinc/01/96/82/608019682.db2.gz QREHONILLMGGNP-LLVKDONJSA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826083064 608020980 /nfs/dbraw/zinc/02/09/80/608020980.db2.gz HUUOONNSHHJQEH-UHFFFAOYSA-N 0 1 398.471 2.029 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826083064 608020981 /nfs/dbraw/zinc/02/09/81/608020981.db2.gz HUUOONNSHHJQEH-UHFFFAOYSA-N 0 1 398.471 2.029 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCC(C)(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826077576 608021363 /nfs/dbraw/zinc/02/13/63/608021363.db2.gz NAGREMQPVIGOAP-UHFFFAOYSA-N 0 1 396.499 2.438 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCC(C)(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826077576 608021364 /nfs/dbraw/zinc/02/13/64/608021364.db2.gz NAGREMQPVIGOAP-UHFFFAOYSA-N 0 1 396.499 2.438 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1-c1nnn[n-]1 ZINC000826083574 608021596 /nfs/dbraw/zinc/02/15/96/608021596.db2.gz NITBHSQLZZPKEF-UHFFFAOYSA-N 0 1 399.846 2.129 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1-c1nn[n-]n1 ZINC000826083574 608021597 /nfs/dbraw/zinc/02/15/97/608021597.db2.gz NITBHSQLZZPKEF-UHFFFAOYSA-N 0 1 399.846 2.129 20 0 GEADMN c1cc(-c2nn[nH]n2)cc([C@H]2CN(CCc3ccc4c(c3)CCO4)CCO2)c1 ZINC000826513590 608068415 /nfs/dbraw/zinc/06/84/15/608068415.db2.gz PSRDUIPHQCAOCL-HXUWFJFHSA-N 0 1 377.448 2.418 20 0 GEADMN Cc1cccc2nc(CNC(=O)N(C)Cc3cccc(-c4nn[nH]n4)c3)[nH]c21 ZINC000826304402 608240649 /nfs/dbraw/zinc/24/06/49/608240649.db2.gz KBCNALZGWLXTFI-UHFFFAOYSA-N 0 1 376.424 2.393 20 0 GEADMN CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825192825 608264062 /nfs/dbraw/zinc/26/40/62/608264062.db2.gz JFGUIRPGHDCKSA-KBPBESRZSA-N 0 1 380.456 2.254 20 0 GEADMN CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825192825 608264065 /nfs/dbraw/zinc/26/40/65/608264065.db2.gz JFGUIRPGHDCKSA-KBPBESRZSA-N 0 1 380.456 2.254 20 0 GEADMN CC(C)Oc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000824334653 608293877 /nfs/dbraw/zinc/29/38/77/608293877.db2.gz ZXDNURAJQNDPJE-UHFFFAOYSA-N 0 1 375.410 2.160 20 0 GEADMN CCN1C[C@@H](C)N(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C[C@H]1C ZINC000825444194 608314952 /nfs/dbraw/zinc/31/49/52/608314952.db2.gz JWUFINLWZRMJPB-CHWSQXEVSA-N 0 1 383.456 2.114 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC000826332310 608317514 /nfs/dbraw/zinc/31/75/14/608317514.db2.gz PSUVPARDGLMUMD-AEFFLSMTSA-N 0 1 392.511 2.277 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC000826332310 608317515 /nfs/dbraw/zinc/31/75/15/608317515.db2.gz PSUVPARDGLMUMD-AEFFLSMTSA-N 0 1 392.511 2.277 20 0 GEADMN c1cc2c(ccnc2N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000826518922 608366818 /nfs/dbraw/zinc/36/68/18/608366818.db2.gz COWXUMZDIGXCLB-UHFFFAOYSA-N 0 1 378.396 2.200 20 0 GEADMN 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/nfs/dbraw/zinc/46/90/09/652469009.db2.gz SCDBLQNJNCJBOX-UWVGGRQHSA-N 0 1 375.206 2.230 20 0 GEADMN O=C(c1cccc(I)c1O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000755581243 652469562 /nfs/dbraw/zinc/46/95/62/652469562.db2.gz VTTJDJPYHXHVDI-GHMZBOCLSA-N 0 1 387.217 2.495 20 0 GEADMN C[C@@H]1C[NH+](CCCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@@H](C)O1 ZINC000662688569 652470862 /nfs/dbraw/zinc/47/08/62/652470862.db2.gz QIDOVXDHWBLMPQ-CKEIUWERSA-N 0 1 398.345 2.455 20 0 GEADMN CC(C)(C)N1C[C@H](CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1=O ZINC000662707650 652471262 /nfs/dbraw/zinc/47/12/62/652471262.db2.gz GKVJOONAMQRWFR-SGTLLEGYSA-N 0 1 396.329 2.386 20 0 GEADMN Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H](N)CCS(C)(=O)=O ZINC000662858805 652476238 /nfs/dbraw/zinc/47/62/38/652476238.db2.gz KNIRPKPXMGLOLP-JTQLQIEISA-N 0 1 383.695 2.111 20 0 GEADMN CN(C)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968860 652476709 /nfs/dbraw/zinc/47/67/09/652476709.db2.gz UDBIBZIIDIZGGT-CQSZACIVSA-N 0 1 386.279 2.251 20 0 GEADMN N[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[C@H]1F ZINC000662926739 652479011 /nfs/dbraw/zinc/47/90/11/652479011.db2.gz VZHVXPOTDHQNEA-HUUCEWRRSA-N 0 1 388.270 2.382 20 0 GEADMN COC(=O)c1nscc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1 ZINC000755967997 652482807 /nfs/dbraw/zinc/48/28/07/652482807.db2.gz IEQOUJZLSOWLNC-UHFFFAOYSA-N 0 1 382.398 2.055 20 0 GEADMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c1Br ZINC000755979755 652483074 /nfs/dbraw/zinc/48/30/74/652483074.db2.gz KGXJJYURJAUDPG-JTQLQIEISA-N 0 1 382.214 2.188 20 0 GEADMN CNS(=O)(=O)c1cccc(NC(=O)CNCc2ccc(F)c(Cl)c2)c1 ZINC000756025621 652485355 /nfs/dbraw/zinc/48/53/55/652485355.db2.gz MTARMQMPQGKMFM-UHFFFAOYSA-N 0 1 385.848 2.116 20 0 GEADMN O=C1C[C@H](N2CC[C@@H]3COC[C@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000663220584 652485802 /nfs/dbraw/zinc/48/58/02/652485802.db2.gz ITUMJJCYIDSZTK-JMSVASOKSA-N 0 1 379.254 2.049 20 0 GEADMN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@H](C)c2nnc[nH]2)cc1 ZINC000756107023 652488437 /nfs/dbraw/zinc/48/84/37/652488437.db2.gz OGAKBTHNERXXGG-PWSUYJOCSA-N 0 1 377.246 2.278 20 0 GEADMN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000583551648 652489390 /nfs/dbraw/zinc/48/93/90/652489390.db2.gz USTKUGJYVUBETG-LBPRGKRZSA-N 0 1 383.539 2.207 20 0 GEADMN CSc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)cn1 ZINC000629348113 652492123 /nfs/dbraw/zinc/49/21/23/652492123.db2.gz OZRWPCSTBSULLB-UHFFFAOYSA-N 0 1 375.475 2.440 20 0 GEADMN CCOc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)CC)c2)nc1C ZINC000663301890 652492460 /nfs/dbraw/zinc/49/24/60/652492460.db2.gz RMDYKVUBBOQTLD-UHFFFAOYSA-N 0 1 384.479 2.383 20 0 GEADMN Cc1cc(C(C)(C)C(=O)NC[C@@H]2CN(C)CCN2C)ccc1Br ZINC000583698437 652494851 /nfs/dbraw/zinc/49/48/51/652494851.db2.gz AHUHDGQCGKUEPT-OAHLLOKOSA-N 0 1 382.346 2.397 20 0 GEADMN O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)c1cccnc1Br ZINC000756251735 652495079 /nfs/dbraw/zinc/49/50/79/652495079.db2.gz PJKATKBDJAZNQA-UHFFFAOYSA-N 0 1 396.222 2.023 20 0 GEADMN O[C@@H](CNCc1c(Br)cncc1Br)[C@@H]1CCOC1 ZINC000583877781 652501138 /nfs/dbraw/zinc/50/11/38/652501138.db2.gz XXEXWPLMVFLVFG-PELKAZGASA-N 0 1 380.080 2.094 20 0 GEADMN O=C(CCC[S@](=O)c1ccc(Br)cc1)NCCCc1nc[nH]n1 ZINC000584074785 652508205 /nfs/dbraw/zinc/50/82/05/652508205.db2.gz DTUNWUBGEOHEEM-QHCPKHFHSA-N 0 1 399.314 2.204 20 0 GEADMN C[C@@H]1SCCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)[C@H]1C ZINC000584077070 652508251 /nfs/dbraw/zinc/50/82/51/652508251.db2.gz YUQBDPMVJIRTPY-HEHGZKQESA-N 0 1 383.945 2.411 20 0 GEADMN COCc1nc(CNC(=O)NCc2c(C)cc(Br)cc2C)n[nH]1 ZINC000663868145 652513968 /nfs/dbraw/zinc/51/39/68/652513968.db2.gz NUBNHRZRMOAUMJ-UHFFFAOYSA-N 0 1 382.262 2.330 20 0 GEADMN COCc1nnc(CNC(=O)NCc2c(C)cc(Br)cc2C)[nH]1 ZINC000663868145 652513972 /nfs/dbraw/zinc/51/39/72/652513972.db2.gz NUBNHRZRMOAUMJ-UHFFFAOYSA-N 0 1 382.262 2.330 20 0 GEADMN Cc1nc(S(=O)(=O)NCCc2ccc(C)cn2)sc1Br ZINC000584280433 652514975 /nfs/dbraw/zinc/51/49/75/652514975.db2.gz DPUIXADIXHWNGG-UHFFFAOYSA-N 0 1 376.301 2.438 20 0 GEADMN O=C([O-])C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000584296965 652515799 /nfs/dbraw/zinc/51/57/99/652515799.db2.gz PVEBXYXTRKGXGB-CYBMUJFWSA-N 0 1 379.400 2.417 20 0 GEADMN COCCc1ncc(CNCCNS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000631053013 652519249 /nfs/dbraw/zinc/51/92/49/652519249.db2.gz HLXGUYPPVLWQAB-UHFFFAOYSA-N 0 1 389.930 2.054 20 0 GEADMN COCCO[C@@H]1COCC[C@H]1NCc1ncc(Br)cc1Cl ZINC000631114341 652520494 /nfs/dbraw/zinc/52/04/94/652520494.db2.gz BTLRKOFGVLMRHF-TZMCWYRMSA-N 0 1 379.682 2.408 20 0 GEADMN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000631518247 652526724 /nfs/dbraw/zinc/52/67/24/652526724.db2.gz QMCVHXXXHYCKJB-ZDUSSCGKSA-N 0 1 392.301 2.405 20 0 GEADMN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000631518247 652526728 /nfs/dbraw/zinc/52/67/28/652526728.db2.gz QMCVHXXXHYCKJB-ZDUSSCGKSA-N 0 1 392.301 2.405 20 0 GEADMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cn(-c2ccccc2Br)nn1 ZINC000584809343 652530357 /nfs/dbraw/zinc/53/03/57/652530357.db2.gz GLHZAKDJSGDDKY-OCCSQVGLSA-N 0 1 378.274 2.034 20 0 GEADMN CCN(CC)CCS(=O)(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000584809368 652530371 /nfs/dbraw/zinc/53/03/71/652530371.db2.gz GXKHXNFYIQFTEI-HNNXBMFYSA-N 0 1 383.539 2.341 20 0 GEADMN CN1CCN(CCCS(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000631669862 652530905 /nfs/dbraw/zinc/53/09/05/652530905.db2.gz OPRZHXJADKESJV-SFHVURJKSA-N 0 1 385.961 2.348 20 0 GEADMN NC(=O)[C@H](OC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Br)cc1 ZINC000758141221 652531376 /nfs/dbraw/zinc/53/13/76/652531376.db2.gz YTBYJFZWSLMJHD-SMDDNHRTSA-N 0 1 378.226 2.362 20 0 GEADMN C[C@@H](NCC[C@@H](O)C(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000631699232 652531415 /nfs/dbraw/zinc/53/14/15/652531415.db2.gz ISVBXXQGQVVULD-LHLIQPBNSA-N 0 1 377.240 2.308 20 0 GEADMN COC(=O)c1ccc(CN2CCN(C(C)(C)CO)CC2)c(Br)c1 ZINC000585765732 652537374 /nfs/dbraw/zinc/53/73/74/652537374.db2.gz GJPLPWNWESFKEO-UHFFFAOYSA-N 0 1 385.302 2.124 20 0 GEADMN COCc1nc(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)n[nH]1 ZINC000664850164 652541268 /nfs/dbraw/zinc/54/12/68/652541268.db2.gz IAJARTOCJYDUEK-AWEZNQCLSA-N 0 1 395.261 2.059 20 0 GEADMN COCc1nnc(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)[nH]1 ZINC000664850164 652541273 /nfs/dbraw/zinc/54/12/73/652541273.db2.gz IAJARTOCJYDUEK-AWEZNQCLSA-N 0 1 395.261 2.059 20 0 GEADMN CCc1nc(CNC(=O)N2CCN(c3ccc(Br)cc3)CC2)n[nH]1 ZINC000664973259 652544748 /nfs/dbraw/zinc/54/47/48/652544748.db2.gz KEHAKKVHCOYGDM-UHFFFAOYSA-N 0 1 393.289 2.161 20 0 GEADMN C[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)c1c(F)cccc1Cl ZINC000632064535 652548187 /nfs/dbraw/zinc/54/81/87/652548187.db2.gz QTPVKSUOKFWVJN-CYBMUJFWSA-N 0 1 377.913 2.097 20 0 GEADMN O=S(=O)(NCCC1CCN(CC(F)(F)F)CC1)c1cc(O)cc(F)c1 ZINC000632068262 652549207 /nfs/dbraw/zinc/54/92/07/652549207.db2.gz GYXRAWGXTBYRLP-UHFFFAOYSA-N 0 1 384.395 2.474 20 0 GEADMN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCCc1nc[nH]n1 ZINC000632079949 652549912 /nfs/dbraw/zinc/54/99/12/652549912.db2.gz JDAFDTXJNAACIF-UHFFFAOYSA-N 0 1 379.667 2.050 20 0 GEADMN Cc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(Br)o3)C2=O)cc1 ZINC000759050546 652561354 /nfs/dbraw/zinc/56/13/54/652561354.db2.gz SAFBJUACJVOUCP-LBPRGKRZSA-N 0 1 399.266 2.434 20 0 GEADMN CS(=O)(=O)c1c(F)cc(NS(=O)(=O)CCc2ccccc2)cc1F ZINC000589439790 652566990 /nfs/dbraw/zinc/56/69/90/652566990.db2.gz LBXUTUYIJODGAT-UHFFFAOYSA-N 0 1 375.418 2.353 20 0 GEADMN CN1C[C@@H]2CCN(C(=O)CCC[S@@](=O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000590046516 652573344 /nfs/dbraw/zinc/57/33/44/652573344.db2.gz GIBQBAWUUWQLKV-IBRHDDFTSA-N 0 1 399.354 2.499 20 0 GEADMN Cc1csc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1I ZINC000590044770 652573482 /nfs/dbraw/zinc/57/34/82/652573482.db2.gz NGZBAGOPSOJWQM-VHSXEESVSA-N 0 1 376.263 2.437 20 0 GEADMN COC(=O)c1cccc(Br)c1CN1CCN(CCO)C(C)(C)C1 ZINC000590116601 652575184 /nfs/dbraw/zinc/57/51/84/652575184.db2.gz XDOPYUFUEZMECS-UHFFFAOYSA-N 0 1 385.302 2.124 20 0 GEADMN COC[C@@H](C)NC(=O)NC(=O)CN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000590192496 652576412 /nfs/dbraw/zinc/57/64/12/652576412.db2.gz DJYOXTMZLWLWRY-ZJUUUORDSA-N 0 1 390.253 2.100 20 0 GEADMN CCC(C)(C)N1CCN(C(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000666698408 652585114 /nfs/dbraw/zinc/58/51/14/652585114.db2.gz MFDHPRRXKPRFMX-UHFFFAOYSA-N 0 1 385.306 2.486 20 0 GEADMN COC(=O)[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccnn1C ZINC000592171264 652589661 /nfs/dbraw/zinc/58/96/61/652589661.db2.gz VHFAPSQNYGIZGB-CQSZACIVSA-N 0 1 378.230 2.063 20 0 GEADMN O=C(NCCN1CCCOCC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633265992 652590449 /nfs/dbraw/zinc/59/04/49/652590449.db2.gz MCRYZPWPVDJZSE-HYVNUMGLSA-N 0 1 394.313 2.109 20 0 GEADMN COC(=O)[C@H]1CNCCCN1C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000592550090 652599557 /nfs/dbraw/zinc/59/95/57/652599557.db2.gz FNLNGQYRENHHHZ-CMPLNLGQSA-N 0 1 375.252 2.124 20 0 GEADMN COC(=O)[C@H]1CNCCCN1C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000592551708 652599808 /nfs/dbraw/zinc/59/98/08/652599808.db2.gz XNTRQQNJBHPYOD-CYBMUJFWSA-N 0 1 376.400 2.161 20 0 GEADMN CC[C@H](Cc1ccccc1Br)C(=O)N1CCCNC[C@@H]1C(=O)OC ZINC000592553350 652600321 /nfs/dbraw/zinc/60/03/21/652600321.db2.gz JSSACWIKLBVPNA-CZUORRHYSA-N 0 1 397.313 2.381 20 0 GEADMN COC(=O)[C@@H]1CNCCCN1C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000592557303 652600402 /nfs/dbraw/zinc/60/04/02/652600402.db2.gz YZGSMOGMDGVJPC-HZMBPMFUSA-N 0 1 375.252 2.124 20 0 GEADMN O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCc2[nH]cnc2C1 ZINC000667306023 652600601 /nfs/dbraw/zinc/60/06/01/652600601.db2.gz HIOVBRVQUBIALH-LLVKDONJSA-N 0 1 392.253 2.365 20 0 GEADMN CCc1n[nH]c(C(=O)N2CCc3nc[nH]c3C23CCOCC3)c1Br ZINC000633527293 652601442 /nfs/dbraw/zinc/60/14/42/652601442.db2.gz PIACIRUOFBLZBD-UHFFFAOYSA-N 0 1 394.273 2.162 20 0 GEADMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1ccoc1Br ZINC000633531461 652601821 /nfs/dbraw/zinc/60/18/21/652601821.db2.gz YYFDEZNWJBHPBL-ZDUSSCGKSA-N 0 1 376.214 2.287 20 0 GEADMN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CCCc2n[nH]nc21 ZINC000667425535 652605282 /nfs/dbraw/zinc/60/52/82/652605282.db2.gz 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QKUSHNDMZIGVEZ-UHFFFAOYSA-N 0 1 376.380 2.125 20 0 GEADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738175966 599032486 /nfs/dbraw/zinc/03/24/86/599032486.db2.gz ROXKAOIVXQDJNF-UHFFFAOYSA-N 0 1 383.375 2.452 20 0 GEADMN CN(C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)[C@H]1CCCN(C)C1 ZINC000736858522 599091268 /nfs/dbraw/zinc/09/12/68/599091268.db2.gz SJUTVRIDWAFJRM-HNNXBMFYSA-N 0 1 396.451 2.205 20 0 GEADMN CCCCn1c(=O)[nH]nc1SCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736467616 599159611 /nfs/dbraw/zinc/15/96/11/599159611.db2.gz HQVOPFFLPFHYDH-UHFFFAOYSA-N 0 1 399.440 2.306 20 0 GEADMN C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736203994 599162451 /nfs/dbraw/zinc/16/24/51/599162451.db2.gz PCPQGDYSEWHVLJ-CQSZACIVSA-N 0 1 377.452 2.217 20 0 GEADMN C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736203994 599162453 /nfs/dbraw/zinc/16/24/53/599162453.db2.gz PCPQGDYSEWHVLJ-CQSZACIVSA-N 0 1 377.452 2.217 20 0 GEADMN Cc1cc(N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C2CC2)n1 ZINC000737273189 599169124 /nfs/dbraw/zinc/16/91/24/599169124.db2.gz YSSQGESDRJNPFB-UHFFFAOYSA-N 0 1 376.468 2.165 20 0 GEADMN CC(C)(C)C1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735595523 599180358 /nfs/dbraw/zinc/18/03/58/599180358.db2.gz GHLBHORFTJUKNQ-INIZCTEOSA-N 0 1 382.468 2.257 20 0 GEADMN COc1cc(CN2CCC[C@@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045214 599207883 /nfs/dbraw/zinc/20/78/83/599207883.db2.gz GOJVOAFRCCRDQQ-GOSISDBHSA-N 0 1 395.463 2.411 20 0 GEADMN C[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736193819 599221456 /nfs/dbraw/zinc/22/14/56/599221456.db2.gz TWJZIOQIBQQHPQ-JTQLQIEISA-N 0 1 393.436 2.166 20 0 GEADMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736291199 599226054 /nfs/dbraw/zinc/22/60/54/599226054.db2.gz FGURWYMZUXBJOX-YOEHRIQHSA-N 0 1 386.525 2.185 20 0 GEADMN O=C([O-])C1CC[NH+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000740482122 596915825 /nfs/dbraw/zinc/91/58/25/596915825.db2.gz CYFLIDLWLBZBSS-UHFFFAOYSA-N 0 1 393.443 2.236 20 0 GEADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818603275 597070023 /nfs/dbraw/zinc/07/00/23/597070023.db2.gz ASBGKGZMWCISIF-TZMCWYRMSA-N 0 1 377.441 2.167 20 0 GEADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818603268 597070681 /nfs/dbraw/zinc/07/06/81/597070681.db2.gz ASBGKGZMWCISIF-GXTWGEPZSA-N 0 1 377.441 2.167 20 0 GEADMN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000769755917 597073748 /nfs/dbraw/zinc/07/37/48/597073748.db2.gz LKRSGULWWXWNNX-CVEARBPZSA-N 0 1 375.469 2.037 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000533202803 597080106 /nfs/dbraw/zinc/08/01/06/597080106.db2.gz LSBLZCPPHMGNNY-GFCCVEGCSA-N 0 1 377.832 2.046 20 0 GEADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000769756421 597084431 /nfs/dbraw/zinc/08/44/31/597084431.db2.gz SLXZWMRUKGYOAW-ZACQAIPSSA-N 0 1 389.496 2.425 20 0 GEADMN CC[NH+]1CCC(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000736565601 599243211 /nfs/dbraw/zinc/24/32/11/599243211.db2.gz MJJGPCBEWBTFGC-UHFFFAOYSA-N 0 1 397.483 2.411 20 0 GEADMN CC[NH+]1CCC(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000736565601 599243214 /nfs/dbraw/zinc/24/32/14/599243214.db2.gz MJJGPCBEWBTFGC-UHFFFAOYSA-N 0 1 397.483 2.411 20 0 GEADMN O=C([O-])Cc1cccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000738625265 597201708 /nfs/dbraw/zinc/20/17/08/597201708.db2.gz KAWWHNYRJYIYRJ-UHFFFAOYSA-N 0 1 383.448 2.468 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000821516859 597394505 /nfs/dbraw/zinc/39/45/05/597394505.db2.gz ZSUMWLFJPLGQCE-NSHDSACASA-N 0 1 380.242 2.303 20 0 GEADMN C[NH+](C)CCn1c(=O)oc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc21 ZINC000821587421 607314916 /nfs/dbraw/zinc/31/49/16/607314916.db2.gz WMNCKHMKDMAFNS-UHFFFAOYSA-N 0 1 385.453 2.010 20 0 GEADMN COc1cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc(I)c1OC ZINC000820763996 598130475 /nfs/dbraw/zinc/13/04/75/598130475.db2.gz RIVPDXNUKDAJJN-SNVBAGLBSA-N 0 1 391.205 2.215 20 0 GEADMN COc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc(I)c1OC ZINC000820763996 598130477 /nfs/dbraw/zinc/13/04/77/598130477.db2.gz RIVPDXNUKDAJJN-SNVBAGLBSA-N 0 1 391.205 2.215 20 0 GEADMN COc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc(I)c1OC ZINC000820763995 598130598 /nfs/dbraw/zinc/13/05/98/598130598.db2.gz RIVPDXNUKDAJJN-JTQLQIEISA-N 0 1 391.205 2.215 20 0 GEADMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc(I)c1OC ZINC000820763995 598130600 /nfs/dbraw/zinc/13/06/00/598130600.db2.gz RIVPDXNUKDAJJN-JTQLQIEISA-N 0 1 391.205 2.215 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821474831 598173303 /nfs/dbraw/zinc/17/33/03/598173303.db2.gz NICPFPWZQZDEDL-INIZCTEOSA-N 0 1 381.432 2.104 20 0 GEADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000737639725 598256896 /nfs/dbraw/zinc/25/68/96/598256896.db2.gz FMKOCEFGUYJGLS-UHFFFAOYSA-N 0 1 388.369 2.097 20 0 GEADMN CC[NH+](CC)CCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736530539 598287702 /nfs/dbraw/zinc/28/77/02/598287702.db2.gz JQIKFKWXKYUOSY-UHFFFAOYSA-N 0 1 385.472 2.411 20 0 GEADMN CC[NH+](CC)CCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736530539 598287703 /nfs/dbraw/zinc/28/77/03/598287703.db2.gz JQIKFKWXKYUOSY-UHFFFAOYSA-N 0 1 385.472 2.411 20 0 GEADMN Cc1cc(F)ccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822204540 607349653 /nfs/dbraw/zinc/34/96/53/607349653.db2.gz SFXUKTIWKUBXNL-UHFFFAOYSA-N 0 1 397.414 2.142 20 0 GEADMN COc1ccc(Nc2nnc(Sc3nccnc3-c3nn[nH]n3)s2)cc1 ZINC000737105019 598337745 /nfs/dbraw/zinc/33/77/45/598337745.db2.gz CIIYPXWWSZDJFF-UHFFFAOYSA-N 0 1 385.438 2.412 20 0 GEADMN Fc1ccc(CNc2nnc(Sc3nccnc3-c3nn[nH]n3)s2)cc1 ZINC000737647354 598339609 /nfs/dbraw/zinc/33/96/09/598339609.db2.gz CJEWCXMFATURNH-UHFFFAOYSA-N 0 1 387.429 2.411 20 0 GEADMN C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C[C@H](O)c1ccccc1 ZINC000736284687 598365787 /nfs/dbraw/zinc/36/57/87/598365787.db2.gz CVZVYVPIHHVEDH-YWZLYKJASA-N 0 1 396.470 2.246 20 0 GEADMN O=C(CN1CCC[C@H](Cc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737878100 598373046 /nfs/dbraw/zinc/37/30/46/598373046.db2.gz YNBNWDWBYFGAQB-LJQANCHMSA-N 0 1 390.491 2.438 20 0 GEADMN COc1ccnc(CN2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737155294 598403443 /nfs/dbraw/zinc/40/34/43/598403443.db2.gz HBVOVSHDMVAVAL-UHFFFAOYSA-N 0 1 393.451 2.121 20 0 GEADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737343148 598451294 /nfs/dbraw/zinc/45/12/94/598451294.db2.gz WAKQDCUCELUUJS-UHFFFAOYSA-N 0 1 395.492 2.371 20 0 GEADMN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736250755 598469512 /nfs/dbraw/zinc/46/95/12/598469512.db2.gz MDPDIACUAMBCOL-RYUDHWBXSA-N 0 1 398.920 2.061 20 0 GEADMN C[C@@H]1CCC[C@H](NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)[C@H]1C ZINC000736262683 598503418 /nfs/dbraw/zinc/50/34/18/598503418.db2.gz PTHOKWHBMVAIBL-WWGRRREGSA-N 0 1 380.452 2.123 20 0 GEADMN CCOc1ccccc1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736655231 598503539 /nfs/dbraw/zinc/50/35/39/598503539.db2.gz QVENANYPIWUXNN-UHFFFAOYSA-N 0 1 390.403 2.219 20 0 GEADMN C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)[C@H]1C ZINC000736262680 598503713 /nfs/dbraw/zinc/50/37/13/598503713.db2.gz PTHOKWHBMVAIBL-DVOMOZLQSA-N 0 1 380.452 2.123 20 0 GEADMN CCCO[C@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736489616 598507399 /nfs/dbraw/zinc/50/73/99/598507399.db2.gz XRUHRWGQTRSWFF-ZWKOTPCHSA-N 0 1 384.484 2.253 20 0 GEADMN CCNC(=O)[C@H](C)NCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736573492 598560085 /nfs/dbraw/zinc/56/00/85/598560085.db2.gz IZLSKJYPDYNVEE-AWEZNQCLSA-N 0 1 380.452 2.060 20 0 GEADMN Cc1ccc(Oc2nccnc2-c2nn[nH]n2)c(I)c1 ZINC000822266468 599687669 /nfs/dbraw/zinc/68/76/69/599687669.db2.gz AOMLTDQBEJHLIO-UHFFFAOYSA-N 0 1 380.149 2.362 20 0 GEADMN COc1ccc(C2(NC(=O)c3cc(-c4nn[nH]n4)c(SC)[nH]c3=O)CC2)cc1 ZINC000737078500 598614310 /nfs/dbraw/zinc/61/43/10/598614310.db2.gz YMRJGHFDEAJTLH-UHFFFAOYSA-N 0 1 398.448 2.117 20 0 GEADMN CN(C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cccs1 ZINC000736760129 598624764 /nfs/dbraw/zinc/62/47/64/598624764.db2.gz PLJSHGNNDRZKPI-CYBMUJFWSA-N 0 1 375.433 2.492 20 0 GEADMN CCCCOc1ccc(-c2nnc(Cn3cccc(-c4nn[nH]n4)c3=O)o2)cc1 ZINC000736462792 598675849 /nfs/dbraw/zinc/67/58/49/598675849.db2.gz HQMFXUOPOJKPKS-UHFFFAOYSA-N 0 1 393.407 2.306 20 0 GEADMN CCc1ccc(CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)s1 ZINC000736693212 598719336 /nfs/dbraw/zinc/71/93/36/598719336.db2.gz ZHJBNRVSUNHPMK-UHFFFAOYSA-N 0 1 394.460 2.122 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)NCc1ccccc1 ZINC000737981078 598721776 /nfs/dbraw/zinc/72/17/76/598721776.db2.gz IIVXWOPXKXNJCI-UHFFFAOYSA-N 0 1 394.822 2.151 20 0 GEADMN Cc1cc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Br)ccc32)on1 ZINC000737262499 598722622 /nfs/dbraw/zinc/72/26/22/598722622.db2.gz HYYNSAFONCLKRG-UHFFFAOYSA-N 0 1 387.197 2.289 20 0 GEADMN O=C(OCC1CC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000738217971 598727872 /nfs/dbraw/zinc/72/78/72/598727872.db2.gz BLTQYAYTQAIAEN-UHFFFAOYSA-N 0 1 384.396 2.284 20 0 GEADMN O=C(CN(Cc1cccc(O)c1)CC1CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737865363 598819662 /nfs/dbraw/zinc/81/96/62/598819662.db2.gz UEDLRPHJRJFEMK-UHFFFAOYSA-N 0 1 392.463 2.101 20 0 GEADMN Cc1noc2ncc(NS(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)cc12 ZINC000822530609 599305309 /nfs/dbraw/zinc/30/53/09/599305309.db2.gz JKNMUUQRZFJWQK-UHFFFAOYSA-N 0 1 391.800 2.166 20 0 GEADMN Cc1cc(C)cc([C@@H](O)CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822196514 599306049 /nfs/dbraw/zinc/30/60/49/599306049.db2.gz MAJQDDYLHPZCIJ-FQEVSTJZSA-N 0 1 378.480 2.339 20 0 GEADMN O=C1O[C@H](Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)CN1c1ccccc1 ZINC000738318531 599340514 /nfs/dbraw/zinc/34/05/14/599340514.db2.gz KCZWNWYYMKCEIY-CQSZACIVSA-N 0 1 388.387 2.207 20 0 GEADMN CC(C)[C@@H](CNc1ccc(Br)cc1-c1nn[nH]n1)N1CCOCC1 ZINC000735710518 599360905 /nfs/dbraw/zinc/36/09/05/599360905.db2.gz UUZLUCNNVOSBMS-OAHLLOKOSA-N 0 1 395.305 2.398 20 0 GEADMN Clc1ccccc1[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)N1CCOCC1 ZINC000822586349 599399372 /nfs/dbraw/zinc/39/93/72/599399372.db2.gz WFIZZJYFVMRAEY-INIZCTEOSA-N 0 1 388.859 2.276 20 0 GEADMN O=C(CCc1ccccc1)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000822983292 599407750 /nfs/dbraw/zinc/40/77/50/599407750.db2.gz PGLWYUSCTDHFAS-UHFFFAOYSA-N 0 1 380.452 2.173 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000821978126 599445762 /nfs/dbraw/zinc/44/57/62/599445762.db2.gz JGBKODRNQVIGDE-SMDDNHRTSA-N 0 1 382.449 2.050 20 0 GEADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736238738 599478290 /nfs/dbraw/zinc/47/82/90/599478290.db2.gz ZVVXCAAAYSSCPF-RDTXWAMCSA-N 0 1 394.454 2.500 20 0 GEADMN CC[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736403809 599581143 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0 1 388.497 2.205 20 0 GEADMN O=C([O-])c1cccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1 ZINC000740212151 599705269 /nfs/dbraw/zinc/70/52/69/599705269.db2.gz CIUDMWNEJQUKBS-UHFFFAOYSA-N 0 1 383.448 2.145 20 0 GEADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000565101301 599711268 /nfs/dbraw/zinc/71/12/68/599711268.db2.gz FGRVPMFHMWLCLW-GOSISDBHSA-N 0 1 392.452 2.348 20 0 GEADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000565101301 599711270 /nfs/dbraw/zinc/71/12/70/599711270.db2.gz FGRVPMFHMWLCLW-GOSISDBHSA-N 0 1 392.452 2.348 20 0 GEADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)c2C(=O)[O-])C1 ZINC000736802205 599711996 /nfs/dbraw/zinc/71/19/96/599711996.db2.gz NFNYKVDGHMFTPS-UTUOFQBUSA-N 0 1 393.509 2.095 20 0 GEADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3C[C@@H](C(N)=O)CC[C@H]3C)c2C(=O)[O-])C1 ZINC000736802205 599711998 /nfs/dbraw/zinc/71/19/98/599711998.db2.gz NFNYKVDGHMFTPS-UTUOFQBUSA-N 0 1 393.509 2.095 20 0 GEADMN CC(C)C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C(=O)[O-] ZINC000736413415 599716097 /nfs/dbraw/zinc/71/60/97/599716097.db2.gz ULWZKFRKUOQGLJ-QGZVFWFLSA-N 0 1 393.459 2.092 20 0 GEADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736756149 599722186 /nfs/dbraw/zinc/72/21/86/599722186.db2.gz RFKTYSLIGSGGDO-BETUJISGSA-N 0 1 394.447 2.338 20 0 GEADMN Cc1ccccc1C[NH+]1CCN(C(=O)CN[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738773907 599760536 /nfs/dbraw/zinc/76/05/36/599760536.db2.gz ZSEIEXDOJRPUQD-NRFANRHFSA-N 0 1 381.476 2.055 20 0 GEADMN CC[NH+](CC)CC1CCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000737086234 599761124 /nfs/dbraw/zinc/76/11/24/599761124.db2.gz IANJFLKXZPWYJF-MRXNPFEDSA-N 0 1 375.513 2.443 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000379612756 599775481 /nfs/dbraw/zinc/77/54/81/599775481.db2.gz VGKYXVAOSISOAK-OAHLLOKOSA-N 0 1 378.450 2.311 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000379612756 599775483 /nfs/dbraw/zinc/77/54/83/599775483.db2.gz VGKYXVAOSISOAK-OAHLLOKOSA-N 0 1 378.450 2.311 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)o1 ZINC000740173772 599777038 /nfs/dbraw/zinc/77/70/38/599777038.db2.gz QEZXMVBHUUBEOZ-UHFFFAOYSA-N 0 1 392.477 2.307 20 0 GEADMN COc1cc[nH+]c(N2CCN([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC2)c1 ZINC000738142583 599794290 /nfs/dbraw/zinc/79/42/90/599794290.db2.gz BAMUTQSJGYLDRS-AWEZNQCLSA-N 0 1 386.452 2.127 20 0 GEADMN O=C([O-])CCCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000646156739 599795161 /nfs/dbraw/zinc/79/51/61/599795161.db2.gz UARBHBDGZQFCRZ-UHFFFAOYSA-N 0 1 386.452 2.470 20 0 GEADMN Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3ccccc3C(=O)[O-])CC2)c1 ZINC000738707799 599827878 /nfs/dbraw/zinc/82/78/78/599827878.db2.gz FNVHQGYAFPIYFE-UHFFFAOYSA-N 0 1 396.443 2.194 20 0 GEADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1=O ZINC000737113554 599834882 /nfs/dbraw/zinc/83/48/82/599834882.db2.gz CVSIPWAABHMWQK-JSGCOSHPSA-N 0 1 393.871 2.310 20 0 GEADMN O=C([O-])c1coc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000740268198 599847475 /nfs/dbraw/zinc/84/74/75/599847475.db2.gz DMSVXRVFJWOLBK-UHFFFAOYSA-N 0 1 382.413 2.060 20 0 GEADMN O=C([O-])CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000739734975 599852398 /nfs/dbraw/zinc/85/23/98/599852398.db2.gz QLYJNKZWWOFUQL-ZDUSSCGKSA-N 0 1 392.843 2.160 20 0 GEADMN O=C([O-])CCNC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000739734975 599852401 /nfs/dbraw/zinc/85/24/01/599852401.db2.gz QLYJNKZWWOFUQL-ZDUSSCGKSA-N 0 1 392.843 2.160 20 0 GEADMN O=C([O-])/C=C1/SCC(=O)N1CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000739624189 599875981 /nfs/dbraw/zinc/87/59/81/599875981.db2.gz ISHBKFGVTJXWPF-YFEUJDIGSA-N 0 1 390.461 2.444 20 0 GEADMN CC[NH+]1CCN(c2ccc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)cc2F)CC1 ZINC000737114473 599914380 /nfs/dbraw/zinc/91/43/80/599914380.db2.gz AUNWYIDTXKGVJQ-AWEZNQCLSA-N 0 1 377.460 2.293 20 0 GEADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000107885329 599930502 /nfs/dbraw/zinc/93/05/02/599930502.db2.gz HWSHWXWQQXYUOD-UHFFFAOYSA-N 0 1 376.478 2.494 20 0 GEADMN C[C@H](C[N@H+](CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)C1CC1)C(=O)[O-] ZINC000736577670 599933038 /nfs/dbraw/zinc/93/30/38/599933038.db2.gz FNUMNYNLDKLNMP-SPLOXXLWSA-N 0 1 385.464 2.303 20 0 GEADMN C[C@H](C[N@@H+](CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)C1CC1)C(=O)[O-] ZINC000736577670 599933040 /nfs/dbraw/zinc/93/30/40/599933040.db2.gz FNUMNYNLDKLNMP-SPLOXXLWSA-N 0 1 385.464 2.303 20 0 GEADMN C[C@@H](C[N@H+](CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)C1CC1)C(=O)[O-] ZINC000736577668 599933161 /nfs/dbraw/zinc/93/31/61/599933161.db2.gz FNUMNYNLDKLNMP-QKKBWIMNSA-N 0 1 385.464 2.303 20 0 GEADMN C[C@@H](C[N@@H+](CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)C1CC1)C(=O)[O-] ZINC000736577668 599933163 /nfs/dbraw/zinc/93/31/63/599933163.db2.gz FNUMNYNLDKLNMP-QKKBWIMNSA-N 0 1 385.464 2.303 20 0 GEADMN C[C@H](C[N@H+](CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O)C1CC1)C(=O)[O-] ZINC000736578221 599933261 /nfs/dbraw/zinc/93/32/61/599933261.db2.gz KAMDYSOYFSBYTJ-ADLMAVQZSA-N 0 1 379.844 2.250 20 0 GEADMN C[C@H](C[N@@H+](CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O)C1CC1)C(=O)[O-] ZINC000736578221 599933263 /nfs/dbraw/zinc/93/32/63/599933263.db2.gz KAMDYSOYFSBYTJ-ADLMAVQZSA-N 0 1 379.844 2.250 20 0 GEADMN O=C([O-])Nc1cccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000740030243 599934728 /nfs/dbraw/zinc/93/47/28/599934728.db2.gz HIIAULWWQDYRLF-UHFFFAOYSA-N 0 1 383.452 2.114 20 0 GEADMN C[C@@H](C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1)C(=O)[O-] ZINC000736577881 599948652 /nfs/dbraw/zinc/94/86/52/599948652.db2.gz GEYLSZHRVUQNBH-HNNXBMFYSA-N 0 1 377.460 2.050 20 0 GEADMN O=C([O-])COc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000659755628 599953470 /nfs/dbraw/zinc/95/34/70/599953470.db2.gz ZMZMNTWIIQSXLR-GOSISDBHSA-N 0 1 382.460 2.444 20 0 GEADMN Cc1ccc(N2CCC[C@H]([N@H+](C)CC(=O)Nc3ccsc3C(=O)[O-])C2)nn1 ZINC000738616468 599957135 /nfs/dbraw/zinc/95/71/35/599957135.db2.gz QEWHXVQLOVMNDD-ZDUSSCGKSA-N 0 1 389.481 2.084 20 0 GEADMN Cc1ccc(N2CCC[C@H]([N@@H+](C)CC(=O)Nc3ccsc3C(=O)[O-])C2)nn1 ZINC000738616468 599957136 /nfs/dbraw/zinc/95/71/36/599957136.db2.gz QEWHXVQLOVMNDD-ZDUSSCGKSA-N 0 1 389.481 2.084 20 0 GEADMN Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)nn1 ZINC000738616893 599957624 /nfs/dbraw/zinc/95/76/24/599957624.db2.gz YJUREPPYGGMLGD-INIZCTEOSA-N 0 1 397.479 2.331 20 0 GEADMN Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)nn1 ZINC000738616893 599957625 /nfs/dbraw/zinc/95/76/25/599957625.db2.gz YJUREPPYGGMLGD-INIZCTEOSA-N 0 1 397.479 2.331 20 0 GEADMN C[N@@H+]1CCN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000737515910 599960144 /nfs/dbraw/zinc/96/01/44/599960144.db2.gz PSHUIIPDLYGCNP-IBGZPJMESA-N 0 1 383.448 2.462 20 0 GEADMN C[N@H+]1CCN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000737515910 599960145 /nfs/dbraw/zinc/96/01/45/599960145.db2.gz PSHUIIPDLYGCNP-IBGZPJMESA-N 0 1 383.448 2.462 20 0 GEADMN COC(=O)c1cc(NC(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)cc(C(=O)[O-])c1 ZINC000737665978 599963015 /nfs/dbraw/zinc/96/30/15/599963015.db2.gz IRUOYBDAKCKURU-ZDUSSCGKSA-N 0 1 392.452 2.125 20 0 GEADMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738850585 599969032 /nfs/dbraw/zinc/96/90/32/599969032.db2.gz QQFIUWPZUSZOML-KBXCAEBGSA-N 0 1 399.495 2.010 20 0 GEADMN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cncn1)CCCC2 ZINC000739285241 599969900 /nfs/dbraw/zinc/96/99/00/599969900.db2.gz BXDPOZLMYOVGDH-LBPRGKRZSA-N 0 1 389.481 2.020 20 0 GEADMN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cncn1)CCCC2 ZINC000739285241 599969903 /nfs/dbraw/zinc/96/99/03/599969903.db2.gz BXDPOZLMYOVGDH-LBPRGKRZSA-N 0 1 389.481 2.020 20 0 GEADMN O=C([O-])c1cc(F)ccc1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000740080119 599973081 /nfs/dbraw/zinc/97/30/81/599973081.db2.gz 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ZINC000826020457 601922268 /nfs/dbraw/zinc/92/22/68/601922268.db2.gz FSEQKULXNZNDQM-OCCSQVGLSA-N 0 1 380.466 2.067 20 0 GEADMN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826020457 601922270 /nfs/dbraw/zinc/92/22/70/601922270.db2.gz FSEQKULXNZNDQM-OCCSQVGLSA-N 0 1 380.466 2.067 20 0 GEADMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCSC[C@H]2CC(=O)[O-])c1 ZINC000831373870 601925510 /nfs/dbraw/zinc/92/55/10/601925510.db2.gz MUOHRMXJUFWSCE-GXTWGEPZSA-N 0 1 380.466 2.001 20 0 GEADMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCSC[C@H]2CC(=O)[O-])c1 ZINC000831373870 601925512 /nfs/dbraw/zinc/92/55/12/601925512.db2.gz MUOHRMXJUFWSCE-GXTWGEPZSA-N 0 1 380.466 2.001 20 0 GEADMN COCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739847626 601927307 /nfs/dbraw/zinc/92/73/07/601927307.db2.gz WDZWMJIAOLGESP-RBUKOAKNSA-N 0 1 389.496 2.446 20 0 GEADMN CCOC(=O)c1c(NC(=O)C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)sc2c1CCC2 ZINC000563218449 601927387 /nfs/dbraw/zinc/92/73/87/601927387.db2.gz YETPPQCFPWTAHY-SFHVURJKSA-N 0 1 380.466 2.149 20 0 GEADMN CCOC(=O)c1c(NC(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)sc2c1CCC2 ZINC000563218449 601927389 /nfs/dbraw/zinc/92/73/89/601927389.db2.gz YETPPQCFPWTAHY-SFHVURJKSA-N 0 1 380.466 2.149 20 0 GEADMN COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)sc2c1CC[C@H](C)C2 ZINC000831231341 601934725 /nfs/dbraw/zinc/93/47/25/601934725.db2.gz ZEBODHPMJZYERI-JEOXALJRSA-N 0 1 394.493 2.395 20 0 GEADMN COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)sc2c1CC[C@H](C)C2 ZINC000831231341 601934728 /nfs/dbraw/zinc/93/47/28/601934728.db2.gz ZEBODHPMJZYERI-JEOXALJRSA-N 0 1 394.493 2.395 20 0 GEADMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000828433168 601934960 /nfs/dbraw/zinc/93/49/60/601934960.db2.gz RQENVHVHZLRUFX-CWTRNNRKSA-N 0 1 382.464 2.417 20 0 GEADMN Nc1nc(CN2CC[NH+](Cc3ccc(C(=O)[O-])s3)CC2)nc2ccccc12 ZINC000833091264 601938800 /nfs/dbraw/zinc/93/88/00/601938800.db2.gz LQCRWFNERRWRPZ-UHFFFAOYSA-N 0 1 383.477 2.290 20 0 GEADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828161213 601954769 /nfs/dbraw/zinc/95/47/69/601954769.db2.gz MZSGFECULBREOL-TUAOUCFPSA-N 0 1 390.452 2.308 20 0 GEADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CCOCC1 ZINC000831369944 601966430 /nfs/dbraw/zinc/96/64/30/601966430.db2.gz LRHWPLBLJLVADT-CYBMUJFWSA-N 0 1 392.452 2.247 20 0 GEADMN CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cc1OC ZINC000739496106 601967067 /nfs/dbraw/zinc/96/70/67/601967067.db2.gz CPRHOXJGZZLKBX-GOEBONIOSA-N 0 1 393.484 2.345 20 0 GEADMN CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cc1OC ZINC000739496106 601967068 /nfs/dbraw/zinc/96/70/68/601967068.db2.gz CPRHOXJGZZLKBX-GOEBONIOSA-N 0 1 393.484 2.345 20 0 GEADMN COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cc1OC ZINC000739850248 601968152 /nfs/dbraw/zinc/96/81/52/601968152.db2.gz JDKJGGXBOODLRB-HUUCEWRRSA-N 0 1 393.484 2.264 20 0 GEADMN COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cc1OC ZINC000739850248 601968153 /nfs/dbraw/zinc/96/81/53/601968153.db2.gz JDKJGGXBOODLRB-HUUCEWRRSA-N 0 1 393.484 2.264 20 0 GEADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000828167933 601969106 /nfs/dbraw/zinc/96/91/06/601969106.db2.gz LYPLRIOMONFOIB-KDOFPFPSSA-N 0 1 381.432 2.103 20 0 GEADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000828167547 601969369 /nfs/dbraw/zinc/96/93/69/601969369.db2.gz IAMZKKJERWUDKY-KDOFPFPSSA-N 0 1 396.447 2.494 20 0 GEADMN Cc1c(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC000832855201 601969821 /nfs/dbraw/zinc/96/98/21/601969821.db2.gz NFAKJLLPMZUJTD-PBHICJAKSA-N 0 1 395.459 2.411 20 0 GEADMN Cc1cccc(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)c1-c1nn[nH]n1 ZINC000826303821 607536381 /nfs/dbraw/zinc/53/63/81/607536381.db2.gz HELYCILCEADWGE-UHFFFAOYSA-N 0 1 383.393 2.026 20 0 GEADMN COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739894198 601971554 /nfs/dbraw/zinc/97/15/54/601971554.db2.gz NAGJKIPUMSWYSD-VQIMIIECSA-N 0 1 375.469 2.337 20 0 GEADMN COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739894198 601971555 /nfs/dbraw/zinc/97/15/55/601971555.db2.gz NAGJKIPUMSWYSD-VQIMIIECSA-N 0 1 375.469 2.337 20 0 GEADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)c1 ZINC000739928587 601971692 /nfs/dbraw/zinc/97/16/92/601971692.db2.gz AGWQZFBSFBUJLF-SOUVJXGZSA-N 0 1 393.484 2.344 20 0 GEADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)c1 ZINC000739928587 601971693 /nfs/dbraw/zinc/97/16/93/601971693.db2.gz AGWQZFBSFBUJLF-SOUVJXGZSA-N 0 1 393.484 2.344 20 0 GEADMN C[C@@H]1C[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000398230727 601989323 /nfs/dbraw/zinc/98/93/23/601989323.db2.gz WOFJEEQTGHPZFJ-OCCSQVGLSA-N 0 1 380.491 2.388 20 0 GEADMN COCC[N@H+]1CC[C@H](NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000831745010 602005880 /nfs/dbraw/zinc/00/58/80/602005880.db2.gz OGSALTWAOMOZEZ-LBPRGKRZSA-N 0 1 375.347 2.246 20 0 GEADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000831918516 602017036 /nfs/dbraw/zinc/01/70/36/602017036.db2.gz OISXWUSLJKEZMQ-HNNXBMFYSA-N 0 1 392.477 2.017 20 0 GEADMN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc(C)c1OCC(=O)[O-] ZINC000832863471 602058289 /nfs/dbraw/zinc/05/82/89/602058289.db2.gz PGYSCEVHCZFUJQ-MSOLQXFVSA-N 0 1 390.480 2.140 20 0 GEADMN O=C([O-])N(CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CC1 ZINC000740441441 602073574 /nfs/dbraw/zinc/07/35/74/602073574.db2.gz ZUGNEBXJIOKALD-UHFFFAOYSA-N 0 1 378.498 2.499 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740236558 602107230 /nfs/dbraw/zinc/10/72/30/602107230.db2.gz OHVUAAXVXDYGAQ-CZUORRHYSA-N 0 1 386.456 2.153 20 0 GEADMN O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000738620080 602117306 /nfs/dbraw/zinc/11/73/06/602117306.db2.gz HCXXATHGHUKUII-QGZVFWFLSA-N 0 1 399.447 2.189 20 0 GEADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000829395982 602129057 /nfs/dbraw/zinc/12/90/57/602129057.db2.gz JODUPXQCROQWPZ-KRWDZBQOSA-N 0 1 375.469 2.023 20 0 GEADMN CCC[C@@](C)(NC(=O)[O-])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000739292859 602138289 /nfs/dbraw/zinc/13/82/89/602138289.db2.gz WRESICYHWFDURI-FOIQADDNSA-N 0 1 377.485 2.350 20 0 GEADMN CCC[C@@](C)(NC(=O)[O-])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000739292859 602138292 /nfs/dbraw/zinc/13/82/92/602138292.db2.gz WRESICYHWFDURI-FOIQADDNSA-N 0 1 377.485 2.350 20 0 GEADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000739102232 602185520 /nfs/dbraw/zinc/18/55/20/602185520.db2.gz FXQXIHHQVXYRFI-JKSUJKDBSA-N 0 1 376.501 2.416 20 0 GEADMN CCn1c(-c2ccccn2)nn(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1=S ZINC000830404015 602197190 /nfs/dbraw/zinc/19/71/90/602197190.db2.gz ZMSUVLVQQRKDTL-UHFFFAOYSA-N 0 1 391.497 2.409 20 0 GEADMN CCn1c(-c2ccccn2)nn(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1=S ZINC000830404015 602197191 /nfs/dbraw/zinc/19/71/91/602197191.db2.gz ZMSUVLVQQRKDTL-UHFFFAOYSA-N 0 1 391.497 2.409 20 0 GEADMN CC[C@@H](NC(=O)CCCN(C)C(=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828926265 602212692 /nfs/dbraw/zinc/21/26/92/602212692.db2.gz FXPUHMNJBOUNIM-QZTJIDSGSA-N 0 1 377.485 2.172 20 0 GEADMN CC[C@@H](NC(=O)CCCN(C)C(=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828926265 602212693 /nfs/dbraw/zinc/21/26/93/602212693.db2.gz FXPUHMNJBOUNIM-QZTJIDSGSA-N 0 1 377.485 2.172 20 0 GEADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C[C@@H]1C ZINC000829752752 602218038 /nfs/dbraw/zinc/21/80/38/602218038.db2.gz JLONIAKZCLYANV-SWLSCSKDSA-N 0 1 397.497 2.125 20 0 GEADMN Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000832979012 602225723 /nfs/dbraw/zinc/22/57/23/602225723.db2.gz JDRKWTBIDFEOMU-LJQANCHMSA-N 0 1 375.513 2.118 20 0 GEADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000832979012 602225725 /nfs/dbraw/zinc/22/57/25/602225725.db2.gz JDRKWTBIDFEOMU-LJQANCHMSA-N 0 1 375.513 2.118 20 0 GEADMN CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-])c2C1 ZINC000738896724 602227519 /nfs/dbraw/zinc/22/75/19/602227519.db2.gz PNZWXUNWVPWXEN-KGLIPLIRSA-N 0 1 390.484 2.148 20 0 GEADMN COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000739957637 602260728 /nfs/dbraw/zinc/26/07/28/602260728.db2.gz ZGPYGOHPWMDSIG-MAUKXSAKSA-N 0 1 396.509 2.323 20 0 GEADMN COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000739957637 602260731 /nfs/dbraw/zinc/26/07/31/602260731.db2.gz ZGPYGOHPWMDSIG-MAUKXSAKSA-N 0 1 396.509 2.323 20 0 GEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000738997267 602260885 /nfs/dbraw/zinc/26/08/85/602260885.db2.gz BTEWKGFCWGBCOF-YOEHRIQHSA-N 0 1 384.498 2.370 20 0 GEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000738997267 602260888 /nfs/dbraw/zinc/26/08/88/602260888.db2.gz BTEWKGFCWGBCOF-YOEHRIQHSA-N 0 1 384.498 2.370 20 0 GEADMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000738997256 602261445 /nfs/dbraw/zinc/26/14/45/602261445.db2.gz BTEWKGFCWGBCOF-PBHICJAKSA-N 0 1 384.498 2.370 20 0 GEADMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000738997256 602261446 /nfs/dbraw/zinc/26/14/46/602261446.db2.gz BTEWKGFCWGBCOF-PBHICJAKSA-N 0 1 384.498 2.370 20 0 GEADMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000738997262 602261509 /nfs/dbraw/zinc/26/15/09/602261509.db2.gz BTEWKGFCWGBCOF-RHSMWYFYSA-N 0 1 384.498 2.370 20 0 GEADMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000738997262 602261510 /nfs/dbraw/zinc/26/15/10/602261510.db2.gz BTEWKGFCWGBCOF-RHSMWYFYSA-N 0 1 384.498 2.370 20 0 GEADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000828455986 602279408 /nfs/dbraw/zinc/27/94/08/602279408.db2.gz HRQSGVJPBCDPOV-QWHZDKJVSA-N 0 1 385.468 2.246 20 0 GEADMN C[C@@H](Cn1ccnc1)NC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444035304 649932057 /nfs/dbraw/zinc/93/20/57/649932057.db2.gz JJFINRLHQCBZIE-JTQLQIEISA-N 0 1 375.226 2.306 20 0 GEADMN CC[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263235007 602298899 /nfs/dbraw/zinc/29/88/99/602298899.db2.gz MYWNNXRAQNRLKY-UEXGIBASSA-N 0 1 389.496 2.172 20 0 GEADMN CC[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263235007 602298903 /nfs/dbraw/zinc/29/89/03/602298903.db2.gz MYWNNXRAQNRLKY-UEXGIBASSA-N 0 1 389.496 2.172 20 0 GEADMN O=C([O-])N1CC[NH+](CCCNC(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 ZINC000740431961 602307490 /nfs/dbraw/zinc/30/74/90/602307490.db2.gz GHVWQDOJDXMFCV-LJQANCHMSA-N 0 1 389.496 2.489 20 0 GEADMN 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/nfs/dbraw/zinc/21/50/93/607215093.db2.gz BODOLAQFTPREHS-UHFFFAOYSA-N 0 1 394.483 2.210 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000822535586 607251251 /nfs/dbraw/zinc/25/12/51/607251251.db2.gz XJWQBZCBEQBGHC-LSDHHAIUSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000822535586 607251252 /nfs/dbraw/zinc/25/12/52/607251252.db2.gz XJWQBZCBEQBGHC-LSDHHAIUSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000822535586 607251253 /nfs/dbraw/zinc/25/12/53/607251253.db2.gz XJWQBZCBEQBGHC-LSDHHAIUSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000822535586 607251254 /nfs/dbraw/zinc/25/12/54/607251254.db2.gz XJWQBZCBEQBGHC-LSDHHAIUSA-N 0 1 395.467 2.115 20 0 GEADMN C[C@@H]1CN(Cc2ccc(CNc3cnccc3-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000824984472 607839267 /nfs/dbraw/zinc/83/92/67/607839267.db2.gz KBTVAHPQVRYLBX-GASCZTMLSA-N 0 1 379.468 2.483 20 0 GEADMN c1nnc(-c2ccccc2OCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)[nH]1 ZINC000826512938 607849343 /nfs/dbraw/zinc/84/93/43/607849343.db2.gz USFCVOUKXNZPQB-UHFFFAOYSA-N 0 1 387.363 2.281 20 0 GEADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824978510 607913388 /nfs/dbraw/zinc/91/33/88/607913388.db2.gz WHOCDPSUKPJRER-KBPBESRZSA-N 0 1 393.451 2.219 20 0 GEADMN CC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1c(C)noc1C ZINC000825134639 607962367 /nfs/dbraw/zinc/96/23/67/607962367.db2.gz VYMRAGRNKUSQNN-LLVKDONJSA-N 0 1 389.441 2.175 20 0 GEADMN O=C1CCCN1C[C@@H](NCc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826480864 607986918 /nfs/dbraw/zinc/98/69/18/607986918.db2.gz VFFHDDWZOKVATP-GOSISDBHSA-N 0 1 380.427 2.459 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826077202 608021148 /nfs/dbraw/zinc/02/11/48/608021148.db2.gz DFGLFRZTZASYML-NSHDSACASA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826077202 608021149 /nfs/dbraw/zinc/02/11/49/608021149.db2.gz DFGLFRZTZASYML-NSHDSACASA-N 0 1 386.435 2.013 20 0 GEADMN C[C@@H](NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc[nH]1 ZINC000824487726 608023952 /nfs/dbraw/zinc/02/39/52/608023952.db2.gz CETPQHGBBGNEBU-OAHLLOKOSA-N 0 1 394.483 2.173 20 0 GEADMN COc1ccc(C[C@@H](C)CN(C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191956 608065516 /nfs/dbraw/zinc/06/55/16/608065516.db2.gz VPMTYEDYAWEHRB-AUUYWEPGSA-N 0 1 394.479 2.212 20 0 GEADMN CN(C)Cc1ccsc1C(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825870515 608089777 /nfs/dbraw/zinc/08/97/77/608089777.db2.gz PNQAOJDHZMGBPG-INIZCTEOSA-N 0 1 398.492 2.204 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)n[nH]1 ZINC000825740188 608105778 /nfs/dbraw/zinc/10/57/78/608105778.db2.gz QKDZMDVFUASVHI-SNVBAGLBSA-N 0 1 385.432 2.217 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)n[nH]1 ZINC000825740687 608106534 /nfs/dbraw/zinc/10/65/34/608106534.db2.gz YKANTGMNKPCCFE-SSDOTTSWSA-N 0 1 395.349 2.449 20 0 GEADMN Cc1ccc([C@H]2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826286211 608127737 /nfs/dbraw/zinc/12/77/37/608127737.db2.gz VUAVJCBZFNKTCL-IBGZPJMESA-N 0 1 376.464 2.281 20 0 GEADMN C[C@H](NCCn1cc(Br)cn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824604926 608131986 /nfs/dbraw/zinc/13/19/86/608131986.db2.gz FINAEWGOISKCLZ-VIFPVBQESA-N 0 1 380.225 2.316 20 0 GEADMN COc1ccc(C[C@@](C)([NH3+])CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826191129 608192369 /nfs/dbraw/zinc/19/23/69/608192369.db2.gz XWCJGGHIRCUTNN-OAHLLOKOSA-N 0 1 379.877 2.357 20 0 GEADMN COc1ccc(C[C@@](C)([NH3+])CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826191129 608192370 /nfs/dbraw/zinc/19/23/70/608192370.db2.gz XWCJGGHIRCUTNN-OAHLLOKOSA-N 0 1 379.877 2.357 20 0 GEADMN CCN1C[C@@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@@H]1C ZINC000825443733 608281262 /nfs/dbraw/zinc/28/12/62/608281262.db2.gz FBPDUOJYMIFGFS-WDEREUQCSA-N 0 1 395.414 2.415 20 0 GEADMN CCN1C[C@@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@H]1C ZINC000825443727 608281353 /nfs/dbraw/zinc/28/13/53/608281353.db2.gz FBPDUOJYMIFGFS-GHMZBOCLSA-N 0 1 395.414 2.415 20 0 GEADMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825152548 608313183 /nfs/dbraw/zinc/31/31/83/608313183.db2.gz BKNWEZGNKGESAS-AEFFLSMTSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825152548 608313185 /nfs/dbraw/zinc/31/31/85/608313185.db2.gz BKNWEZGNKGESAS-AEFFLSMTSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825152548 608313187 /nfs/dbraw/zinc/31/31/87/608313187.db2.gz BKNWEZGNKGESAS-AEFFLSMTSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825152548 608313188 /nfs/dbraw/zinc/31/31/88/608313188.db2.gz BKNWEZGNKGESAS-AEFFLSMTSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825152548 608313190 /nfs/dbraw/zinc/31/31/90/608313190.db2.gz BKNWEZGNKGESAS-AEFFLSMTSA-N 0 1 381.484 2.486 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC[N@@H+](C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826332378 608313551 /nfs/dbraw/zinc/31/35/51/608313551.db2.gz SAUJINTYOSCGMM-UHFFFAOYSA-N 0 1 380.500 2.277 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC[N@H+](C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826332378 608313552 /nfs/dbraw/zinc/31/35/52/608313552.db2.gz SAUJINTYOSCGMM-UHFFFAOYSA-N 0 1 380.500 2.277 20 0 GEADMN Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3cccc(-c4nn[n-]n4)c3F)C2)nn1 ZINC000826289455 608392223 /nfs/dbraw/zinc/39/22/23/608392223.db2.gz ATSOLSBFIGTHFY-OAHLLOKOSA-N 0 1 382.447 2.205 20 0 GEADMN Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3cccc(-c4nn[n-]n4)c3F)C2)nn1 ZINC000826289455 608392225 /nfs/dbraw/zinc/39/22/25/608392225.db2.gz ATSOLSBFIGTHFY-OAHLLOKOSA-N 0 1 382.447 2.205 20 0 GEADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826177956 608446212 /nfs/dbraw/zinc/44/62/12/608446212.db2.gz CPWDUCBAKILVGY-CYBMUJFWSA-N 0 1 396.451 2.482 20 0 GEADMN C[C@H](NCC(=O)NCCCOc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562032 608468646 /nfs/dbraw/zinc/46/86/46/608468646.db2.gz BUAMOAWYJMNAFN-AWEZNQCLSA-N 0 1 398.442 2.242 20 0 GEADMN CC(C)Cc1nnc(NC(=O)CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000824280600 608486402 /nfs/dbraw/zinc/48/64/02/608486402.db2.gz PWGGPWZMYSRDDP-NSHDSACASA-N 0 1 386.485 2.206 20 0 GEADMN C[C@@H](NCC(=O)N1CCC(c2ccccc2)=N1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554761 608490642 /nfs/dbraw/zinc/49/06/42/608490642.db2.gz RZANKLJFBXFBCF-CQSZACIVSA-N 0 1 375.436 2.154 20 0 GEADMN CCN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc2c(c1)OCO2 ZINC000825435195 608504684 /nfs/dbraw/zinc/50/46/84/608504684.db2.gz PCQTUNSGJXAYHB-UHFFFAOYSA-N 0 1 377.408 2.265 20 0 GEADMN C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)CN1C ZINC000446300010 649976851 /nfs/dbraw/zinc/97/68/51/649976851.db2.gz XGDJWWNBQPGJHZ-SUNKGSAMSA-N 0 1 380.286 2.426 20 0 GEADMN COc1cccc(F)c1[C@H](C)NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826217097 608538679 /nfs/dbraw/zinc/53/86/79/608538679.db2.gz YVDKGLMBEGWVMO-GXTWGEPZSA-N 0 1 387.415 2.105 20 0 GEADMN C[C@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(-n2cccn2)cc1 ZINC000824562307 608550369 /nfs/dbraw/zinc/55/03/69/608550369.db2.gz FHCBKBDXAQCGTM-LBPRGKRZSA-N 0 1 394.464 2.403 20 0 GEADMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824529793 608579138 /nfs/dbraw/zinc/57/91/38/608579138.db2.gz HKWKNZAUBTVEFY-RTPGUIODSA-N 0 1 398.492 2.282 20 0 GEADMN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)[C@@H](C)CN1C ZINC000824974700 608594301 /nfs/dbraw/zinc/59/43/01/608594301.db2.gz DGNKHLYUCVUGNM-KGLIPLIRSA-N 0 1 393.451 2.219 20 0 GEADMN O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826439825 608655604 /nfs/dbraw/zinc/65/56/04/608655604.db2.gz LSPXUJQAUIXYAN-UHFFFAOYSA-N 0 1 386.481 2.092 20 0 GEADMN O=S(=O)([N-]c1cccc(CC[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492971 608757825 /nfs/dbraw/zinc/75/78/25/608757825.db2.gz NNQIRTSAUVOHGU-UHFFFAOYSA-N 0 1 398.492 2.306 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000826175105 608828155 /nfs/dbraw/zinc/82/81/55/608828155.db2.gz SVSMQNPRRHGWHL-UHFFFAOYSA-N 0 1 379.380 2.078 20 0 GEADMN Fc1ccc(-c2nnc3n2C[C@@H]([NH2+]Cc2ccc(-c4nnn[n-]4)s2)CC3)cc1 ZINC000826373091 609173039 /nfs/dbraw/zinc/17/30/39/609173039.db2.gz YZIQQSMGEAFDGO-ZDUSSCGKSA-N 0 1 396.455 2.430 20 0 GEADMN Fc1ccc(-c2nnc3n2C[C@@H]([NH2+]Cc2ccc(-c4nn[n-]n4)s2)CC3)cc1 ZINC000826373091 609173041 /nfs/dbraw/zinc/17/30/41/609173041.db2.gz YZIQQSMGEAFDGO-ZDUSSCGKSA-N 0 1 396.455 2.430 20 0 GEADMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260334 609213882 /nfs/dbraw/zinc/21/38/82/609213882.db2.gz IZKFVTWMWHAILS-UHFFFAOYSA-N 0 1 385.391 2.489 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)cc1-c1nn[nH]n1 ZINC000826229440 609267556 /nfs/dbraw/zinc/26/75/56/609267556.db2.gz DVDQTQATDOJKHK-QWRGUYRKSA-N 0 1 392.485 2.013 20 0 GEADMN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC000825313299 609268052 /nfs/dbraw/zinc/26/80/52/609268052.db2.gz ABZPFEKRWZUNLZ-MRXNPFEDSA-N 0 1 379.468 2.442 20 0 GEADMN O=C(Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)c1cccc2nc[nH]c21 ZINC000826459115 609314259 /nfs/dbraw/zinc/31/42/59/609314259.db2.gz VDGKXWVKLHCVPU-UHFFFAOYSA-N 0 1 389.354 2.320 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(C)cc2Cl)c1-c1nnn[n-]1 ZINC000826077527 609321984 /nfs/dbraw/zinc/32/19/84/609321984.db2.gz LAXDJNUMPFGSNM-UHFFFAOYSA-N 0 1 388.863 2.264 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(C)cc2Cl)c1-c1nn[n-]n1 ZINC000826077527 609321985 /nfs/dbraw/zinc/32/19/85/609321985.db2.gz LAXDJNUMPFGSNM-UHFFFAOYSA-N 0 1 388.863 2.264 20 0 GEADMN C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824571696 609333104 /nfs/dbraw/zinc/33/31/04/609333104.db2.gz RCWINDLOUBWFNB-CMPLNLGQSA-N 0 1 393.369 2.375 20 0 GEADMN Cn1cc(CNc2cnn(-c3ccncc3)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826362309 609339000 /nfs/dbraw/zinc/33/90/00/609339000.db2.gz MLRWBHUNYFMEIR-UHFFFAOYSA-N 0 1 398.434 2.460 20 0 GEADMN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cn1 ZINC000825642901 609382430 /nfs/dbraw/zinc/38/24/30/609382430.db2.gz DYUFCLJXQVRDBE-UHFFFAOYSA-N 0 1 380.817 2.115 20 0 GEADMN OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826509395 609386338 /nfs/dbraw/zinc/38/63/38/609386338.db2.gz UPAJASVEUKZITD-HNNXBMFYSA-N 0 1 399.886 2.484 20 0 GEADMN OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826509395 609386340 /nfs/dbraw/zinc/38/63/40/609386340.db2.gz UPAJASVEUKZITD-HNNXBMFYSA-N 0 1 399.886 2.484 20 0 GEADMN OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826509395 609386341 /nfs/dbraw/zinc/38/63/41/609386341.db2.gz UPAJASVEUKZITD-HNNXBMFYSA-N 0 1 399.886 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CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2sccc2CN(C)C)c1 ZINC000268096451 532755889 /nfs/dbraw/zinc/75/58/89/532755889.db2.gz JXAMHUBJGPMVSN-GFCCVEGCSA-N 0 1 381.523 2.209 20 0 GEADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1Br ZINC000268167775 532756985 /nfs/dbraw/zinc/75/69/85/532756985.db2.gz LAVAHDUJCNNSEH-XHDPSFHLSA-N 0 1 380.286 2.295 20 0 GEADMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000268173566 532757366 /nfs/dbraw/zinc/75/73/66/532757366.db2.gz MIYZXXSFYXTONT-YMTOWFKASA-N 0 1 384.249 2.126 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000286612338 532758774 /nfs/dbraw/zinc/75/87/74/532758774.db2.gz XZTHZDKVGXBFRC-SNVBAGLBSA-N 0 1 383.279 2.431 20 0 GEADMN Cc1nc(C)c(S(=O)(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)s1 ZINC000286650486 532759245 /nfs/dbraw/zinc/75/92/45/532759245.db2.gz JKUHGFFXJWFLKK-ARENWVFISA-N 0 1 399.460 2.226 20 0 GEADMN CC[C@@](C)(NCCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1nccs1 ZINC000411387525 532759418 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COC(=O)CCN1CCN(c2ncnc3ccc(Br)cc32)[C@H](C)C1 ZINC000301973649 532763125 /nfs/dbraw/zinc/76/31/25/532763125.db2.gz AAIOZMHIHMVSPJ-GFCCVEGCSA-N 0 1 393.285 2.466 20 0 GEADMN COc1cc(C(=O)NC(C)(C)C(F)(F)F)cc(NS(C)(=O)=O)c1OC ZINC000616203744 532751809 /nfs/dbraw/zinc/75/18/09/532751809.db2.gz DKTQHWXLMJPNCA-UHFFFAOYSA-N 0 1 384.376 2.146 20 0 GEADMN C[C@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccc(Br)cc1 ZINC000286508548 532751842 /nfs/dbraw/zinc/75/18/42/532751842.db2.gz OBHWOVHNRDDNFP-WQGACYEGSA-N 0 1 394.313 2.225 20 0 GEADMN COc1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c(C)c1F ZINC000445749920 532753458 /nfs/dbraw/zinc/75/34/58/532753458.db2.gz JCYPAKQIBLUUPY-HIFRSBDPSA-N 0 1 388.530 2.343 20 0 GEADMN C[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](C)CN1C ZINC000512301282 532777316 /nfs/dbraw/zinc/77/73/16/532777316.db2.gz UOVLJVVMHHZOTN-VXGBXAGGSA-N 0 1 383.286 2.314 20 0 GEADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000269263613 532778494 /nfs/dbraw/zinc/77/84/94/532778494.db2.gz CQQIKZLGKZMIAE-DZGCQCFKSA-N 0 1 380.901 2.379 20 0 GEADMN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)Cc1n[nH]c(C)n1 ZINC000451405676 532763897 /nfs/dbraw/zinc/76/38/97/532763897.db2.gz IKMXHIGMKARESM-AWEZNQCLSA-N 0 1 383.246 2.230 20 0 GEADMN O=S(=O)(NCc1nc(C(F)(F)F)n[nH]1)c1cc(C(F)(F)F)ccc1O ZINC000451408587 532764765 /nfs/dbraw/zinc/76/47/65/532764765.db2.gz NZDDNLMOSFHJJO-UHFFFAOYSA-N 0 1 390.265 2.026 20 0 GEADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc3c2CNC3=O)c1 ZINC000583343508 532765170 /nfs/dbraw/zinc/76/51/70/532765170.db2.gz ZRCQEZBQDGBZQH-UHFFFAOYSA-N 0 1 380.809 2.171 20 0 GEADMN C[C@@H]1CN(C)[C@@H](C)CN1CC(=O)Nc1ccccc1I ZINC000509432936 532769341 /nfs/dbraw/zinc/76/93/41/532769341.db2.gz BJPZERKQJBFXDV-NWDGAFQWSA-N 0 1 387.265 2.254 20 0 GEADMN C[C@@H](O)CN1CCN(C(=O)NCc2cc(Br)cs2)[C@H](C)C1 ZINC000287078792 532782372 /nfs/dbraw/zinc/78/23/72/532782372.db2.gz IHFFACKGHJLBSQ-GHMZBOCLSA-N 0 1 376.320 2.107 20 0 GEADMN CC1(C)CCC(NS(=O)(=O)c2ccc(Br)o2)(C(N)=O)CC1 ZINC000544724400 532782873 /nfs/dbraw/zinc/78/28/73/532782873.db2.gz KGQGGTYRISGXLF-UHFFFAOYSA-N 0 1 379.276 2.145 20 0 GEADMN COc1ccc(Br)c(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000545204801 532783491 /nfs/dbraw/zinc/78/34/91/532783491.db2.gz GAEDADQWIBIHRR-LSDHHAIUSA-N 0 1 391.331 2.408 20 0 GEADMN C[C@]1(C(=O)[O-])CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000316939526 532783923 /nfs/dbraw/zinc/78/39/23/532783923.db2.gz XPRHXWGETDMZSY-HNNXBMFYSA-N 0 1 390.299 2.410 20 0 GEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000316939526 532783927 /nfs/dbraw/zinc/78/39/27/532783927.db2.gz XPRHXWGETDMZSY-HNNXBMFYSA-N 0 1 390.299 2.410 20 0 GEADMN CC(C)N(CC(=O)N(C)Cc1ccccc1Br)C[C@@H]1CCC(=O)N1 ZINC000412078015 532784588 /nfs/dbraw/zinc/78/45/88/532784588.db2.gz UFZMVRZVZVFXEK-HNNXBMFYSA-N 0 1 396.329 2.397 20 0 GEADMN C[C@@H]1[C@@H](CO)CCCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000412097908 532785370 /nfs/dbraw/zinc/78/53/70/532785370.db2.gz 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ZINC000736533705 599243125 /nfs/dbraw/zinc/24/31/25/599243125.db2.gz IXHPFCDKNWLBIX-LJQANCHMSA-N 0 1 394.479 2.445 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000737295447 599281416 /nfs/dbraw/zinc/28/14/16/599281416.db2.gz XGCONWFMOGVQJY-UHFFFAOYSA-N 0 1 375.396 2.282 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000737295447 599281419 /nfs/dbraw/zinc/28/14/19/599281419.db2.gz XGCONWFMOGVQJY-UHFFFAOYSA-N 0 1 375.396 2.282 20 0 GEADMN CCCOc1cccc(CCN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821139174 607325735 /nfs/dbraw/zinc/32/57/35/607325735.db2.gz QVPBZEPCTDOPDG-GOSISDBHSA-N 0 1 380.452 2.014 20 0 GEADMN COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1cccc(C(=O)[O-])c1 ZINC000820814921 598204629 /nfs/dbraw/zinc/20/46/29/598204629.db2.gz LMVOKAXDYXEKTL-UHFFFAOYSA-N 0 1 383.448 2.393 20 0 GEADMN O=C([O-])c1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000821552531 598218801 /nfs/dbraw/zinc/21/88/01/598218801.db2.gz APEFNURZGSMYBL-UHFFFAOYSA-N 0 1 387.870 2.006 20 0 GEADMN COc1ccccc1CCN(C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737150317 598247989 /nfs/dbraw/zinc/24/79/89/598247989.db2.gz NTUFVTDHSYINGY-SFHVURJKSA-N 0 1 392.463 2.155 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CCN2CCCC[C@H]2C1 ZINC000738146119 598266234 /nfs/dbraw/zinc/26/62/34/598266234.db2.gz PZAADJXHIFLJMS-LBPRGKRZSA-N 0 1 393.398 2.170 20 0 GEADMN Cc1ccc([C@@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000737320951 598288368 /nfs/dbraw/zinc/28/83/68/598288368.db2.gz RUIPUJXHKTXKOW-QGZVFWFLSA-N 0 1 395.467 2.133 20 0 GEADMN O=S(=O)(Nc1ccc(N2CCCCC2)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738342199 598333601 /nfs/dbraw/zinc/33/36/01/598333601.db2.gz OONAXTDRGKTAAR-UHFFFAOYSA-N 0 1 385.453 2.053 20 0 GEADMN c1csc(CCNc2nnc(Sc3nccnc3-c3nn[nH]n3)s2)c1 ZINC000738451166 598340726 /nfs/dbraw/zinc/34/07/26/598340726.db2.gz DDOZCAFUNARTLG-UHFFFAOYSA-N 0 1 389.495 2.376 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCC2(c3ccccc3C)CC2)cc1-c1nn[nH]n1 ZINC000737187793 598359579 /nfs/dbraw/zinc/35/95/79/598359579.db2.gz VGDUBQNOSBKMHU-UHFFFAOYSA-N 0 1 396.476 2.459 20 0 GEADMN Cc1csc(N2CCN(CCOc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)n1 ZINC000737451882 598364398 /nfs/dbraw/zinc/36/43/98/598364398.db2.gz DUVBCBAPYVIGHL-AWEZNQCLSA-N 0 1 385.497 2.221 20 0 GEADMN C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CCN1C[C@H](O)c1ccccc1 ZINC000736291004 598364856 /nfs/dbraw/zinc/36/48/56/598364856.db2.gz TVVZPCDKXVLTLZ-QRWLVFNGSA-N 0 1 396.470 2.246 20 0 GEADMN Cc1nc(CN2CCCN(CCOc3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000737477195 598367545 /nfs/dbraw/zinc/36/75/45/598367545.db2.gz KZQLIRPIVGDFBT-UHFFFAOYSA-N 0 1 397.483 2.058 20 0 GEADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736267172 598459015 /nfs/dbraw/zinc/45/90/15/598459015.db2.gz QODHNQLPICHYCC-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN C[C@H](c1ccccc1)N(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736204460 598503385 /nfs/dbraw/zinc/50/33/85/598503385.db2.gz PYVPTNHVMUILSU-CQSZACIVSA-N 0 1 388.431 2.401 20 0 GEADMN CCCO[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CC1 ZINC000736486991 598512712 /nfs/dbraw/zinc/51/27/12/598512712.db2.gz CHSYKADVWQZCQL-NSHDSACASA-N 0 1 392.485 2.111 20 0 GEADMN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738024209 598556712 /nfs/dbraw/zinc/55/67/12/598556712.db2.gz JMIHYNWYBHKZTA-AWEZNQCLSA-N 0 1 394.435 2.005 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738146877 598562720 /nfs/dbraw/zinc/56/27/20/598562720.db2.gz SEQOGTZHIMCPRK-VXGBXAGGSA-N 0 1 393.398 2.216 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1-c1nn[n-]n1 ZINC000737190430 598566948 /nfs/dbraw/zinc/56/69/48/598566948.db2.gz ZESUJMGZMXELIZ-GFCCVEGCSA-N 0 1 387.513 2.027 20 0 GEADMN CCN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736511112 598678485 /nfs/dbraw/zinc/67/84/85/598678485.db2.gz OKHHVPUREMUZBN-UHFFFAOYSA-N 0 1 386.406 2.283 20 0 GEADMN CC[C@@H]1CN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H](C)O1 ZINC000736408925 598706761 /nfs/dbraw/zinc/70/67/61/598706761.db2.gz LBOQAFSRBAEZLH-VXGBXAGGSA-N 0 1 390.513 2.245 20 0 GEADMN Cc1nnc(NC(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)[nH]1 ZINC000737482127 598718462 /nfs/dbraw/zinc/71/84/62/598718462.db2.gz JHCHTJIOVZTVMJ-UHFFFAOYSA-N 0 1 376.380 2.125 20 0 GEADMN Cc1ccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c(F)c1 ZINC000737357199 598719177 /nfs/dbraw/zinc/71/91/77/598719177.db2.gz MXERETWWDSAJQX-UHFFFAOYSA-N 0 1 378.367 2.268 20 0 GEADMN COC(=O)c1coc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000736956617 598721050 /nfs/dbraw/zinc/72/10/50/598721050.db2.gz GLFZGVYEAHKEQQ-UHFFFAOYSA-N 0 1 385.767 2.263 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)NC(C1CC1)C1CC1 ZINC000737981108 598721862 /nfs/dbraw/zinc/72/18/62/598721862.db2.gz IOSVXYHJSFUEPQ-UHFFFAOYSA-N 0 1 398.854 2.140 20 0 GEADMN C[C@@H](Nc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)[C@H](C)N1CCOCC1 ZINC000736136682 598771575 /nfs/dbraw/zinc/77/15/75/598771575.db2.gz GOFKENBRCLUTBQ-MNOVXSKESA-N 0 1 389.410 2.214 20 0 GEADMN O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CCN(CC2CC2)CC1 ZINC000823303268 599295418 /nfs/dbraw/zinc/29/54/18/599295418.db2.gz FHVKCHLYNIYPMG-UHFFFAOYSA-N 0 1 395.389 2.445 20 0 GEADMN C[C@@H]1CC[C@@H](CCC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820684084 599311078 /nfs/dbraw/zinc/31/10/78/599311078.db2.gz LWVPQBPBUJWLLM-APWZRJJASA-N 0 1 398.511 2.249 20 0 GEADMN CC(C)[C@@H](CO)N(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000735710760 599355030 /nfs/dbraw/zinc/35/50/30/599355030.db2.gz OHCOYTMUIHFQNU-LJQANCHMSA-N 0 1 394.479 2.324 20 0 GEADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000820404396 599372408 /nfs/dbraw/zinc/37/24/08/599372408.db2.gz UNCLWUGYWMZTMW-LSDHHAIUSA-N 0 1 376.464 2.491 20 0 GEADMN COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C(C)C ZINC000821683874 599381481 /nfs/dbraw/zinc/38/14/81/599381481.db2.gz MKTAEBYYZFDHSW-CMPLNLGQSA-N 0 1 378.502 2.005 20 0 GEADMN COc1ccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805256 599414791 /nfs/dbraw/zinc/41/47/91/599414791.db2.gz SFALHQUJDCUQQZ-KRWDZBQOSA-N 0 1 380.452 2.185 20 0 GEADMN CCN(Cc1ccccc1)C(=O)CNCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821222763 599416146 /nfs/dbraw/zinc/41/61/46/599416146.db2.gz YTUUEYWEJOJVBT-UHFFFAOYSA-N 0 1 380.452 2.014 20 0 GEADMN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822224925 607378105 /nfs/dbraw/zinc/37/81/05/607378105.db2.gz GDCWNYWUAALGPR-UHFFFAOYSA-N 0 1 395.448 2.470 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000821977700 599446204 /nfs/dbraw/zinc/44/62/04/599446204.db2.gz JGBKODRNQVIGDE-BXUZGUMPSA-N 0 1 382.449 2.050 20 0 GEADMN C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CCN1C[C@@H](O)c1ccccc1 ZINC000820768610 599530916 /nfs/dbraw/zinc/53/09/16/599530916.db2.gz OTTVOOVISKBOMS-IFXJQAMLSA-N 0 1 382.443 2.250 20 0 GEADMN Cc1nn(C)c(C)c1CN1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000822491535 599535303 /nfs/dbraw/zinc/53/53/03/599535303.db2.gz CKKZUNURYYTDGY-UHFFFAOYSA-N 0 1 386.891 2.193 20 0 GEADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224830 599554435 /nfs/dbraw/zinc/55/44/35/599554435.db2.gz BDYHUOLLCRBYQW-YJBOKZPZSA-N 0 1 391.479 2.387 20 0 GEADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000736224830 599554437 /nfs/dbraw/zinc/55/44/37/599554437.db2.gz BDYHUOLLCRBYQW-YJBOKZPZSA-N 0 1 391.479 2.387 20 0 GEADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224830 599554439 /nfs/dbraw/zinc/55/44/39/599554439.db2.gz BDYHUOLLCRBYQW-YJBOKZPZSA-N 0 1 391.479 2.387 20 0 GEADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000736224830 599554440 /nfs/dbraw/zinc/55/44/40/599554440.db2.gz BDYHUOLLCRBYQW-YJBOKZPZSA-N 0 1 391.479 2.387 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000819939562 599588115 /nfs/dbraw/zinc/58/81/15/599588115.db2.gz GIDMXTCPADFMRT-AWEZNQCLSA-N 0 1 376.436 2.495 20 0 GEADMN C[C@H]1c2ccc(F)cc2CCN1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302930 599591363 /nfs/dbraw/zinc/59/13/63/599591363.db2.gz IPZNXNGVMRBJJL-GUYCJALGSA-N 0 1 383.427 2.365 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)Cc2ccc(C)s2)cc1-c1nn[nH]n1 ZINC000737186932 599604270 /nfs/dbraw/zinc/60/42/70/599604270.db2.gz LUSOVKXSSIOSGJ-QMMMGPOBSA-N 0 1 390.494 2.420 20 0 GEADMN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCN(C)CC12CCCCC2 ZINC000820542213 599692339 /nfs/dbraw/zinc/69/23/39/599692339.db2.gz MFJGQEZZOBUSJC-OAHLLOKOSA-N 0 1 384.484 2.111 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000821762653 599693110 /nfs/dbraw/zinc/69/31/10/599693110.db2.gz OKIWGDJFVVCEMS-UHFFFAOYSA-N 0 1 378.396 2.382 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000736791783 599722492 /nfs/dbraw/zinc/72/24/92/599722492.db2.gz DLHKHDWWXCIQRY-NWDGAFQWSA-N 0 1 380.420 2.091 20 0 GEADMN 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CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000821970801 606299241 /nfs/dbraw/zinc/29/92/41/606299241.db2.gz SHEICSQZNGWKMT-GFCCVEGCSA-N 0 1 382.449 2.146 20 0 GEADMN C[C@@H](NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000820420969 606307704 /nfs/dbraw/zinc/30/77/04/606307704.db2.gz YUJWLSZBOFIGSB-LLVKDONJSA-N 0 1 393.419 2.269 20 0 GEADMN CN(C)Cc1ccnc(NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821588132 606366375 /nfs/dbraw/zinc/36/63/75/606366375.db2.gz COYLYFRTZVEOCX-UHFFFAOYSA-N 0 1 383.481 2.195 20 0 GEADMN c1csc([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCOCC2)c1 ZINC000823815541 606406829 /nfs/dbraw/zinc/40/68/29/606406829.db2.gz DRVBCNMMHAAFTJ-ZDUSSCGKSA-N 0 1 376.511 2.153 20 0 GEADMN c1csc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCOCC2)c1 ZINC000823815541 606406831 /nfs/dbraw/zinc/40/68/31/606406831.db2.gz DRVBCNMMHAAFTJ-ZDUSSCGKSA-N 0 1 376.511 2.153 20 0 GEADMN O[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)COc1cccc(C(F)(F)F)c1 ZINC000823690006 606413122 /nfs/dbraw/zinc/41/31/22/606413122.db2.gz KJFFWTOBPVDWAJ-NSHDSACASA-N 0 1 399.398 2.477 20 0 GEADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)COc1cccc(C(F)(F)F)c1 ZINC000823690006 606413124 /nfs/dbraw/zinc/41/31/24/606413124.db2.gz KJFFWTOBPVDWAJ-NSHDSACASA-N 0 1 399.398 2.477 20 0 GEADMN O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000823551011 606419106 /nfs/dbraw/zinc/41/91/06/606419106.db2.gz BQDOZRHMGSCTMZ-UHFFFAOYSA-N 0 1 382.449 2.094 20 0 GEADMN O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000823551011 606419108 /nfs/dbraw/zinc/41/91/08/606419108.db2.gz BQDOZRHMGSCTMZ-UHFFFAOYSA-N 0 1 382.449 2.094 20 0 GEADMN OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823713712 606469869 /nfs/dbraw/zinc/46/98/69/606469869.db2.gz INHWBMXHMFMEDA-ZBFHGGJFSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823713712 606469870 /nfs/dbraw/zinc/46/98/70/606469870.db2.gz INHWBMXHMFMEDA-ZBFHGGJFSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823713712 606469871 /nfs/dbraw/zinc/46/98/71/606469871.db2.gz INHWBMXHMFMEDA-ZBFHGGJFSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823713712 606469872 /nfs/dbraw/zinc/46/98/72/606469872.db2.gz INHWBMXHMFMEDA-ZBFHGGJFSA-N 0 1 399.886 2.210 20 0 GEADMN Cc1ccc([C@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)N2CCCC2)o1 ZINC000822230851 606544154 /nfs/dbraw/zinc/54/41/54/606544154.db2.gz SBVFFVLWDMVGAI-KRWDZBQOSA-N 0 1 380.452 2.264 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCS[C@H]3CCCC[C@H]32)cc1-c1nn[nH]n1 ZINC000821970151 606585061 /nfs/dbraw/zinc/58/50/61/606585061.db2.gz JEMOHEFUNOFJBK-NEPJUHHUSA-N 0 1 392.510 2.189 20 0 GEADMN Cc1cc(Br)ncc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822162212 606637362 /nfs/dbraw/zinc/63/73/62/606637362.db2.gz ZBOIEQUJLAVOFZ-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN C[C@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1(N2CCOCC2)CCCC1 ZINC000820380036 606645428 /nfs/dbraw/zinc/64/54/28/606645428.db2.gz JZKJIXVSWXKEMR-AWEZNQCLSA-N 0 1 385.472 2.022 20 0 GEADMN O=C(C[NH2+]C1(CO)CCCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823005579 606660997 /nfs/dbraw/zinc/66/09/97/606660997.db2.gz XQJXTWAQHXBFTM-UHFFFAOYSA-N 0 1 390.513 2.030 20 0 GEADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823155641 606664017 /nfs/dbraw/zinc/66/40/17/606664017.db2.gz VQAVUFJYZMHDMG-CQSZACIVSA-N 0 1 384.390 2.149 20 0 GEADMN CCC(CC)(CC(=O)OC)NCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820881895 606750030 /nfs/dbraw/zinc/75/00/30/606750030.db2.gz FCOFJWPDWOWLIM-UHFFFAOYSA-N 0 1 385.428 2.128 20 0 GEADMN CCCc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821138619 606778761 /nfs/dbraw/zinc/77/87/61/606778761.db2.gz CXABHWNEJDOEBW-OAHLLOKOSA-N 0 1 378.484 2.320 20 0 GEADMN CCCc1ccc(C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821138619 606778762 /nfs/dbraw/zinc/77/87/62/606778762.db2.gz CXABHWNEJDOEBW-OAHLLOKOSA-N 0 1 378.484 2.320 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NCc2c[nH]nn2)cc1 ZINC000822146764 606798774 /nfs/dbraw/zinc/79/87/74/606798774.db2.gz ZOCBGJMYLMPPGR-UHFFFAOYSA-N 0 1 376.380 2.016 20 0 GEADMN CSc1n[nH]c(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)n1 ZINC000446028807 649968195 /nfs/dbraw/zinc/96/81/95/649968195.db2.gz NSHGUZQWXAGLHK-QMMMGPOBSA-N 0 1 382.243 2.354 20 0 GEADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000823123126 606824236 /nfs/dbraw/zinc/82/42/36/606824236.db2.gz OSWJGOOQDDWRJH-IBGZPJMESA-N 0 1 392.463 2.466 20 0 GEADMN O=S(=O)(NCCCCc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572284 606885273 /nfs/dbraw/zinc/88/52/73/606885273.db2.gz FWAIBOGQUCSPOP-UHFFFAOYSA-N 0 1 393.419 2.446 20 0 GEADMN C[C@@H](Cc1ccsc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820308116 606885910 /nfs/dbraw/zinc/88/59/10/606885910.db2.gz RHIPRHGBFAGTQC-QMMMGPOBSA-N 0 1 385.421 2.116 20 0 GEADMN CC[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1nccs1 ZINC000820925919 606891673 /nfs/dbraw/zinc/89/16/73/606891673.db2.gz NFOWNSXLYJEJAA-SNVBAGLBSA-N 0 1 386.409 2.031 20 0 GEADMN O=S(=O)(N[C@@H]1C[C@H]1Cc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573755 606895203 /nfs/dbraw/zinc/89/52/03/606895203.db2.gz YQSDHUDSRCYZBE-IAQYHMDHSA-N 0 1 391.403 2.054 20 0 GEADMN FC(F)(F)c1ccc(N2CCN(C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723983 606910491 /nfs/dbraw/zinc/91/04/91/606910491.db2.gz VJMJPGTVWABBOZ-ZDUSSCGKSA-N 0 1 382.390 2.187 20 0 GEADMN C[C@H](c1ccccc1)N(CCCOc1cccc(-c2nn[nH]n2)c1)CC(N)=O ZINC000822004850 606930057 /nfs/dbraw/zinc/93/00/57/606930057.db2.gz LRPLQTAEHUSPRJ-OAHLLOKOSA-N 0 1 380.452 2.184 20 0 GEADMN O=C(OCCCOc1cccc(-c2nn[nH]n2)c1)c1c(F)cc(O)cc1F ZINC000823401128 606951009 /nfs/dbraw/zinc/95/10/09/606951009.db2.gz PPBMEZUQSWZBQO-UHFFFAOYSA-N 0 1 376.319 2.476 20 0 GEADMN COCCN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821690632 606972895 /nfs/dbraw/zinc/97/28/95/606972895.db2.gz SJTDSTIDUTUZJN-UHFFFAOYSA-N 0 1 385.399 2.383 20 0 GEADMN CC=C(C=CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)CC ZINC000820825866 606995280 /nfs/dbraw/zinc/99/52/80/606995280.db2.gz GCQANMVVAVXUEE-IQTRCOIWSA-N 0 1 383.456 2.293 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)CC[C@H]32)cc1 ZINC000823779326 607032067 /nfs/dbraw/zinc/03/20/67/607032067.db2.gz ANKBJYNUUFCXSZ-DLBZAZTESA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)CC[C@H]32)cc1 ZINC000823779326 607032069 /nfs/dbraw/zinc/03/20/69/607032069.db2.gz ANKBJYNUUFCXSZ-DLBZAZTESA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)CC[C@H]32)cc1 ZINC000823779326 607032070 /nfs/dbraw/zinc/03/20/70/607032070.db2.gz ANKBJYNUUFCXSZ-DLBZAZTESA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)CC[C@H]32)cc1 ZINC000823779326 607032072 /nfs/dbraw/zinc/03/20/72/607032072.db2.gz ANKBJYNUUFCXSZ-DLBZAZTESA-N 0 1 376.468 2.148 20 0 GEADMN COc1cccc(OCCN2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821877582 607038267 /nfs/dbraw/zinc/03/82/67/607038267.db2.gz MRHLQKYUYHWSMV-UHFFFAOYSA-N 0 1 380.452 2.076 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822535359 607071495 /nfs/dbraw/zinc/07/14/95/607071495.db2.gz OJIAQIWNBFCRGB-LSDHHAIUSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822535359 607071497 /nfs/dbraw/zinc/07/14/97/607071497.db2.gz OJIAQIWNBFCRGB-LSDHHAIUSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822535359 607071499 /nfs/dbraw/zinc/07/14/99/607071499.db2.gz OJIAQIWNBFCRGB-LSDHHAIUSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822535359 607071502 /nfs/dbraw/zinc/07/15/02/607071502.db2.gz OJIAQIWNBFCRGB-LSDHHAIUSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822535357 607071622 /nfs/dbraw/zinc/07/16/22/607071622.db2.gz OJIAQIWNBFCRGB-GJZGRUSLSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822535357 607071624 /nfs/dbraw/zinc/07/16/24/607071624.db2.gz OJIAQIWNBFCRGB-GJZGRUSLSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822535357 607071626 /nfs/dbraw/zinc/07/16/26/607071626.db2.gz OJIAQIWNBFCRGB-GJZGRUSLSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822535357 607071628 /nfs/dbraw/zinc/07/16/28/607071628.db2.gz OJIAQIWNBFCRGB-GJZGRUSLSA-N 0 1 395.467 2.115 20 0 GEADMN CN(CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1nc2ccccc2o1 ZINC000821598224 607098876 /nfs/dbraw/zinc/09/88/76/607098876.db2.gz VNTBXJAOFUDSIA-UHFFFAOYSA-N 0 1 377.408 2.469 20 0 GEADMN O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823350612 607165710 /nfs/dbraw/zinc/16/57/10/607165710.db2.gz UJTIONUBNYOERZ-UHFFFAOYSA-N 0 1 393.451 2.379 20 0 GEADMN O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823350612 607165711 /nfs/dbraw/zinc/16/57/11/607165711.db2.gz UJTIONUBNYOERZ-UHFFFAOYSA-N 0 1 393.451 2.379 20 0 GEADMN CC(C)Sc1c(Cl)cccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820184233 607218706 /nfs/dbraw/zinc/21/87/06/607218706.db2.gz XUDNPPZRXACYIX-UHFFFAOYSA-N 0 1 378.849 2.251 20 0 GEADMN CC(C)(C)CCN1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000819914577 607233376 /nfs/dbraw/zinc/23/33/76/607233376.db2.gz XXYPGYGKWSBQDQ-UHFFFAOYSA-N 0 1 377.880 2.109 20 0 GEADMN CCN(CC)[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccco1 ZINC000821181225 607233627 /nfs/dbraw/zinc/23/36/27/607233627.db2.gz KTLODXCGNHAQKD-ZDUSSCGKSA-N 0 1 389.847 2.321 20 0 GEADMN c1nnc([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1C1CC1 ZINC000823801992 607237269 /nfs/dbraw/zinc/23/72/69/607237269.db2.gz FBVMIQNAQWVVQU-CQSZACIVSA-N 0 1 389.467 2.425 20 0 GEADMN Cc1ccc2c(c1)CC[C@H]2NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826294527 607815264 /nfs/dbraw/zinc/81/52/64/607815264.db2.gz UHAGOKOVRPNTAO-GOSISDBHSA-N 0 1 383.477 2.226 20 0 GEADMN O=C(NCCCCN1CCOCC1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826435878 607833790 /nfs/dbraw/zinc/83/37/90/607833790.db2.gz ACBLQMLJHMCQMY-UHFFFAOYSA-N 0 1 399.282 2.016 20 0 GEADMN COCC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000826158854 607920917 /nfs/dbraw/zinc/92/09/17/607920917.db2.gz GCJLQQNKQKSDCQ-UHFFFAOYSA-N 0 1 381.436 2.302 20 0 GEADMN COCC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000826158854 607920918 /nfs/dbraw/zinc/92/09/18/607920918.db2.gz GCJLQQNKQKSDCQ-UHFFFAOYSA-N 0 1 381.436 2.302 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826077690 608019584 /nfs/dbraw/zinc/01/95/84/608019584.db2.gz QREHONILLMGGNP-NSHDSACASA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826077690 608019585 /nfs/dbraw/zinc/01/95/85/608019585.db2.gz QREHONILLMGGNP-NSHDSACASA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1-c1nnn[n-]1 ZINC000826077829 608020049 /nfs/dbraw/zinc/02/00/49/608020049.db2.gz XDFOHJGKEGEENH-YPMHNXCESA-N 0 1 398.471 2.030 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1-c1nn[n-]n1 ZINC000826077829 608020050 /nfs/dbraw/zinc/02/00/50/608020050.db2.gz XDFOHJGKEGEENH-YPMHNXCESA-N 0 1 398.471 2.030 20 0 GEADMN CC[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825082063 608020248 /nfs/dbraw/zinc/02/02/48/608020248.db2.gz PVARSPZXHOWDHN-ZDUSSCGKSA-N 0 1 382.472 2.264 20 0 GEADMN CC[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825082063 608020249 /nfs/dbraw/zinc/02/02/49/608020249.db2.gz PVARSPZXHOWDHN-ZDUSSCGKSA-N 0 1 382.472 2.264 20 0 GEADMN Cc1ccc(SCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826292969 608036090 /nfs/dbraw/zinc/03/60/90/608036090.db2.gz VHAWRBOOUKXXSS-UHFFFAOYSA-N 0 1 386.529 2.446 20 0 GEADMN Cc1ccc(SCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826292969 608036091 /nfs/dbraw/zinc/03/60/91/608036091.db2.gz VHAWRBOOUKXXSS-UHFFFAOYSA-N 0 1 386.529 2.446 20 0 GEADMN Cc1ccc(SCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826292969 608036092 /nfs/dbraw/zinc/03/60/92/608036092.db2.gz VHAWRBOOUKXXSS-UHFFFAOYSA-N 0 1 386.529 2.446 20 0 GEADMN Cc1ccc(SCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826292969 608036093 /nfs/dbraw/zinc/03/60/93/608036093.db2.gz VHAWRBOOUKXXSS-UHFFFAOYSA-N 0 1 386.529 2.446 20 0 GEADMN COc1ccc2c(c1)CCN([C@@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000826213488 608038035 /nfs/dbraw/zinc/03/80/35/608038035.db2.gz YMWZSBFSFVZWOL-AWEZNQCLSA-N 0 1 392.463 2.303 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1-c1nn[nH]n1 ZINC000826229713 608087174 /nfs/dbraw/zinc/08/71/74/608087174.db2.gz OGDRZIDCFLJPKJ-UHFFFAOYSA-N 0 1 394.420 2.332 20 0 GEADMN COCCn1ccc2ccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)cc21 ZINC000826163640 608148979 /nfs/dbraw/zinc/14/89/79/608148979.db2.gz DMYCOERXJROWSR-UHFFFAOYSA-N 0 1 398.448 2.269 20 0 GEADMN CC(C)c1ccc([C@@H]2CCCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000824348010 608180199 /nfs/dbraw/zinc/18/01/99/608180199.db2.gz WQXUYLYUKABSFV-INIZCTEOSA-N 0 1 380.456 2.335 20 0 GEADMN O[C@@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CC[N@H+](Cc2ccccc2)C1 ZINC000826505938 608187072 /nfs/dbraw/zinc/18/70/72/608187072.db2.gz IRVXJFRSQLXUHP-MRXNPFEDSA-N 0 1 391.888 2.026 20 0 GEADMN O[C@@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000826505938 608187074 /nfs/dbraw/zinc/18/70/74/608187074.db2.gz IRVXJFRSQLXUHP-MRXNPFEDSA-N 0 1 391.888 2.026 20 0 GEADMN O[C@@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CC[N@H+](Cc2ccccc2)C1 ZINC000826505938 608187076 /nfs/dbraw/zinc/18/70/76/608187076.db2.gz IRVXJFRSQLXUHP-MRXNPFEDSA-N 0 1 391.888 2.026 20 0 GEADMN O[C@@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000826505938 608187078 /nfs/dbraw/zinc/18/70/78/608187078.db2.gz IRVXJFRSQLXUHP-MRXNPFEDSA-N 0 1 391.888 2.026 20 0 GEADMN CN(C)C1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000825855887 608209510 /nfs/dbraw/zinc/20/95/10/608209510.db2.gz LQKLDRLIBPHODL-UHFFFAOYSA-N 0 1 380.477 2.404 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000826186929 608219905 /nfs/dbraw/zinc/21/99/05/608219905.db2.gz QNPACVSVXOJMFO-UHFFFAOYSA-N 0 1 387.421 2.001 20 0 GEADMN CCC[N@@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825307529 608226071 /nfs/dbraw/zinc/22/60/71/608226071.db2.gz CSLKOJVBMUAXPS-UHFFFAOYSA-N 0 1 380.452 2.327 20 0 GEADMN CCN1C[C@H](C)N(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825444597 608247291 /nfs/dbraw/zinc/24/72/91/608247291.db2.gz OYACCSWODMUXED-CVEARBPZSA-N 0 1 386.500 2.357 20 0 GEADMN Cc1c([C@@H](C)NCCOc2ccc(-c3nn[nH]n3)cc2)nnn1-c1ccccc1 ZINC000826235878 608281888 /nfs/dbraw/zinc/28/18/88/608281888.db2.gz UAHQQXRTWXLSQQ-CQSZACIVSA-N 0 1 390.451 2.485 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1-c1nnn[n-]1 ZINC000826332517 608313707 /nfs/dbraw/zinc/31/37/07/608313707.db2.gz WRFHEZOZKYVDBB-RHSMWYFYSA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1-c1nnn[n-]1 ZINC000826332517 608313709 /nfs/dbraw/zinc/31/37/09/608313709.db2.gz WRFHEZOZKYVDBB-RHSMWYFYSA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1-c1nn[n-]n1 ZINC000826332517 608313711 /nfs/dbraw/zinc/31/37/11/608313711.db2.gz WRFHEZOZKYVDBB-RHSMWYFYSA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1-c1nn[n-]n1 ZINC000826332517 608313713 /nfs/dbraw/zinc/31/37/13/608313713.db2.gz WRFHEZOZKYVDBB-RHSMWYFYSA-N 0 1 378.484 2.029 20 0 GEADMN COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826158061 608313733 /nfs/dbraw/zinc/31/37/33/608313733.db2.gz YJJUYQNQLADSAI-UHFFFAOYSA-N 0 1 392.529 2.139 20 0 GEADMN COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826158061 608313735 /nfs/dbraw/zinc/31/37/35/608313735.db2.gz YJJUYQNQLADSAI-UHFFFAOYSA-N 0 1 392.529 2.139 20 0 GEADMN COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826158061 608313736 /nfs/dbraw/zinc/31/37/36/608313736.db2.gz YJJUYQNQLADSAI-UHFFFAOYSA-N 0 1 392.529 2.139 20 0 GEADMN COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826158061 608313738 /nfs/dbraw/zinc/31/37/38/608313738.db2.gz YJJUYQNQLADSAI-UHFFFAOYSA-N 0 1 392.529 2.139 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC000826332313 608317389 /nfs/dbraw/zinc/31/73/89/608317389.db2.gz PSUVPARDGLMUMD-WMZOPIPTSA-N 0 1 392.511 2.277 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC000826332313 608317390 /nfs/dbraw/zinc/31/73/90/608317390.db2.gz PSUVPARDGLMUMD-WMZOPIPTSA-N 0 1 392.511 2.277 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@H]([NH2+]C(C)C)C2)c1-c1nn[n-]n1 ZINC000826332601 608317408 /nfs/dbraw/zinc/31/74/08/608317408.db2.gz ZBUGMYJZHWYYSR-INIZCTEOSA-N 0 1 380.500 2.323 20 0 GEADMN O=C1[C@H](N2CCC[C@@H](C[C@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476455 608327145 /nfs/dbraw/zinc/32/71/45/608327145.db2.gz IDFQQPUMLVBUNP-FRQCXROJSA-N 0 1 396.495 2.111 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCCc2sccc2C)cc1-c1nn[nH]n1 ZINC000826229474 608359138 /nfs/dbraw/zinc/35/91/38/608359138.db2.gz GCWXWJXHVUOMLI-UHFFFAOYSA-N 0 1 376.467 2.032 20 0 GEADMN CCc1cnccc1[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825735658 608359543 /nfs/dbraw/zinc/35/95/43/608359543.db2.gz SEIOCWVAJIEGPK-VIFPVBQESA-N 0 1 385.453 2.138 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000826170433 608428391 /nfs/dbraw/zinc/42/83/91/608428391.db2.gz ZURNTWFGFJAKPT-CYBMUJFWSA-N 0 1 376.424 2.307 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000826170434 608428596 /nfs/dbraw/zinc/42/85/96/608428596.db2.gz ZURNTWFGFJAKPT-ZDUSSCGKSA-N 0 1 376.424 2.307 20 0 GEADMN COc1ccc(C)cc1[C@H](C)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826190201 608429575 /nfs/dbraw/zinc/42/95/75/608429575.db2.gz TVAZMDCSHOXKFC-AWEZNQCLSA-N 0 1 380.452 2.151 20 0 GEADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826177957 608446557 /nfs/dbraw/zinc/44/65/57/608446557.db2.gz CPWDUCBAKILVGY-ZDUSSCGKSA-N 0 1 396.451 2.482 20 0 GEADMN Cc1cccn2c(=O)cc(CN3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)nc12 ZINC000826308401 608460741 /nfs/dbraw/zinc/46/07/41/608460741.db2.gz XUCVBGWFWKPPOW-UHFFFAOYSA-N 0 1 399.458 2.472 20 0 GEADMN C[C@@H](NCC(=O)N(C)CCCOc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554707 608461910 /nfs/dbraw/zinc/46/19/10/608461910.db2.gz QYXQCBMGRUGEAN-MRXNPFEDSA-N 0 1 394.479 2.445 20 0 GEADMN O=c1c2ccccc2ncn1CCN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826501511 608464404 /nfs/dbraw/zinc/46/44/04/608464404.db2.gz UBYIHKLGFJLOMJ-UHFFFAOYSA-N 0 1 399.458 2.366 20 0 GEADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000824530736 608468614 /nfs/dbraw/zinc/46/86/14/608468614.db2.gz MZFNMQNZKZZGOC-WDEREUQCSA-N 0 1 392.423 2.126 20 0 GEADMN C[C@@H](NCC(=O)Nc1cccc2nsnc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824563349 608489521 /nfs/dbraw/zinc/48/95/21/608489521.db2.gz NBYSCBRETBVZDK-SNVBAGLBSA-N 0 1 380.437 2.161 20 0 GEADMN CCN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H]1COc2ccccc2O1 ZINC000825445304 608499772 /nfs/dbraw/zinc/49/97/72/608499772.db2.gz ZSVFELOXSYBTTN-MRXNPFEDSA-N 0 1 391.435 2.176 20 0 GEADMN COCCOc1ncccc1CN[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826163300 608502246 /nfs/dbraw/zinc/50/22/46/608502246.db2.gz ODLWIXQFVSANKU-SFHVURJKSA-N 0 1 380.452 2.454 20 0 GEADMN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)nc1 ZINC000826290449 608560051 /nfs/dbraw/zinc/56/00/51/608560051.db2.gz MWUGROTVQOIKGQ-ZDUSSCGKSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)nc1 ZINC000826290449 608560052 /nfs/dbraw/zinc/56/00/52/608560052.db2.gz MWUGROTVQOIKGQ-ZDUSSCGKSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)nc1 ZINC000826290449 608560053 /nfs/dbraw/zinc/56/00/53/608560053.db2.gz MWUGROTVQOIKGQ-ZDUSSCGKSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)nc1 ZINC000826290449 608560054 /nfs/dbraw/zinc/56/00/54/608560054.db2.gz MWUGROTVQOIKGQ-ZDUSSCGKSA-N 0 1 383.481 2.482 20 0 GEADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000826457906 608560859 /nfs/dbraw/zinc/56/08/59/608560859.db2.gz VKFMOEGTVLZKQO-UHFFFAOYSA-N 0 1 384.465 2.137 20 0 GEADMN C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000824925229 608577902 /nfs/dbraw/zinc/57/79/02/608577902.db2.gz BVBPACIDRASLTI-UOIKSKOESA-N 0 1 394.483 2.405 20 0 GEADMN C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824925229 608577903 /nfs/dbraw/zinc/57/79/03/608577903.db2.gz BVBPACIDRASLTI-UOIKSKOESA-N 0 1 394.483 2.405 20 0 GEADMN Fc1cccc(F)c1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826377028 608591336 /nfs/dbraw/zinc/59/13/36/608591336.db2.gz BAKVWEGCSFCOJF-UHFFFAOYSA-N 0 1 387.394 2.333 20 0 GEADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)o1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000825961109 608612330 /nfs/dbraw/zinc/61/23/30/608612330.db2.gz ATIHKLNWGIIHDO-LBPRGKRZSA-N 0 1 397.357 2.350 20 0 GEADMN Cc1cc(C)c(C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1C ZINC000826262880 608836225 /nfs/dbraw/zinc/83/62/25/608836225.db2.gz BPMFODGWBQYGEV-INIZCTEOSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1C ZINC000826262880 608836226 /nfs/dbraw/zinc/83/62/26/608836226.db2.gz BPMFODGWBQYGEV-INIZCTEOSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1C ZINC000826262880 608836228 /nfs/dbraw/zinc/83/62/28/608836228.db2.gz BPMFODGWBQYGEV-INIZCTEOSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1C ZINC000826262880 608836230 /nfs/dbraw/zinc/83/62/30/608836230.db2.gz 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NC(=O)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1Cl ZINC000826388546 609186874 /nfs/dbraw/zinc/18/68/74/609186874.db2.gz CYIKPEYMAJWNKX-NSHDSACASA-N 0 1 376.873 2.015 20 0 GEADMN NC(=O)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1Cl ZINC000826388546 609186876 /nfs/dbraw/zinc/18/68/76/609186876.db2.gz CYIKPEYMAJWNKX-NSHDSACASA-N 0 1 376.873 2.015 20 0 GEADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826432368 609192908 /nfs/dbraw/zinc/19/29/08/609192908.db2.gz YWFMFSCPXJIJNW-UHFFFAOYSA-N 0 1 385.859 2.243 20 0 GEADMN O=C(CCN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826407282 609272544 /nfs/dbraw/zinc/27/25/44/609272544.db2.gz HPVSBKHDKDPBEZ-UHFFFAOYSA-N 0 1 393.451 2.127 20 0 GEADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](Cc4ccnc(-c5nn[nH]n5)c4)C3)n2)cc1 ZINC000826519224 609293919 /nfs/dbraw/zinc/29/39/19/609293919.db2.gz PDCMYBKNDZGYEB-MRXNPFEDSA-N 0 1 387.451 2.426 20 0 GEADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](Cc4ccnc(-c5nn[n-]n5)c4)C3)n2)cc1 ZINC000826519224 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Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826332234 609379578 /nfs/dbraw/zinc/37/95/78/609379578.db2.gz NSUJXVFOQCZZRG-YJBOKZPZSA-N 0 1 381.484 2.344 20 0 GEADMN COc1cc(F)cc(CN[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826179900 609417009 /nfs/dbraw/zinc/41/70/09/609417009.db2.gz JWOCTRSZQWTZCF-SFHVURJKSA-N 0 1 396.426 2.300 20 0 GEADMN CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CCN(CCc2ccccc2)CC1 ZINC000824019685 609420072 /nfs/dbraw/zinc/42/00/72/609420072.db2.gz LCHGAPKLMZWBBQ-UHFFFAOYSA-N 0 1 376.464 2.434 20 0 GEADMN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000824024769 609468068 /nfs/dbraw/zinc/46/80/68/609468068.db2.gz OUIRIMNMBXITTF-UHFFFAOYSA-N 0 1 375.385 2.318 20 0 GEADMN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000826280379 609469550 /nfs/dbraw/zinc/46/95/50/609469550.db2.gz ZOSPXTAUDYDSQQ-UHFFFAOYSA-N 0 1 395.448 2.470 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC=C(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826229849 609501036 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/nfs/dbraw/zinc/06/38/82/606063882.db2.gz RVDWVSPDBNSYLB-UHFFFAOYSA-N 0 1 382.497 2.308 20 0 GEADMN O=C([O-])Nc1ccccc1CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000834274625 606066841 /nfs/dbraw/zinc/06/68/41/606066841.db2.gz WRERXKLXHDQQSK-NRFANRHFSA-N 0 1 383.448 2.072 20 0 GEADMN COc1cc(CN2CCN(Cc3ccccc3-c3nn[nH]n3)CC2)cc(OC)c1 ZINC000821717177 606159872 /nfs/dbraw/zinc/15/98/72/606159872.db2.gz JNQLJIPPNIXCJE-UHFFFAOYSA-N 0 1 394.479 2.202 20 0 GEADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000822650609 606236890 /nfs/dbraw/zinc/23/68/90/606236890.db2.gz WOENHPJXBNMMRG-OAHLLOKOSA-N 0 1 378.396 2.185 20 0 GEADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823154415 606248178 /nfs/dbraw/zinc/24/81/78/606248178.db2.gz AHFWTBNEWURCGP-UHFFFAOYSA-N 0 1 385.859 2.243 20 0 GEADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000821617880 606278991 /nfs/dbraw/zinc/27/89/91/606278991.db2.gz GTIDABGLEVYZRY-UHFFFAOYSA-N 0 1 392.448 2.408 20 0 GEADMN C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1)c1nnc[nH]1 ZINC000820396936 606288278 /nfs/dbraw/zinc/28/82/78/606288278.db2.gz JVGZSLARYBJSKH-GFCCVEGCSA-N 0 1 390.407 2.055 20 0 GEADMN CCCO[C@@H]1CCCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821127213 606322419 /nfs/dbraw/zinc/32/24/19/606322419.db2.gz CYHPETUCJCUTAI-UKRRQHHQSA-N 0 1 390.513 2.315 20 0 GEADMN CN(CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1)Cc1ccc(F)cc1 ZINC000821602812 606366247 /nfs/dbraw/zinc/36/62/47/606366247.db2.gz WCQRHLQNCCMMBZ-FLIBITNWSA-N 0 1 380.427 2.267 20 0 GEADMN CN(CCNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)Cc1ccc(F)cc1 ZINC000821602741 606382839 /nfs/dbraw/zinc/38/28/39/606382839.db2.gz RNAJDFDJLUSAKM-UHFFFAOYSA-N 0 1 387.394 2.398 20 0 GEADMN CN(CCNC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1 ZINC000821602703 606386428 /nfs/dbraw/zinc/38/64/28/606386428.db2.gz PEQBWRWKDLRZEX-UHFFFAOYSA-N 0 1 397.458 2.279 20 0 GEADMN CN(CCNC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1 ZINC000821602752 606386504 /nfs/dbraw/zinc/38/65/04/606386504.db2.gz SFRCLFCZUJVCJY-UHFFFAOYSA-N 0 1 397.458 2.279 20 0 GEADMN CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000821170615 606404015 /nfs/dbraw/zinc/40/40/15/606404015.db2.gz UPOBTDQTPSCWCF-INIZCTEOSA-N 0 1 384.509 2.498 20 0 GEADMN CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000821170615 606404017 /nfs/dbraw/zinc/40/40/17/606404017.db2.gz UPOBTDQTPSCWCF-INIZCTEOSA-N 0 1 384.509 2.498 20 0 GEADMN COC(=O)CC1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821658652 606484030 /nfs/dbraw/zinc/48/40/30/606484030.db2.gz DKMNABIDYNBOOH-UHFFFAOYSA-N 0 1 381.383 2.243 20 0 GEADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC000822850385 606521942 /nfs/dbraw/zinc/52/19/42/606521942.db2.gz GABWOGURKVJORV-SFHVURJKSA-N 0 1 380.427 2.412 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1-c1nn[nH]n1 ZINC000821979484 606585402 /nfs/dbraw/zinc/58/54/02/606585402.db2.gz SHUIQGIZPOYEFC-ZETCQYMHSA-N 0 1 392.391 2.458 20 0 GEADMN O=c1[nH]c(SCc2ccc(-c3nn[nH]n3)cc2OC(F)F)nc2n[nH]cc21 ZINC000823656739 606596240 /nfs/dbraw/zinc/59/62/40/606596240.db2.gz GHJWPQFHTKANHC-UHFFFAOYSA-N 0 1 392.351 2.132 20 0 GEADMN CN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc([S@](C)=O)cc1 ZINC000821598323 606623425 /nfs/dbraw/zinc/62/34/25/606623425.db2.gz YLBGLMNOBXRDMZ-NDEPHWFRSA-N 0 1 398.492 2.065 20 0 GEADMN C[C@@H](NCc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C(=O)N(C)C ZINC000821995029 606628211 /nfs/dbraw/zinc/62/82/11/606628211.db2.gz UZPYFBPHSAAVAQ-CQSZACIVSA-N 0 1 380.452 2.012 20 0 GEADMN CN1CCN(c2ccccc2NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821629057 606666276 /nfs/dbraw/zinc/66/62/76/606666276.db2.gz XPGMRSWUTDNVMQ-UHFFFAOYSA-N 0 1 399.405 2.149 20 0 GEADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820709533 606670127 /nfs/dbraw/zinc/67/01/27/606670127.db2.gz JYVLDQRNKMEWKM-LBPRGKRZSA-N 0 1 378.427 2.387 20 0 GEADMN CN(C)Cc1cc(CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)ccc1F ZINC000821587092 606685088 /nfs/dbraw/zinc/68/50/88/606685088.db2.gz GHMRSOUJTLZEOS-UHFFFAOYSA-N 0 1 390.369 2.276 20 0 GEADMN O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823375873 606697037 /nfs/dbraw/zinc/69/70/37/606697037.db2.gz NMUGCEOQGZYESC-UHFFFAOYSA-N 0 1 386.297 2.321 20 0 GEADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000821589212 606751145 /nfs/dbraw/zinc/75/11/45/606751145.db2.gz CQISOUFZGJVLDZ-UHFFFAOYSA-N 0 1 384.465 2.222 20 0 GEADMN COCCOc1ccccc1N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821693663 606761738 /nfs/dbraw/zinc/76/17/38/606761738.db2.gz INZHOBWHIGGPNF-UHFFFAOYSA-N 0 1 394.479 2.214 20 0 GEADMN COc1c(F)cc(F)cc1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821698705 606768948 /nfs/dbraw/zinc/76/89/48/606768948.db2.gz VNQRSKSILJNGET-UHFFFAOYSA-N 0 1 394.363 2.228 20 0 GEADMN Cc1ccccc1CCC[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822356436 606785900 /nfs/dbraw/zinc/78/59/00/606785900.db2.gz SIAGRMZLHUZZMF-MRXNPFEDSA-N 0 1 378.484 2.108 20 0 GEADMN Cc1ccccc1CCC[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822356436 606785902 /nfs/dbraw/zinc/78/59/02/606785902.db2.gz SIAGRMZLHUZZMF-MRXNPFEDSA-N 0 1 378.484 2.108 20 0 GEADMN Cc1ccccc1CCC[N@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822356436 606785904 /nfs/dbraw/zinc/78/59/04/606785904.db2.gz SIAGRMZLHUZZMF-MRXNPFEDSA-N 0 1 378.484 2.108 20 0 GEADMN Cc1ccccc1CCC[N@@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822356436 606785906 /nfs/dbraw/zinc/78/59/06/606785906.db2.gz SIAGRMZLHUZZMF-MRXNPFEDSA-N 0 1 378.484 2.108 20 0 GEADMN O=S(=O)(N[C@@H]1CCCc2occc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572800 606885434 /nfs/dbraw/zinc/88/54/34/606885434.db2.gz NBZKOWXHICXDSU-GFCCVEGCSA-N 0 1 381.364 2.094 20 0 GEADMN CC(C)(CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000819983967 606885656 /nfs/dbraw/zinc/88/56/56/606885656.db2.gz KWZCRIHYJWMSJA-UHFFFAOYSA-N 0 1 393.419 2.401 20 0 GEADMN C[C@@H](Cc1cccs1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820300559 606885961 /nfs/dbraw/zinc/88/59/61/606885961.db2.gz QPDIBPKHRLEQCM-QMMMGPOBSA-N 0 1 385.421 2.116 20 0 GEADMN C[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccc(F)cc1 ZINC000820276162 606887385 /nfs/dbraw/zinc/88/73/85/606887385.db2.gz SZMHJLFXWXRJOS-VIFPVBQESA-N 0 1 397.382 2.366 20 0 GEADMN CC(C)(CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000819984163 606891422 /nfs/dbraw/zinc/89/14/22/606891422.db2.gz PLRSTBKRJVJGIP-UHFFFAOYSA-N 0 1 399.448 2.463 20 0 GEADMN CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821453424 606894206 /nfs/dbraw/zinc/89/42/06/606894206.db2.gz AEQTYJJLECPPQM-NEPJUHHUSA-N 0 1 389.453 2.097 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000821988250 606914788 /nfs/dbraw/zinc/91/47/88/606914788.db2.gz DIOINEIDDBBPAO-MEBBXXQBSA-N 0 1 399.524 2.074 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000821988250 606914790 /nfs/dbraw/zinc/91/47/90/606914790.db2.gz DIOINEIDDBBPAO-MEBBXXQBSA-N 0 1 399.524 2.074 20 0 GEADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820704268 606935846 /nfs/dbraw/zinc/93/58/46/606935846.db2.gz NGOOENGTMDZJKV-HNNXBMFYSA-N 0 1 383.500 2.378 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820704268 606935848 /nfs/dbraw/zinc/93/58/48/606935848.db2.gz NGOOENGTMDZJKV-HNNXBMFYSA-N 0 1 383.500 2.378 20 0 GEADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820704268 606935851 /nfs/dbraw/zinc/93/58/51/606935851.db2.gz NGOOENGTMDZJKV-HNNXBMFYSA-N 0 1 383.500 2.378 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820704268 606935853 /nfs/dbraw/zinc/93/58/53/606935853.db2.gz NGOOENGTMDZJKV-HNNXBMFYSA-N 0 1 383.500 2.378 20 0 GEADMN COC(C)(C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821672347 606985634 /nfs/dbraw/zinc/98/56/34/606985634.db2.gz HQSMRZQNUYVOBA-JTQLQIEISA-N 0 1 378.502 2.101 20 0 GEADMN CC(=O)c1cccc(C(=O)N(CCN(C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819833510 606997892 /nfs/dbraw/zinc/99/78/92/606997892.db2.gz GJIKRANHFUAUAE-UHFFFAOYSA-N 0 1 392.463 2.273 20 0 GEADMN CC(C)C[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820067322 607022904 /nfs/dbraw/zinc/02/29/04/607022904.db2.gz ICNIHYOLGSUCIV-WMLDXEAASA-N 0 1 382.468 2.257 20 0 GEADMN C[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C[C@@H](O)c1ccccc1 ZINC000820760740 607064189 /nfs/dbraw/zinc/06/41/89/607064189.db2.gz SRUXPYHPIORNNS-FOIQADDNSA-N 0 1 396.470 2.246 20 0 GEADMN Cc1ccnc(N2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822374212 607076567 /nfs/dbraw/zinc/07/65/67/607076567.db2.gz MCTQWUVRJFIIIL-UHFFFAOYSA-N 0 1 379.468 2.161 20 0 GEADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820958709 607106967 /nfs/dbraw/zinc/10/69/67/607106967.db2.gz XQPIBMFBKMEIKD-IAGOWNOFSA-N 0 1 386.500 2.008 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000822200009 607121039 /nfs/dbraw/zinc/12/10/39/607121039.db2.gz QNRCAWVGTUJJDY-MRVPVSSYSA-N 0 1 376.877 2.469 20 0 GEADMN COc1cccc2c1CC[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821877290 607142280 /nfs/dbraw/zinc/14/22/80/607142280.db2.gz GNMJDSSBJHCWFH-ZDUSSCGKSA-N 0 1 398.448 2.115 20 0 GEADMN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)C1 ZINC000820697636 607210891 /nfs/dbraw/zinc/21/08/91/607210891.db2.gz JUDWWHSLHMAGCM-CJNGLKHVSA-N 0 1 396.455 2.192 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(CCCc2ccccc2)cc1 ZINC000823130987 607213373 /nfs/dbraw/zinc/21/33/73/607213373.db2.gz AMSCMCWHAKMGLN-UHFFFAOYSA-N 0 1 388.435 2.272 20 0 GEADMN Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCC(C)CC1 ZINC000822351548 607216977 /nfs/dbraw/zinc/21/69/77/607216977.db2.gz OFKLUMDNSRGFBJ-LEHRNKBSSA-N 0 1 394.483 2.450 20 0 GEADMN Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OCC1CCCCC1 ZINC000822248783 607219125 /nfs/dbraw/zinc/21/91/25/607219125.db2.gz NOKYAPMVQJFKBY-UHFFFAOYSA-N 0 1 396.455 2.364 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc2cc(Br)ccc2c1 ZINC000823136099 607224605 /nfs/dbraw/zinc/22/46/05/607224605.db2.gz JWDKQYXKSHZSFR-UHFFFAOYSA-N 0 1 399.212 2.013 20 0 GEADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823150315 607233077 /nfs/dbraw/zinc/23/30/77/607233077.db2.gz OCHAPFSMXYBUMQ-OAHLLOKOSA-N 0 1 397.870 2.310 20 0 GEADMN CCC(CC)[C@@H](CNC(=O)NCc1nnc(SC)s1)N1CCOCC1 ZINC000446096595 649971286 /nfs/dbraw/zinc/97/12/86/649971286.db2.gz TUTVGLUAEPQBRV-CYBMUJFWSA-N 0 1 387.575 2.196 20 0 GEADMN C[C@@H](NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000824599065 607814504 /nfs/dbraw/zinc/81/45/04/607814504.db2.gz LQLBSSZBCSKHPU-LLVKDONJSA-N 0 1 393.419 2.269 20 0 GEADMN CCC(CC)[C@H](CNC(=O)NCc1nnc(SC)s1)N1CCOCC1 ZINC000446096597 649971770 /nfs/dbraw/zinc/97/17/70/649971770.db2.gz TUTVGLUAEPQBRV-ZDUSSCGKSA-N 0 1 387.575 2.196 20 0 GEADMN O=C(CN(Cc1ccccc1)[C@@H](CO)C1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826409822 607858748 /nfs/dbraw/zinc/85/87/48/607858748.db2.gz QKHWNBRTIJRWLL-IBGZPJMESA-N 0 1 392.463 2.078 20 0 GEADMN COCC[N@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826158264 607921726 /nfs/dbraw/zinc/92/17/26/607921726.db2.gz HWANRQCHMCGIMF-UHFFFAOYSA-N 0 1 395.463 2.344 20 0 GEADMN COCC[N@@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826158264 607921727 /nfs/dbraw/zinc/92/17/27/607921727.db2.gz HWANRQCHMCGIMF-UHFFFAOYSA-N 0 1 395.463 2.344 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826077344 608020540 /nfs/dbraw/zinc/02/05/40/608020540.db2.gz DVEKDPRUTXCWJH-UHFFFAOYSA-N 0 1 394.892 2.028 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826077344 608020541 /nfs/dbraw/zinc/02/05/41/608020541.db2.gz DVEKDPRUTXCWJH-UHFFFAOYSA-N 0 1 394.892 2.028 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826073093 608020832 /nfs/dbraw/zinc/02/08/32/608020832.db2.gz DPUYXKSXMDMPFT-JTQLQIEISA-N 0 1 388.863 2.137 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826073093 608020833 /nfs/dbraw/zinc/02/08/33/608020833.db2.gz DPUYXKSXMDMPFT-JTQLQIEISA-N 0 1 388.863 2.137 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](Cc2ccccc2)C(C)C)c1-c1nnn[n-]1 ZINC000826073507 608021219 /nfs/dbraw/zinc/02/12/19/608021219.db2.gz VGDIGVXZGLFSJE-OAHLLOKOSA-N 0 1 396.499 2.195 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](Cc2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000826073507 608021220 /nfs/dbraw/zinc/02/12/20/608021220.db2.gz VGDIGVXZGLFSJE-OAHLLOKOSA-N 0 1 396.499 2.195 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(Cl)cs2)c1-c1nnn[n-]1 ZINC000826077438 608022193 /nfs/dbraw/zinc/02/21/93/608022193.db2.gz ICIYRWZLWGVSRR-UHFFFAOYSA-N 0 1 394.892 2.028 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(Cl)cs2)c1-c1nn[n-]n1 ZINC000826077438 608022194 /nfs/dbraw/zinc/02/21/94/608022194.db2.gz ICIYRWZLWGVSRR-UHFFFAOYSA-N 0 1 394.892 2.028 20 0 GEADMN Cn1c(CCN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)nc2ccccc21 ZINC000826355018 608070808 /nfs/dbraw/zinc/07/08/08/608070808.db2.gz GZIUXAWHLXSTAL-IBGZPJMESA-N 0 1 389.463 2.369 20 0 GEADMN COc1cc(CN2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)ccn1 ZINC000826179405 608104672 /nfs/dbraw/zinc/10/46/72/608104672.db2.gz NAUBCPKVKKZMFK-UHFFFAOYSA-N 0 1 393.451 2.121 20 0 GEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826321902 608121665 /nfs/dbraw/zinc/12/16/65/608121665.db2.gz SZQNGLVXAMOICB-UHFFFAOYSA-N 0 1 398.446 2.123 20 0 GEADMN CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824173253 608140206 /nfs/dbraw/zinc/14/02/06/608140206.db2.gz WGCMTTUULSJMQO-UHFFFAOYSA-N 0 1 398.492 2.310 20 0 GEADMN CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824173253 608140207 /nfs/dbraw/zinc/14/02/07/608140207.db2.gz WGCMTTUULSJMQO-UHFFFAOYSA-N 0 1 398.492 2.310 20 0 GEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000826321774 608190168 /nfs/dbraw/zinc/19/01/68/608190168.db2.gz OZEMJFMNJMZQIK-UHFFFAOYSA-N 0 1 391.439 2.342 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cc1-c1nn[n-]n1 ZINC000826229843 608206585 /nfs/dbraw/zinc/20/65/85/608206585.db2.gz UAEVTNQFDMLFNV-UHFFFAOYSA-N 0 1 399.480 2.312 20 0 GEADMN CCN1C[C@@H](C)N(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825444599 608247371 /nfs/dbraw/zinc/24/73/71/608247371.db2.gz OYACCSWODMUXED-HZPDHXFCSA-N 0 1 386.500 2.357 20 0 GEADMN CC[C@H]1CN(CCCOc2ccc(-c3nn[nH]n3)cc2)CCN1CC(F)F ZINC000825210813 608257272 /nfs/dbraw/zinc/25/72/72/608257272.db2.gz JHHNYKZJIVAFNG-HNNXBMFYSA-N 0 1 380.443 2.297 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000826332345 608313388 /nfs/dbraw/zinc/31/33/88/608313388.db2.gz QZJGRRZJYKTLDZ-HNNXBMFYSA-N 0 1 389.467 2.084 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000826332345 608313390 /nfs/dbraw/zinc/31/33/90/608313390.db2.gz QZJGRRZJYKTLDZ-HNNXBMFYSA-N 0 1 389.467 2.084 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000826332345 608313392 /nfs/dbraw/zinc/31/33/92/608313392.db2.gz QZJGRRZJYKTLDZ-HNNXBMFYSA-N 0 1 389.467 2.084 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000826332345 608313394 /nfs/dbraw/zinc/31/33/94/608313394.db2.gz QZJGRRZJYKTLDZ-HNNXBMFYSA-N 0 1 389.467 2.084 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC([NH2+]C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826332490 608317171 /nfs/dbraw/zinc/31/71/71/608317171.db2.gz VYJKQDNGVLAWAK-UHFFFAOYSA-N 0 1 380.500 2.323 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]([NH2+]C(C)C)C2)c1-c1nn[n-]n1 ZINC000826332602 608317213 /nfs/dbraw/zinc/31/72/13/608317213.db2.gz ZBUGMYJZHWYYSR-MRXNPFEDSA-N 0 1 380.500 2.323 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000826168756 608352985 /nfs/dbraw/zinc/35/29/85/608352985.db2.gz XPSHWQHSYUEFBC-UHFFFAOYSA-N 0 1 392.463 2.270 20 0 GEADMN COc1ccc(F)cc1[C@H](C)NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826208904 608459691 /nfs/dbraw/zinc/45/96/91/608459691.db2.gz FKMJEDDCUNBBRC-SWLSCSKDSA-N 0 1 387.415 2.105 20 0 GEADMN C[C@H](NCC(=O)N(C)CCCOc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554706 608461883 /nfs/dbraw/zinc/46/18/83/608461883.db2.gz QYXQCBMGRUGEAN-INIZCTEOSA-N 0 1 394.479 2.445 20 0 GEADMN C[C@@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555804 608466703 /nfs/dbraw/zinc/46/67/03/608466703.db2.gz YFKSBTPLUMNNPI-RISCZKNCSA-N 0 1 382.390 2.318 20 0 GEADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826218787 608467069 /nfs/dbraw/zinc/46/70/69/608467069.db2.gz KVMXYJRIDOLDSC-UONOGXRCSA-N 0 1 380.452 2.403 20 0 GEADMN CCOc1cccc([C@@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825648969 608471831 /nfs/dbraw/zinc/47/18/31/608471831.db2.gz IMEFOYNILYRPHT-CQSZACIVSA-N 0 1 380.452 2.232 20 0 GEADMN COc1ccc([C@@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826188532 608472748 /nfs/dbraw/zinc/47/27/48/608472748.db2.gz ZSNYKUDZOSRONI-GFCCVEGCSA-N 0 1 382.424 2.173 20 0 GEADMN Cc1ccccc1CN1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826307687 608503084 /nfs/dbraw/zinc/50/30/84/608503084.db2.gz SJEVSQRQJHZRRL-UHFFFAOYSA-N 0 1 388.479 2.141 20 0 GEADMN COc1c(C)cc(CN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1C ZINC000826166970 608510520 /nfs/dbraw/zinc/51/05/20/608510520.db2.gz JPPIENNLERBHTP-UHFFFAOYSA-N 0 1 379.468 2.209 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCc1cccc(Cl)c1 ZINC000826412197 608530073 /nfs/dbraw/zinc/53/00/73/608530073.db2.gz GDHJRGPMRMARHJ-UHFFFAOYSA-N 0 1 382.855 2.415 20 0 GEADMN CCN(Cc1ccccc1)C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825439455 608530113 /nfs/dbraw/zinc/53/01/13/608530113.db2.gz COUZNWALCFKJBD-UHFFFAOYSA-N 0 1 376.464 2.494 20 0 GEADMN CC(=O)c1cccc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000824029843 608530238 /nfs/dbraw/zinc/53/02/38/608530238.db2.gz RAHGIXZJBOPEAW-UHFFFAOYSA-N 0 1 376.420 2.287 20 0 GEADMN CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccnc(-c4nnn[n-]4)c3)ccc2NC1=O ZINC000825219200 608538083 /nfs/dbraw/zinc/53/80/83/608538083.db2.gz HXGCZGSUBUWEHH-ZBEGNZNMSA-N 0 1 379.424 2.222 20 0 GEADMN CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccnc(-c4nn[n-]n4)c3)ccc2NC1=O ZINC000825219200 608538085 /nfs/dbraw/zinc/53/80/85/608538085.db2.gz HXGCZGSUBUWEHH-ZBEGNZNMSA-N 0 1 379.424 2.222 20 0 GEADMN Cc1cc([C@@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000826262408 608554281 /nfs/dbraw/zinc/55/42/81/608554281.db2.gz NWKPNYFDDHPPQK-CYBMUJFWSA-N 0 1 389.456 2.439 20 0 GEADMN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824531368 608577839 /nfs/dbraw/zinc/57/78/39/608577839.db2.gz PFIAFTHASZDJBX-ZBEGNZNMSA-N 0 1 386.843 2.170 20 0 GEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824974701 608594075 /nfs/dbraw/zinc/59/40/75/608594075.db2.gz DGNKHLYUCVUGNM-UONOGXRCSA-N 0 1 393.451 2.219 20 0 GEADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCCO[C@H](c2ccccc2)C1 ZINC000826520765 608679831 /nfs/dbraw/zinc/67/98/31/608679831.db2.gz QSEUHEZMOZVUSY-SFHVURJKSA-N 0 1 375.436 2.478 20 0 GEADMN CN(C)c1ccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000825880053 608681295 /nfs/dbraw/zinc/68/12/95/608681295.db2.gz WBNUAGGYGFDZLY-UHFFFAOYSA-N 0 1 379.468 2.371 20 0 GEADMN C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598795 609136698 /nfs/dbraw/zinc/13/66/98/609136698.db2.gz IXRGDPCLERBTKD-CYBMUJFWSA-N 0 1 389.456 2.271 20 0 GEADMN C[C@@H]1CC(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C[C@@H](C)C1 ZINC000824873981 609147053 /nfs/dbraw/zinc/14/70/53/609147053.db2.gz AQYVAPJBALDTOQ-STQMWFEESA-N 0 1 399.499 2.453 20 0 GEADMN C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546506 609152849 /nfs/dbraw/zinc/15/28/49/609152849.db2.gz JNAONLYDQBKARQ-RNCFNFMXSA-N 0 1 386.353 2.210 20 0 GEADMN CC(C)n1cc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824545983 609168745 /nfs/dbraw/zinc/16/87/45/609168745.db2.gz FWFHXIXTQBEPPL-KBXCAEBGSA-N 0 1 394.483 2.490 20 0 GEADMN Cc1ccncc1[C@@H](C)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826314784 609169483 /nfs/dbraw/zinc/16/94/83/609169483.db2.gz MMMZSCSLQSWSEO-KDOFPFPSSA-N 0 1 377.452 2.416 20 0 GEADMN Fc1ccc(-c2nnc3n2C[C@H]([NH2+]Cc2ccc(-c4nnn[n-]4)s2)CC3)cc1 ZINC000826373090 609172988 /nfs/dbraw/zinc/17/29/88/609172988.db2.gz YZIQQSMGEAFDGO-CYBMUJFWSA-N 0 1 396.455 2.430 20 0 GEADMN Fc1ccc(-c2nnc3n2C[C@H]([NH2+]Cc2ccc(-c4nn[n-]n4)s2)CC3)cc1 ZINC000826373090 609172989 /nfs/dbraw/zinc/17/29/89/609172989.db2.gz YZIQQSMGEAFDGO-CYBMUJFWSA-N 0 1 396.455 2.430 20 0 GEADMN NC(=O)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1Cl ZINC000826388545 609187006 /nfs/dbraw/zinc/18/70/06/609187006.db2.gz CYIKPEYMAJWNKX-LLVKDONJSA-N 0 1 376.873 2.015 20 0 GEADMN NC(=O)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1Cl ZINC000826388545 609187007 /nfs/dbraw/zinc/18/70/07/609187007.db2.gz CYIKPEYMAJWNKX-LLVKDONJSA-N 0 1 376.873 2.015 20 0 GEADMN COc1ccccc1[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC1 ZINC000826219118 609199778 /nfs/dbraw/zinc/19/97/78/609199778.db2.gz UBHPHDCMCJMTAX-QGZVFWFLSA-N 0 1 395.467 2.160 20 0 GEADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000824906941 609312198 /nfs/dbraw/zinc/31/21/98/609312198.db2.gz FPEHWCBOAZVCEL-TXEJJXNPSA-N 0 1 384.419 2.003 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1-c1nn[n-]n1 ZINC000826231296 609315540 /nfs/dbraw/zinc/31/55/40/609315540.db2.gz FUSDSCPHQZRWKP-LLVKDONJSA-N 0 1 399.524 2.241 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1-c1nn[n-]n1 ZINC000826231296 609315542 /nfs/dbraw/zinc/31/55/42/609315542.db2.gz FUSDSCPHQZRWKP-LLVKDONJSA-N 0 1 399.524 2.241 20 0 GEADMN C[C@H](NCCNC(=O)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000824599519 609340949 /nfs/dbraw/zinc/34/09/49/609340949.db2.gz QGGKMOUECFLRLW-JTQLQIEISA-N 0 1 390.369 2.365 20 0 GEADMN O[C@@H]1CC[N@H+](Cc2ccccc2CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826507404 609388880 /nfs/dbraw/zinc/38/88/80/609388880.db2.gz 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/nfs/dbraw/zinc/08/70/83/652087083.db2.gz DKUSUMCJPIVAJS-VWLOTQADSA-N 0 1 379.448 2.157 20 0 GEADMN COc1c(F)cc(Br)cc1S(=O)(=O)NCCN1CC[C@H](C)C1 ZINC000745942216 652089625 /nfs/dbraw/zinc/08/96/25/652089625.db2.gz BSOWIUFTAJGHEF-JTQLQIEISA-N 0 1 395.294 2.217 20 0 GEADMN OC[C@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1O ZINC000576020010 652091329 /nfs/dbraw/zinc/09/13/29/652091329.db2.gz RECKWJYDKUONTD-CJNGLKHVSA-N 0 1 378.270 2.081 20 0 GEADMN Cc1nnc(SCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)[nH]1 ZINC000746191832 652097273 /nfs/dbraw/zinc/09/72/73/652097273.db2.gz YSLSQUHCIQCGGK-UHFFFAOYSA-N 0 1 380.905 2.249 20 0 GEADMN CO[C@@H]1CCC[C@H]([C@@H](CO)NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000657075013 652104376 /nfs/dbraw/zinc/10/43/76/652104376.db2.gz IANQIJPPUYDOEG-OPQQBVKSSA-N 0 1 383.844 2.463 20 0 GEADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN(CCCCO)CC1 ZINC000746488695 652110621 /nfs/dbraw/zinc/11/06/21/652110621.db2.gz YGVIFJXJQWBZML-UHFFFAOYSA-N 0 1 388.339 2.342 20 0 GEADMN CC(C)NS(=O)(=O)CCNCc1c(-c2ccccc2)nc2sccn21 ZINC000746509675 652111888 /nfs/dbraw/zinc/11/18/88/652111888.db2.gz QRNOMKQNYAHXLH-UHFFFAOYSA-N 0 1 378.523 2.480 20 0 GEADMN CCN(CC)CCS(=O)(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000657113839 652117522 /nfs/dbraw/zinc/11/75/22/652117522.db2.gz JUHAQQKDWGBFBL-GFCCVEGCSA-N 0 1 380.436 2.304 20 0 GEADMN O=C(CCn1cc(Br)cn1)NC[C@H]1CCN1Cc1ccccc1 ZINC000620771142 652120050 /nfs/dbraw/zinc/12/00/50/652120050.db2.gz WKPVNFJCKHPNGG-MRXNPFEDSA-N 0 1 377.286 2.426 20 0 GEADMN Cc1cc(COc2ccc(C(=O)NCc3nnc[nH]3)cc2Br)no1 ZINC000620774648 652120590 /nfs/dbraw/zinc/12/05/90/652120590.db2.gz FGHMJIQETHMUOD-UHFFFAOYSA-N 0 1 392.213 2.373 20 0 GEADMN CS[C@@H]1CN(S(=O)(=O)Cc2cccc(Br)c2)C[C@@H]1N(C)C ZINC000576538631 652125445 /nfs/dbraw/zinc/12/54/45/652125445.db2.gz LLSRBOVUXSFJAE-UONOGXRCSA-N 0 1 393.372 2.256 20 0 GEADMN CC(C)N(Cc1ccc(Br)cc1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000621250887 652137308 /nfs/dbraw/zinc/13/73/08/652137308.db2.gz WKTWMNQTCDKHQE-UHFFFAOYSA-N 0 1 391.273 2.003 20 0 GEADMN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000657180593 652144375 /nfs/dbraw/zinc/14/43/75/652144375.db2.gz ZUCNDVHDUWIYTB-GFCCVEGCSA-N 0 1 376.320 2.243 20 0 GEADMN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1n[nH]c(=S)s1 ZINC000747212587 652148949 /nfs/dbraw/zinc/14/89/49/652148949.db2.gz GHTZCFYZNJNRMN-NSHDSACASA-N 0 1 383.520 2.210 20 0 GEADMN CNC(=O)c1ccc(CN(C(=O)CSc2n[nH]c(=S)s2)C2CC2)cc1 ZINC000747352299 652158726 /nfs/dbraw/zinc/15/87/26/652158726.db2.gz ARVGMZDOZZTGIO-UHFFFAOYSA-N 0 1 394.547 2.470 20 0 GEADMN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1n[nH]c(=S)s1 ZINC000747351246 652158798 /nfs/dbraw/zinc/15/87/98/652158798.db2.gz YMPUEYUTFDIOKR-UHFFFAOYSA-N 0 1 379.492 2.226 20 0 GEADMN O=C(CSc1n[nH]c(=S)s1)NCc1ccccc1N1CCOCC1 ZINC000747368208 652159555 /nfs/dbraw/zinc/15/95/55/652159555.db2.gz BOCFPHAYEUWICZ-UHFFFAOYSA-N 0 1 382.536 2.072 20 0 GEADMN C[C@@H](CCNC(=O)CSc1n[nH]c(=S)s1)NC(=O)OC(C)(C)C ZINC000747375071 652160074 /nfs/dbraw/zinc/16/00/74/652160074.db2.gz LLIFFHHKZDIFCG-QMMMGPOBSA-N 0 1 378.545 2.338 20 0 GEADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2cc(C(F)(F)F)nn2C)cc1 ZINC000657328484 652161119 /nfs/dbraw/zinc/16/11/19/652161119.db2.gz XDUKISNRBWRVSC-SNVBAGLBSA-N 0 1 376.404 2.198 20 0 GEADMN COC(=O)[C@@H](CNC(=O)CSc1n[nH]c(=S)s1)c1ccc(C)cc1 ZINC000747384062 652161376 /nfs/dbraw/zinc/16/13/76/652161376.db2.gz QWFOAIGYCJLLQW-NSHDSACASA-N 0 1 383.520 2.300 20 0 GEADMN O=C1[C@@H](NCc2cnn3c2CCC3)CCN1c1cccc(Br)c1 ZINC000657451437 652165212 /nfs/dbraw/zinc/16/52/12/652165212.db2.gz UCUZAZYLQYMOTI-HNNXBMFYSA-N 0 1 375.270 2.487 20 0 GEADMN COc1c(Br)cc(CN[C@H]2CCNC2=O)cc1Br ZINC000657522727 652170070 /nfs/dbraw/zinc/17/00/70/652170070.db2.gz CKBKLNBLKCGOOO-JTQLQIEISA-N 0 1 378.064 2.198 20 0 GEADMN O=C(C[C@H]1COCCN1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000577215887 652170340 /nfs/dbraw/zinc/17/03/40/652170340.db2.gz YSHDGVKMTPKSQL-KRWDZBQOSA-N 0 1 386.323 2.453 20 0 GEADMN COc1cc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000657635567 652182783 /nfs/dbraw/zinc/18/27/83/652182783.db2.gz UVNWAILOMHOSPR-GXSJLCMTSA-N 0 1 378.288 2.219 20 0 GEADMN CO[C@@H](CS(=O)(=O)NCc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC000577487845 652192496 /nfs/dbraw/zinc/19/24/96/652192496.db2.gz JCRFJCZWSBXVTR-LBPRGKRZSA-N 0 1 388.287 2.170 20 0 GEADMN NS(=O)(=O)c1ccc(O)c(C(=O)NCCc2ccc(Cl)cc2Cl)c1 ZINC000622502982 652195817 /nfs/dbraw/zinc/19/58/17/652195817.db2.gz HLOLAHDCGPDGJL-UHFFFAOYSA-N 0 1 389.260 2.319 20 0 GEADMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@]1(C)CCCC[C@@H]1O ZINC000748241697 652196317 /nfs/dbraw/zinc/19/63/17/652196317.db2.gz FBCWZKWEFGYHSH-KMFMINBZSA-N 0 1 389.949 2.235 20 0 GEADMN COC1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000657720270 652196307 /nfs/dbraw/zinc/19/63/07/652196307.db2.gz ADGAWRCTHWLRDC-UHFFFAOYSA-N 0 1 385.917 2.227 20 0 GEADMN CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCNCc1ccccc1 ZINC000577580606 652198718 /nfs/dbraw/zinc/19/87/18/652198718.db2.gz QMFUEMZJUQVTAU-UHFFFAOYSA-N 0 1 381.519 2.434 20 0 GEADMN CCC[C@@H]1CNCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000577631322 652203621 /nfs/dbraw/zinc/20/36/21/652203621.db2.gz OWIVOWJYXOSFGQ-OAHLLOKOSA-N 0 1 382.302 2.170 20 0 GEADMN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cncc(Br)c1 ZINC000657951394 652221039 /nfs/dbraw/zinc/22/10/39/652221039.db2.gz VICPMUCHVJMRET-ZETOZRRWSA-N 0 1 378.274 2.422 20 0 GEADMN C[C@@](N)(C(=O)N1CCCN(CC(F)F)CC1)c1ccc(Br)cc1 ZINC000577846440 652221878 /nfs/dbraw/zinc/22/18/78/652221878.db2.gz CVGUDIVUOMLHMB-INIZCTEOSA-N 0 1 390.272 2.422 20 0 GEADMN C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cncc(Br)c1 ZINC000657991663 652227079 /nfs/dbraw/zinc/22/70/79/652227079.db2.gz WKIXTYZQTCLRCD-LBPRGKRZSA-N 0 1 399.310 2.461 20 0 GEADMN COc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000658126438 652238575 /nfs/dbraw/zinc/23/85/75/652238575.db2.gz PRRYCXRFYGGTQB-CYBMUJFWSA-N 0 1 398.301 2.385 20 0 GEADMN COc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1OC1CC1 ZINC000623469820 652239354 /nfs/dbraw/zinc/23/93/54/652239354.db2.gz SCTHJSMCXYHKGB-UHFFFAOYSA-N 0 1 382.507 2.366 20 0 GEADMN CS(=O)(=O)N1CCC[C@@H]1CNCc1cccc(F)c1OCC(F)(F)F ZINC000623471920 652240377 /nfs/dbraw/zinc/24/03/77/652240377.db2.gz ZXNHMTCIQXKFIC-GFCCVEGCSA-N 0 1 384.395 2.280 20 0 GEADMN CN1CCN(C)[C@H](CNC(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000623599565 652248745 /nfs/dbraw/zinc/24/87/45/652248745.db2.gz LNUIWHXXBJKTGO-MAVJXHJTSA-N 0 1 395.345 2.397 20 0 GEADMN CCc1cc(CNC(=O)c2ccc3ncc(I)n3c2)n[nH]1 ZINC000749391748 652250795 /nfs/dbraw/zinc/25/07/95/652250795.db2.gz YLMJLYLZGWYRAF-UHFFFAOYSA-N 0 1 395.204 2.154 20 0 GEADMN CSC[C@H](CCO)Nc1nc(C[NH+](C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000578195554 652251959 /nfs/dbraw/zinc/25/19/59/652251959.db2.gz CNPAXHOGCSFCOD-JTQLQIEISA-N 0 1 384.527 2.285 20 0 GEADMN CCN(C(=O)C(=O)Nc1cc(C)c(Br)cc1F)[C@@H]1CCN(C)C1 ZINC000658362632 652256310 /nfs/dbraw/zinc/25/63/10/652256310.db2.gz VWCGZGYKACPAOM-LLVKDONJSA-N 0 1 386.265 2.388 20 0 GEADMN C[C@](NC(=O)CSc1n[nH]c(=S)s1)(C(N)=O)c1cccc(Cl)c1 ZINC000749508594 652256675 /nfs/dbraw/zinc/25/66/75/652256675.db2.gz IHQYGWWETLGIAK-CYBMUJFWSA-N 0 1 388.927 2.089 20 0 GEADMN CCN(C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[C@H]1CCN(C)C1 ZINC000658363132 652257429 /nfs/dbraw/zinc/25/74/29/652257429.db2.gz ZGROSPYJVVRJLA-NSHDSACASA-N 0 1 375.803 2.433 20 0 GEADMN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(F)F ZINC000658381222 652261252 /nfs/dbraw/zinc/26/12/52/652261252.db2.gz BXGGVVJMZQOVBP-SSDOTTSWSA-N 0 1 382.738 2.499 20 0 GEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000578369342 652266658 /nfs/dbraw/zinc/26/66/58/652266658.db2.gz GOTWRAMKCDZJRE-YUDUHTQSSA-N 0 1 384.270 2.374 20 0 GEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000578369340 652266974 /nfs/dbraw/zinc/26/69/74/652266974.db2.gz GOTWRAMKCDZJRE-CUBALJKWSA-N 0 1 384.270 2.374 20 0 GEADMN CN(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000658434063 652271517 /nfs/dbraw/zinc/27/15/17/652271517.db2.gz TYCPQTHCJLHYMM-OAHLLOKOSA-N 0 1 396.329 2.397 20 0 GEADMN CCc1[nH]nc(C(=O)N2CCC(O)(Cc3ccncc3)CC2)c1Br ZINC000578536329 652276486 /nfs/dbraw/zinc/27/64/86/652276486.db2.gz YHACEIDXWHPUBT-UHFFFAOYSA-N 0 1 393.285 2.339 20 0 GEADMN Cc1c([C@H](C)N[C@@H]2CCOC[C@H]2O)nnn1-c1cccc(Br)c1 ZINC000624236895 652278475 /nfs/dbraw/zinc/27/84/75/652278475.db2.gz LYUFFRJBYPLFAP-COLVAYQJSA-N 0 1 381.274 2.139 20 0 GEADMN COC[C@@]1(C)CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000578593189 652280384 /nfs/dbraw/zinc/28/03/84/652280384.db2.gz XOJZJVGFHVFTBR-PBHICJAKSA-N 0 1 381.270 2.439 20 0 GEADMN CCOc1ccc(Br)cc1S(=O)(=O)N1CCNC[C@@H]1C(C)C ZINC000624377552 652284487 /nfs/dbraw/zinc/28/44/87/652284487.db2.gz HOIMNZJXTLERTE-CYBMUJFWSA-N 0 1 391.331 2.466 20 0 GEADMN COC(=O)C1(CS(=O)(=O)Nc2cccnc2OCC(F)F)CCCC1 ZINC000579060998 652314294 /nfs/dbraw/zinc/31/42/94/652314294.db2.gz BCGKRLPBWBTTET-UHFFFAOYSA-N 0 1 378.397 2.201 20 0 GEADMN CCN(C(=O)C(=O)N(C)CCc1ccc(Br)cc1)[C@@H]1CCN(C)C1 ZINC000658808665 652315646 /nfs/dbraw/zinc/31/56/46/652315646.db2.gz XXLHCUDRPLUCFY-MRXNPFEDSA-N 0 1 396.329 2.003 20 0 GEADMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccn2)c(Cl)c1 ZINC000579165484 652321533 /nfs/dbraw/zinc/32/15/33/652321533.db2.gz VOKFSDLTFXDCQG-UHFFFAOYSA-N 0 1 383.901 2.496 20 0 GEADMN O=S(=O)(c1ccc(F)c(Br)c1)N1CCC(c2nc[nH]n2)CC1 ZINC000751258383 652335423 /nfs/dbraw/zinc/33/54/23/652335423.db2.gz PAUBFKTYKIPTHZ-UHFFFAOYSA-N 0 1 389.250 2.275 20 0 GEADMN O=S(=O)(c1ccc(Br)c(F)c1)N1CCC(c2nc[nH]n2)CC1 ZINC000751254586 652335592 /nfs/dbraw/zinc/33/55/92/652335592.db2.gz AJSHBOCCMCCIMP-UHFFFAOYSA-N 0 1 389.250 2.275 20 0 GEADMN Cc1nc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)sc1C ZINC000751299980 652339711 /nfs/dbraw/zinc/33/97/11/652339711.db2.gz DTMMZUQHQRHMLJ-ZDUSSCGKSA-N 0 1 380.413 2.488 20 0 GEADMN Cc1nc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)sc1C ZINC000751299979 652339750 /nfs/dbraw/zinc/33/97/50/652339750.db2.gz 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532624059 /nfs/dbraw/zinc/62/40/59/532624059.db2.gz XLROTLUOHZETGV-JTQLQIEISA-N 0 1 382.262 2.396 20 0 GEADMN CC(=O)NCC[N@@H+](CC1=Cc2cc(Br)ccc2OC1)[C@H](C)C(=O)[O-] ZINC000263407069 532624875 /nfs/dbraw/zinc/62/48/75/532624875.db2.gz KGDJGROKSKWEER-LLVKDONJSA-N 0 1 397.269 2.136 20 0 GEADMN C[N@H+]1CC[C@@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)[C@@H]1c1cccc(Cl)c1 ZINC000376670847 532625127 /nfs/dbraw/zinc/62/51/27/532625127.db2.gz HZWRQRXEMFQGFJ-FZMZJTMJSA-N 0 1 381.889 2.065 20 0 GEADMN CCc1nc(CNC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)n[nH]1 ZINC000298090913 532625331 /nfs/dbraw/zinc/62/53/31/532625331.db2.gz XLROTLUOHZETGV-SNVBAGLBSA-N 0 1 382.262 2.396 20 0 GEADMN COCC[C@@H](NCC(=O)NCCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000284869832 532627459 /nfs/dbraw/zinc/62/74/59/532627459.db2.gz SLIDGEUINFSBFL-CQSZACIVSA-N 0 1 377.268 2.340 20 0 GEADMN COc1cc(CN[C@H](CO)c2sccc2C)cc(Cl)c1OCC(N)=O ZINC000530730134 532627484 /nfs/dbraw/zinc/62/74/84/532627484.db2.gz NPQMGYAFNQHENN-CYBMUJFWSA-N 0 1 384.885 2.406 20 0 GEADMN COc1cc(C)c(C)cc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000656633331 532627519 /nfs/dbraw/zinc/62/75/19/532627519.db2.gz CLPNWUNDMYMDND-UHFFFAOYSA-N 0 1 381.475 2.443 20 0 GEADMN Cc1cc(NC(=O)CCN[C@H]2COc3cc(F)c(Br)cc32)no1 ZINC000566851677 532628366 /nfs/dbraw/zinc/62/83/66/532628366.db2.gz SLEPIWGPBDYYGX-LBPRGKRZSA-N 0 1 384.205 2.937 20 0 GEADMN CN(C)CCCN(C(=O)CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000298142232 532629122 /nfs/dbraw/zinc/62/91/22/532629122.db2.gz FBFSKMRETKKSAA-QGZVFWFLSA-N 0 1 386.945 2.240 20 0 GEADMN COC(=O)CNC(=O)[C@@H](C)Sc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000597858103 532629091 /nfs/dbraw/zinc/62/90/91/532629091.db2.gz JLQBDJYQLLAZOE-MRVPVSSYSA-N 0 1 399.270 2.004 20 0 GEADMN OCC[C@@]1(CNCc2c(F)ccc(I)c2F)CCOC1 ZINC000474817185 532629149 /nfs/dbraw/zinc/62/91/49/532629149.db2.gz MJMVEKZHIWCKEL-AWEZNQCLSA-N 0 1 397.203 2.448 20 0 GEADMN NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000656768173 532632098 /nfs/dbraw/zinc/63/20/98/532632098.db2.gz VPOIPVFBAKOECE-HRCADAONSA-N 0 1 386.901 2.453 20 0 GEADMN O=C(N[C@H](CO)C1CCC1)c1n[nH]c2ccc(I)cc21 ZINC000597917384 532632648 /nfs/dbraw/zinc/63/26/48/532632648.db2.gz BYJSVYPZGNOLDH-GFCCVEGCSA-N 0 1 385.205 2.058 20 0 GEADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376857140 532633342 /nfs/dbraw/zinc/63/33/42/532633342.db2.gz JXPVGBLAJJOGPC-LBPRGKRZSA-N 0 1 380.539 2.004 20 0 GEADMN O=C1N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C(=O)C23CC(C2)CN13 ZINC000656800209 532633372 /nfs/dbraw/zinc/63/33/72/532633372.db2.gz MHGFXQOKIDEUON-UHFFFAOYSA-N 0 1 388.225 2.161 20 0 GEADMN O=C1N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C(=O)C23CC(C2)CN13 ZINC000656800209 532633375 /nfs/dbraw/zinc/63/33/75/532633375.db2.gz MHGFXQOKIDEUON-UHFFFAOYSA-N 0 1 388.225 2.161 20 0 GEADMN C[C@H](NC(=O)c1n[nH]c2ccc(I)cc21)C1(CO)CC1 ZINC000598038742 532638347 /nfs/dbraw/zinc/63/83/47/532638347.db2.gz GTGIAQRFTSGTHT-QMMMGPOBSA-N 0 1 385.205 2.058 20 0 GEADMN CN(CC1CN(C)C1)C(=O)c1cc(I)c(F)cc1F ZINC000598163958 532641652 /nfs/dbraw/zinc/64/16/52/532641652.db2.gz RIUXLFOTGGPRAC-UHFFFAOYSA-N 0 1 380.176 2.203 20 0 GEADMN CN(CC1CN(C)C1)C(=O)c1cc(F)c(F)cc1I ZINC000598164814 532642197 /nfs/dbraw/zinc/64/21/97/532642197.db2.gz WOCYUCAELQYLBG-UHFFFAOYSA-N 0 1 380.176 2.203 20 0 GEADMN COC(=O)[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1Br ZINC000598191258 532643140 /nfs/dbraw/zinc/64/31/40/532643140.db2.gz IUGVISYVIHDHTL-AWEZNQCLSA-N 0 1 378.226 2.305 20 0 GEADMN CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(I)ccc1[O-] ZINC000436743552 532643920 /nfs/dbraw/zinc/64/39/20/532643920.db2.gz HKBMFSFXNQYWKI-NSHDSACASA-N 0 1 388.249 2.411 20 0 GEADMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(I)ccc1[O-] ZINC000436743552 532643923 /nfs/dbraw/zinc/64/39/23/532643923.db2.gz HKBMFSFXNQYWKI-NSHDSACASA-N 0 1 388.249 2.411 20 0 GEADMN O=C(CC[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)Nc1cccc(Br)c1 ZINC000298359181 532644328 /nfs/dbraw/zinc/64/43/28/532644328.db2.gz CGGMTQHCEUVRHM-NSHDSACASA-N 0 1 394.273 2.069 20 0 GEADMN COCCC[N@H+]1CCCN(Cc2ncc(I)s2)CC1 ZINC000377612461 532663242 /nfs/dbraw/zinc/66/32/42/532663242.db2.gz AETASSHTZOFTCY-UHFFFAOYSA-N 0 1 395.310 2.292 20 0 GEADMN NC(=O)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000377603805 532663607 /nfs/dbraw/zinc/66/36/07/532663607.db2.gz QEEXCDSCEBDQFR-PWSUYJOCSA-N 0 1 391.693 2.040 20 0 GEADMN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCN1CCC(O)CC1 ZINC000633341934 532664649 /nfs/dbraw/zinc/66/46/49/532664649.db2.gz FBAZSWYFNVUPOO-SJLPKXTDSA-N 0 1 381.314 2.300 20 0 GEADMN Cc1[nH]c(=S)sc1CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000377696391 532667638 /nfs/dbraw/zinc/66/76/38/532667638.db2.gz JWXJBFOSMORRMO-LRDDRELGSA-N 0 1 379.555 2.216 20 0 GEADMN COc1nc(N2CCN(Cc3cccc(N)c3)CC2)ncc1Br ZINC000659993277 532667721 /nfs/dbraw/zinc/66/77/21/532667721.db2.gz OMZNIWVTXLZQEE-UHFFFAOYSA-N 0 1 378.274 2.152 20 0 GEADMN CC[C@@H](NCC(=O)NC(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481661105 532668113 /nfs/dbraw/zinc/66/81/13/532668113.db2.gz BEXNTHGMUPGDRV-CYBMUJFWSA-N 0 1 375.922 2.204 20 0 GEADMN C[C@@H]1C[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)CCN1C ZINC000656918012 532646716 /nfs/dbraw/zinc/64/67/16/532646716.db2.gz IPCGRWYJDRRGGL-ZWNOBZJWSA-N 0 1 379.295 2.490 20 0 GEADMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cn1 ZINC000285097212 532646819 /nfs/dbraw/zinc/64/68/19/532646819.db2.gz LPIABZDIQFXGHA-UHFFFAOYSA-N 0 1 381.841 2.437 20 0 GEADMN NC(=O)C[C@@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000377189162 532647144 /nfs/dbraw/zinc/64/71/44/532647144.db2.gz HVPRFZQPLDBQQX-JTQLQIEISA-N 0 1 377.242 2.177 20 0 GEADMN NC(=O)C[C@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000377189163 532647173 /nfs/dbraw/zinc/64/71/73/532647173.db2.gz HVPRFZQPLDBQQX-SNVBAGLBSA-N 0 1 377.242 2.177 20 0 GEADMN C[C@H](C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC000298400357 532647861 /nfs/dbraw/zinc/64/78/61/532647861.db2.gz FAPQUKJLIRIRKK-NWJSVONSSA-N 0 1 382.302 2.353 20 0 GEADMN COCCN1CC[C@H](NC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000532300063 532648259 /nfs/dbraw/zinc/64/82/59/532648259.db2.gz PSZWRXGWCPYWHQ-AWEZNQCLSA-N 0 1 382.302 2.238 20 0 GEADMN O=C(C[C@H]1CCC(=O)NC1)Nc1nc2ccc(I)cc2[nH]1 ZINC000598426673 532649247 /nfs/dbraw/zinc/64/92/47/532649247.db2.gz CXBCSHRMTQJOAI-MRVPVSSYSA-N 0 1 398.204 2.022 20 0 GEADMN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)CCC2CCCCC2)nc1 ZINC000567323552 532649740 /nfs/dbraw/zinc/64/97/40/532649740.db2.gz UCRNLCKKODPGQL-UHFFFAOYSA-N 0 1 375.516 2.044 20 0 GEADMN CSCc1ccc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000532335540 532649838 /nfs/dbraw/zinc/64/98/38/532649838.db2.gz YJXJIMNGEHRRHP-KRWDZBQOSA-N 0 1 384.567 2.131 20 0 GEADMN CCOCCOC[C@H](O)CN[C@H](C)c1ccccc1I ZINC000477928900 532655269 /nfs/dbraw/zinc/65/52/69/532655269.db2.gz GKAFULRYYNRQDJ-CHWSQXEVSA-N 0 1 393.265 2.356 20 0 GEADMN CCOCC[C@H](O)CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478190086 532656696 /nfs/dbraw/zinc/65/66/96/532656696.db2.gz LLFGWFPIHBOJGS-INIZCTEOSA-N 0 1 389.309 2.493 20 0 GEADMN CN1CC[C@@H]2CN(S(=O)(=O)Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000657000864 532657384 /nfs/dbraw/zinc/65/73/84/532657384.db2.gz APBJPSRYIDWORL-YGRLFVJLSA-N 0 1 377.279 2.054 20 0 GEADMN O=C(c1ccccc1-n1cc(Br)cn1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000567712000 532658089 /nfs/dbraw/zinc/65/80/89/532658089.db2.gz ZCTGMOFEBOCTJV-NSHDSACASA-N 0 1 387.241 2.383 20 0 GEADMN CCc1nc(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)n[nH]1 ZINC000298536134 532658371 /nfs/dbraw/zinc/65/83/71/532658371.db2.gz YDPSAGDJNXZQCA-LBPRGKRZSA-N 0 1 393.289 2.208 20 0 GEADMN CN(C)[C@H](CNC(=O)NCc1c(Br)cnn1C)c1ccc(F)cc1 ZINC000633029788 532658569 /nfs/dbraw/zinc/65/85/69/532658569.db2.gz XLGJQIVTRVNPQP-CQSZACIVSA-N 0 1 398.280 2.424 20 0 GEADMN CN(CC(=O)NCCc1ccc(I)s1)C1CCC1 ZINC000600816133 532684188 /nfs/dbraw/zinc/68/41/88/532684188.db2.gz DMYQQZKYAMNLNW-UHFFFAOYSA-N 0 1 378.279 2.496 20 0 GEADMN COc1ccc(CCC(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1Br ZINC000378232403 532684692 /nfs/dbraw/zinc/68/46/92/532684692.db2.gz SMRKEKKKSDRKME-GFCCVEGCSA-N 0 1 394.273 2.310 20 0 GEADMN COc1cc(Cl)c(CN(C)C2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000638175175 532684864 /nfs/dbraw/zinc/68/48/64/532684864.db2.gz XMZNTGYKOGZUMT-UHFFFAOYSA-N 0 1 376.906 2.213 20 0 GEADMN CCc1nc([C@H](C)NS(=O)(=O)c2cc(Br)ccc2OC)n[nH]1 ZINC000535693717 532686129 /nfs/dbraw/zinc/68/61/29/532686129.db2.gz YTXQTHDVXXXYOV-QMMMGPOBSA-N 0 1 389.275 2.178 20 0 GEADMN CCCN1CC[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000660025988 532670468 /nfs/dbraw/zinc/67/04/68/532670468.db2.gz CSXCBTRLIAPVGO-LBPRGKRZSA-N 0 1 390.347 2.278 20 0 GEADMN O=C(CCN1CCN2C(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000534298103 532670618 /nfs/dbraw/zinc/67/06/18/532670618.db2.gz WXBRLGHIVMJJRV-GFCCVEGCSA-N 0 1 384.249 2.223 20 0 GEADMN COc1ccc(Br)cc1CC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000377814800 532671311 /nfs/dbraw/zinc/67/13/11/532671311.db2.gz QVROUNJIWBPGHJ-CVEARBPZSA-N 0 1 397.313 2.058 20 0 GEADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000285336967 532671512 /nfs/dbraw/zinc/67/15/12/532671512.db2.gz OMJMPBGBIQYVRK-GXTWGEPZSA-N 0 1 386.901 2.374 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)ccc1Cl ZINC000285335729 532671853 /nfs/dbraw/zinc/67/18/53/532671853.db2.gz OIKGXMSBQDIIJD-QWHCGFSZSA-N 0 1 386.901 2.374 20 0 GEADMN CCCN1CC[C@H](NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)C1 ZINC000660028545 532672944 /nfs/dbraw/zinc/67/29/44/532672944.db2.gz WKYYXZPGBGXJHS-LBPRGKRZSA-N 0 1 389.905 2.070 20 0 GEADMN CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccsc2)c(OC)c1 ZINC000534899351 532674388 /nfs/dbraw/zinc/67/43/88/532674388.db2.gz HVOOJBQZUCLFLA-UHFFFAOYSA-N 0 1 376.481 2.319 20 0 GEADMN C[C@@H](O)CN1CCN(C(=O)NCc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000483275133 532675405 /nfs/dbraw/zinc/67/54/05/532675405.db2.gz CETUOWMVUYYMFI-VXGBXAGGSA-N 0 1 388.281 2.185 20 0 GEADMN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN(C)[C@H]1CCSC1 ZINC000534996642 532675601 /nfs/dbraw/zinc/67/56/01/532675601.db2.gz YODITCQQSFBULE-ZDUSSCGKSA-N 0 1 385.917 2.183 20 0 GEADMN CN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1n[nH]c(=O)o1 ZINC000660846442 532677910 /nfs/dbraw/zinc/67/79/10/532677910.db2.gz IYLWHYXZDKWSLM-UHFFFAOYSA-N 0 1 375.610 2.262 20 0 GEADMN Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCCc3nc[nH]n3)cc2s1 ZINC000484363357 532678332 /nfs/dbraw/zinc/67/83/32/532678332.db2.gz ULTWBTLEFWJRBN-UHFFFAOYSA-N 0 1 378.845 2.064 20 0 GEADMN Fc1cc2ncnc(NCCN3C[C@H]4CC[C@@H](C3)O4)c2cc1Br ZINC000568474386 532678438 /nfs/dbraw/zinc/67/84/38/532678438.db2.gz CTKVMYTUFVABTH-PHIMTYICSA-N 0 1 381.249 2.807 20 0 GEADMN Cc1nc(NC(=O)[C@@H](N)CCS(C)(=O)=O)sc1Cc1cccc(C)c1 ZINC000438883452 532678532 /nfs/dbraw/zinc/67/85/32/532678532.db2.gz MPIQSLQYEVURSQ-AWEZNQCLSA-N 0 1 381.523 2.051 20 0 GEADMN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cnn3cc(Br)cnc13)CC2 ZINC000638114544 532681938 /nfs/dbraw/zinc/68/19/38/532681938.db2.gz WXFCSDLJVSXNNF-HUUCEWRRSA-N 0 1 395.301 2.244 20 0 GEADMN COc1nsc(CN2CC[C@H](CN3CCOCC3)C2)c1Br ZINC000638119500 532682516 /nfs/dbraw/zinc/68/25/16/532682516.db2.gz SLUWBKRKURZSIN-LLVKDONJSA-N 0 1 376.320 2.068 20 0 GEADMN COc1nsc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c1Br ZINC000639212105 532691785 /nfs/dbraw/zinc/69/17/85/532691785.db2.gz AYUODHMHWRJOAX-JSGCOSHPSA-N 0 1 377.304 2.324 20 0 GEADMN CCC(CC)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000536428623 532692151 /nfs/dbraw/zinc/69/21/51/532692151.db2.gz YBRQGQWHEPAVAC-UHFFFAOYSA-N 0 1 378.516 2.171 20 0 GEADMN OCCN(Cc1cccnc1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439419493 532692387 /nfs/dbraw/zinc/69/23/87/532692387.db2.gz HNXSLONRGMDBIJ-INIZCTEOSA-N 0 1 399.260 2.217 20 0 GEADMN OCC[C@H]1CSCCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439454464 532693116 /nfs/dbraw/zinc/69/31/16/532693116.db2.gz RSYGHOFAKAAGMU-KBPBESRZSA-N 0 1 394.306 2.128 20 0 GEADMN O=S1(=O)CCC(O)(CN2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000536607495 532695339 /nfs/dbraw/zinc/69/53/39/532695339.db2.gz VQFOMPTWCLUSQO-AWEZNQCLSA-N 0 1 380.535 2.415 20 0 GEADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CCC[C@H](O)C1 ZINC000439536569 532696384 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TUXGZUBKUWZMPY-LRDDRELGSA-N 0 1 383.481 2.136 20 0 GEADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCN2CCCC[C@@H]2C1 ZINC000819866568 599103333 /nfs/dbraw/zinc/10/33/33/599103333.db2.gz OBGDXKWHOJKQOP-GXTWGEPZSA-N 0 1 389.891 2.017 20 0 GEADMN Cc1cccnc1[C@@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737435282 599134208 /nfs/dbraw/zinc/13/42/08/599134208.db2.gz MFKWXDUBDJANMI-SFHVURJKSA-N 0 1 379.468 2.173 20 0 GEADMN O=C(CN1CCCC2(CCOCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737878251 599143404 /nfs/dbraw/zinc/14/34/04/599143404.db2.gz OTLIKODWRNIRTN-UHFFFAOYSA-N 0 1 390.875 2.351 20 0 GEADMN O=C(NCc1cc(-c2nn[nH]n2)ccc1F)NC[C@@H](c1ccco1)N1CCCC1 ZINC000823238194 599159451 /nfs/dbraw/zinc/15/94/51/599159451.db2.gz IUHXEVWHRGWZDC-INIZCTEOSA-N 0 1 399.430 2.235 20 0 GEADMN CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CC[C@H](C(=O)[O-])C3)c2c1C ZINC000818229345 596901994 /nfs/dbraw/zinc/90/19/94/596901994.db2.gz LJBOYWJIEVRXET-NSHDSACASA-N 0 1 392.481 2.149 20 0 GEADMN COc1ccc(C2=NN(C(=O)C[N@H+](C)CCC(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000818585277 597002654 /nfs/dbraw/zinc/00/26/54/597002654.db2.gz IZORMHPZJCICQR-QGZVFWFLSA-N 0 1 385.420 2.372 20 0 GEADMN COc1ccc(C2=NN(C(=O)C[N@@H+](C)CCC(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000818585277 597002656 /nfs/dbraw/zinc/00/26/56/597002656.db2.gz IZORMHPZJCICQR-QGZVFWFLSA-N 0 1 385.420 2.372 20 0 GEADMN Cc1nc(C[NH+]2CCC(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)CC2)oc1C ZINC000818994610 597061258 /nfs/dbraw/zinc/06/12/58/597061258.db2.gz HZVKXQIXYWPAEP-KRWDZBQOSA-N 0 1 392.500 2.400 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000676232624 597087633 /nfs/dbraw/zinc/08/76/33/597087633.db2.gz FYMJTEWZTSFEDF-MRXNPFEDSA-N 0 1 377.460 2.051 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])CC2)cs1 ZINC000262744378 597172204 /nfs/dbraw/zinc/17/22/04/597172204.db2.gz JWXMOMHRSAAWQC-GOSISDBHSA-N 0 1 387.505 2.476 20 0 GEADMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CSCC(=O)[O-] ZINC000818970520 597280043 /nfs/dbraw/zinc/28/00/43/597280043.db2.gz FVVZAYUUZVREKD-MRXNPFEDSA-N 0 1 388.493 2.395 20 0 GEADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000263392529 597300958 /nfs/dbraw/zinc/30/09/58/597300958.db2.gz QRASESKYPZIGBR-RKVPGOIHSA-N 0 1 375.469 2.168 20 0 GEADMN O=C([O-])Cc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000819618094 597337404 /nfs/dbraw/zinc/33/74/04/597337404.db2.gz LTPPDZNLKJTKPH-UHFFFAOYSA-N 0 1 383.448 2.468 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])C[C@H](C)O1 ZINC000818112623 597339983 /nfs/dbraw/zinc/33/99/83/597339983.db2.gz FFSOKIPJVKKFLY-HLLBOEOZSA-N 0 1 375.469 2.419 20 0 GEADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])C[C@H](C)O1 ZINC000818112623 597339987 /nfs/dbraw/zinc/33/99/87/597339987.db2.gz FFSOKIPJVKKFLY-HLLBOEOZSA-N 0 1 375.469 2.419 20 0 GEADMN C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000820562320 597341939 /nfs/dbraw/zinc/34/19/39/597341939.db2.gz GMKRYSOAMFEXQB-UHFFFAOYSA-N 0 1 383.448 2.292 20 0 GEADMN C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000820562320 597341940 /nfs/dbraw/zinc/34/19/40/597341940.db2.gz GMKRYSOAMFEXQB-UHFFFAOYSA-N 0 1 383.448 2.292 20 0 GEADMN CC(C)N1CC[NH+](C2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)CC1 ZINC000820025028 597455952 /nfs/dbraw/zinc/45/59/52/597455952.db2.gz LNGCRWFAMDBBCR-UHFFFAOYSA-N 0 1 388.512 2.336 20 0 GEADMN O=C([O-])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000819151772 597536256 /nfs/dbraw/zinc/53/62/56/597536256.db2.gz ZQQIWWGFGPJGLJ-CYBMUJFWSA-N 0 1 385.395 2.423 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000737294391 599281237 /nfs/dbraw/zinc/28/12/37/599281237.db2.gz MWSLIVOBUSHCNR-UHFFFAOYSA-N 0 1 393.386 2.421 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000737294391 599281239 /nfs/dbraw/zinc/28/12/39/599281239.db2.gz MWSLIVOBUSHCNR-UHFFFAOYSA-N 0 1 393.386 2.421 20 0 GEADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000736198431 599291442 /nfs/dbraw/zinc/29/14/42/599291442.db2.gz ILHKFLHBYQDWMJ-DOMZBBRYSA-N 0 1 382.472 2.417 20 0 GEADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000736198431 599291444 /nfs/dbraw/zinc/29/14/44/599291444.db2.gz ILHKFLHBYQDWMJ-DOMZBBRYSA-N 0 1 382.472 2.417 20 0 GEADMN CCc1cc(CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)n[nH]1 ZINC000821470600 599291830 /nfs/dbraw/zinc/29/18/30/599291830.db2.gz QLCSAGXAFGIYNH-UHFFFAOYSA-N 0 1 380.334 2.493 20 0 GEADMN COc1cc(C[N@@H+](C)CCC(=O)[O-])cc(I)c1OC ZINC000820763977 598127418 /nfs/dbraw/zinc/12/74/18/598127418.db2.gz PUMIHTPXWNIWHM-UHFFFAOYSA-N 0 1 379.194 2.215 20 0 GEADMN CCOc1cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])ccc1O[C@@H](C)C(=O)N(C)C ZINC000820383311 598132601 /nfs/dbraw/zinc/13/26/01/598132601.db2.gz VROLIYWIDSLXAI-GOEBONIOSA-N 0 1 378.469 2.380 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000821474756 598178974 /nfs/dbraw/zinc/17/89/74/598178974.db2.gz LSQJWKGUGAIZQW-SJLPKXTDSA-N 0 1 383.448 2.389 20 0 GEADMN O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000821511972 598206976 /nfs/dbraw/zinc/20/69/76/598206976.db2.gz TWYMFEGZDTXGBG-SFHVURJKSA-N 0 1 386.452 2.054 20 0 GEADMN CN(CC1CCCCC1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736793893 598233566 /nfs/dbraw/zinc/23/35/66/598233566.db2.gz NXNJHBBVAYEGBG-FQEVSTJZSA-N 0 1 397.483 2.103 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CCCO3)cc1-c1nn[nH]n1 ZINC000737186034 598288404 /nfs/dbraw/zinc/28/84/04/598288404.db2.gz DDXHBJNWZOVNAJ-UHFFFAOYSA-N 0 1 384.421 2.267 20 0 GEADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738124758 598316932 /nfs/dbraw/zinc/31/69/32/598316932.db2.gz QSYAFFXJNIBLPP-UHFFFAOYSA-N 0 1 379.359 2.113 20 0 GEADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738124758 598316934 /nfs/dbraw/zinc/31/69/34/598316934.db2.gz QSYAFFXJNIBLPP-UHFFFAOYSA-N 0 1 379.359 2.113 20 0 GEADMN COc1ccccc1Nc1nnc(Sc2nccnc2-c2nn[nH]n2)s1 ZINC000737152541 598337965 /nfs/dbraw/zinc/33/79/65/598337965.db2.gz RSEJQSNRRFSONL-UHFFFAOYSA-N 0 1 385.438 2.412 20 0 GEADMN CCN1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736569326 598357577 /nfs/dbraw/zinc/35/75/77/598357577.db2.gz FXJDBQDVRJVUCJ-MRXNPFEDSA-N 0 1 396.451 2.253 20 0 GEADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738026549 598358080 /nfs/dbraw/zinc/35/80/80/598358080.db2.gz UCXGKOTUZBVPMR-OAHLLOKOSA-N 0 1 394.435 2.005 20 0 GEADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000735561228 598373544 /nfs/dbraw/zinc/37/35/44/598373544.db2.gz JRUMOAZHGLRNQV-GDBMZVCRSA-N 0 1 377.452 2.380 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000737188096 598410783 /nfs/dbraw/zinc/41/07/83/598410783.db2.gz YPWACBAQVIGMRR-UHFFFAOYSA-N 0 1 382.449 2.278 20 0 GEADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737892568 598487174 /nfs/dbraw/zinc/48/71/74/598487174.db2.gz WVLGQZNPOBFRIK-UHFFFAOYSA-N 0 1 396.426 2.240 20 0 GEADMN CN(CCc1ccccc1F)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736805171 598594870 /nfs/dbraw/zinc/59/48/70/598594870.db2.gz BZIPDSIVGRJZNP-SFHVURJKSA-N 0 1 380.427 2.286 20 0 GEADMN CCN([C@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736510927 598621435 /nfs/dbraw/zinc/62/14/35/598621435.db2.gz ABEMIOTWSCQIIN-BXUZGUMPSA-N 0 1 382.390 2.413 20 0 GEADMN CCN([C@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736510931 598621905 /nfs/dbraw/zinc/62/19/05/598621905.db2.gz ABEMIOTWSCQIIN-RISCZKNCSA-N 0 1 382.390 2.413 20 0 GEADMN O=C(CC[C@@H]1CCCCO1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737824313 598682137 /nfs/dbraw/zinc/68/21/37/598682137.db2.gz PLUBRVBAXPGZBU-IBGZPJMESA-N 0 1 398.511 2.250 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000737980952 598719740 /nfs/dbraw/zinc/71/97/40/598719740.db2.gz HAPXPVRXZIRVCE-YOEHRIQHSA-N 0 1 392.463 2.363 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NCCC1CCCCC1 ZINC000737980327 598720155 /nfs/dbraw/zinc/72/01/55/598720155.db2.gz CHXLPCCZONVKTD-UHFFFAOYSA-N 0 1 380.452 2.268 20 0 GEADMN O=C1[C@@H](N2CC[C@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291555 598764242 /nfs/dbraw/zinc/76/42/42/598764242.db2.gz VHIZWJWMQJDSFO-HKUYNNGSSA-N 0 1 389.463 2.158 20 0 GEADMN Cc1cccc(C)c1OCCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737388075 598795579 /nfs/dbraw/zinc/79/55/79/598795579.db2.gz AQZOPGLIPPXCHK-UHFFFAOYSA-N 0 1 393.495 2.470 20 0 GEADMN CC[C@]1(C)CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820949532 599328721 /nfs/dbraw/zinc/32/87/21/599328721.db2.gz BXWHNVAGHJGKBS-HXUWFJFHSA-N 0 1 397.483 2.101 20 0 GEADMN COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C(C)C ZINC000821683876 599381568 /nfs/dbraw/zinc/38/15/68/599381568.db2.gz MKTAEBYYZFDHSW-PWSUYJOCSA-N 0 1 378.502 2.005 20 0 GEADMN c1cc(-c2nnn[n-]2)oc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000823766737 599416299 /nfs/dbraw/zinc/41/62/99/599416299.db2.gz IZUKRLZGYNCRNF-UHFFFAOYSA-N 0 1 383.408 2.026 20 0 GEADMN c1cc(-c2nn[n-]n2)oc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000823766737 599416301 /nfs/dbraw/zinc/41/63/01/599416301.db2.gz IZUKRLZGYNCRNF-UHFFFAOYSA-N 0 1 383.408 2.026 20 0 GEADMN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737742913 599478601 /nfs/dbraw/zinc/47/86/01/599478601.db2.gz RNYBGLWBAKKWHK-KBXCAEBGSA-N 0 1 380.427 2.097 20 0 GEADMN Cc1cc(C)c(NC(=O)CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c(C)c1 ZINC000737244995 599482225 /nfs/dbraw/zinc/48/22/25/599482225.db2.gz BJLULRQNCAVSPI-UHFFFAOYSA-N 0 1 390.451 2.168 20 0 GEADMN O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1cccc(Br)c1O ZINC000823241695 599491288 /nfs/dbraw/zinc/49/12/88/599491288.db2.gz CGJNIOKEYBLABJ-UHFFFAOYSA-N 0 1 392.188 2.404 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H]2c2cccc(F)c2)cc1-c1nn[nH]n1 ZINC000821969554 599494831 /nfs/dbraw/zinc/49/48/31/599494831.db2.gz BJUQJADWVWOGAS-ZDUSSCGKSA-N 0 1 386.412 2.416 20 0 GEADMN C[C@H](Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)[C@H](C)N1CCOCC1 ZINC000820452141 599528285 /nfs/dbraw/zinc/52/82/85/599528285.db2.gz ZZSZAVUNPOLYDH-RYUDHWBXSA-N 0 1 387.875 2.011 20 0 GEADMN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821198773 599546262 /nfs/dbraw/zinc/54/62/62/599546262.db2.gz VUDGYIRDLCJGLO-KRWDZBQOSA-N 0 1 391.479 2.246 20 0 GEADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821198773 599546264 /nfs/dbraw/zinc/54/62/64/599546264.db2.gz VUDGYIRDLCJGLO-KRWDZBQOSA-N 0 1 391.479 2.246 20 0 GEADMN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821198773 599546265 /nfs/dbraw/zinc/54/62/65/599546265.db2.gz VUDGYIRDLCJGLO-KRWDZBQOSA-N 0 1 391.479 2.246 20 0 GEADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821198773 599546266 /nfs/dbraw/zinc/54/62/66/599546266.db2.gz VUDGYIRDLCJGLO-KRWDZBQOSA-N 0 1 391.479 2.246 20 0 GEADMN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821198775 599546382 /nfs/dbraw/zinc/54/63/82/599546382.db2.gz VUDGYIRDLCJGLO-QGZVFWFLSA-N 0 1 391.479 2.246 20 0 GEADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821198775 599546384 /nfs/dbraw/zinc/54/63/84/599546384.db2.gz VUDGYIRDLCJGLO-QGZVFWFLSA-N 0 1 391.479 2.246 20 0 GEADMN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821198775 599546386 /nfs/dbraw/zinc/54/63/86/599546386.db2.gz VUDGYIRDLCJGLO-QGZVFWFLSA-N 0 1 391.479 2.246 20 0 GEADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821198775 599546388 /nfs/dbraw/zinc/54/63/88/599546388.db2.gz VUDGYIRDLCJGLO-QGZVFWFLSA-N 0 1 391.479 2.246 20 0 GEADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224823 599554902 /nfs/dbraw/zinc/55/49/02/599554902.db2.gz BDYHUOLLCRBYQW-CRAIPNDOSA-N 0 1 391.479 2.387 20 0 GEADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000736224823 599554905 /nfs/dbraw/zinc/55/49/05/599554905.db2.gz BDYHUOLLCRBYQW-CRAIPNDOSA-N 0 1 391.479 2.387 20 0 GEADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224823 599554909 /nfs/dbraw/zinc/55/49/09/599554909.db2.gz BDYHUOLLCRBYQW-CRAIPNDOSA-N 0 1 391.479 2.387 20 0 GEADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000736224823 599554910 /nfs/dbraw/zinc/55/49/10/599554910.db2.gz BDYHUOLLCRBYQW-CRAIPNDOSA-N 0 1 391.479 2.387 20 0 GEADMN COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)CN1CCCC[C@@H]1C ZINC000736988514 599578454 /nfs/dbraw/zinc/57/84/54/599578454.db2.gz STECJLNIFHPKTA-ZDUSSCGKSA-N 0 1 389.504 2.134 20 0 GEADMN c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCCC4(CCOCC4)C3)o2)c1 ZINC000823737807 599578911 /nfs/dbraw/zinc/57/89/11/599578911.db2.gz KSNOZCLBFBAXAN-UHFFFAOYSA-N 0 1 381.440 2.309 20 0 GEADMN CC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1nccs1 ZINC000736365528 599603841 /nfs/dbraw/zinc/60/38/41/599603841.db2.gz WOQPBBGMRCMSEV-VIFPVBQESA-N 0 1 377.455 2.027 20 0 GEADMN Cc1ccc2nc(CNC(=O)N(C)Cc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000822271429 599683592 /nfs/dbraw/zinc/68/35/92/599683592.db2.gz ZPUGTPQFVRLFBE-UHFFFAOYSA-N 0 1 376.424 2.393 20 0 GEADMN C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC000819858047 599695787 /nfs/dbraw/zinc/69/57/87/599695787.db2.gz YSFMQANQPLGWDM-MRXNPFEDSA-N 0 1 391.479 2.100 20 0 GEADMN CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000736355607 599713673 /nfs/dbraw/zinc/71/36/73/599713673.db2.gz PSWYKWJUCPPBDP-AWEZNQCLSA-N 0 1 375.469 2.196 20 0 GEADMN CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000737115031 599716712 /nfs/dbraw/zinc/71/67/12/599716712.db2.gz GJHIMLFMPAVWCV-UHFFFAOYSA-N 0 1 381.452 2.455 20 0 GEADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000736791782 599722423 /nfs/dbraw/zinc/72/24/23/599722423.db2.gz DLHKHDWWXCIQRY-NEPJUHHUSA-N 0 1 380.420 2.091 20 0 GEADMN COc1cccc([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)[NH+]2CCCC2)c1 ZINC000738092610 599766949 /nfs/dbraw/zinc/76/69/49/599766949.db2.gz QOOYANXVPZHFRJ-HNNXBMFYSA-N 0 1 394.449 2.102 20 0 GEADMN CC(C)C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000736411568 599786077 /nfs/dbraw/zinc/78/60/77/599786077.db2.gz HVIBFMLNBNMTOH-QGZVFWFLSA-N 0 1 393.459 2.092 20 0 GEADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000737866744 599788348 /nfs/dbraw/zinc/78/83/48/599788348.db2.gz OBZYCSIBMBJOJW-MSOLQXFVSA-N 0 1 392.496 2.083 20 0 GEADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000737866744 599788350 /nfs/dbraw/zinc/78/83/50/599788350.db2.gz OBZYCSIBMBJOJW-MSOLQXFVSA-N 0 1 392.496 2.083 20 0 GEADMN O=C([O-])[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(Br)cc1 ZINC000739501286 599791245 /nfs/dbraw/zinc/79/12/45/599791245.db2.gz VRLNTFUUKXWLNR-ZDUSSCGKSA-N 0 1 394.250 2.434 20 0 GEADMN CN(C[C@H]1CC[N@@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C1)C(=O)OC(C)(C)C ZINC000737413442 599793359 /nfs/dbraw/zinc/79/33/59/599793359.db2.gz OBFLHXXUEKLEEE-OAHLLOKOSA-N 0 1 397.516 2.079 20 0 GEADMN CC(C)C[C@H](NC(=O)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736412644 599796780 /nfs/dbraw/zinc/79/67/80/599796780.db2.gz OQJUIGSJEHLJLO-SFHVURJKSA-N 0 1 375.513 2.198 20 0 GEADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000736822755 599805803 /nfs/dbraw/zinc/80/58/03/599805803.db2.gz IUZCVCBLIHRQNI-MRXNPFEDSA-N 0 1 388.512 2.479 20 0 GEADMN O=C([O-])CCSCc1cccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000739753931 599822862 /nfs/dbraw/zinc/82/28/62/599822862.db2.gz GSIXIEORVBYDPS-SJORKVTESA-N 0 1 393.509 2.379 20 0 GEADMN C[C@@H](C(=O)NCC(=O)[O-])[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000736206741 599851833 /nfs/dbraw/zinc/85/18/33/599851833.db2.gz DRXROHRVXRTGNN-AAEUAGOBSA-N 0 1 392.843 2.159 20 0 GEADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000736879854 599867368 /nfs/dbraw/zinc/86/73/68/599867368.db2.gz RSOSOZCRIBEJJX-AGRHKRQWSA-N 0 1 380.460 2.187 20 0 GEADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000737505098 599885748 /nfs/dbraw/zinc/88/57/48/599885748.db2.gz DROGATUNYZEBCG-ICSRJNTNSA-N 0 1 395.459 2.387 20 0 GEADMN C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000737514634 599908508 /nfs/dbraw/zinc/90/85/08/599908508.db2.gz ADWHPWMVKAVADW-UHFFFAOYSA-N 0 1 396.447 2.345 20 0 GEADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000738275210 599935535 /nfs/dbraw/zinc/93/55/35/599935535.db2.gz NLPPYBKZGPGJAX-INIZCTEOSA-N 0 1 380.441 2.414 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736806590 599959687 /nfs/dbraw/zinc/95/96/87/599959687.db2.gz DBVVECJUCSJXAP-JXFKEZNVSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736806590 599959690 /nfs/dbraw/zinc/95/96/90/599959690.db2.gz DBVVECJUCSJXAP-JXFKEZNVSA-N 0 1 397.475 2.063 20 0 GEADMN CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@H]1CC ZINC000737177633 599961360 /nfs/dbraw/zinc/96/13/60/599961360.db2.gz YCGZKFCFUDTIRF-FUHWJXTLSA-N 0 1 391.512 2.453 20 0 GEADMN CCOCC[N@@H+]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C[C@H]1CC ZINC000737176718 599962552 /nfs/dbraw/zinc/96/25/52/599962552.db2.gz ONJGSMBCKUISDH-HZPDHXFCSA-N 0 1 379.501 2.334 20 0 GEADMN CCOCC[N@H+]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C[C@H]1CC ZINC000737176718 599962554 /nfs/dbraw/zinc/96/25/54/599962554.db2.gz ONJGSMBCKUISDH-HZPDHXFCSA-N 0 1 379.501 2.334 20 0 GEADMN CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000736454052 599963683 /nfs/dbraw/zinc/96/36/83/599963683.db2.gz DCFJFFFLGAEOHH-MRXNPFEDSA-N 0 1 375.513 2.442 20 0 GEADMN CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000736454052 599963684 /nfs/dbraw/zinc/96/36/84/599963684.db2.gz DCFJFFFLGAEOHH-MRXNPFEDSA-N 0 1 375.513 2.442 20 0 GEADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(C(=O)[O-])c1C ZINC000738399707 599969107 /nfs/dbraw/zinc/96/91/07/599969107.db2.gz WNBJADVFUFWGEV-ZDUSSCGKSA-N 0 1 377.470 2.005 20 0 GEADMN O=C([O-])c1c2c(sc1NC(=O)C[NH+]1CCC(Cn3cccn3)CC1)CCC2 ZINC000738468804 599971542 /nfs/dbraw/zinc/97/15/42/599971542.db2.gz VCUVPPLWMPGXSW-UHFFFAOYSA-N 0 1 388.493 2.482 20 0 GEADMN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000738916104 599974446 /nfs/dbraw/zinc/97/44/46/599974446.db2.gz WKIUPDZTVYBONT-OJLMPMFISA-N 0 1 398.916 2.410 20 0 GEADMN Cc1cc(N2CCC[C@@H](NC(=O)NCCCCCCC(=O)[O-])C2)nc(C)[nH+]1 ZINC000738408922 599981438 /nfs/dbraw/zinc/98/14/38/599981438.db2.gz QJHMFXGQOCRMOA-MRXNPFEDSA-N 0 1 377.489 2.397 20 0 GEADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](CC(=O)N1CCCC[C@H]1C)CC2 ZINC000737904999 599985245 /nfs/dbraw/zinc/98/52/45/599985245.db2.gz AYXDLKZODSFNAA-RHSMWYFYSA-N 0 1 390.480 2.479 20 0 GEADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CC(=O)N1CCCC[C@H]1C)CC2 ZINC000737904999 599985246 /nfs/dbraw/zinc/98/52/46/599985246.db2.gz AYXDLKZODSFNAA-RHSMWYFYSA-N 0 1 390.480 2.479 20 0 GEADMN Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000652473383 600004593 /nfs/dbraw/zinc/00/45/93/600004593.db2.gz DMFFPPLZBBIHQP-NJDAHSKKSA-N 0 1 385.460 2.247 20 0 GEADMN Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000652473383 600004597 /nfs/dbraw/zinc/00/45/97/600004597.db2.gz DMFFPPLZBBIHQP-NJDAHSKKSA-N 0 1 385.460 2.247 20 0 GEADMN COc1ccc2c(c1)CCC[N@@H+](CC(=O)N1Cc3ccccc3C[C@@H]1C(=O)[O-])C2 ZINC000738075311 600005540 /nfs/dbraw/zinc/00/55/40/600005540.db2.gz XUVICHXHSVGIAW-OAQYLSRUSA-N 0 1 394.471 2.482 20 0 GEADMN COc1ccc2c(c1)CCC[N@H+](CC(=O)N1Cc3ccccc3C[C@@H]1C(=O)[O-])C2 ZINC000738075311 600005543 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384.484 2.109 20 0 GEADMN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000820031353 606293805 /nfs/dbraw/zinc/29/38/05/606293805.db2.gz CYIAETSDWJSUAW-SFHVURJKSA-N 0 1 395.467 2.399 20 0 GEADMN O=S(=O)(CCNCc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562008 606308543 /nfs/dbraw/zinc/30/85/43/606308543.db2.gz MSMQLTVLRDQICA-UHFFFAOYSA-N 0 1 377.857 2.084 20 0 GEADMN O=S(=O)(Nc1cc(-c2nn[nH]n2)ccc1O)c1cccc(Br)c1 ZINC000823582962 606337987 /nfs/dbraw/zinc/33/79/87/606337987.db2.gz FAAVMVNLHSAXAJ-UHFFFAOYSA-N 0 1 396.226 2.136 20 0 GEADMN C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820368259 606381447 /nfs/dbraw/zinc/38/14/47/606381447.db2.gz ZANWGONHKIBZAY-CQSZACIVSA-N 0 1 397.458 2.498 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000821761641 606382905 /nfs/dbraw/zinc/38/29/05/606382905.db2.gz DITGRAFJQGXBIT-UHFFFAOYSA-N 0 1 399.430 2.268 20 0 GEADMN Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822230797 606406141 /nfs/dbraw/zinc/40/61/41/606406141.db2.gz QQEUWIMSZATCIC-KRWDZBQOSA-N 0 1 384.509 2.400 20 0 GEADMN Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822230797 606406143 /nfs/dbraw/zinc/40/61/43/606406143.db2.gz QQEUWIMSZATCIC-KRWDZBQOSA-N 0 1 384.509 2.400 20 0 GEADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000820432010 606410968 /nfs/dbraw/zinc/41/09/68/606410968.db2.gz KBCDCLSEVOQXCQ-NSHDSACASA-N 0 1 392.510 2.029 20 0 GEADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000820432010 606410969 /nfs/dbraw/zinc/41/09/69/606410969.db2.gz KBCDCLSEVOQXCQ-NSHDSACASA-N 0 1 392.510 2.029 20 0 GEADMN Cc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCOCC2)cc1 ZINC000822230729 606411702 /nfs/dbraw/zinc/41/17/02/606411702.db2.gz OUMCELQTQZPPKD-QGZVFWFLSA-N 0 1 384.509 2.400 20 0 GEADMN Cc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCOCC2)cc1 ZINC000822230729 606411704 /nfs/dbraw/zinc/41/17/04/606411704.db2.gz OUMCELQTQZPPKD-QGZVFWFLSA-N 0 1 384.509 2.400 20 0 GEADMN O=S(=O)(CCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000823557936 606412398 /nfs/dbraw/zinc/41/23/98/606412398.db2.gz WDIGVXQIKKHGBV-UHFFFAOYSA-N 0 1 377.495 2.023 20 0 GEADMN O=S(=O)(CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1 ZINC000823557936 606412399 /nfs/dbraw/zinc/41/23/99/606412399.db2.gz WDIGVXQIKKHGBV-UHFFFAOYSA-N 0 1 377.495 2.023 20 0 GEADMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822016330 606504364 /nfs/dbraw/zinc/50/43/64/606504364.db2.gz XPHIQXYTVSIOKC-LBPRGKRZSA-N 0 1 383.456 2.349 20 0 GEADMN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000822851213 606524729 /nfs/dbraw/zinc/52/47/29/606524729.db2.gz VRHGLCRJRQHBQS-GOSISDBHSA-N 0 1 380.427 2.412 20 0 GEADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823154575 606528165 /nfs/dbraw/zinc/52/81/65/606528165.db2.gz GQRMGFDCWFBLIM-UHFFFAOYSA-N 0 1 386.456 2.462 20 0 GEADMN CC1(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)CC1 ZINC000820612723 606530281 /nfs/dbraw/zinc/53/02/81/606530281.db2.gz HRVZVKMCJDQUKQ-UHFFFAOYSA-N 0 1 397.439 2.247 20 0 GEADMN C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821586171 606538244 /nfs/dbraw/zinc/53/82/44/606538244.db2.gz MSESFRKOTVRMQV-UHFFFAOYSA-N 0 1 392.435 2.410 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1-c1nn[nH]n1 ZINC000821979482 606585422 /nfs/dbraw/zinc/58/54/22/606585422.db2.gz SHUIQGIZPOYEFC-SSDOTTSWSA-N 0 1 392.391 2.458 20 0 GEADMN O=S(=O)(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cnc2ccsc2c1 ZINC000823589147 606591538 /nfs/dbraw/zinc/59/15/38/606591538.db2.gz PXMPBTJYVLKRKD-UHFFFAOYSA-N 0 1 376.398 2.416 20 0 GEADMN CC(C)CC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000820051007 606606133 /nfs/dbraw/zinc/60/61/33/606606133.db2.gz IZTIMROLXRKGQY-UHFFFAOYSA-N 0 1 387.488 2.453 20 0 GEADMN CC1(C)Cc2cc(S(=O)(=O)Nc3cc(-c4nn[nH]n4)ccc3O)ccc2O1 ZINC000820607325 606610969 /nfs/dbraw/zinc/61/09/69/606610969.db2.gz QNHFGJFMPJRNNN-UHFFFAOYSA-N 0 1 387.421 2.087 20 0 GEADMN NC(=O)[C@H](NC[C@H]1SCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850513 606622147 /nfs/dbraw/zinc/62/21/47/606622147.db2.gz IUQMOJGEENZCMM-IAGOWNOFSA-N 0 1 380.477 2.013 20 0 GEADMN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820820708 606723888 /nfs/dbraw/zinc/72/38/88/606723888.db2.gz PLRQARUWZAFGBJ-YPMHNXCESA-N 0 1 392.460 2.310 20 0 GEADMN O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000822982838 606774343 /nfs/dbraw/zinc/77/43/43/606774343.db2.gz JCHMASGBFWJUNE-HNNXBMFYSA-N 0 1 382.493 2.252 20 0 GEADMN O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000822982838 606774344 /nfs/dbraw/zinc/77/43/44/606774344.db2.gz JCHMASGBFWJUNE-HNNXBMFYSA-N 0 1 382.493 2.252 20 0 GEADMN C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820404505 606778587 /nfs/dbraw/zinc/77/85/87/606778587.db2.gz WRVKWFDRBONUBD-GHMZBOCLSA-N 0 1 390.513 2.149 20 0 GEADMN CN(C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000821572302 606812454 /nfs/dbraw/zinc/81/24/54/606812454.db2.gz ZCTCCMFBDIBRRY-OAHLLOKOSA-N 0 1 398.417 2.491 20 0 GEADMN Cc1cc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc(C)c1F ZINC000822211504 606820912 /nfs/dbraw/zinc/82/09/12/606820912.db2.gz BNPRXOYIYBYHFW-UHFFFAOYSA-N 0 1 390.444 2.489 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCOc1ccccc1-c1nnc[nH]1 ZINC000821702073 606831618 /nfs/dbraw/zinc/83/16/18/606831618.db2.gz GSHJEHZATSCTKG-UHFFFAOYSA-N 0 1 379.380 2.118 20 0 GEADMN O[C@H](CN1CCN(C/C=C/c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681926 606844980 /nfs/dbraw/zinc/84/49/80/606844980.db2.gz LLOROSYWCPHVDP-HXRGIAOBSA-N 0 1 390.491 2.231 20 0 GEADMN COc1ccc(-c2n[nH]c(SC[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000821732245 606847141 /nfs/dbraw/zinc/84/71/41/606847141.db2.gz LXOKUPZTHRAFJK-OAHLLOKOSA-N 0 1 395.448 2.486 20 0 GEADMN O=S(=O)(NCc1ccccc1Cl)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578372 606883795 /nfs/dbraw/zinc/88/37/95/606883795.db2.gz MYNNSOFPXLCLOA-UHFFFAOYSA-N 0 1 385.783 2.277 20 0 GEADMN C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)o1 ZINC000820675396 606886149 /nfs/dbraw/zinc/88/61/49/606886149.db2.gz IQCKPKOXUYQYMS-KCJUWKMLSA-N 0 1 395.391 2.340 20 0 GEADMN Cc1ccccc1C[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822356283 606886985 /nfs/dbraw/zinc/88/69/85/606886985.db2.gz QHCADFJGOHNCPD-LLVKDONJSA-N 0 1 393.419 2.363 20 0 GEADMN O=S(=O)(N[C@H]1CCc2cc(F)ccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572595 606889175 /nfs/dbraw/zinc/88/91/75/606889175.db2.gz JEJYMCMHYGKXNY-AWEZNQCLSA-N 0 1 395.366 2.250 20 0 GEADMN O=S(=O)(N[C@@H]1CCc2ccc(F)cc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572156 606891100 /nfs/dbraw/zinc/89/11/00/606891100.db2.gz CNAXQNAKLWLQBQ-CQSZACIVSA-N 0 1 395.366 2.250 20 0 GEADMN CC(C)[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccn1 ZINC000820027816 606891696 /nfs/dbraw/zinc/89/16/96/606891696.db2.gz UKZPPSLRBIRHPU-CQSZACIVSA-N 0 1 394.407 2.216 20 0 GEADMN O=S(=O)(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572781 606895109 /nfs/dbraw/zinc/89/51/09/606895109.db2.gz MCXSWSHJQWPWSG-JFGNBEQYSA-N 0 1 383.424 2.392 20 0 GEADMN C[C@@H]1N(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCOC1(C)C ZINC000820821658 606931406 /nfs/dbraw/zinc/93/14/06/606931406.db2.gz UHGFHUXCWCHQBQ-NSHDSACASA-N 0 1 390.513 2.245 20 0 GEADMN Cc1cc(Oc2ccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)cc2)n[nH]1 ZINC000822212005 607021644 /nfs/dbraw/zinc/02/16/44/607021644.db2.gz YERYTQRQFDPTCO-UHFFFAOYSA-N 0 1 397.420 2.491 20 0 GEADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820958666 607106709 /nfs/dbraw/zinc/10/67/09/607106709.db2.gz WXQWGPOKYWYXQN-IAGOWNOFSA-N 0 1 386.500 2.008 20 0 GEADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)o1 ZINC000821342510 607121748 /nfs/dbraw/zinc/12/17/48/607121748.db2.gz DFRTYJXDJXSGSW-UHFFFAOYSA-N 0 1 397.800 2.091 20 0 GEADMN O=C(/C=C\SCc1ccco1)Nc1nc2n(c1-c1nn[nH]n1)CCS2 ZINC000822922768 607144609 /nfs/dbraw/zinc/14/46/09/607144609.db2.gz JOGWRLGGPILNAK-UTCJRWHESA-N 0 1 375.439 2.148 20 0 GEADMN CC(=O)Nc1ccc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000819818069 607165635 /nfs/dbraw/zinc/16/56/35/607165635.db2.gz PTXWQOZQGCAJPY-UHFFFAOYSA-N 0 1 388.387 2.023 20 0 GEADMN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820122104 607208579 /nfs/dbraw/zinc/20/85/79/607208579.db2.gz ZZJHEYBYXZODGL-UHFFFAOYSA-N 0 1 395.254 2.202 20 0 GEADMN C[C@@H](c1ccc2ccccc2c1)N(C(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CC1 ZINC000820562541 607210283 /nfs/dbraw/zinc/21/02/83/607210283.db2.gz GOZMWAWTUZEKSL-ZDUSSCGKSA-N 0 1 388.435 2.364 20 0 GEADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1Oc1ccccc1 ZINC000820334811 607212402 /nfs/dbraw/zinc/21/24/02/607212402.db2.gz QPXRZTXTVNEQGC-CYBMUJFWSA-N 0 1 390.407 2.128 20 0 GEADMN O=C(Nc1nnc(C(F)(F)F)s1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823382670 607233147 /nfs/dbraw/zinc/23/31/47/607233147.db2.gz CMOGJORPUSXWPW-UHFFFAOYSA-N 0 1 376.711 2.038 20 0 GEADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824899898 607828810 /nfs/dbraw/zinc/82/88/10/607828810.db2.gz QAUJJTKLPBDESF-CPUCHLNUSA-N 0 1 375.498 2.293 20 0 GEADMN CCOCCN1CCN(c2cc(-c3nn[nH]n3)ccc2C(F)(F)F)C[C@H]1C ZINC000825599118 607841143 /nfs/dbraw/zinc/84/11/43/607841143.db2.gz HYLUGGAKQAGZGH-GFCCVEGCSA-N 0 1 384.406 2.433 20 0 GEADMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCC2 ZINC000825582102 607924351 /nfs/dbraw/zinc/92/43/51/607924351.db2.gz HZWKBYBHKNNJDW-CVEARBPZSA-N 0 1 385.468 2.433 20 0 GEADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCC2 ZINC000825582102 607924352 /nfs/dbraw/zinc/92/43/52/607924352.db2.gz HZWKBYBHKNNJDW-CVEARBPZSA-N 0 1 385.468 2.433 20 0 GEADMN CC[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1c(C)noc1C ZINC000825147254 607939128 /nfs/dbraw/zinc/93/91/28/607939128.db2.gz GXFKGDAYKZAGGQ-LBPRGKRZSA-N 0 1 398.395 2.179 20 0 GEADMN CN1CC[C@@H](NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[C@@H]1c1ccccc1 ZINC000826029619 608007182 /nfs/dbraw/zinc/00/71/82/608007182.db2.gz UWVJURPLTOWBAL-ZBFHGGJFSA-N 0 1 383.843 2.090 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000826279940 608054430 /nfs/dbraw/zinc/05/44/30/608054430.db2.gz IMCLJZXNSPGSPK-UHFFFAOYSA-N 0 1 384.343 2.390 20 0 GEADMN O=C(NCc1nnc[nH]1)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000826443968 608065026 /nfs/dbraw/zinc/06/50/26/608065026.db2.gz LOIXARFSKOMBAQ-UHFFFAOYSA-N 0 1 396.798 2.361 20 0 GEADMN O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826453402 608108025 /nfs/dbraw/zinc/10/80/25/608108025.db2.gz JQDSDERWNDBIHQ-UHFFFAOYSA-N 0 1 384.465 2.137 20 0 GEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826322067 608109509 /nfs/dbraw/zinc/10/95/09/608109509.db2.gz YOGLMUISBMRTPX-UHFFFAOYSA-N 0 1 398.446 2.123 20 0 GEADMN CCCn1c(C)nnc1Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000825356623 608110788 /nfs/dbraw/zinc/11/07/88/608110788.db2.gz BARZQZPYYLMEFJ-UHFFFAOYSA-N 0 1 384.831 2.193 20 0 GEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826322047 608117815 /nfs/dbraw/zinc/11/78/15/608117815.db2.gz XXCAALQVWHRRRL-UHFFFAOYSA-N 0 1 394.483 2.374 20 0 GEADMN O[C@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CC[N@H+](Cc2ccccc2)C1 ZINC000826505937 608187090 /nfs/dbraw/zinc/18/70/90/608187090.db2.gz IRVXJFRSQLXUHP-INIZCTEOSA-N 0 1 391.888 2.026 20 0 GEADMN O[C@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000826505937 608187092 /nfs/dbraw/zinc/18/70/92/608187092.db2.gz IRVXJFRSQLXUHP-INIZCTEOSA-N 0 1 391.888 2.026 20 0 GEADMN O[C@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CC[N@H+](Cc2ccccc2)C1 ZINC000826505937 608187094 /nfs/dbraw/zinc/18/70/94/608187094.db2.gz IRVXJFRSQLXUHP-INIZCTEOSA-N 0 1 391.888 2.026 20 0 GEADMN O[C@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000826505937 608187096 /nfs/dbraw/zinc/18/70/96/608187096.db2.gz IRVXJFRSQLXUHP-INIZCTEOSA-N 0 1 391.888 2.026 20 0 GEADMN O=C(NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1)c1ccc(F)cc1O ZINC000826443717 608188807 /nfs/dbraw/zinc/18/88/07/608188807.db2.gz ADXNCXNVDLJJIR-UHFFFAOYSA-N 0 1 379.355 2.032 20 0 GEADMN COC(=O)[C@@H](NCc1nc2cccc(C)c2[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000826111550 608238895 /nfs/dbraw/zinc/23/88/95/608238895.db2.gz GXJIUZLSDFDIBS-KRWDZBQOSA-N 0 1 377.408 2.055 20 0 GEADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000824739147 608248358 /nfs/dbraw/zinc/24/83/58/608248358.db2.gz VSCBNFWPXVXIFV-GOEBONIOSA-N 0 1 397.435 2.435 20 0 GEADMN CC(=O)N1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC12CCCCC2 ZINC000823980982 608255240 /nfs/dbraw/zinc/25/52/40/608255240.db2.gz IGEBQUFWRWDGDK-UHFFFAOYSA-N 0 1 384.484 2.113 20 0 GEADMN O=Cc1[nH]nc2cc(C(=O)OCc3cn4ccccc4c3-c3nn[nH]n3)ccc12 ZINC000826484220 608255362 /nfs/dbraw/zinc/25/53/62/608255362.db2.gz SNLPQDYCTNHMLG-UHFFFAOYSA-N 0 1 387.359 2.165 20 0 GEADMN O=C(N[C@H]1CCc2[nH]cnc2C1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826432288 608277913 /nfs/dbraw/zinc/27/79/13/608277913.db2.gz WYMWULYDYPKEKO-QMMMGPOBSA-N 0 1 378.223 2.184 20 0 GEADMN CC[NH+](CC)[C@H]1CCN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825411906 608313851 /nfs/dbraw/zinc/31/38/51/608313851.db2.gz HHIBMOPQAUEFFA-KRWDZBQOSA-N 0 1 380.500 2.277 20 0 GEADMN CCN1C[C@H](C)N(C(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C[C@H]1C ZINC000825444271 608315048 /nfs/dbraw/zinc/31/50/48/608315048.db2.gz LDSALYWDWGUANI-RVKKMQEKSA-N 0 1 386.500 2.211 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN(C)CCCNC(=O)OC(C)(C)C ZINC000826168014 608364710 /nfs/dbraw/zinc/36/47/10/608364710.db2.gz ZBJJFWUYBPQPRE-UHFFFAOYSA-N 0 1 376.461 2.222 20 0 GEADMN C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CCN1C[C@@H](O)c1ccccc1 ZINC000824983557 608391631 /nfs/dbraw/zinc/39/16/31/608391631.db2.gz BNAYKZNKPKKEBA-HNAYVOBHSA-N 0 1 396.470 2.246 20 0 GEADMN Clc1ccc(CN(CC[NH+]2CCCC2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826351852 608433303 /nfs/dbraw/zinc/43/33/03/608433303.db2.gz DDBFSURAJNCIMT-UHFFFAOYSA-N 0 1 384.875 2.413 20 0 GEADMN Clc1ccc(CN(CC[NH+]2CCCC2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826351852 608433305 /nfs/dbraw/zinc/43/33/05/608433305.db2.gz DDBFSURAJNCIMT-UHFFFAOYSA-N 0 1 384.875 2.413 20 0 GEADMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000826209442 608460548 /nfs/dbraw/zinc/46/05/48/608460548.db2.gz BWIUTVBHJWOHGU-GFCCVEGCSA-N 0 1 382.424 2.173 20 0 GEADMN C[C@H](NCC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564886 608463638 /nfs/dbraw/zinc/46/36/38/608463638.db2.gz XRORKPQUKDIAQB-LBPRGKRZSA-N 0 1 382.472 2.187 20 0 GEADMN Cc1cccc(OCCCNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826300034 608468168 /nfs/dbraw/zinc/46/81/68/608468168.db2.gz FHAGJRSBUQIAIQ-INIZCTEOSA-N 0 1 394.479 2.411 20 0 GEADMN CCOc1cccc(CNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648936 608468923 /nfs/dbraw/zinc/46/89/23/608468923.db2.gz GWABGJUQSAUPMA-CQSZACIVSA-N 0 1 380.452 2.232 20 0 GEADMN COc1cc([C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)ccc1OCCO ZINC000826177623 608470544 /nfs/dbraw/zinc/47/05/44/608470544.db2.gz OZEUZNHVRRUTAU-LBPRGKRZSA-N 0 1 387.415 2.236 20 0 GEADMN COc1ccc([C@@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1OC ZINC000826187672 608472438 /nfs/dbraw/zinc/47/24/38/608472438.db2.gz BEFJGFJRKKDKCL-SNVBAGLBSA-N 0 1 388.453 2.235 20 0 GEADMN COCCOc1cccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826163105 608515005 /nfs/dbraw/zinc/51/50/05/608515005.db2.gz GVBFURBBBJGLRM-UHFFFAOYSA-N 0 1 394.479 2.214 20 0 GEADMN Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c(-c2nn[n-]n2)c1C ZINC000826341594 608526730 /nfs/dbraw/zinc/52/67/30/608526730.db2.gz LPRVMUOTWRGGPB-QAPCUYQASA-N 0 1 396.451 2.382 20 0 GEADMN CC(=O)Nc1ccc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823999690 608531774 /nfs/dbraw/zinc/53/17/74/608531774.db2.gz HLJQOVASLOVXQQ-UHFFFAOYSA-N 0 1 391.435 2.043 20 0 GEADMN O=C(CNC1(c2cccc(Cl)c2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412579 608537132 /nfs/dbraw/zinc/53/71/32/608537132.db2.gz UJXYSRZYBHFRLO-UHFFFAOYSA-N 0 1 382.855 2.415 20 0 GEADMN CC(C)(C)c1n[nH]cc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824136287 608589486 /nfs/dbraw/zinc/58/94/86/608589486.db2.gz OQJOAXJHMFCJJY-UHFFFAOYSA-N 0 1 397.487 2.075 20 0 GEADMN COc1ccsc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826221881 608590095 /nfs/dbraw/zinc/59/00/95/608590095.db2.gz ZLFPQZYRUSBCTC-UHFFFAOYSA-N 0 1 387.469 2.124 20 0 GEADMN O=C(NC1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1)c1ccccc1 ZINC000826432213 608646031 /nfs/dbraw/zinc/64/60/31/608646031.db2.gz VCUZIUVZLGXLFY-UHFFFAOYSA-N 0 1 380.427 2.400 20 0 GEADMN CC[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[NH+](CC)CC ZINC000825039586 609288886 /nfs/dbraw/zinc/28/88/86/609288886.db2.gz UZZHOENNMQGOBF-CYBMUJFWSA-N 0 1 386.435 2.250 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccccc2-n2cccn2)cc1-c1nn[nH]n1 ZINC000826229523 609296508 /nfs/dbraw/zinc/29/65/08/609296508.db2.gz HYIGNSIPYIOXFR-UHFFFAOYSA-N 0 1 394.420 2.127 20 0 GEADMN COc1cc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)ccc1OCCO ZINC000826179646 609328031 /nfs/dbraw/zinc/32/80/31/609328031.db2.gz XRSPTDOULGQANZ-LBPRGKRZSA-N 0 1 387.415 2.236 20 0 GEADMN C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824571697 609332951 /nfs/dbraw/zinc/33/29/51/609332951.db2.gz RCWINDLOUBWFNB-JQWIXIFHSA-N 0 1 393.369 2.375 20 0 GEADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1Cn1cccn1 ZINC000823821228 609360346 /nfs/dbraw/zinc/36/03/46/609360346.db2.gz PQEKKQDEFHEWQZ-CQSZACIVSA-N 0 1 388.273 2.490 20 0 GEADMN CN1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000826034173 609364404 /nfs/dbraw/zinc/36/44/04/609364404.db2.gz OHMKHRJFXZNAPC-UHFFFAOYSA-N 0 1 378.436 2.437 20 0 GEADMN C[C@H]1CCN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H]1F ZINC000824953517 609373567 /nfs/dbraw/zinc/37/35/67/609373567.db2.gz FDCGLOJAHSBTOH-CMPLNLGQSA-N 0 1 378.477 2.425 20 0 GEADMN C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1F ZINC000824953519 609373999 /nfs/dbraw/zinc/37/39/99/609373999.db2.gz FDCGLOJAHSBTOH-PWSUYJOCSA-N 0 1 378.477 2.425 20 0 GEADMN COc1cc(C)c(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(C)n1 ZINC000826178199 609408273 /nfs/dbraw/zinc/40/82/73/609408273.db2.gz NQYZRWUTCHGKGC-UHFFFAOYSA-N 0 1 379.468 2.209 20 0 GEADMN COc1cc(C)ccc1CN[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826177987 609416900 /nfs/dbraw/zinc/41/69/00/609416900.db2.gz FEJOTFOZSXAMNO-GOSISDBHSA-N 0 1 392.463 2.469 20 0 GEADMN COc1cc(C)ccc1CN[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826177988 609417156 /nfs/dbraw/zinc/41/71/56/609417156.db2.gz FEJOTFOZSXAMNO-SFHVURJKSA-N 0 1 392.463 2.469 20 0 GEADMN Cc1c(Cl)cnc(NCCN2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826239419 609530905 /nfs/dbraw/zinc/53/09/05/609530905.db2.gz HBEPXIQYVMEQOF-UHFFFAOYSA-N 0 1 398.902 2.458 20 0 GEADMN C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)N1CCCC[C@H]1C ZINC000824936033 609538658 /nfs/dbraw/zinc/53/86/58/609538658.db2.gz DNUAZWGBQLNLPX-NEPJUHHUSA-N 0 1 398.920 2.061 20 0 GEADMN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824927067 609545089 /nfs/dbraw/zinc/54/50/89/609545089.db2.gz LVWZKAMYPJISGI-TXEJJXNPSA-N 0 1 398.920 2.061 20 0 GEADMN C[NH+](C)Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000446817173 649989247 /nfs/dbraw/zinc/98/92/47/649989247.db2.gz JRCHOZOLIPZDMS-UHFFFAOYSA-N 0 1 385.848 2.440 20 0 GEADMN CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cncc(Br)c1 ZINC000447939010 650011461 /nfs/dbraw/zinc/01/14/61/650011461.db2.gz DDJUGEQNENHSQM-CYBMUJFWSA-N 0 1 376.320 2.243 20 0 GEADMN COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(F)cc1[O-] ZINC000448915005 650025352 /nfs/dbraw/zinc/02/53/52/650025352.db2.gz ZBAOKDLBEANZDV-JTQLQIEISA-N 0 1 375.238 2.134 20 0 GEADMN Cc1cc(C)c(C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1Br ZINC000448932663 650025945 /nfs/dbraw/zinc/02/59/45/650025945.db2.gz KSJWGJXWPAAJKU-HNNXBMFYSA-N 0 1 382.302 2.136 20 0 GEADMN COC(=O)Cn1cc(CN[C@@H](C)Cc2cc(Br)ccc2F)nn1 ZINC000449213216 650034403 /nfs/dbraw/zinc/03/44/03/650034403.db2.gz UVIXXSNWBSZCLO-JTQLQIEISA-N 0 1 385.237 2.074 20 0 GEADMN 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ASXYPWHAWJUDKS-MXQLGCADSA-N 0 1 385.205 2.224 20 0 GEADMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2S(N)(=O)=O)cc1 ZINC000530508739 532623959 /nfs/dbraw/zinc/62/39/59/532623959.db2.gz XTNJYXGBYZCZLV-UHFFFAOYSA-N 0 1 390.870 2.187 20 0 GEADMN CCc1nc(CNC(=O)NC[C@@H](C)Oc2ccccc2Br)n[nH]1 ZINC000298094121 532624531 /nfs/dbraw/zinc/62/45/31/532624531.db2.gz XPFGDSUFPGBDTB-SNVBAGLBSA-N 0 1 382.262 2.396 20 0 GEADMN COC(=O)[C@H]1CN(C)CCN(C(=O)c2c(C)ccc(Br)c2C)C1 ZINC000566725003 532626654 /nfs/dbraw/zinc/62/66/54/532626654.db2.gz GAFVHQXQYKYTSR-ZDUSSCGKSA-N 0 1 383.286 2.243 20 0 GEADMN CN(C1CC[NH+]([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1)S(C)(=O)=O ZINC000566744158 532626830 /nfs/dbraw/zinc/62/68/30/532626830.db2.gz ZCTVMUSVKSMKQG-AWEZNQCLSA-N 0 1 395.308 2.475 20 0 GEADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1cccs1 ZINC000284842228 532626861 /nfs/dbraw/zinc/62/68/61/532626861.db2.gz SPNZDPRNLOPXER-JTQLQIEISA-N 0 1 397.298 2.263 20 0 GEADMN COc1cc(CN[C@@H](CO)c2sccc2C)cc(Cl)c1OCC(N)=O ZINC000530730135 532627174 /nfs/dbraw/zinc/62/71/74/532627174.db2.gz NPQMGYAFNQHENN-ZDUSSCGKSA-N 0 1 384.885 2.406 20 0 GEADMN CN1C(=S)N=NC1CCNC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000376738312 532627349 /nfs/dbraw/zinc/62/73/49/532627349.db2.gz DRQKITQKIPOHID-UHFFFAOYSA-N 0 1 399.973 2.390 20 0 GEADMN O[C@@H](CNCc1c(F)ccc(I)c1F)[C@H]1CCOC1 ZINC000474803162 532628302 /nfs/dbraw/zinc/62/83/02/532628302.db2.gz YKHDYHOQOJFCCZ-UFBFGSQYSA-N 0 1 383.176 2.056 20 0 GEADMN CO[C@H](CS(=O)(=O)Nc1c(O)ccc(Br)c1C)[C@H]1CCOC1 ZINC000656630886 532628561 /nfs/dbraw/zinc/62/85/61/532628561.db2.gz GLZRROSINBQQNQ-GXFFZTMASA-N 0 1 394.287 2.256 20 0 GEADMN Cn1cnc(CCNCc2c(F)ccc(I)c2F)n1 ZINC000474805348 532629072 /nfs/dbraw/zinc/62/90/72/532629072.db2.gz BDHVIJIWBAVPJH-UHFFFAOYSA-N 0 1 378.164 2.030 20 0 GEADMN CSc1c(F)cccc1C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000436184994 532630604 /nfs/dbraw/zinc/63/06/04/532630604.db2.gz FBACNLJHNWCBLA-ZDUSSCGKSA-N 0 1 388.530 2.129 20 0 GEADMN CCCOc1c(Cl)cc(CNCCNS(=O)(=O)N(C)C)cc1OCC ZINC000298170538 532630722 /nfs/dbraw/zinc/63/07/22/532630722.db2.gz UGCZCKGKDBIVRV-UHFFFAOYSA-N 0 1 393.937 2.013 20 0 GEADMN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1cncc(Br)c1 ZINC000566927094 532630920 /nfs/dbraw/zinc/63/09/20/532630920.db2.gz ULYCOXFJBTYCIX-RISCZKNCSA-N 0 1 378.274 2.424 20 0 GEADMN Cc1[nH]c(SCC(=O)NC[C@]2(O)CCSC2)nc1Cc1ccccc1 ZINC000474897126 532630960 /nfs/dbraw/zinc/63/09/60/532630960.db2.gz SJIOGLKSMFXYLK-GOSISDBHSA-N 0 1 377.535 2.385 20 0 GEADMN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)CCCCc1cn[nH]n1 ZINC000298183036 532632505 /nfs/dbraw/zinc/63/25/05/532632505.db2.gz DUKIVJJHLPQCQZ-OAHLLOKOSA-N 0 1 381.274 2.472 20 0 GEADMN CS(=O)(=O)c1ccc(F)c(CNC[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000567043614 532636971 /nfs/dbraw/zinc/63/69/71/532636971.db2.gz NDDSMHDEZNEDLG-CQSZACIVSA-N 0 1 387.860 2.412 20 0 GEADMN C[C@H](CNS(=O)(=O)c1ncccc1Br)N1CCCC[C@H]1C ZINC000656878111 532637138 /nfs/dbraw/zinc/63/71/38/532637138.db2.gz XZUZHMGVRRNCMD-VXGBXAGGSA-N 0 1 376.320 2.385 20 0 GEADMN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656875854 532637755 /nfs/dbraw/zinc/63/77/55/532637755.db2.gz KQCDJOIAHXPQBZ-CHWSQXEVSA-N 0 1 390.347 2.490 20 0 GEADMN CC1=CCN(CCNC(=O)c2cc(I)ccc2O)CC1 ZINC000436527852 532637908 /nfs/dbraw/zinc/63/79/08/532637908.db2.gz FHHDTCPDBCWTNH-UHFFFAOYSA-N 0 1 386.233 2.379 20 0 GEADMN CC[C@@H](C(=O)OC)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000436534257 532638108 /nfs/dbraw/zinc/63/81/08/532638108.db2.gz WMOSWRMPKJOBAW-LBPRGKRZSA-N 0 1 375.252 2.408 20 0 GEADMN Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N(C)Cc1cnc[nH]1)C2 ZINC000632687151 532638802 /nfs/dbraw/zinc/63/88/02/532638802.db2.gz CPJMKIUJHJZGJV-UHFFFAOYSA-N 0 1 391.269 2.024 20 0 GEADMN O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CCN(C2CC2)C1 ZINC000656884284 532639817 /nfs/dbraw/zinc/63/98/17/532639817.db2.gz AQQXUSPBHQGKLE-GFCCVEGCSA-N 0 1 377.279 2.244 20 0 GEADMN CN(CC1CN(C)C1)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000598155927 532642044 /nfs/dbraw/zinc/64/20/44/532642044.db2.gz CEXPDFCBJFTGJW-UHFFFAOYSA-N 0 1 384.261 2.343 20 0 GEADMN COC(=O)C1CC[NH+](CCCNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436731891 532643155 /nfs/dbraw/zinc/64/31/55/532643155.db2.gz REWPQIHTQIVTED-UHFFFAOYSA-N 0 1 399.285 2.160 20 0 GEADMN COc1ccc(NS(=O)(=O)c2c(C)cnn2C)cc1OCC(F)(F)F ZINC000285068224 532644003 /nfs/dbraw/zinc/64/40/03/532644003.db2.gz JYEUZURXHUQIHQ-UHFFFAOYSA-N 0 1 379.360 2.479 20 0 GEADMN Cc1cnn(C)c1S(=O)(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000285076698 532645209 /nfs/dbraw/zinc/64/52/09/532645209.db2.gz LSANDNZNMZZUBR-UHFFFAOYSA-N 0 1 380.539 2.387 20 0 GEADMN CCC[C@H]1CNCCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000567732648 532660378 /nfs/dbraw/zinc/66/03/78/532660378.db2.gz KIAPXUKTZCUSHV-NSHDSACASA-N 0 1 388.331 2.183 20 0 GEADMN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000533167603 532661479 /nfs/dbraw/zinc/66/14/79/532661479.db2.gz UQZBPSXSBQNUIT-SECBINFHSA-N 0 1 384.845 2.091 20 0 GEADMN O=S(=O)(Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)c1ccco1 ZINC000437659073 532662212 /nfs/dbraw/zinc/66/22/12/532662212.db2.gz WPDLBTMUSQDCGZ-UHFFFAOYSA-N 0 1 394.833 2.314 20 0 GEADMN COC(=O)CSCc1cccc(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000437678307 532663100 /nfs/dbraw/zinc/66/31/00/532663100.db2.gz NLTYPRSNGLNYOR-UHFFFAOYSA-N 0 1 381.479 2.036 20 0 GEADMN O=C(CCSc1ccccc1Br)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000377595492 532663289 /nfs/dbraw/zinc/66/32/89/532663289.db2.gz OMFDUCFDSULIMQ-LLVKDONJSA-N 0 1 398.286 2.045 20 0 GEADMN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c(Cl)c1 ZINC000285257189 532663704 /nfs/dbraw/zinc/66/37/04/532663704.db2.gz HNTMRKYCEHQQED-OCCSQVGLSA-N 0 1 386.901 2.374 20 0 GEADMN O=S(=O)([N-]CC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c(F)c1F ZINC000264160836 532663994 /nfs/dbraw/zinc/66/39/94/532663994.db2.gz FUGBZWLNEFAQPR-UHFFFAOYSA-N 0 1 378.416 2.027 20 0 GEADMN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCCC[C@H]2CN(C)C)c1 ZINC000660009181 532669375 /nfs/dbraw/zinc/66/93/75/532669375.db2.gz NNRIXTMSWIOSPK-AWEZNQCLSA-N 0 1 387.933 2.113 20 0 GEADMN CC[C@@H](C)CN(C)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000534137669 532669380 /nfs/dbraw/zinc/66/93/80/532669380.db2.gz ZODNFRSQYKLTSH-GFCCVEGCSA-N 0 1 378.516 2.123 20 0 GEADMN COc1nc(N2CCN(C[C@H](OC)C3CCC3)CC2)ncc1Br ZINC000659994159 532667072 /nfs/dbraw/zinc/66/70/72/532667072.db2.gz SNLFNTBUPFTBIK-AWEZNQCLSA-N 0 1 385.306 2.185 20 0 GEADMN O=C(CN1CCN(CC[C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000438125107 532667037 /nfs/dbraw/zinc/66/70/37/532667037.db2.gz WFFDBSMFNTUIIK-OAHLLOKOSA-N 0 1 396.329 2.432 20 0 GEADMN COCc1nc2sc(C(=O)Nc3nc(SC)n[nH]3)c(C)c2c(OC)n1 ZINC000263870059 532646781 /nfs/dbraw/zinc/64/67/81/532646781.db2.gz MDSXLSOEMQGEIE-UHFFFAOYSA-N 0 1 380.455 2.247 20 0 GEADMN CN1c2ccc(Br)cc2N(C(=O)CCc2nn[nH]n2)CC1(C)C ZINC000632815068 532646866 /nfs/dbraw/zinc/64/68/66/532646866.db2.gz PYJQLEMREZDXEM-UHFFFAOYSA-N 0 1 379.262 2.156 20 0 GEADMN C[C@@H](C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC000298400370 532647519 /nfs/dbraw/zinc/64/75/19/532647519.db2.gz FAPQUKJLIRIRKK-OZTPJHRESA-N 0 1 382.302 2.353 20 0 GEADMN C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000285089577 532647569 /nfs/dbraw/zinc/64/75/69/532647569.db2.gz LDMPZOIYVVYRDC-IUODEOHRSA-N 0 1 380.432 2.004 20 0 GEADMN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000532314047 532648138 /nfs/dbraw/zinc/64/81/38/532648138.db2.gz BFIALRIBALQSLL-IINYFYTJSA-N 0 1 385.873 2.492 20 0 GEADMN COC(=O)C(C)(C)CS(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000377301454 532650972 /nfs/dbraw/zinc/65/09/72/532650972.db2.gz RIBCJDPZPPSTKB-DZGCQCFKSA-N 0 1 388.555 2.250 20 0 GEADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656983122 532653408 /nfs/dbraw/zinc/65/34/08/532653408.db2.gz RHWIYWDTVCKVNK-UHFFFAOYSA-N 0 1 385.287 2.444 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)NCCc2ccccc2C(F)(F)F)on1 ZINC000599219086 532653703 /nfs/dbraw/zinc/65/37/03/532653703.db2.gz ZZXSXWMKQCZFOM-UHFFFAOYSA-N 0 1 378.328 2.001 20 0 GEADMN CN1CCN(C)[C@@H](CNC(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000567466396 532655918 /nfs/dbraw/zinc/65/59/18/532655918.db2.gz DTHIXTCBQZIXEO-ZDUSSCGKSA-N 0 1 389.725 2.148 20 0 GEADMN CCC[N@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599309910 532657086 /nfs/dbraw/zinc/65/70/86/532657086.db2.gz LTQGQMAAOLSLEV-LLVKDONJSA-N 0 1 378.441 2.150 20 0 GEADMN CCC[N@@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599309910 532657090 /nfs/dbraw/zinc/65/70/90/532657090.db2.gz LTQGQMAAOLSLEV-LLVKDONJSA-N 0 1 378.441 2.150 20 0 GEADMN CCS[C@H]1CCCCN([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000264943087 532684988 /nfs/dbraw/zinc/68/49/88/532684988.db2.gz SOFMCAUDDCMZCC-ZFWWWQNUSA-N 0 1 385.555 2.269 20 0 GEADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285331654 532669690 /nfs/dbraw/zinc/66/96/90/532669690.db2.gz XPIPXFIGCKNREV-LLVKDONJSA-N 0 1 399.866 2.273 20 0 GEADMN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC000482506993 532670915 /nfs/dbraw/zinc/67/09/15/532670915.db2.gz HWIDGAYJLYYKLY-UHFFFAOYSA-N 0 1 379.866 2.018 20 0 GEADMN COc1cccc([C@H](CNC(=O)Cn2cc(Br)cn2)N(C)C)c1 ZINC000298745437 532670946 /nfs/dbraw/zinc/67/09/46/532670946.db2.gz YPNUTZFYRCVDPT-HNNXBMFYSA-N 0 1 381.274 2.073 20 0 GEADMN Cc1cc(I)cc(C(=O)NCCCc2nc[nH]n2)c1C ZINC000568144912 532671404 /nfs/dbraw/zinc/67/14/04/532671404.db2.gz DZYJRRJXVCAFIE-UHFFFAOYSA-N 0 1 384.221 2.389 20 0 GEADMN CC1(C)COCCN1CCNCc1cn(-c2ccccc2Br)nn1 ZINC000568133548 532671737 /nfs/dbraw/zinc/67/17/37/532671737.db2.gz BGUXGHYYZRECCA-UHFFFAOYSA-N 0 1 394.317 2.230 20 0 GEADMN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298756615 532673247 /nfs/dbraw/zinc/67/32/47/532673247.db2.gz YYDXFASBDAUSKS-CYBMUJFWSA-N 0 1 394.273 2.320 20 0 GEADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC(C)(C)CC1 ZINC000534879847 532673903 /nfs/dbraw/zinc/67/39/03/532673903.db2.gz UZYQFHXQLPAIGK-UHFFFAOYSA-N 0 1 390.527 2.268 20 0 GEADMN CCc1nc([C@H](C)NS(=O)(=O)c2cc(Br)c(F)cc2F)n[nH]1 ZINC000534979752 532676138 /nfs/dbraw/zinc/67/61/38/532676138.db2.gz BEROBFAIKNFRAE-LURJTMIESA-N 0 1 395.229 2.447 20 0 GEADMN C[C@@H](O)CN1CCN(C(=O)NCc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000484340716 532677723 /nfs/dbraw/zinc/67/77/23/532677723.db2.gz WTNXXMQJDLGRHK-NWDGAFQWSA-N 0 1 388.281 2.185 20 0 GEADMN OCC1(CO)CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000661948245 532683382 /nfs/dbraw/zinc/68/33/82/532683382.db2.gz NLUNRJZSXVSAHJ-UHFFFAOYSA-N 0 1 378.270 2.083 20 0 GEADMN CC(C)C(=O)NCCN(C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439440390 532693474 /nfs/dbraw/zinc/69/34/74/532693474.db2.gz PUEHRURCFUMLPX-CQSZACIVSA-N 0 1 391.281 2.032 20 0 GEADMN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN(C)[C@@H]2CCSC2)cc1 ZINC000536583526 532694981 /nfs/dbraw/zinc/69/49/81/532694981.db2.gz QXEPVWQQWJBKRU-CVEARBPZSA-N 0 1 379.551 2.272 20 0 GEADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000487347459 532695772 /nfs/dbraw/zinc/69/57/72/532695772.db2.gz XBNGGTPECWMIFL-UHFFFAOYSA-N 0 1 390.870 2.105 20 0 GEADMN CN(C(=O)C(=O)Nc1cc(Br)ccc1F)[C@H]1CCN(C2CC2)C1 ZINC000439589265 532696929 /nfs/dbraw/zinc/69/69/29/532696929.db2.gz AKNYONBERBBRNG-LBPRGKRZSA-N 0 1 384.249 2.222 20 0 GEADMN N[C@H](c1cn(CC(=O)NC2CCCC2)nn1)c1ccc(Br)cc1 ZINC000640763659 532697235 /nfs/dbraw/zinc/69/72/35/532697235.db2.gz LVWZEZDIKYZDID-INIZCTEOSA-N 0 1 378.274 2.148 20 0 GEADMN COCc1nc(CNC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)n[nH]1 ZINC000666112272 532697506 /nfs/dbraw/zinc/69/75/06/532697506.db2.gz AMWWNFNNQPJGLZ-LLVKDONJSA-N 0 1 388.255 2.133 20 0 GEADMN COCc1nnc(CNC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)[nH]1 ZINC000666112272 532697515 /nfs/dbraw/zinc/69/75/15/532697515.db2.gz AMWWNFNNQPJGLZ-LLVKDONJSA-N 0 1 388.255 2.133 20 0 GEADMN COCc1nc(CNC(=O)N2CCc3cc(Br)cc(F)c32)n[nH]1 ZINC000666116741 532697910 /nfs/dbraw/zinc/69/79/10/532697910.db2.gz YWLJHTILSTWTGV-UHFFFAOYSA-N 0 1 384.209 2.125 20 0 GEADMN COCc1nnc(CNC(=O)N2CCc3cc(Br)cc(F)c32)[nH]1 ZINC000666116741 532697914 /nfs/dbraw/zinc/69/79/14/532697914.db2.gz YWLJHTILSTWTGV-UHFFFAOYSA-N 0 1 384.209 2.125 20 0 GEADMN Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000439589248 532698263 /nfs/dbraw/zinc/69/82/63/532698263.db2.gz AGTNMTCNBLGWPV-CYBMUJFWSA-N 0 1 380.286 2.391 20 0 GEADMN COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCOC2CCCCCC2)C1 ZINC000488077327 532699094 /nfs/dbraw/zinc/69/90/94/532699094.db2.gz QMUDDPDDGPEJLG-GOSISDBHSA-N 0 1 376.563 2.098 20 0 GEADMN Cc1ccc(F)c(C[NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)c1 ZINC000439764236 532701049 /nfs/dbraw/zinc/70/10/49/532701049.db2.gz GYGCTTYOUUBFOB-UHFFFAOYSA-N 0 1 383.411 2.085 20 0 GEADMN O=S(=O)(CC[C@H]1CCOC1)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000641595388 532701428 /nfs/dbraw/zinc/70/14/28/532701428.db2.gz ZKGZNYKOKGSAOJ-GFCCVEGCSA-N 0 1 384.889 2.014 20 0 GEADMN CC[C@H](C)N(CCO)CC(=O)Nc1cccc(I)c1 ZINC000381956155 532701731 /nfs/dbraw/zinc/70/17/31/532701731.db2.gz CMYRZRZUEJODRF-NSHDSACASA-N 0 1 376.238 2.323 20 0 GEADMN Cc1cc(CNC(=O)NCC(=O)Nc2cc(Br)ccc2C)n[nH]1 ZINC000606519207 532702183 /nfs/dbraw/zinc/70/21/83/532702183.db2.gz DDDBQSMUMPRZMC-UHFFFAOYSA-N 0 1 380.246 2.227 20 0 GEADMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000569658877 532702239 /nfs/dbraw/zinc/70/22/39/532702239.db2.gz XDVTWYRFKDNESW-CYBMUJFWSA-N 0 1 385.917 2.376 20 0 GEADMN CCCc1nc(C)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)s1 ZINC000486108950 532688198 /nfs/dbraw/zinc/68/81/98/532688198.db2.gz MBJJXBIRJCMTFF-UHFFFAOYSA-N 0 1 380.495 2.395 20 0 GEADMN C[C@H](c1ccccc1F)[NH+]1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439288713 532688225 /nfs/dbraw/zinc/68/82/25/532688225.db2.gz YCQRVQDDJIQGPA-LLVKDONJSA-N 0 1 383.411 2.337 20 0 GEADMN COC(=O)CCNC(=O)CN1CCC(c2cccc(Br)c2)CC1 ZINC000439331546 532690559 /nfs/dbraw/zinc/69/05/59/532690559.db2.gz YBJNBXUSMBHJSP-UHFFFAOYSA-N 0 1 383.286 2.308 20 0 GEADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000439359402 532690682 /nfs/dbraw/zinc/69/06/82/532690682.db2.gz OMXRIXSXVXWFME-SECBINFHSA-N 0 1 390.228 2.218 20 0 GEADMN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2[nH]nc(C)c2C)s1 ZINC000265263400 532690824 /nfs/dbraw/zinc/69/08/24/532690824.db2.gz UTVLWVFNZKNALS-UHFFFAOYSA-N 0 1 384.527 2.091 20 0 GEADMN Cc1nc(CC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)n[nH]1 ZINC000666840961 532703703 /nfs/dbraw/zinc/70/37/03/532703703.db2.gz QDTNJYOGIIZSGZ-MRVPVSSYSA-N 0 1 381.230 2.067 20 0 GEADMN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(F)F ZINC000383558316 532704076 /nfs/dbraw/zinc/70/40/76/532704076.db2.gz RXIUQMIALOZJSO-MRVPVSSYSA-N 0 1 377.638 2.363 20 0 GEADMN CC(C)NS(=O)(=O)Cc1ccc(CNCc2cnc(N(C)C)s2)cc1 ZINC000299242211 532704305 /nfs/dbraw/zinc/70/43/05/532704305.db2.gz VIFOUCUDKUQAPJ-UHFFFAOYSA-N 0 1 382.555 2.327 20 0 GEADMN COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440053460 532704822 /nfs/dbraw/zinc/70/48/22/532704822.db2.gz QTCYUASYYRNXTI-JTQLQIEISA-N 0 1 392.258 2.298 20 0 GEADMN Cc1nc([C@@H]2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)n[nH]1 ZINC000572607753 532706355 /nfs/dbraw/zinc/70/63/55/532706355.db2.gz XPHJKESJSVNHNG-RNCFNFMXSA-N 0 1 382.237 2.031 20 0 GEADMN Cc1nnc([C@@H]2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)[nH]1 ZINC000572607753 532706362 /nfs/dbraw/zinc/70/63/62/532706362.db2.gz XPHJKESJSVNHNG-RNCFNFMXSA-N 0 1 382.237 2.031 20 0 GEADMN COC(=O)[C@H](CNC(=O)c1[nH]nc(C)c1C)Oc1ccc(Br)cc1 ZINC000285811460 532710990 /nfs/dbraw/zinc/71/09/90/532710990.db2.gz RSXFOTKUSASOSQ-ZDUSSCGKSA-N 0 1 396.241 2.139 20 0 GEADMN C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1)c1cscn1 ZINC000668370809 532711320 /nfs/dbraw/zinc/71/13/20/532711320.db2.gz CNXQRXPDXACCQW-GXTWGEPZSA-N 0 1 378.523 2.335 20 0 GEADMN C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C1CC[NH+](C)CC1 ZINC000396482359 532711620 /nfs/dbraw/zinc/71/16/20/532711620.db2.gz JOHWNKYUFAVVEI-SNVBAGLBSA-N 0 1 388.249 2.457 20 0 GEADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440382536 532711787 /nfs/dbraw/zinc/71/17/87/532711787.db2.gz NQQMPAKLSGYWRL-CQSZACIVSA-N 0 1 381.929 2.407 20 0 GEADMN CCNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)CCC1CCCC1 ZINC000573792193 532711907 /nfs/dbraw/zinc/71/19/07/532711907.db2.gz RZKIPQYZMIWZKL-UHFFFAOYSA-N 0 1 378.491 2.446 20 0 GEADMN COc1ccc(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000608077695 532712788 /nfs/dbraw/zinc/71/27/88/532712788.db2.gz XYDLMXNFGRAOPW-ABAIWWIYSA-N 0 1 393.285 2.475 20 0 GEADMN CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000285876765 532715851 /nfs/dbraw/zinc/71/58/51/532715851.db2.gz LORHMNNVAWQFJG-GXFFZTMASA-N 0 1 384.274 2.213 20 0 GEADMN COCCN1CC[C@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC000266365678 532715843 /nfs/dbraw/zinc/71/58/43/532715843.db2.gz QPNFIJXRJVJZLB-JTQLQIEISA-N 0 1 377.304 2.278 20 0 GEADMN CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000285876776 532716466 /nfs/dbraw/zinc/71/64/66/532716466.db2.gz LORHMNNVAWQFJG-ZWNOBZJWSA-N 0 1 384.274 2.213 20 0 GEADMN COCCN1CC[C@@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC000266365683 532716557 /nfs/dbraw/zinc/71/65/57/532716557.db2.gz QPNFIJXRJVJZLB-SNVBAGLBSA-N 0 1 377.304 2.278 20 0 GEADMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670495219 532717005 /nfs/dbraw/zinc/71/70/05/532717005.db2.gz ANBCDCACXJCEAL-BZNIZROVSA-N 0 1 384.307 2.251 20 0 GEADMN O=C(CNS(=O)(=O)c1c(Cl)ccc(F)c1F)NCCc1ccccc1 ZINC000670857670 532720782 /nfs/dbraw/zinc/72/07/82/532720782.db2.gz JIEIWBMJKISMOB-UHFFFAOYSA-N 0 1 388.823 2.255 20 0 GEADMN O=C(CCn1cc(Br)ccc1=O)Nc1ccccc1-c1nnc[nH]1 ZINC000538871116 532722531 /nfs/dbraw/zinc/72/25/31/532722531.db2.gz OBTAXHHRRFMSRD-UHFFFAOYSA-N 0 1 388.225 2.425 20 0 GEADMN Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[C@H](O)CN2CCN(C)CC2)n1 ZINC000576128837 532723537 /nfs/dbraw/zinc/72/35/37/532723537.db2.gz IIUNSXRJLXAWMD-CQSZACIVSA-N 0 1 384.311 2.169 20 0 GEADMN CCN(CC)CCN(C(=O)c1cc(SC)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000613011826 532725864 /nfs/dbraw/zinc/72/58/64/532725864.db2.gz KFJQUSXFFLBGMO-CQSZACIVSA-N 0 1 388.555 2.281 20 0 GEADMN Cc1cc(CNC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000672539172 532727577 /nfs/dbraw/zinc/72/75/77/532727577.db2.gz TUYVVIRACCABIU-OAHLLOKOSA-N 0 1 378.885 2.304 20 0 GEADMN CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCc1cc(C)[nH]n1 ZINC000672538930 532727790 /nfs/dbraw/zinc/72/77/90/532727790.db2.gz JJEBATIRFFEHRH-UHFFFAOYSA-N 0 1 379.258 2.146 20 0 GEADMN C[C@@H](NCC[S@](=O)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539302524 532728099 /nfs/dbraw/zinc/72/80/99/532728099.db2.gz ATBAFTGEBWZIIK-MYYSRTQBSA-N 0 1 380.535 2.395 20 0 GEADMN O=S1(=O)NC(CN[C@@H](CO)c2cccc(Cl)c2F)=Nc2ccccc21 ZINC000499957421 532728969 /nfs/dbraw/zinc/72/89/69/532728969.db2.gz STPNIXGGRSMBTG-ZDUSSCGKSA-N 0 1 383.832 2.124 20 0 GEADMN CNC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1 ZINC000499964961 532729354 /nfs/dbraw/zinc/72/93/54/532729354.db2.gz NXPYKJVCHQPILG-UHFFFAOYSA-N 0 1 381.841 2.323 20 0 GEADMN COc1ccc(Br)c(S(=O)(=O)NC2CCN(C3CC3)CC2)c1 ZINC000673818588 532731118 /nfs/dbraw/zinc/73/11/18/532731118.db2.gz LCEQSGXIVUWHSM-UHFFFAOYSA-N 0 1 389.315 2.363 20 0 GEADMN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)CSc1n[nH]c(=S)s1 ZINC000266971998 532731829 /nfs/dbraw/zinc/73/18/29/532731829.db2.gz BVRJAVVZUCLQEB-SECBINFHSA-N 0 1 390.556 2.435 20 0 GEADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408437596 532718480 /nfs/dbraw/zinc/71/84/80/532718480.db2.gz BFCMFMPYZYUKHD-RJIBLYRGSA-N 0 1 377.238 2.134 20 0 GEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000299462227 532719119 /nfs/dbraw/zinc/71/91/19/532719119.db2.gz XMLDUELBKXCHPK-AWEZNQCLSA-N 0 1 377.242 2.150 20 0 GEADMN Cc1c(Br)cncc1C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615088237 532746509 /nfs/dbraw/zinc/74/65/09/532746509.db2.gz QPEDINGOUCXWOD-GFCCVEGCSA-N 0 1 382.302 2.478 20 0 GEADMN Cc1nc([C@@H](C)NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)n[nH]1 ZINC000286198115 532733772 /nfs/dbraw/zinc/73/37/72/532733772.db2.gz AUPQBHBKGPQQIM-KOLCDFICSA-N 0 1 392.257 2.106 20 0 GEADMN COc1ccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000673885701 532734396 /nfs/dbraw/zinc/73/43/96/532734396.db2.gz KHUMBCOWFSBOSL-OAHLLOKOSA-N 0 1 383.286 2.327 20 0 GEADMN CC(C)[C@@H](CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)N1CCC(C)CC1 ZINC000500752446 532735261 /nfs/dbraw/zinc/73/52/61/532735261.db2.gz FHYWDVXNHLVUPT-YESZJQIVSA-N 0 1 375.579 2.206 20 0 GEADMN CC(C)[C@@H](CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N1CCC(C)CC1 ZINC000500752439 532735847 /nfs/dbraw/zinc/73/58/47/532735847.db2.gz FHYWDVXNHLVUPT-BRWVUGGUSA-N 0 1 375.579 2.206 20 0 GEADMN Cc1[nH]c(SCC(=O)NCC2([S@](C)=O)CC2)nc1Cc1ccccc1 ZINC000442945689 532736212 /nfs/dbraw/zinc/73/62/12/532736212.db2.gz XBXKTGKUPWCCAY-VWLOTQADSA-N 0 1 377.535 2.428 20 0 GEADMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCc1nc[nH]n1 ZINC000267170753 532736382 /nfs/dbraw/zinc/73/63/82/532736382.db2.gz LXRNUDIQFUYYFQ-UHFFFAOYSA-N 0 1 376.873 2.403 20 0 GEADMN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CN(C)[C@@H]1CCSC1 ZINC000501127693 532736612 /nfs/dbraw/zinc/73/66/12/532736612.db2.gz IZJWMIGRHUFFST-ZBFHGGJFSA-N 0 1 379.551 2.272 20 0 GEADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCCc2n[nH]nc21 ZINC000614496100 532736750 /nfs/dbraw/zinc/73/67/50/532736750.db2.gz ZTZKGHXOIPDRRM-JMCQJSRRSA-N 0 1 381.205 2.376 20 0 GEADMN O=C(NC[C@H]1CN2CCN1CCC2)c1cc(Cl)c(Br)cc1F ZINC000614503536 532738287 /nfs/dbraw/zinc/73/82/87/532738287.db2.gz MTPMAVLWWWAFPW-JTQLQIEISA-N 0 1 390.684 2.361 20 0 GEADMN O=C(Cc1cc(Cl)ccc1Br)NC[C@@H]1CN2CCN1CCC2 ZINC000614509049 532738725 /nfs/dbraw/zinc/73/87/25/532738725.db2.gz ZJIUALRWODKRJF-CQSZACIVSA-N 0 1 386.721 2.151 20 0 GEADMN COC(=O)CCN1CCN(Cc2cc3c(cc2Br)OCO3)[C@@H](C)C1 ZINC000540422468 532739114 /nfs/dbraw/zinc/73/91/14/532739114.db2.gz URCPEYCSSHJOOB-LBPRGKRZSA-N 0 1 399.285 2.247 20 0 GEADMN O=C(NC[C@@H]1CN2CCN1CCC2)c1ccc(Br)c(Cl)c1F ZINC000614505694 532739805 /nfs/dbraw/zinc/73/98/05/532739805.db2.gz RRJNXQUIAOIKLO-SNVBAGLBSA-N 0 1 390.684 2.361 20 0 GEADMN Cc1ccn(CC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c(=O)c1 ZINC000579313012 532739978 /nfs/dbraw/zinc/73/99/78/532739978.db2.gz HOMATBHUKBENCO-UHFFFAOYSA-N 0 1 388.225 2.343 20 0 GEADMN CN1CCN(C(=O)CN[C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675781889 532741186 /nfs/dbraw/zinc/74/11/86/532741186.db2.gz 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C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[NH+]2CCC(C(=O)[O-])CC2)C1=O ZINC000737735483 596956244 /nfs/dbraw/zinc/95/62/44/596956244.db2.gz WMUNRPBOJKIZLL-KRWDZBQOSA-N 0 1 383.807 2.000 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000676232411 597069435 /nfs/dbraw/zinc/06/94/35/597069435.db2.gz BBNBRPOUMQVNAG-HNNXBMFYSA-N 0 1 385.464 2.471 20 0 GEADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818603271 597070081 /nfs/dbraw/zinc/07/00/81/597070081.db2.gz ASBGKGZMWCISIF-JSGCOSHPSA-N 0 1 377.441 2.167 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000819380460 597077539 /nfs/dbraw/zinc/07/75/39/597077539.db2.gz NOUKBPXSGMOESM-INIZCTEOSA-N 0 1 375.469 2.039 20 0 GEADMN C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000533203376 597080553 /nfs/dbraw/zinc/08/05/53/597080553.db2.gz ADEKCUMWOZNIJZ-KKUMJFAQSA-N 0 1 376.453 2.210 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@H](SC)C2)cc1-c1nn[nH]n1 ZINC000737187805 599242662 /nfs/dbraw/zinc/24/26/62/599242662.db2.gz VPCQYWYWQLIXLP-IUCAKERBSA-N 0 1 380.499 2.093 20 0 GEADMN O=C([O-])Cc1cccc(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000738625214 597194405 /nfs/dbraw/zinc/19/44/05/597194405.db2.gz HRWCEFORRSQVPL-NRFANRHFSA-N 0 1 383.448 2.072 20 0 GEADMN Cc1c(NC(=O)NC2CCN(Cc3ccccn3)CC2)cccc1-c1nn[nH]n1 ZINC000822090347 607283336 /nfs/dbraw/zinc/28/33/36/607283336.db2.gz KHWBZSFLLRRAGD-UHFFFAOYSA-N 0 1 392.467 2.356 20 0 GEADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])C[C@@H](C)O1 ZINC000818112622 597339892 /nfs/dbraw/zinc/33/98/92/597339892.db2.gz FFSOKIPJVKKFLY-BFYDXBDKSA-N 0 1 375.469 2.419 20 0 GEADMN CC(C)c1nc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])nn1-c1ccccc1F ZINC000817990647 597455202 /nfs/dbraw/zinc/45/52/02/597455202.db2.gz PORNNEKVKRWEBE-ZDUSSCGKSA-N 0 1 390.415 2.236 20 0 GEADMN Cc1cc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C(=O)[O-] ZINC000821023756 597487626 /nfs/dbraw/zinc/48/76/26/597487626.db2.gz KBRUDUPDOVECJR-JWTNVVGKSA-N 0 1 386.496 2.468 20 0 GEADMN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1C(=O)[O-] ZINC000820996927 597490856 /nfs/dbraw/zinc/49/08/56/597490856.db2.gz OMXMSPFUHNBWDV-HNNXBMFYSA-N 0 1 375.469 2.116 20 0 GEADMN COc1ccc(-c2nc(NC(=O)C[N@@H+]3CC[C@@H](C(=O)[O-])C3)sc2C)cc1 ZINC000818570743 597536511 /nfs/dbraw/zinc/53/65/11/597536511.db2.gz RFBGCNFVNSJSPQ-CYBMUJFWSA-N 0 1 375.450 2.472 20 0 GEADMN COc1ccc(-c2nc(NC(=O)C[N@H+]3CC[C@@H](C(=O)[O-])C3)sc2C)cc1 ZINC000818570743 597536513 /nfs/dbraw/zinc/53/65/13/597536513.db2.gz RFBGCNFVNSJSPQ-CYBMUJFWSA-N 0 1 375.450 2.472 20 0 GEADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCS[C@H](c2ccccc2)C1 ZINC000738388972 599273247 /nfs/dbraw/zinc/27/32/47/599273247.db2.gz UTJLUILMZKVPRZ-MJGOQNOKSA-N 0 1 397.504 2.397 20 0 GEADMN Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C(=O)[O-] ZINC000820991368 597708065 /nfs/dbraw/zinc/70/80/65/597708065.db2.gz CLQVMBLAAIZZSU-LSDHHAIUSA-N 0 1 387.480 2.401 20 0 GEADMN CCn1ncc2c1CCC[C@H]2N[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736731657 599288790 /nfs/dbraw/zinc/28/87/90/599288790.db2.gz QGBIYUCJAUJYRQ-BLLLJJGKSA-N 0 1 380.456 2.077 20 0 GEADMN C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000820620131 598022808 /nfs/dbraw/zinc/02/28/08/598022808.db2.gz GLUZQZZCLXIVPC-DLBZAZTESA-N 0 1 385.395 2.024 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000821530130 598068726 /nfs/dbraw/zinc/06/87/26/598068726.db2.gz APPVUTWSTAHUNI-KRWDZBQOSA-N 0 1 389.452 2.023 20 0 GEADMN CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000635530167 598170630 /nfs/dbraw/zinc/17/06/30/598170630.db2.gz RRBJPYCFOSYQOO-QZTJIDSGSA-N 0 1 382.549 2.220 20 0 GEADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000643436606 598174893 /nfs/dbraw/zinc/17/48/93/598174893.db2.gz DEVBRRPXPGSNBX-MRXNPFEDSA-N 0 1 381.432 2.056 20 0 GEADMN CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(C(=O)[O-])c3)c2C1 ZINC000634970412 598190500 /nfs/dbraw/zinc/19/05/00/598190500.db2.gz PZMSXFXSDBCXIA-UHFFFAOYSA-N 0 1 381.432 2.365 20 0 GEADMN CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(C(=O)[O-])c3)c2C1 ZINC000634970412 598190501 /nfs/dbraw/zinc/19/05/01/598190501.db2.gz PZMSXFXSDBCXIA-UHFFFAOYSA-N 0 1 381.432 2.365 20 0 GEADMN O=C(c1cccc2n[nH]cc21)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738277967 598237523 /nfs/dbraw/zinc/23/75/23/598237523.db2.gz ISEJGPVYGJALRO-UHFFFAOYSA-N 0 1 389.419 2.427 20 0 GEADMN COc1ccccc1CCN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737150353 598248010 /nfs/dbraw/zinc/24/80/10/598248010.db2.gz PHLVTSZEJCWFSU-AWEZNQCLSA-N 0 1 380.452 2.377 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735636068 598257315 /nfs/dbraw/zinc/25/73/15/598257315.db2.gz NVNMDKVJOXCQQC-LBPRGKRZSA-N 0 1 376.436 2.352 20 0 GEADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000737801912 598311159 /nfs/dbraw/zinc/31/11/59/598311159.db2.gz NTWNABKYFXIHIF-YFHOEESVSA-N 0 1 390.382 2.121 20 0 GEADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000737801912 598311161 /nfs/dbraw/zinc/31/11/61/598311161.db2.gz NTWNABKYFXIHIF-YFHOEESVSA-N 0 1 390.382 2.121 20 0 GEADMN COC(=O)C[C@H]1CCCCN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736913010 598335041 /nfs/dbraw/zinc/33/50/41/598335041.db2.gz WABDRUNGQYBZJL-MRXNPFEDSA-N 0 1 381.440 2.105 20 0 GEADMN O=S(=O)(Nc1ccc(OC2CCCC2)nc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738342178 598382305 /nfs/dbraw/zinc/38/23/05/598382305.db2.gz NYDHMNKWPXSDLZ-UHFFFAOYSA-N 0 1 386.437 2.384 20 0 GEADMN CC(C)NC(=O)CNCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735888546 598559405 /nfs/dbraw/zinc/55/94/05/598559405.db2.gz MGANOXGJKRAHQY-UHFFFAOYSA-N 0 1 380.452 2.060 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000738145428 598562822 /nfs/dbraw/zinc/56/28/22/598562822.db2.gz LJZULJXTGFOBIA-AAEUAGOBSA-N 0 1 393.398 2.216 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000738145430 598562887 /nfs/dbraw/zinc/56/28/87/598562887.db2.gz LJZULJXTGFOBIA-WCQYABFASA-N 0 1 393.398 2.216 20 0 GEADMN CCN([C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736510933 598621716 /nfs/dbraw/zinc/62/17/16/598621716.db2.gz ABEMIOTWSCQIIN-SMDDNHRTSA-N 0 1 382.390 2.413 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCC[C@@H]2CCCC[C@H]21 ZINC000737980951 598719986 /nfs/dbraw/zinc/71/99/86/598719986.db2.gz HAPXPVRXZIRVCE-WMLDXEAASA-N 0 1 392.463 2.363 20 0 GEADMN Cn1c(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)nnc1-c1ccccc1 ZINC000737591396 598720117 /nfs/dbraw/zinc/72/01/17/598720117.db2.gz JVYYSZOPJPYIQG-UHFFFAOYSA-N 0 1 384.403 2.025 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCC[C@H]2CCCC[C@H]21 ZINC000737980950 598720189 /nfs/dbraw/zinc/72/01/89/598720189.db2.gz HAPXPVRXZIRVCE-RHSMWYFYSA-N 0 1 392.463 2.363 20 0 GEADMN CC(=O)c1ccccc1OCCn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000735504082 598720807 /nfs/dbraw/zinc/72/08/07/598720807.db2.gz MGNHUDGAZMPUCQ-UHFFFAOYSA-N 0 1 375.388 2.463 20 0 GEADMN Cc1noc(C)c1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737535756 598726070 /nfs/dbraw/zinc/72/60/70/598726070.db2.gz BMANVPULWJQDFR-UHFFFAOYSA-N 0 1 396.455 2.211 20 0 GEADMN O=C(C[N@H+](C1CC1)C1CCCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737861539 598757659 /nfs/dbraw/zinc/75/76/59/598757659.db2.gz FLHKKMGCEJSIJN-UHFFFAOYSA-N 0 1 392.467 2.398 20 0 GEADMN O=C(C[N@@H+](C1CC1)C1CCCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737861539 598757660 /nfs/dbraw/zinc/75/76/60/598757660.db2.gz FLHKKMGCEJSIJN-UHFFFAOYSA-N 0 1 392.467 2.398 20 0 GEADMN O=C1[C@H](N2CC[C@@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291559 598764474 /nfs/dbraw/zinc/76/44/74/598764474.db2.gz VHIZWJWMQJDSFO-IEBWSBKVSA-N 0 1 389.463 2.158 20 0 GEADMN COC[C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978786 598820984 /nfs/dbraw/zinc/82/09/84/598820984.db2.gz RPRWRPXLBJAXNL-VXGBXAGGSA-N 0 1 390.513 2.102 20 0 GEADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000736200582 599311557 /nfs/dbraw/zinc/31/15/57/599311557.db2.gz VGNOCRRSBZKYPG-ZDUSSCGKSA-N 0 1 398.492 2.358 20 0 GEADMN CN1CCN(c2ncccc2CNc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736865973 599418403 /nfs/dbraw/zinc/41/84/03/599418403.db2.gz AHKZTZZNCRZGRM-UHFFFAOYSA-N 0 1 384.875 2.279 20 0 GEADMN COc1ccc(CNCC(=O)Nc2cccc3cccnc32)cc1-c1nn[nH]n1 ZINC000821810359 599422350 /nfs/dbraw/zinc/42/23/50/599422350.db2.gz ZJIOLZIXBRTEPD-UHFFFAOYSA-N 0 1 389.419 2.152 20 0 GEADMN O[C@H](CN1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738383966 599430880 /nfs/dbraw/zinc/43/08/80/599430880.db2.gz YNZYRCCTVGWLIO-GOSISDBHSA-N 0 1 384.871 2.376 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821979641 599448944 /nfs/dbraw/zinc/44/89/44/599448944.db2.gz UOVZWQSMXXJVLV-UGSOOPFHSA-N 0 1 382.449 2.149 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)Cc2cccs2)cc1-c1nn[nH]n1 ZINC000821979757 599450365 /nfs/dbraw/zinc/45/03/65/599450365.db2.gz WGJWKYNEDQQVGS-SECBINFHSA-N 0 1 390.494 2.359 20 0 GEADMN Cc1nc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)cs1 ZINC000737477793 599476464 /nfs/dbraw/zinc/47/64/64/599476464.db2.gz OVORQXFDJPOFLR-UHFFFAOYSA-N 0 1 398.452 2.202 20 0 GEADMN COC(=O)C1CC[NH+](CCCNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821655527 599477707 /nfs/dbraw/zinc/47/77/07/599477707.db2.gz NAADRXVEBHNTAY-UHFFFAOYSA-N 0 1 395.467 2.102 20 0 GEADMN COC(=O)C1CC[NH+](CCCNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821655527 599477709 /nfs/dbraw/zinc/47/77/09/599477709.db2.gz NAADRXVEBHNTAY-UHFFFAOYSA-N 0 1 395.467 2.102 20 0 GEADMN C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CCN1C[C@@H](O)c1ccccc1 ZINC000820768609 599530825 /nfs/dbraw/zinc/53/08/25/599530825.db2.gz OTTVOOVISKBOMS-AUUYWEPGSA-N 0 1 382.443 2.250 20 0 GEADMN CCOC(=O)CCN(Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)CC1CC1 ZINC000821330737 599570283 /nfs/dbraw/zinc/57/02/83/599570283.db2.gz PPVXJCSARYAMEK-UHFFFAOYSA-N 0 1 397.439 2.082 20 0 GEADMN Cn1nccc1C1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000737628065 599579359 /nfs/dbraw/zinc/57/93/59/599579359.db2.gz MOADGWDZTMSJCX-UHFFFAOYSA-N 0 1 389.467 2.301 20 0 GEADMN C[NH+](C)C1(CNc2snc(Cl)c2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000821581161 599582120 /nfs/dbraw/zinc/58/21/20/599582120.db2.gz DVAJLSSMATURGT-UHFFFAOYSA-N 0 1 375.889 2.488 20 0 GEADMN C[NH+](C)C1(CNc2snc(Cl)c2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000821581161 599582121 /nfs/dbraw/zinc/58/21/21/599582121.db2.gz DVAJLSSMATURGT-UHFFFAOYSA-N 0 1 375.889 2.488 20 0 GEADMN CC(C)C1CCN(CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000820038104 599641267 /nfs/dbraw/zinc/64/12/67/599641267.db2.gz KSFOOZBVIUNMJE-UHFFFAOYSA-N 0 1 394.483 2.359 20 0 GEADMN COC(=O)[C@H](NCc1nc2ccc(C)cc2[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000821644620 599664721 /nfs/dbraw/zinc/66/47/21/599664721.db2.gz DWVXTDSRLCQROA-QGZVFWFLSA-N 0 1 377.408 2.055 20 0 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/nfs/dbraw/zinc/52/36/70/606523670.db2.gz SAOOFNWJYMJJFH-IBGZPJMESA-N 0 1 392.463 2.139 20 0 GEADMN Cc1cc(Br)ncc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822161044 606637210 /nfs/dbraw/zinc/63/72/10/606637210.db2.gz NULPFWZLASGORY-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN Cc1ccncc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000822379599 606637294 /nfs/dbraw/zinc/63/72/94/606637294.db2.gz QNDNONVIKNNHGS-UHFFFAOYSA-N 0 1 384.343 2.390 20 0 GEADMN O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363378 606657866 /nfs/dbraw/zinc/65/78/66/606657866.db2.gz AHTPRXOXENKLIG-UHFFFAOYSA-N 0 1 384.465 2.137 20 0 GEADMN CN(C)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000821579479 606662248 /nfs/dbraw/zinc/66/22/48/606662248.db2.gz CFTGZAIZRPDHKJ-GFCCVEGCSA-N 0 1 378.408 2.239 20 0 GEADMN O=C(Nc1nnc(-c2ccccn2)s1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823383293 606673120 /nfs/dbraw/zinc/67/31/20/606673120.db2.gz PCINFWDICWKUAX-UHFFFAOYSA-N 0 1 386.347 2.311 20 0 GEADMN COc1ccc(F)c(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c1 ZINC000821828053 606702576 /nfs/dbraw/zinc/70/25/76/606702576.db2.gz ONLKDIRGYWGEDL-UHFFFAOYSA-N 0 1 376.373 2.089 20 0 GEADMN C[C@]1(c2ccccc2)CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820636060 606718319 /nfs/dbraw/zinc/71/83/19/606718319.db2.gz PLBQNSNTXHPHOZ-NRFANRHFSA-N 0 1 376.464 2.147 20 0 GEADMN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000820032367 606741541 /nfs/dbraw/zinc/74/15/41/606741541.db2.gz MSEVZCRPJRIGPI-INIZCTEOSA-N 0 1 378.396 2.180 20 0 GEADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2cccc3cnccc32)c1 ZINC000821589407 606820425 /nfs/dbraw/zinc/82/04/25/606820425.db2.gz MFVGJRFLFUQVPW-UHFFFAOYSA-N 0 1 395.448 2.282 20 0 GEADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000823123179 606825596 /nfs/dbraw/zinc/82/55/96/606825596.db2.gz QUINTOYVVMREPV-GOSISDBHSA-N 0 1 378.436 2.076 20 0 GEADMN O[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681904 606843836 /nfs/dbraw/zinc/84/38/36/606843836.db2.gz LIVMMJBZYNANHS-SFHVURJKSA-N 0 1 384.871 2.376 20 0 GEADMN O=S(=O)(Nc1ccc(F)c(F)c1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823589136 606865499 /nfs/dbraw/zinc/86/54/99/606865499.db2.gz OXEWYLJGJNDLDF-UHFFFAOYSA-N 0 1 391.281 2.363 20 0 GEADMN C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)o1 ZINC000820675395 606886302 /nfs/dbraw/zinc/88/63/02/606886302.db2.gz IQCKPKOXUYQYMS-GZMMTYOYSA-N 0 1 395.391 2.340 20 0 GEADMN CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820914916 606890474 /nfs/dbraw/zinc/89/04/74/606890474.db2.gz RXMZFHMVQAFJTF-ZDUSSCGKSA-N 0 1 393.419 2.445 20 0 GEADMN O=S(=O)(NC1(c2ccc(F)cc2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823566649 606890839 /nfs/dbraw/zinc/89/08/39/606890839.db2.gz JYORQZWMOKVULD-UHFFFAOYSA-N 0 1 395.366 2.252 20 0 GEADMN COc1cc([C@H](C)NCc2ccc(-c3nn[nH]n3)cc2)ccc1S(C)(=O)=O ZINC000821707879 606999779 /nfs/dbraw/zinc/99/97/79/606999779.db2.gz GLGXFFKNFWJFFX-LBPRGKRZSA-N 0 1 387.465 2.130 20 0 GEADMN C[C@@H]1CC[C@@H](CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000820684585 607025622 /nfs/dbraw/zinc/02/56/22/607025622.db2.gz RNFDCJPQEALIPT-CHWSQXEVSA-N 0 1 385.472 2.207 20 0 GEADMN COCCN(CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C)o1 ZINC000821689243 607125412 /nfs/dbraw/zinc/12/54/12/607125412.db2.gz RJDCQQOYLPEDKP-UHFFFAOYSA-N 0 1 384.440 2.245 20 0 GEADMN CCC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000821023120 607212259 /nfs/dbraw/zinc/21/22/59/607212259.db2.gz WYEJFQKNFPDFPP-LBPRGKRZSA-N 0 1 394.361 2.135 20 0 GEADMN C[C@@H](Nc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1)c1ccccc1 ZINC000820456598 607212301 /nfs/dbraw/zinc/21/23/01/607212301.db2.gz VOQVWJZJTRBZCA-CYBMUJFWSA-N 0 1 389.423 2.270 20 0 GEADMN C[C@H](Nc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1)c1ccccc1 ZINC000820456601 607212459 /nfs/dbraw/zinc/21/24/59/607212459.db2.gz VOQVWJZJTRBZCA-ZDUSSCGKSA-N 0 1 389.423 2.270 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(CCCc2ccccc2)c1 ZINC000823136332 607213099 /nfs/dbraw/zinc/21/30/99/607213099.db2.gz WASFOJFZJDXKHR-UHFFFAOYSA-N 0 1 388.435 2.272 20 0 GEADMN CC1(c2ccccc2)CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824843667 607800840 /nfs/dbraw/zinc/80/08/40/607800840.db2.gz JBZVSSYMXJPSAL-GOSISDBHSA-N 0 1 376.464 2.447 20 0 GEADMN c1ccc2c(c1)CC[C@]21CN(CCOc2ccccc2-c2nn[nH]n2)CCO1 ZINC000826523729 607803588 /nfs/dbraw/zinc/80/35/88/607803588.db2.gz WETRMYSPHBHUCK-NRFANRHFSA-N 0 1 377.448 2.419 20 0 GEADMN CC(C)(C)c1ccc(C2(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)CCCC2)cc1 ZINC000824136372 607803616 /nfs/dbraw/zinc/80/36/16/607803616.db2.gz ORYGJDCJKDCUKB-UHFFFAOYSA-N 0 1 394.483 2.341 20 0 GEADMN O=S(=O)(CCNCc1ccc(Cl)s1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485444 607815074 /nfs/dbraw/zinc/81/50/74/607815074.db2.gz QSRQYGYALLWDHE-UHFFFAOYSA-N 0 1 383.886 2.145 20 0 GEADMN COc1ccc(C[C@@](C)([NH3+])CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000826190494 607838235 /nfs/dbraw/zinc/83/82/35/607838235.db2.gz CWWRIQFECXBWOO-HXUWFJFHSA-N 0 1 390.451 2.191 20 0 GEADMN COc1ccc(C[C@@](C)([NH3+])CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000826190494 607838236 /nfs/dbraw/zinc/83/82/36/607838236.db2.gz CWWRIQFECXBWOO-HXUWFJFHSA-N 0 1 390.451 2.191 20 0 GEADMN CCOc1cc(-c2nn[nH]n2)ccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000825610210 607871889 /nfs/dbraw/zinc/87/18/89/607871889.db2.gz YZAORZMNNNJJKI-GOSISDBHSA-N 0 1 395.463 2.063 20 0 GEADMN CC[C@@H]1C[N@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212950 607942345 /nfs/dbraw/zinc/94/23/45/607942345.db2.gz VDBFOSAXARNDKB-HUUCEWRRSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@@H]1C[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212950 607942346 /nfs/dbraw/zinc/94/23/46/607942346.db2.gz VDBFOSAXARNDKB-HUUCEWRRSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@@H]1C[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212950 607942347 /nfs/dbraw/zinc/94/23/47/607942347.db2.gz VDBFOSAXARNDKB-HUUCEWRRSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@@H]1C[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212950 607942348 /nfs/dbraw/zinc/94/23/48/607942348.db2.gz VDBFOSAXARNDKB-HUUCEWRRSA-N 0 1 387.488 2.387 20 0 GEADMN CN1CC[C@H](NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[C@H]1c1ccccc1 ZINC000826029617 608007195 /nfs/dbraw/zinc/00/71/95/608007195.db2.gz UWVJURPLTOWBAL-GOEBONIOSA-N 0 1 383.843 2.090 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077655 608019687 /nfs/dbraw/zinc/01/96/87/608019687.db2.gz PNMVZNGMJAZWGO-AWEZNQCLSA-N 0 1 394.483 2.191 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077655 608019688 /nfs/dbraw/zinc/01/96/88/608019688.db2.gz PNMVZNGMJAZWGO-AWEZNQCLSA-N 0 1 394.483 2.191 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c1-c1nnn[n-]1 ZINC000826077828 608020079 /nfs/dbraw/zinc/02/00/79/608020079.db2.gz XDFOHJGKEGEENH-WCQYABFASA-N 0 1 398.471 2.030 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c1-c1nn[n-]n1 ZINC000826077828 608020080 /nfs/dbraw/zinc/02/00/80/608020080.db2.gz XDFOHJGKEGEENH-WCQYABFASA-N 0 1 398.471 2.030 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(Cc3ccccc3)CCC2)c1-c1nnn[n-]1 ZINC000826073225 608020790 /nfs/dbraw/zinc/02/07/90/608020790.db2.gz KKVRGWOPGRMPAS-UHFFFAOYSA-N 0 1 394.483 2.093 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(Cc3ccccc3)CCC2)c1-c1nn[n-]n1 ZINC000826073225 608020791 /nfs/dbraw/zinc/02/07/91/608020791.db2.gz KKVRGWOPGRMPAS-UHFFFAOYSA-N 0 1 394.483 2.093 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2sccc2C)c1-c1nnn[n-]1 ZINC000826077577 608023057 /nfs/dbraw/zinc/02/30/57/608023057.db2.gz NAHWEHPBLXUQID-UHFFFAOYSA-N 0 1 388.501 2.073 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2sccc2C)c1-c1nn[n-]n1 ZINC000826077577 608023058 /nfs/dbraw/zinc/02/30/58/608023058.db2.gz NAHWEHPBLXUQID-UHFFFAOYSA-N 0 1 388.501 2.073 20 0 GEADMN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000824255177 608033467 /nfs/dbraw/zinc/03/34/67/608033467.db2.gz BMHXIDFOPRZCBI-QGZVFWFLSA-N 0 1 388.541 2.289 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1cccc2ccccc21 ZINC000825934612 608035622 /nfs/dbraw/zinc/03/56/22/608035622.db2.gz OSQPXSUIHDINJY-UHFFFAOYSA-N 0 1 392.467 2.269 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1cccc2ccccc21 ZINC000825934612 608035623 /nfs/dbraw/zinc/03/56/23/608035623.db2.gz OSQPXSUIHDINJY-UHFFFAOYSA-N 0 1 392.467 2.269 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1cccc2ccccc21 ZINC000825934612 608035624 /nfs/dbraw/zinc/03/56/24/608035624.db2.gz OSQPXSUIHDINJY-UHFFFAOYSA-N 0 1 392.467 2.269 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1cccc2ccccc21 ZINC000825934612 608035625 /nfs/dbraw/zinc/03/56/25/608035625.db2.gz OSQPXSUIHDINJY-UHFFFAOYSA-N 0 1 392.467 2.269 20 0 GEADMN COc1ccc2c(c1)CCN([C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000826213288 608037966 /nfs/dbraw/zinc/03/79/66/608037966.db2.gz RQJRPMBRYXCQMW-CQSZACIVSA-N 0 1 392.463 2.303 20 0 GEADMN C[N@H+](CCCSCc1ccccc1)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825923305 608064717 /nfs/dbraw/zinc/06/47/17/608064717.db2.gz GICDPYPXYHGYSU-UHFFFAOYSA-N 0 1 386.529 2.360 20 0 GEADMN C[N@@H+](CCCSCc1ccccc1)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825923305 608064718 /nfs/dbraw/zinc/06/47/18/608064718.db2.gz GICDPYPXYHGYSU-UHFFFAOYSA-N 0 1 386.529 2.360 20 0 GEADMN C[N@H+](CCCSCc1ccccc1)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825923305 608064719 /nfs/dbraw/zinc/06/47/19/608064719.db2.gz GICDPYPXYHGYSU-UHFFFAOYSA-N 0 1 386.529 2.360 20 0 GEADMN C[N@@H+](CCCSCc1ccccc1)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825923305 608064720 /nfs/dbraw/zinc/06/47/20/608064720.db2.gz GICDPYPXYHGYSU-UHFFFAOYSA-N 0 1 386.529 2.360 20 0 GEADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)[nH]c2c1 ZINC000826293689 608074755 /nfs/dbraw/zinc/07/47/55/608074755.db2.gz YKUYHZWYKWOKCG-GFCCVEGCSA-N 0 1 376.424 2.399 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000825739425 608106477 /nfs/dbraw/zinc/10/64/77/608106477.db2.gz DBVMHDTVTQBYET-SNVBAGLBSA-N 0 1 385.432 2.217 20 0 GEADMN CCN(CCCO)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825420055 608159516 /nfs/dbraw/zinc/15/95/16/608159516.db2.gz ZHFFHLBFCLBWOP-LBPRGKRZSA-N 0 1 392.529 2.228 20 0 GEADMN O[C@@H](CN1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000826510910 608221054 /nfs/dbraw/zinc/22/10/54/608221054.db2.gz RAAMXMYUGADVGU-SFHVURJKSA-N 0 1 384.871 2.376 20 0 GEADMN c1cc2nc(N3CCC(CCN4CCOCC4)CC3)ccc2cc1-c1nn[nH]n1 ZINC000826518815 608226277 /nfs/dbraw/zinc/22/62/77/608226277.db2.gz YSJQMVZTOJGWHR-UHFFFAOYSA-N 0 1 393.495 2.354 20 0 GEADMN O=C(COc1cccc(-c2nn[nH]n2)c1)OC[C@@H]1CCCN1Cc1ccco1 ZINC000826418779 608248952 /nfs/dbraw/zinc/24/89/52/608248952.db2.gz WEABHQUEWNYUDA-HNNXBMFYSA-N 0 1 383.408 2.046 20 0 GEADMN c1cc2nccc(N3CCN(c4oc(C5CC5)nc4-c4nn[nH]n4)CC3)c2cn1 ZINC000826519072 608366858 /nfs/dbraw/zinc/36/68/58/608366858.db2.gz IUUFLBMGYUVLRY-UHFFFAOYSA-N 0 1 389.423 2.002 20 0 GEADMN COc1ccccc1[C@H](CNc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCC1 ZINC000826218524 608402069 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C[C@H](NCC(=O)NCCCN(C)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824565087 608460819 /nfs/dbraw/zinc/46/08/19/608460819.db2.gz YUXBBKIMGXCCPU-INIZCTEOSA-N 0 1 393.495 2.160 20 0 GEADMN Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826299748 608464462 /nfs/dbraw/zinc/46/44/62/608464462.db2.gz SXJZSRHHISZZKF-AWEZNQCLSA-N 0 1 393.451 2.482 20 0 GEADMN COc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826192234 608464616 /nfs/dbraw/zinc/46/46/16/608464616.db2.gz FNXNUGJTBYSQCN-CQSZACIVSA-N 0 1 380.452 2.185 20 0 GEADMN COc1ccccc1CN(C)C(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219951 608467042 /nfs/dbraw/zinc/46/70/42/608467042.db2.gz XAADOQFRAWYRJT-AWEZNQCLSA-N 0 1 380.452 2.185 20 0 GEADMN CCOC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825564811 608467945 /nfs/dbraw/zinc/46/79/45/608467945.db2.gz GGTNUKZIOVYLLG-ZDUSSCGKSA-N 0 1 394.435 2.333 20 0 GEADMN c1cnc(N2CCOCC2)c(CN[C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826525744 608500995 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Fc1ccc(OCC[NH+]2CCC(Nc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000822782796 607328943 /nfs/dbraw/zinc/32/89/43/607328943.db2.gz HFAWBUFKHFWOLK-UHFFFAOYSA-N 0 1 383.431 2.356 20 0 GEADMN COc1cccc([C@H]2[C@H](NC(=O)N3CCC(C(=O)[O-])CC3)CC[N@H+]2C2CC2)c1 ZINC000820865745 598216002 /nfs/dbraw/zinc/21/60/02/598216002.db2.gz WFFFRBZASKLCDV-MOPGFXCFSA-N 0 1 387.480 2.479 20 0 GEADMN Cc1ccc([C@@H](CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000737320949 598231896 /nfs/dbraw/zinc/23/18/96/598231896.db2.gz RTEYXZVFXYWBJG-QGZVFWFLSA-N 0 1 380.452 2.264 20 0 GEADMN Cc1ccc([C@H](CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000737320948 598231942 /nfs/dbraw/zinc/23/19/42/598231942.db2.gz RTEYXZVFXYWBJG-KRWDZBQOSA-N 0 1 380.452 2.264 20 0 GEADMN CCC(CC)CN(CC)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736338605 598232950 /nfs/dbraw/zinc/23/29/50/598232950.db2.gz YRYDJEBZVQKAGL-HXUWFJFHSA-N 0 1 399.499 2.349 20 0 GEADMN CC1CCC(N(C)CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736239097 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/nfs/dbraw/zinc/45/73/59/598457359.db2.gz KFAUCRGVPKODBZ-UHFFFAOYSA-N 0 1 397.870 2.310 20 0 GEADMN CC(C)C[C@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735761928 598495799 /nfs/dbraw/zinc/49/57/99/598495799.db2.gz RYBLTYKQQYSJOT-ZDUSSCGKSA-N 0 1 387.488 2.453 20 0 GEADMN CC(C)(C)c1nc(-c2nn[nH]n2)c(NNC(=S)NCCc2cccs2)o1 ZINC000735657622 598496368 /nfs/dbraw/zinc/49/63/68/598496368.db2.gz SJKSROAYRRZGQK-UHFFFAOYSA-N 0 1 392.514 2.247 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1-c1nn[n-]n1 ZINC000737188787 598503191 /nfs/dbraw/zinc/50/31/91/598503191.db2.gz GPLFLXVHOKMVKY-JTQLQIEISA-N 0 1 387.513 2.074 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1-c1nn[n-]n1 ZINC000737188787 598503193 /nfs/dbraw/zinc/50/31/93/598503193.db2.gz GPLFLXVHOKMVKY-JTQLQIEISA-N 0 1 387.513 2.074 20 0 GEADMN C[C@@](O)(CN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1 ZINC000736138903 598524501 /nfs/dbraw/zinc/52/45/01/598524501.db2.gz SCPBDNGKYXNJFN-HXUWFJFHSA-N 0 1 382.443 2.036 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nnn[n-]1 ZINC000737190276 598536140 /nfs/dbraw/zinc/53/61/40/598536140.db2.gz WZWHDEGFLLVPKQ-NSHDSACASA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1-c1nnn[n-]1 ZINC000737190276 598536141 /nfs/dbraw/zinc/53/61/41/598536141.db2.gz WZWHDEGFLLVPKQ-NSHDSACASA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000737190276 598536144 /nfs/dbraw/zinc/53/61/44/598536144.db2.gz WZWHDEGFLLVPKQ-NSHDSACASA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000737190276 598536145 /nfs/dbraw/zinc/53/61/45/598536145.db2.gz WZWHDEGFLLVPKQ-NSHDSACASA-N 0 1 399.524 2.075 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc1-c1nn[nH]n1 ZINC000737186058 598618977 /nfs/dbraw/zinc/61/89/77/598618977.db2.gz FLGPGBVEOFKBOS-ZDUSSCGKSA-N 0 1 398.448 2.170 20 0 GEADMN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCN2CCCC[C@H]2C1 ZINC000737833222 598655583 /nfs/dbraw/zinc/65/55/83/598655583.db2.gz QPCUBMJLGJWNFW-KRWDZBQOSA-N 0 1 384.484 2.113 20 0 GEADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)Nc1ccccc1Oc1ccccc1 ZINC000737986734 598677615 /nfs/dbraw/zinc/67/76/15/598677615.db2.gz MYWDNWTZXPEYCM-UHFFFAOYSA-N 0 1 388.387 2.459 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000737189102 598697480 /nfs/dbraw/zinc/69/74/80/598697480.db2.gz IKJMKSVOIDBIQE-CYBMUJFWSA-N 0 1 399.524 2.170 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000737189102 598697482 /nfs/dbraw/zinc/69/74/82/598697482.db2.gz IKJMKSVOIDBIQE-CYBMUJFWSA-N 0 1 399.524 2.170 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1cc(F)cc(F)c1 ZINC000737982823 598719795 /nfs/dbraw/zinc/71/97/95/598719795.db2.gz RLLBTWNXRDVOBD-UHFFFAOYSA-N 0 1 382.330 2.099 20 0 GEADMN CC(=O)c1c(F)cccc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735496600 598744373 /nfs/dbraw/zinc/74/43/73/598744373.db2.gz CFKGQZLLLYJSLV-UHFFFAOYSA-N 0 1 397.414 2.400 20 0 GEADMN CCCc1cc(C(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)n[nH]1 ZINC000736496561 598754607 /nfs/dbraw/zinc/75/46/07/598754607.db2.gz GJIQHFWUBTZPKZ-UHFFFAOYSA-N 0 1 381.440 2.226 20 0 GEADMN CCc1cc(CNC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)n[nH]1 ZINC000736676693 598768817 /nfs/dbraw/zinc/76/88/17/598768817.db2.gz SREMAIRWDFLAEZ-UHFFFAOYSA-N 0 1 393.407 2.254 20 0 GEADMN CC(=O)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735496678 598804738 /nfs/dbraw/zinc/80/47/38/598804738.db2.gz GKIISFRSAPKHND-UHFFFAOYSA-N 0 1 392.463 2.273 20 0 GEADMN C[C@@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000820404395 599372739 /nfs/dbraw/zinc/37/27/39/599372739.db2.gz UNCLWUGYWMZTMW-HUUCEWRRSA-N 0 1 376.464 2.491 20 0 GEADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(Cl)c1 ZINC000820274317 599381128 /nfs/dbraw/zinc/38/11/28/599381128.db2.gz HCBWFYRBZJCEFH-BDJLRTHQSA-N 0 1 386.843 2.104 20 0 GEADMN Clc1ccc(-c2nn[nH]n2)c(N2CCC(CCN3CCOCC3)CC2)c1 ZINC000737571138 599420854 /nfs/dbraw/zinc/42/08/54/599420854.db2.gz SZEKNKDLJLZBBK-UHFFFAOYSA-N 0 1 376.892 2.459 20 0 GEADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737742919 599478871 /nfs/dbraw/zinc/47/88/71/599478871.db2.gz RNYBGLWBAKKWHK-KDOFPFPSSA-N 0 1 380.427 2.097 20 0 GEADMN C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1cccs1 ZINC000735525103 599563600 /nfs/dbraw/zinc/56/36/00/599563600.db2.gz JJZLSTXGYMLZFY-LLVKDONJSA-N 0 1 399.480 2.246 20 0 GEADMN C[C@](CO)(NCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)C1CCCCC1 ZINC000820280786 599577775 /nfs/dbraw/zinc/57/77/75/599577775.db2.gz OPGALUCLTIWRJD-LJQANCHMSA-N 0 1 383.456 2.338 20 0 GEADMN c1cc(-c2nnc(CN3CCCC4(CCOCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823738600 599579234 /nfs/dbraw/zinc/57/92/34/599579234.db2.gz WAGDBDHIYJGJSY-UHFFFAOYSA-N 0 1 381.440 2.309 20 0 GEADMN C[NH+](C)C1(CNc2c3ccccc3nnc2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000821581464 599582066 /nfs/dbraw/zinc/58/20/66/599582066.db2.gz LYLNPZPXJPGWJC-UHFFFAOYSA-N 0 1 386.463 2.321 20 0 GEADMN C[NH+](C)C1(CNc2c3ccccc3nnc2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000821581464 599582068 /nfs/dbraw/zinc/58/20/68/599582068.db2.gz LYLNPZPXJPGWJC-UHFFFAOYSA-N 0 1 386.463 2.321 20 0 GEADMN Cc1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3-c3nn[nH]n3)[nH]c2c1 ZINC000822271134 599655459 /nfs/dbraw/zinc/65/54/59/599655459.db2.gz NOLOWEGQDZGNJW-LBPRGKRZSA-N 0 1 377.408 2.135 20 0 GEADMN CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820971790 599690920 /nfs/dbraw/zinc/69/09/20/599690920.db2.gz GBRCQXCADOPSHA-ZIAGYGMSSA-N 0 1 380.456 2.111 20 0 GEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820971790 599690921 /nfs/dbraw/zinc/69/09/21/599690921.db2.gz GBRCQXCADOPSHA-ZIAGYGMSSA-N 0 1 380.456 2.111 20 0 GEADMN CCN(C(=O)CCSc1nnc(C)[nH]1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821154402 599692181 /nfs/dbraw/zinc/69/21/81/599692181.db2.gz NEKGKAXCYJOWKQ-NSHDSACASA-N 0 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Cc1ccc(C[N@H+]2CCCN(C(=O)CN[C@@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000738598047 599781980 /nfs/dbraw/zinc/78/19/80/599781980.db2.gz OSVZRYLVHCOZOM-JOCHJYFZSA-N 0 1 395.503 2.445 20 0 GEADMN CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000546254653 599785466 /nfs/dbraw/zinc/78/54/66/599785466.db2.gz XRTYJDVGRGJVOQ-OAHLLOKOSA-N 0 1 384.498 2.083 20 0 GEADMN CN(CC[N@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000737441534 599793409 /nfs/dbraw/zinc/79/34/09/599793409.db2.gz QCHPNQHXELIMOL-HXUWFJFHSA-N 0 1 381.476 2.093 20 0 GEADMN CN(CC[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000737441534 599793411 /nfs/dbraw/zinc/79/34/11/599793411.db2.gz QCHPNQHXELIMOL-HXUWFJFHSA-N 0 1 381.476 2.093 20 0 GEADMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000263579636 599794869 /nfs/dbraw/zinc/79/48/69/599794869.db2.gz UZNAQPVYSDCHLS-KRWDZBQOSA-N 0 1 392.452 2.467 20 0 GEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 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COc1cc(C(=O)N2CC[NH+](C[C@H]3CCCN(C(=O)[O-])C3)CC2)ccc1C ZINC000739851862 602703168 /nfs/dbraw/zinc/70/31/68/602703168.db2.gz PLJHNHRFOAZAME-MRXNPFEDSA-N 0 1 375.469 2.151 20 0 GEADMN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739683643 602703917 /nfs/dbraw/zinc/70/39/17/602703917.db2.gz AUMNWSCZQVOLLO-HNNXBMFYSA-N 0 1 384.498 2.181 20 0 GEADMN O=C([O-])N1CC[C@H](CCNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000740431099 602719800 /nfs/dbraw/zinc/71/98/00/602719800.db2.gz UNFORNVHRHBJPA-KRWDZBQOSA-N 0 1 390.484 2.073 20 0 GEADMN C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000739151547 602748188 /nfs/dbraw/zinc/74/81/88/602748188.db2.gz HKBBJBIEEZXXKA-LSDHHAIUSA-N 0 1 380.514 2.354 20 0 GEADMN C[C@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739167345 602760926 /nfs/dbraw/zinc/76/09/26/602760926.db2.gz BFOZXTPESNICPP-FZMZJTMJSA-N 0 1 389.374 2.179 20 0 GEADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739167345 602760928 /nfs/dbraw/zinc/76/09/28/602760928.db2.gz BFOZXTPESNICPP-FZMZJTMJSA-N 0 1 389.374 2.179 20 0 GEADMN C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC[C@@H]1NC(=O)[O-] ZINC000739176673 602762403 /nfs/dbraw/zinc/76/24/03/602762403.db2.gz UPVTWISFCTXENO-HZMBPMFUSA-N 0 1 391.365 2.439 20 0 GEADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC[C@@H]1NC(=O)[O-] ZINC000739176673 602762404 /nfs/dbraw/zinc/76/24/04/602762404.db2.gz UPVTWISFCTXENO-HZMBPMFUSA-N 0 1 391.365 2.439 20 0 GEADMN Cc1cc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)n(-c2ccc(C)cc2)n1 ZINC000740100209 602766501 /nfs/dbraw/zinc/76/65/01/602766501.db2.gz PPLCJXLEFCXNNH-YOEHRIQHSA-N 0 1 385.468 2.406 20 0 GEADMN Cc1cc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)n(-c2ccc(C)cc2)n1 ZINC000740100209 602766503 /nfs/dbraw/zinc/76/65/03/602766503.db2.gz PPLCJXLEFCXNNH-YOEHRIQHSA-N 0 1 385.468 2.406 20 0 GEADMN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000829182744 602771151 /nfs/dbraw/zinc/77/11/51/602771151.db2.gz QYNBJQOESZHGLQ-WDEREUQCSA-N 0 1 383.832 2.032 20 0 GEADMN C[C@@H]1C[N@@H+](CCN2c3cccc4cccc(c34)S2(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739184245 602771389 /nfs/dbraw/zinc/77/13/89/602771389.db2.gz WJQALKLWVFEIEC-HIFRSBDPSA-N 0 1 389.477 2.327 20 0 GEADMN CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738877965 602785339 /nfs/dbraw/zinc/78/53/39/602785339.db2.gz WCWNLOJDHZOQRP-QAPCUYQASA-N 0 1 377.485 2.283 20 0 GEADMN CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738877965 602785344 /nfs/dbraw/zinc/78/53/44/602785344.db2.gz WCWNLOJDHZOQRP-QAPCUYQASA-N 0 1 377.485 2.283 20 0 GEADMN CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000738863807 602789380 /nfs/dbraw/zinc/78/93/80/602789380.db2.gz QNIGBDBPIGZODX-CRAIPNDOSA-N 0 1 377.485 2.206 20 0 GEADMN CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000738863807 602789382 /nfs/dbraw/zinc/78/93/82/602789382.db2.gz QNIGBDBPIGZODX-CRAIPNDOSA-N 0 1 377.485 2.206 20 0 GEADMN CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC(=O)[O-] ZINC000738782508 602799388 /nfs/dbraw/zinc/79/93/88/602799388.db2.gz ASYZQSJCBAMUSC-ZWKOTPCHSA-N 0 1 376.501 2.490 20 0 GEADMN C[C@@H](CC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)NC(=O)[O-] ZINC000824620997 602808046 /nfs/dbraw/zinc/80/80/46/602808046.db2.gz CJBHYASUBNWLKI-AWEZNQCLSA-N 0 1 386.452 2.468 20 0 GEADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CCC(C)(C)NC(=O)[O-])c2)CCO1 ZINC000739186943 602827256 /nfs/dbraw/zinc/82/72/56/602827256.db2.gz GSEVZDCOPWPYDQ-OAHLLOKOSA-N 0 1 377.485 2.350 20 0 GEADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CCC(C)(C)NC(=O)[O-])c2)CCO1 ZINC000739186943 602827259 /nfs/dbraw/zinc/82/72/59/602827259.db2.gz GSEVZDCOPWPYDQ-OAHLLOKOSA-N 0 1 377.485 2.350 20 0 GEADMN Cc1cccnc1[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)C(C)C ZINC000740193543 602831778 /nfs/dbraw/zinc/83/17/78/602831778.db2.gz NUENGUVYYBJFEC-INIZCTEOSA-N 0 1 377.489 2.072 20 0 GEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3COCCN3C(=O)[O-])cc2)C1 ZINC000739076917 602848422 /nfs/dbraw/zinc/84/84/22/602848422.db2.gz CWVDUVBOYPDRTB-JTDSTZFVSA-N 0 1 389.496 2.160 20 0 GEADMN CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000739542506 602872679 /nfs/dbraw/zinc/87/26/79/602872679.db2.gz SDGTXMJUWHNFMV-INIZCTEOSA-N 0 1 390.528 2.366 20 0 GEADMN CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000739542506 602872681 /nfs/dbraw/zinc/87/26/81/602872681.db2.gz SDGTXMJUWHNFMV-INIZCTEOSA-N 0 1 390.528 2.366 20 0 GEADMN Cc1ccc(OCc2nc(C[NH2+]CCN3CCN(C(=O)[O-])CC3)cs2)cc1 ZINC000740143748 602876397 /nfs/dbraw/zinc/87/63/97/602876397.db2.gz HAERJVFYTIBEBI-UHFFFAOYSA-N 0 1 390.509 2.416 20 0 GEADMN C[C@@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)[N@@H+]1CCc2sccc2C1 ZINC000738915897 602886898 /nfs/dbraw/zinc/88/68/98/602886898.db2.gz JHSNFPATAFCDLL-ZFWWWQNUSA-N 0 1 380.514 2.326 20 0 GEADMN C[C@@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)[N@H+]1CCc2sccc2C1 ZINC000738915897 602886900 /nfs/dbraw/zinc/88/69/00/602886900.db2.gz JHSNFPATAFCDLL-ZFWWWQNUSA-N 0 1 380.514 2.326 20 0 GEADMN COCC[N@@H+]1CCN(C(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)C[C@H]1C ZINC000828991590 602957387 /nfs/dbraw/zinc/95/73/87/602957387.db2.gz LREJWLPDQNKCFT-LLVKDONJSA-N 0 1 385.848 2.231 20 0 GEADMN COCC[N@H+]1CCN(C(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)C[C@H]1C ZINC000828991590 602957391 /nfs/dbraw/zinc/95/73/91/602957391.db2.gz LREJWLPDQNKCFT-LLVKDONJSA-N 0 1 385.848 2.231 20 0 GEADMN C[C@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000739118034 602986620 /nfs/dbraw/zinc/98/66/20/602986620.db2.gz BWGDEWQJOPADGH-WMZOPIPTSA-N 0 1 389.496 2.223 20 0 GEADMN C[C@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000739118034 602986625 /nfs/dbraw/zinc/98/66/25/602986625.db2.gz BWGDEWQJOPADGH-WMZOPIPTSA-N 0 1 389.496 2.223 20 0 GEADMN CC[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)CC[N@H+]1CCOC ZINC000739279867 602997019 /nfs/dbraw/zinc/99/70/19/602997019.db2.gz OXFFTVDXFQPOGN-AWEZNQCLSA-N 0 1 380.445 2.360 20 0 GEADMN COc1ccccc1[C@H](CNC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C)NC(=O)[O-] ZINC000739958273 603000631 /nfs/dbraw/zinc/00/06/31/603000631.db2.gz LCCIDMXPXACCCD-UXLLHSPISA-N 0 1 390.484 2.272 20 0 GEADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CC(C)(C)NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739185218 603020080 /nfs/dbraw/zinc/02/00/80/603020080.db2.gz OFOPOJJXPRLLFK-GASCZTMLSA-N 0 1 377.485 2.348 20 0 GEADMN CC(C)[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000739175254 603033162 /nfs/dbraw/zinc/03/31/62/603033162.db2.gz KCKAPTBJHPZRRT-MVJTYMMSSA-N 0 1 377.485 2.245 20 0 GEADMN CC(C)[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000739175254 603033165 /nfs/dbraw/zinc/03/31/65/603033165.db2.gz KCKAPTBJHPZRRT-MVJTYMMSSA-N 0 1 377.485 2.245 20 0 GEADMN C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)[O-])c1 ZINC000739729003 603047944 /nfs/dbraw/zinc/04/79/44/603047944.db2.gz ULUXYQORFDASJT-HZPDHXFCSA-N 0 1 375.425 2.019 20 0 GEADMN C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)[O-])c1 ZINC000739729003 603047949 /nfs/dbraw/zinc/04/79/49/603047949.db2.gz ULUXYQORFDASJT-HZPDHXFCSA-N 0 1 375.425 2.019 20 0 GEADMN O=C([O-])NC1CCC(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000740555298 603138017 /nfs/dbraw/zinc/13/80/17/603138017.db2.gz KIWXCABPZZUEKL-UHFFFAOYSA-N 0 1 390.484 2.262 20 0 GEADMN C[C@@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)[N@H+]1CCc2ccccc2C1 ZINC000738917264 603166586 /nfs/dbraw/zinc/16/65/86/603166586.db2.gz VRVWPOVZUHOIOL-INIZCTEOSA-N 0 1 393.487 2.355 20 0 GEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1 ZINC000739061117 603170677 /nfs/dbraw/zinc/17/06/77/603170677.db2.gz YMRLHLDDNAOAEC-FUHWJXTLSA-N 0 1 388.512 2.012 20 0 GEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1 ZINC000739061150 603170915 /nfs/dbraw/zinc/17/09/15/603170915.db2.gz YMRLHLDDNAOAEC-SJLPKXTDSA-N 0 1 388.512 2.012 20 0 GEADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738912164 603213723 /nfs/dbraw/zinc/21/37/23/603213723.db2.gz NWLSXLSGYRQVKT-KURKYZTESA-N 0 1 388.512 2.140 20 0 GEADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824257692 603250672 /nfs/dbraw/zinc/25/06/72/603250672.db2.gz UBFZPPYAUGHVAN-CGTJXYLNSA-N 0 1 377.485 2.104 20 0 GEADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cn1 ZINC000739378813 603260645 /nfs/dbraw/zinc/26/06/45/603260645.db2.gz YFLPVKNEBMJJQE-MSOLQXFVSA-N 0 1 391.516 2.154 20 0 GEADMN CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cn1 ZINC000739378813 603260646 /nfs/dbraw/zinc/26/06/46/603260646.db2.gz YFLPVKNEBMJJQE-MSOLQXFVSA-N 0 1 391.516 2.154 20 0 GEADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000826042579 603266336 /nfs/dbraw/zinc/26/63/36/603266336.db2.gz QDKAFHZDCMDWSQ-INMHGKMJSA-N 0 1 377.485 2.042 20 0 GEADMN 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O=C([O-])N[C@H](CC(F)F)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000834129833 606005530 /nfs/dbraw/zinc/00/55/30/606005530.db2.gz DXXHMSVGDXHNOK-OAHLLOKOSA-N 0 1 392.406 2.170 20 0 GEADMN C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000833828591 606014199 /nfs/dbraw/zinc/01/41/99/606014199.db2.gz HYZMLNNYUSYLST-GHTZIAJQSA-N 0 1 389.496 2.352 20 0 GEADMN CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000833870002 606019317 /nfs/dbraw/zinc/01/93/17/606019317.db2.gz DUJOOXRZQWIMGJ-UHFFFAOYSA-N 0 1 378.473 2.276 20 0 GEADMN O=C(CCc1nc[nH]n1)Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822987239 606051089 /nfs/dbraw/zinc/05/10/89/606051089.db2.gz UIHOPFLTTSISLA-UHFFFAOYSA-N 0 1 390.407 2.135 20 0 GEADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678780 606189542 /nfs/dbraw/zinc/18/95/42/606189542.db2.gz YJMOIHIIHKGLMU-FRFSOERESA-N 0 1 375.498 2.293 20 0 GEADMN C[C@@H](NCc1cc(-c2nn[nH]n2)cs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000820427503 606215207 /nfs/dbraw/zinc/21/52/07/606215207.db2.gz SALVPGQIZVTSIU-LLVKDONJSA-N 0 1 392.510 2.029 20 0 GEADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000822203179 606227196 /nfs/dbraw/zinc/22/71/96/606227196.db2.gz HZSPUHBPMDZGTG-SUMWQHHRSA-N 0 1 397.458 2.019 20 0 GEADMN COc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821777602 606304074 /nfs/dbraw/zinc/30/40/74/606304074.db2.gz JJHMDMRVAVZFRO-XHDPSFHLSA-N 0 1 384.465 2.393 20 0 GEADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823266306 606351592 /nfs/dbraw/zinc/35/15/92/606351592.db2.gz RRDWOEKXFXNSFB-UHFFFAOYSA-N 0 1 397.349 2.252 20 0 GEADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000820529739 606365934 /nfs/dbraw/zinc/36/59/34/606365934.db2.gz RIWKJMGHOUNUHW-AWEZNQCLSA-N 0 1 398.442 2.021 20 0 GEADMN CC(C)N1CCC[C@H](N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000820132465 606374999 /nfs/dbraw/zinc/37/49/99/606374999.db2.gz KZSXVBKREDESRR-SFHVURJKSA-N 0 1 384.484 2.109 20 0 GEADMN CC(C)OCCS(=O)(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820146935 606395224 /nfs/dbraw/zinc/39/52/24/606395224.db2.gz VAOOGFRCGDHMME-UHFFFAOYSA-N 0 1 379.364 2.052 20 0 GEADMN O=C1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000823521128 606424124 /nfs/dbraw/zinc/42/41/24/606424124.db2.gz QKCQPIDTPGSHBV-CWRNSKLLSA-N 0 1 380.477 2.175 20 0 GEADMN CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)C1 ZINC000821697759 606519271 /nfs/dbraw/zinc/51/92/71/606519271.db2.gz PYZVBCCEHMKDEV-RYUDHWBXSA-N 0 1 390.513 2.102 20 0 GEADMN CO[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)C1 ZINC000821697759 606519272 /nfs/dbraw/zinc/51/92/72/606519272.db2.gz PYZVBCCEHMKDEV-RYUDHWBXSA-N 0 1 390.513 2.102 20 0 GEADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000822851214 606524568 /nfs/dbraw/zinc/52/45/68/606524568.db2.gz VRHGLCRJRQHBQS-SFHVURJKSA-N 0 1 380.427 2.412 20 0 GEADMN CC(C)S(=O)(=O)Cc1cccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1 ZINC000445974502 649967443 /nfs/dbraw/zinc/96/74/43/649967443.db2.gz MPIXKMILKOOLKS-GFCCVEGCSA-N 0 1 378.372 2.387 20 0 GEADMN CN(CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccc([S@](C)=O)cc1 ZINC000821598194 606623630 /nfs/dbraw/zinc/62/36/30/606623630.db2.gz USABABWCBQMIHS-NDEPHWFRSA-N 0 1 398.492 2.065 20 0 GEADMN CN1CCN(c2ccc(NC(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000821628168 606663149 /nfs/dbraw/zinc/66/31/49/606663149.db2.gz BTORDIDAPBNAIL-UHFFFAOYSA-N 0 1 399.405 2.149 20 0 GEADMN O=C(CN1CC[C@@H](c2ccc(F)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822993730 606714957 /nfs/dbraw/zinc/71/49/57/606714957.db2.gz XIBCMFUDFVAUTA-QGZVFWFLSA-N 0 1 380.427 2.112 20 0 GEADMN C[C@]1(c2ccccc2)CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820633372 606718304 /nfs/dbraw/zinc/71/83/04/606718304.db2.gz AUVWQFISPDKIIU-NRFANRHFSA-N 0 1 376.464 2.147 20 0 GEADMN O=C(c1cc[nH]c(=O)c1Br)N1CCC(CCN2CCOCC2)CC1 ZINC000446025071 649968000 /nfs/dbraw/zinc/96/80/00/649968000.db2.gz ZQMQXOOMHMRSIP-UHFFFAOYSA-N 0 1 398.301 2.124 20 0 GEADMN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926641 606742483 /nfs/dbraw/zinc/74/24/83/606742483.db2.gz UREZXKFFIOXIEW-HKUYNNGSSA-N 0 1 382.468 2.229 20 0 GEADMN COCCOc1ccccc1N1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821693780 606761669 /nfs/dbraw/zinc/76/16/69/606761669.db2.gz NISGEPGEBQJCSQ-UHFFFAOYSA-N 0 1 394.479 2.214 20 0 GEADMN CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC000821448729 606818220 /nfs/dbraw/zinc/81/82/20/606818220.db2.gz NNMNDEJIEONGCG-UWVGGRQHSA-N 0 1 394.526 2.435 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000822535334 606819163 /nfs/dbraw/zinc/81/91/63/606819163.db2.gz NRANVDXAYKRPHQ-GXTWGEPZSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000822535334 606819165 /nfs/dbraw/zinc/81/91/65/606819165.db2.gz NRANVDXAYKRPHQ-GXTWGEPZSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000822535334 606819167 /nfs/dbraw/zinc/81/91/67/606819167.db2.gz NRANVDXAYKRPHQ-GXTWGEPZSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000822535334 606819169 /nfs/dbraw/zinc/81/91/69/606819169.db2.gz NRANVDXAYKRPHQ-GXTWGEPZSA-N 0 1 383.456 2.017 20 0 GEADMN COc1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1C ZINC000821845466 606820963 /nfs/dbraw/zinc/82/09/63/606820963.db2.gz GTKSBRKVLWAWFE-UHFFFAOYSA-N 0 1 388.453 2.051 20 0 GEADMN CC(C)(C)C[C@@H](NC(=O)Cn1cccc(-c2nn[nH]n2)c1=O)c1ccc(F)cc1 ZINC000819907767 606823087 /nfs/dbraw/zinc/82/30/87/606823087.db2.gz RQUAJAJQOQYGHE-MRXNPFEDSA-N 0 1 398.442 2.461 20 0 GEADMN Cc1nc2sccn2c1CN(C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822467579 606845601 /nfs/dbraw/zinc/84/56/01/606845601.db2.gz PKHDQJFUTVRLKT-UHFFFAOYSA-N 0 1 396.480 2.345 20 0 GEADMN O=C(CCN1CCN(c2cccs2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969150 606882100 /nfs/dbraw/zinc/88/21/00/606882100.db2.gz IGNXGTFKNOYVFY-UHFFFAOYSA-N 0 1 383.481 2.079 20 0 GEADMN O=S(=O)(N[C@@H]1CCc2c1cccc2F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572544 606888822 /nfs/dbraw/zinc/88/88/22/606888822.db2.gz ISBRAPDSYVSCPQ-CQSZACIVSA-N 0 1 395.366 2.250 20 0 GEADMN FC(F)(F)c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000822723797 606913637 /nfs/dbraw/zinc/91/36/37/606913637.db2.gz OPBYIOPGNYGMOD-LBPRGKRZSA-N 0 1 382.390 2.044 20 0 GEADMN CCc1nnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821529118 606917860 /nfs/dbraw/zinc/91/78/60/606917860.db2.gz SXPWFTKXORBTSB-HNNXBMFYSA-N 0 1 378.484 2.468 20 0 GEADMN CCc1nnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821529118 606917861 /nfs/dbraw/zinc/91/78/61/606917861.db2.gz SXPWFTKXORBTSB-HNNXBMFYSA-N 0 1 378.484 2.468 20 0 GEADMN CCc1nnc(NC2CCN(Cc3ccccn3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528265 606922812 /nfs/dbraw/zinc/92/28/12/606922812.db2.gz MIEQQAPYOOTWDY-UHFFFAOYSA-N 0 1 393.499 2.253 20 0 GEADMN Cc1ccc(N(C)C2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)nn1 ZINC000822241040 606970040 /nfs/dbraw/zinc/97/00/40/606970040.db2.gz JKQLHRSMABRKPS-UHFFFAOYSA-N 0 1 382.447 2.205 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000822153829 606980942 /nfs/dbraw/zinc/98/09/42/606980942.db2.gz PTYNJQPIFHJVNQ-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1-c1nn[nH]n1 ZINC000821979793 607020498 /nfs/dbraw/zinc/02/04/98/607020498.db2.gz XLZMTQNCNDJGPA-GFCCVEGCSA-N 0 1 392.485 2.014 20 0 GEADMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)n1 ZINC000822370487 607034965 /nfs/dbraw/zinc/03/49/65/607034965.db2.gz ZDOXNZLDCFBDFJ-UHFFFAOYSA-N 0 1 395.448 2.470 20 0 GEADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000823065991 607042712 /nfs/dbraw/zinc/04/27/12/607042712.db2.gz HQRDHFLVQDLUTO-UHFFFAOYSA-N 0 1 386.525 2.436 20 0 GEADMN Cc1ccc(N(C)C2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)nn1 ZINC000822241263 607064913 /nfs/dbraw/zinc/06/49/13/607064913.db2.gz PUYZAPOBXFFTEB-UHFFFAOYSA-N 0 1 382.447 2.205 20 0 GEADMN CCc1nsc(N2CCCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)n1 ZINC000821558884 607069726 /nfs/dbraw/zinc/06/97/26/607069726.db2.gz JASFRQKPMFXAOI-UHFFFAOYSA-N 0 1 388.476 2.132 20 0 GEADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820958667 607107102 /nfs/dbraw/zinc/10/71/02/607107102.db2.gz WXQWGPOKYWYXQN-IRXDYDNUSA-N 0 1 386.500 2.008 20 0 GEADMN COc1cccc2c1CC[C@H]2NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821877289 607142654 /nfs/dbraw/zinc/14/26/54/607142654.db2.gz GNMJDSSBJHCWFH-CYBMUJFWSA-N 0 1 398.448 2.115 20 0 GEADMN CCC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000821023307 607211964 /nfs/dbraw/zinc/21/19/64/607211964.db2.gz XLQCMTASZZLXID-LBPRGKRZSA-N 0 1 395.254 2.423 20 0 GEADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000822459499 607241568 /nfs/dbraw/zinc/24/15/68/607241568.db2.gz QHYPTUSKIVRMAI-UHFFFAOYSA-N 0 1 398.814 2.066 20 0 GEADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc[nH]c(=O)c1Br ZINC000446099530 649971791 /nfs/dbraw/zinc/97/17/91/649971791.db2.gz MQHYDWKEKOCSCL-UHFFFAOYSA-N 0 1 391.269 2.339 20 0 GEADMN O=C(CN(Cc1ccccc1)[C@@H](CO)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826409979 607858419 /nfs/dbraw/zinc/85/84/19/607858419.db2.gz WTXYWQUYOUAURR-IBGZPJMESA-N 0 1 392.463 2.078 20 0 GEADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1Cl)CN1CCc2ccccc2C1 ZINC000826504087 607873006 /nfs/dbraw/zinc/87/30/06/607873006.db2.gz MTHWSPTXOZMJDX-MRXNPFEDSA-N 0 1 385.855 2.318 20 0 GEADMN CCN(Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825434871 607925043 /nfs/dbraw/zinc/92/50/43/607925043.db2.gz IFDWIOWOSUBMST-UHFFFAOYSA-N 0 1 376.436 2.447 20 0 GEADMN CCN(Cc1ccc(OC)c(-c2nn[nH]n2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825434780 607925361 /nfs/dbraw/zinc/92/53/61/607925361.db2.gz DUHHOJRAASJVJI-UHFFFAOYSA-N 0 1 388.472 2.317 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)c1-c1nnn[n-]1 ZINC000826073569 608020165 /nfs/dbraw/zinc/02/01/65/608020165.db2.gz XQUUUESCNWBLAX-UHFFFAOYSA-N 0 1 394.483 2.029 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)c1-c1nn[n-]n1 ZINC000826073569 608020166 /nfs/dbraw/zinc/02/01/66/608020166.db2.gz XQUUUESCNWBLAX-UHFFFAOYSA-N 0 1 394.483 2.029 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(C)(C)C)s2)c1-c1nnn[n-]1 ZINC000826084039 608022467 /nfs/dbraw/zinc/02/24/67/608022467.db2.gz UJBHDAGXTPQIQG-UHFFFAOYSA-N 0 1 388.501 2.353 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(C)(C)C)s2)c1-c1nn[n-]n1 ZINC000826084039 608022468 /nfs/dbraw/zinc/02/24/68/608022468.db2.gz UJBHDAGXTPQIQG-UHFFFAOYSA-N 0 1 388.501 2.353 20 0 GEADMN CN(Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000825975880 608031867 /nfs/dbraw/zinc/03/18/67/608031867.db2.gz AJPQDKMBBZCYIC-LJQANCHMSA-N 0 1 376.464 2.490 20 0 GEADMN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819933523 608055570 /nfs/dbraw/zinc/05/55/70/608055570.db2.gz UXQKKTKBWGKEPP-AWEZNQCLSA-N 0 1 376.436 2.495 20 0 GEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826258378 608082870 /nfs/dbraw/zinc/08/28/70/608082870.db2.gz JIWCCWLKRGZRDL-KRWDZBQOSA-N 0 1 389.419 2.265 20 0 GEADMN Cc1cccc([C@@H]2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826297989 608128131 /nfs/dbraw/zinc/12/81/31/608128131.db2.gz YRVXDYSKSHIETB-LJQANCHMSA-N 0 1 376.464 2.281 20 0 GEADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000824358171 608203427 /nfs/dbraw/zinc/20/34/27/608203427.db2.gz ATKSQODWRHEKLX-DOMZBBRYSA-N 0 1 398.471 2.389 20 0 GEADMN CC(C)c1nc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824358892 608204083 /nfs/dbraw/zinc/20/40/83/608204083.db2.gz RIOFTEUENWQQPJ-NSHDSACASA-N 0 1 384.444 2.143 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826229901 608209740 /nfs/dbraw/zinc/20/97/40/608209740.db2.gz WCVAKVQAOKAZOM-SKDRFNHKSA-N 0 1 392.485 2.013 20 0 GEADMN COc1ccnc(N2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)c1 ZINC000826221269 608226448 /nfs/dbraw/zinc/22/64/48/608226448.db2.gz XJBGLHPRJYYTSI-UHFFFAOYSA-N 0 1 388.435 2.145 20 0 GEADMN CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825192827 608264110 /nfs/dbraw/zinc/26/41/10/608264110.db2.gz JFGUIRPGHDCKSA-UONOGXRCSA-N 0 1 380.456 2.254 20 0 GEADMN CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825192827 608264111 /nfs/dbraw/zinc/26/41/11/608264111.db2.gz JFGUIRPGHDCKSA-UONOGXRCSA-N 0 1 380.456 2.254 20 0 GEADMN C[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1cccc(NS(C)(=O)=O)c1 ZINC000824613883 608284181 /nfs/dbraw/zinc/28/41/81/608284181.db2.gz XMAFUFQDEUTJHQ-NSHDSACASA-N 0 1 390.444 2.228 20 0 GEADMN CCC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC[N@@H+]1CCOC ZINC000825259308 608303599 /nfs/dbraw/zinc/30/35/99/608303599.db2.gz ICBKWJLNXXMRQB-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN CCC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC[N@H+]1CCOC ZINC000825259308 608303601 /nfs/dbraw/zinc/30/36/01/608303601.db2.gz ICBKWJLNXXMRQB-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN CCC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[N@@H+]1CCOC ZINC000825259308 608303603 /nfs/dbraw/zinc/30/36/03/608303603.db2.gz ICBKWJLNXXMRQB-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN CCC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[N@H+]1CCOC ZINC000825259308 608303606 /nfs/dbraw/zinc/30/36/06/608303606.db2.gz ICBKWJLNXXMRQB-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC000826331944 608309279 /nfs/dbraw/zinc/30/92/79/608309279.db2.gz FBRQNRIQDSOMBI-GOSISDBHSA-N 0 1 392.511 2.421 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826331850 608316985 /nfs/dbraw/zinc/31/69/85/608316985.db2.gz AIWUCDQZOZEBJH-CVEARBPZSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826331850 608316987 /nfs/dbraw/zinc/31/69/87/608316987.db2.gz AIWUCDQZOZEBJH-CVEARBPZSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826331850 608316989 /nfs/dbraw/zinc/31/69/89/608316989.db2.gz AIWUCDQZOZEBJH-CVEARBPZSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826331850 608316992 /nfs/dbraw/zinc/31/69/92/608316992.db2.gz AIWUCDQZOZEBJH-CVEARBPZSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC000826332312 608317301 /nfs/dbraw/zinc/31/73/01/608317301.db2.gz PSUVPARDGLMUMD-SJLPKXTDSA-N 0 1 392.511 2.277 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC000826332312 608317302 /nfs/dbraw/zinc/31/73/02/608317302.db2.gz PSUVPARDGLMUMD-SJLPKXTDSA-N 0 1 392.511 2.277 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC000826332311 608317562 /nfs/dbraw/zinc/31/75/62/608317562.db2.gz PSUVPARDGLMUMD-FUHWJXTLSA-N 0 1 392.511 2.277 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC000826332311 608317564 /nfs/dbraw/zinc/31/75/64/608317564.db2.gz PSUVPARDGLMUMD-FUHWJXTLSA-N 0 1 392.511 2.277 20 0 GEADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000824046274 608325000 /nfs/dbraw/zinc/32/50/00/608325000.db2.gz RVJDBJLFYQXTRS-OWCLPIDISA-N 0 1 384.484 2.332 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000826168099 608368679 /nfs/dbraw/zinc/36/86/79/608368679.db2.gz BTEKFPHPKGOFFJ-HNNXBMFYSA-N 0 1 388.472 2.317 20 0 GEADMN CN(Cc1cccc(-c2nn[nH]n2)c1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825977161 608399243 /nfs/dbraw/zinc/39/92/43/608399243.db2.gz ZDVNWGJOKGGAHV-ZDUSSCGKSA-N 0 1 376.436 2.447 20 0 GEADMN c1ccc(C[NH+]2CCC(OCCCNc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826521826 608429683 /nfs/dbraw/zinc/42/96/83/608429683.db2.gz ZTWVCGXPQDBMIL-UHFFFAOYSA-N 0 1 394.483 2.140 20 0 GEADMN c1ccc(C[NH+]2CCC(OCCCNc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826521826 608429684 /nfs/dbraw/zinc/42/96/84/608429684.db2.gz ZTWVCGXPQDBMIL-UHFFFAOYSA-N 0 1 394.483 2.140 20 0 GEADMN COc1ccc(F)cc1[C@H](C)NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826208905 608460106 /nfs/dbraw/zinc/46/01/06/608460106.db2.gz FKMJEDDCUNBBRC-WFASDCNBSA-N 0 1 387.415 2.105 20 0 GEADMN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210679 608462993 /nfs/dbraw/zinc/46/29/93/608462993.db2.gz AABHGRKSNLVWIU-LBPRGKRZSA-N 0 1 382.424 2.173 20 0 GEADMN COc1cccc(CN(C)C(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826215888 608463357 /nfs/dbraw/zinc/46/33/57/608463357.db2.gz BJHPOPHQOKTRSC-AWEZNQCLSA-N 0 1 380.452 2.185 20 0 GEADMN COc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826192233 608464474 /nfs/dbraw/zinc/46/44/74/608464474.db2.gz FNXNUGJTBYSQCN-AWEZNQCLSA-N 0 1 380.452 2.185 20 0 GEADMN C[C@@H](NCC(=O)Nc1cccc2nsnc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564130 608466496 /nfs/dbraw/zinc/46/64/96/608466496.db2.gz SAKZJUNAZWHSNP-SNVBAGLBSA-N 0 1 380.437 2.161 20 0 GEADMN C[C@H](NCC(=O)N(C)CCOc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554294 608466694 /nfs/dbraw/zinc/46/66/94/608466694.db2.gz ODPCHGQCQGZGOG-AWEZNQCLSA-N 0 1 398.442 2.194 20 0 GEADMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826291045 608466955 /nfs/dbraw/zinc/46/69/55/608466955.db2.gz MSAXOWXPHKPVDI-CQSZACIVSA-N 0 1 393.451 2.482 20 0 GEADMN CCOc1cccc(CNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648935 608468909 /nfs/dbraw/zinc/46/89/09/608468909.db2.gz GWABGJUQSAUPMA-AWEZNQCLSA-N 0 1 380.452 2.232 20 0 GEADMN COCCOc1ncccc1CN[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826163299 608502379 /nfs/dbraw/zinc/50/23/79/608502379.db2.gz ODLWIXQFVSANKU-GOSISDBHSA-N 0 1 380.452 2.454 20 0 GEADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824936627 608528666 /nfs/dbraw/zinc/52/86/66/608528666.db2.gz KMPKVLDKBYEKGV-QAPCUYQASA-N 0 1 398.511 2.157 20 0 GEADMN CCCCc1nnc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000825296360 608532053 /nfs/dbraw/zinc/53/20/53/608532053.db2.gz GAEWQQDSYCUVEX-UHFFFAOYSA-N 0 1 398.496 2.278 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCc1ccc(Cl)cc1 ZINC000826412622 608532591 /nfs/dbraw/zinc/53/25/91/608532591.db2.gz VYPDPXKFMGZUNM-UHFFFAOYSA-N 0 1 396.882 2.458 20 0 GEADMN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)CN1C ZINC000446300011 649976924 /nfs/dbraw/zinc/97/69/24/649976924.db2.gz XGDJWWNBQPGJHZ-UHIISALHSA-N 0 1 380.286 2.426 20 0 GEADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(c2cccnc2)CC1 ZINC000824046254 608584006 /nfs/dbraw/zinc/58/40/06/608584006.db2.gz RPSHWWMVSHSBAM-CQSZACIVSA-N 0 1 377.452 2.468 20 0 GEADMN C[C@]1(CCCO)CCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824817645 608641609 /nfs/dbraw/zinc/64/16/09/608641609.db2.gz PYULUGYTVVJREE-QGZVFWFLSA-N 0 1 378.864 2.086 20 0 GEADMN FC(F)Oc1ccc(N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826369454 608769030 /nfs/dbraw/zinc/76/90/30/608769030.db2.gz DGZPNYQETVTGSS-UHFFFAOYSA-N 0 1 387.394 2.185 20 0 GEADMN C[C@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc(F)c1 ZINC000824548055 609169028 /nfs/dbraw/zinc/16/90/28/609169028.db2.gz USJZMOHZGDMCKH-SJCJKPOMSA-N 0 1 381.415 2.247 20 0 GEADMN Cc1ccncc1[C@@H](C)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826314786 609169322 /nfs/dbraw/zinc/16/93/22/609169322.db2.gz MMMZSCSLQSWSEO-RDTXWAMCSA-N 0 1 377.452 2.416 20 0 GEADMN O=S(=O)(Nc1ccccc1[C@@H](O)C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000826493199 609284045 /nfs/dbraw/zinc/28/40/45/609284045.db2.gz XWTBIBSDQJDTCE-CYBMUJFWSA-N 0 1 399.354 2.263 20 0 GEADMN C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617626 609331126 /nfs/dbraw/zinc/33/11/26/609331126.db2.gz ITXBCSWMGQCMGS-LLVKDONJSA-N 0 1 390.444 2.228 20 0 GEADMN CCOc1ncccc1CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825659353 609336970 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O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Br)c1O ZINC000558922806 651288214 /nfs/dbraw/zinc/28/82/14/651288214.db2.gz KFJXFUGTTBGDTC-IAQYHMDHSA-N 0 1 384.270 2.452 20 0 GEADMN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Br)c1O ZINC000558922809 651288318 /nfs/dbraw/zinc/28/83/18/651288318.db2.gz KFJXFUGTTBGDTC-XHDPSFHLSA-N 0 1 384.270 2.452 20 0 GEADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[N@H+](C)C1 ZINC000560462891 651310374 /nfs/dbraw/zinc/31/03/74/651310374.db2.gz GJILELCEGAIGFC-SNVBAGLBSA-N 0 1 395.308 2.400 20 0 GEADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[N@@H+](C)C1 ZINC000560462891 651310376 /nfs/dbraw/zinc/31/03/76/651310376.db2.gz GJILELCEGAIGFC-SNVBAGLBSA-N 0 1 395.308 2.400 20 0 GEADMN C[C@H]1C[C@H](NC(=O)c2ncc(I)s2)CN1C1CC1 ZINC000603436766 651492605 /nfs/dbraw/zinc/49/26/05/651492605.db2.gz DAADTNFBJOUSKD-YUMQZZPRSA-N 0 1 377.251 2.103 20 0 GEADMN CC(=O)N[C@H](CC(=O)NCc1cc(C)[nH]n1)c1ccc(Br)cc1 ZINC000603489201 651497022 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COCCN1CCCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000607894303 651580414 /nfs/dbraw/zinc/58/04/14/651580414.db2.gz SVVIWWQIEGDIHH-AWEZNQCLSA-N 0 1 385.302 2.397 20 0 GEADMN CN(C)c1cccnc1CNC[C@H](O)COc1cccc(Br)c1 ZINC000564869614 651582000 /nfs/dbraw/zinc/58/20/00/651582000.db2.gz BDXBRKTXAMAANQ-AWEZNQCLSA-N 0 1 380.286 2.440 20 0 GEADMN CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cscn3)CCCC2)no1 ZINC000564905039 651584000 /nfs/dbraw/zinc/58/40/00/651584000.db2.gz IARIOBWECIMUSW-UHFFFAOYSA-N 0 1 385.515 2.116 20 0 GEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000565110749 651588224 /nfs/dbraw/zinc/58/82/24/651588224.db2.gz SVEFDNAZWMXCJE-GXFFZTMASA-N 0 1 376.272 2.018 20 0 GEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000565110749 651588226 /nfs/dbraw/zinc/58/82/26/651588226.db2.gz SVEFDNAZWMXCJE-GXFFZTMASA-N 0 1 376.272 2.018 20 0 GEADMN CCOc1cccc(N2CCN(C(=O)c3n[nH]c(C)c3Br)CC2)n1 ZINC000730241466 651592592 /nfs/dbraw/zinc/59/25/92/651592592.db2.gz 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598606118 /nfs/dbraw/zinc/60/61/18/598606118.db2.gz KQQVSRFMFMPFDF-GFCCVEGCSA-N 0 1 397.464 2.016 20 0 GEADMN CCCN1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736480788 598688322 /nfs/dbraw/zinc/68/83/22/598688322.db2.gz MFVIOBBCQLEJMA-UHFFFAOYSA-N 0 1 393.451 2.222 20 0 GEADMN C[C@@H]1c2ccccc2OCCN1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305021 598763331 /nfs/dbraw/zinc/76/33/31/598763331.db2.gz SAQNSHHFALFWMT-GDBMZVCRSA-N 0 1 381.436 2.062 20 0 GEADMN S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCN(C2CCC2)CC1 ZINC000738400933 598822405 /nfs/dbraw/zinc/82/24/05/598822405.db2.gz KLLLWCLOAZJLJH-UHFFFAOYSA-N 0 1 377.905 2.387 20 0 GEADMN COc1ccccc1C/C(C)=C/C(=O)Nc1nc2n(c1-c1nn[nH]n1)CCS2 ZINC000737152364 599298534 /nfs/dbraw/zinc/29/85/34/599298534.db2.gz KFWFVARPPOIYSO-ZHACJKMWSA-N 0 1 397.464 2.305 20 0 GEADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000821618061 599380655 /nfs/dbraw/zinc/38/06/55/599380655.db2.gz OSAVVBNLKAWALM-UHFFFAOYSA-N 0 1 394.370 2.188 20 0 GEADMN C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820365435 599403996 /nfs/dbraw/zinc/40/39/96/599403996.db2.gz JHINZSNTXURLOJ-OAHLLOKOSA-N 0 1 391.479 2.285 20 0 GEADMN FC(F)Oc1cc2c(cc1CNCc1ccc(-c3nn[nH]n3)cc1)OCO2 ZINC000822731946 599407309 /nfs/dbraw/zinc/40/73/09/599407309.db2.gz GCMXLMGPJMGRKD-UHFFFAOYSA-N 0 1 375.335 2.487 20 0 GEADMN CCOc1ccc(NC(=O)CNCc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821422039 599414325 /nfs/dbraw/zinc/41/43/25/599414325.db2.gz KLIBQRPSUPKDRR-UHFFFAOYSA-N 0 1 382.424 2.002 20 0 GEADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)COc1cccc(Cl)c1Cl ZINC000823689095 599415848 /nfs/dbraw/zinc/41/58/48/599415848.db2.gz AGROHYYXBQZQLZ-VIFPVBQESA-N 0 1 384.223 2.296 20 0 GEADMN C[C@H](NCc1cccc(-c2nn[nH]n2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820431381 599451206 /nfs/dbraw/zinc/45/12/06/599451206.db2.gz FEBSJIBUFRTCFL-NSHDSACASA-N 0 1 375.429 2.260 20 0 GEADMN COc1cc2c(cc1CNCc1cnc3ccc(-c4nn[nH]n4)cn13)O[C@@H](C)C2 ZINC000737056572 599485089 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0 GEADMN Cc1oc(CN(C)C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000738969606 599706834 /nfs/dbraw/zinc/70/68/34/599706834.db2.gz MLTYSZBFWJYZGQ-IBGZPJMESA-N 0 1 385.464 2.233 20 0 GEADMN Cc1nc(C2([NH2+]CCCN3C(=O)CS/C3=C\C(=O)[O-])CCCCCC2)no1 ZINC000738851524 599713361 /nfs/dbraw/zinc/71/33/61/599713361.db2.gz ZSVJHGJRZOUJGI-PTNGSMBKSA-N 0 1 394.497 2.409 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000736284297 599718620 /nfs/dbraw/zinc/71/86/20/599718620.db2.gz ZHGVMOVSOSAILI-ZDUSSCGKSA-N 0 1 377.441 2.170 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000736284297 599718623 /nfs/dbraw/zinc/71/86/23/599718623.db2.gz ZHGVMOVSOSAILI-ZDUSSCGKSA-N 0 1 377.441 2.170 20 0 GEADMN Cc1[nH]c(C(=O)C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738155082 599719175 /nfs/dbraw/zinc/71/91/75/599719175.db2.gz ZHEUHYVPUZDXFU-ZDUSSCGKSA-N 0 1 379.457 2.359 20 0 GEADMN Cc1[nH]c(C(=O)C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738155082 599719178 /nfs/dbraw/zinc/71/91/78/599719178.db2.gz ZHEUHYVPUZDXFU-ZDUSSCGKSA-N 0 1 379.457 2.359 20 0 GEADMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000570851158 599719643 /nfs/dbraw/zinc/71/96/43/599719643.db2.gz CVIVAPCGGSJGBW-HNNXBMFYSA-N 0 1 392.477 2.477 20 0 GEADMN CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccc(C(=O)[O-])cc3)c2C1 ZINC000737031077 599721374 /nfs/dbraw/zinc/72/13/74/599721374.db2.gz XMFZPQXHLODGAR-UHFFFAOYSA-N 0 1 381.432 2.365 20 0 GEADMN CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccc(C(=O)[O-])cc3)c2C1 ZINC000737031077 599721376 /nfs/dbraw/zinc/72/13/76/599721376.db2.gz XMFZPQXHLODGAR-UHFFFAOYSA-N 0 1 381.432 2.365 20 0 GEADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736749322 599724237 /nfs/dbraw/zinc/72/42/37/599724237.db2.gz JIOXTTPWZSPRHA-XQQFMLRXSA-N 0 1 394.447 2.337 20 0 GEADMN C[N@H+](CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1 ZINC000386933475 599728963 /nfs/dbraw/zinc/72/89/63/599728963.db2.gz UHIZZBRVRINNTH-UHFFFAOYSA-N 0 1 382.869 2.449 20 0 GEADMN C[N@@H+](CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1 ZINC000386933475 599728964 /nfs/dbraw/zinc/72/89/64/599728964.db2.gz UHIZZBRVRINNTH-UHFFFAOYSA-N 0 1 382.869 2.449 20 0 GEADMN CC[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000737115357 599732022 /nfs/dbraw/zinc/73/20/22/599732022.db2.gz OIYXAHCVRBRENB-ROUUACIJSA-N 0 1 393.915 2.484 20 0 GEADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CN[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738769398 599781948 /nfs/dbraw/zinc/78/19/48/599781948.db2.gz APXVJPICILJJPZ-QFIPXVFZSA-N 0 1 395.503 2.445 20 0 GEADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736952994 599785259 /nfs/dbraw/zinc/78/52/59/599785259.db2.gz ZDZTYPZOSLBWMT-DOTOQJQBSA-N 0 1 389.496 2.018 20 0 GEADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1CN1CCCCC1 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CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000739581667 602333870 /nfs/dbraw/zinc/33/38/70/602333870.db2.gz HMOCMUVKAZKVRF-RBUKOAKNSA-N 0 1 388.512 2.335 20 0 GEADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)cc(C(=O)[O-])c1 ZINC000831256999 602342778 /nfs/dbraw/zinc/34/27/78/602342778.db2.gz DJHMJDRRHCKYPS-CXAGYDPISA-N 0 1 392.452 2.245 20 0 GEADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)cc(C(=O)[O-])c1 ZINC000831256999 602342781 /nfs/dbraw/zinc/34/27/81/602342781.db2.gz DJHMJDRRHCKYPS-CXAGYDPISA-N 0 1 392.452 2.245 20 0 GEADMN CC1CC[NH+](CC(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)CC1 ZINC000828290300 602364392 /nfs/dbraw/zinc/36/43/92/602364392.db2.gz YTWVOPGWGULBFC-SFHVURJKSA-N 0 1 387.480 2.436 20 0 GEADMN CC(C)Oc1cccc(CNC(=O)C[NH+]2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000738863587 602380923 /nfs/dbraw/zinc/38/09/23/602380923.db2.gz BURSPTTWGDJVLK-UHFFFAOYSA-N 0 1 377.485 2.412 20 0 GEADMN CCN1CC[NH+](Cc2ccccc2CNC(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000739461384 602393621 /nfs/dbraw/zinc/39/36/21/602393621.db2.gz SQXWAIREOXIGEM-UHFFFAOYSA-N 0 1 388.512 2.021 20 0 GEADMN CC(C)N(CCC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000738916794 602394807 /nfs/dbraw/zinc/39/48/07/602394807.db2.gz UFFAHSMVUOQIGX-QGZVFWFLSA-N 0 1 376.501 2.092 20 0 GEADMN C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738620535 602399350 /nfs/dbraw/zinc/39/93/50/602399350.db2.gz VRVSEFZDRJAIOL-STQMWFEESA-N 0 1 380.420 2.184 20 0 GEADMN COCC[NH+]1CCN(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)CC1 ZINC000739835001 602425426 /nfs/dbraw/zinc/42/54/26/602425426.db2.gz RXWMFGMPTCVZPH-GOSISDBHSA-N 0 1 392.500 2.092 20 0 GEADMN C[C@H](NC(=O)[O-])C1CC[NH+](CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CC1 ZINC000739015189 602425486 /nfs/dbraw/zinc/42/54/86/602425486.db2.gz MHRQYQJQGMYUCT-XCHKQJEOSA-N 0 1 386.452 2.247 20 0 GEADMN C[C@@H](NC(=O)[O-])C1CC[NH+](CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CC1 ZINC000739015188 602425584 /nfs/dbraw/zinc/42/55/84/602425584.db2.gz MHRQYQJQGMYUCT-WASHYIJTSA-N 0 1 386.452 2.247 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCN(C(=O)[O-])CC1 ZINC000736789416 602448714 /nfs/dbraw/zinc/44/87/14/602448714.db2.gz MZLPCMCGVBMHIL-INIZCTEOSA-N 0 1 375.469 2.376 20 0 GEADMN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739030283 602451963 /nfs/dbraw/zinc/45/19/63/602451963.db2.gz ZEYNLPYNFRKWHD-QWHCGFSZSA-N 0 1 377.441 2.153 20 0 GEADMN C[C@H](NC(=O)[O-])C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000739024505 602456549 /nfs/dbraw/zinc/45/65/49/602456549.db2.gz IRPXUAAHVJYLHL-XHDPSFHLSA-N 0 1 379.844 2.340 20 0 GEADMN CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@@H](C)NC(=O)[O-])CC3)C2=O)cc1 ZINC000739506673 602456846 /nfs/dbraw/zinc/45/68/46/602456846.db2.gz NCKBYQKXHPQBKX-DYVFJYSZSA-N 0 1 389.452 2.085 20 0 GEADMN CCC[N@H+](CN1C(=O)CN(/C=C/c2ccccc2)C1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739361233 602525549 /nfs/dbraw/zinc/52/55/49/602525549.db2.gz ZKWKJCBIRMMJBP-VGMNTSGFSA-N 0 1 386.452 2.343 20 0 GEADMN CCC[N@@H+](CN1C(=O)CN(/C=C/c2ccccc2)C1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739361233 602525550 /nfs/dbraw/zinc/52/55/50/602525550.db2.gz ZKWKJCBIRMMJBP-VGMNTSGFSA-N 0 1 386.452 2.343 20 0 GEADMN COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)cc1F ZINC000739905487 602531209 /nfs/dbraw/zinc/53/12/09/602531209.db2.gz SIEDWUPOYGKACY-ZFWWWQNUSA-N 0 1 381.448 2.113 20 0 GEADMN CN(C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1)C(=O)[O-] ZINC000739659517 602534505 /nfs/dbraw/zinc/53/45/05/602534505.db2.gz DEDVCSXCKIOGLM-OCCSQVGLSA-N 0 1 387.274 2.121 20 0 GEADMN CN(C(=O)[O-])C1CC[NH+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000737937354 602536086 /nfs/dbraw/zinc/53/60/86/602536086.db2.gz BVYNXQQPFLZMIQ-UHFFFAOYSA-N 0 1 389.374 2.276 20 0 GEADMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(N(C)C(=O)[O-])CC2)c1 ZINC000738051953 602536186 /nfs/dbraw/zinc/53/61/86/602536186.db2.gz UOFJMDQLBJVAFM-CYBMUJFWSA-N 0 1 377.441 2.183 20 0 GEADMN CN(C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1)C(=O)[O-] ZINC000739657876 602536346 /nfs/dbraw/zinc/53/63/46/602536346.db2.gz AOMKKJBIMHIKFC-LBPRGKRZSA-N 0 1 377.363 2.102 20 0 GEADMN CN(C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1)C(=O)[O-] ZINC000739657876 602536348 /nfs/dbraw/zinc/53/63/48/602536348.db2.gz AOMKKJBIMHIKFC-LBPRGKRZSA-N 0 1 377.363 2.102 20 0 GEADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1)C(=O)[O-] ZINC000739660949 602541127 /nfs/dbraw/zinc/54/11/27/602541127.db2.gz MEWWBKGHHKIGLG-LLVKDONJSA-N 0 1 375.347 2.455 20 0 GEADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1)C(=O)[O-] ZINC000739660949 602541128 /nfs/dbraw/zinc/54/11/28/602541128.db2.gz MEWWBKGHHKIGLG-LLVKDONJSA-N 0 1 375.347 2.455 20 0 GEADMN CCC[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354807 602543910 /nfs/dbraw/zinc/54/39/10/602543910.db2.gz SLHYIYGUPQQOKO-IEBWSBKVSA-N 0 1 388.512 2.093 20 0 GEADMN C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000738939907 602566059 /nfs/dbraw/zinc/56/60/59/602566059.db2.gz PHRPFLKVLVDESO-OXJNMPFZSA-N 0 1 381.476 2.428 20 0 GEADMN O=C([O-])N1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000740411208 602599232 /nfs/dbraw/zinc/59/92/32/602599232.db2.gz IGWCFAYRLZLMPO-LSDHHAIUSA-N 0 1 380.514 2.402 20 0 GEADMN O=C([O-])N1CCCc2cc(NC(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC000740465994 602605782 /nfs/dbraw/zinc/60/57/82/602605782.db2.gz VAJPBBSADHUCCB-QGZVFWFLSA-N 0 1 388.468 2.446 20 0 GEADMN O=C([O-])N1CCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000740417774 602610712 /nfs/dbraw/zinc/61/07/12/602610712.db2.gz QECCIOJHOGDMKZ-HNNXBMFYSA-N 0 1 378.498 2.499 20 0 GEADMN COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)NC(=O)[O-] ZINC000739965053 602621278 /nfs/dbraw/zinc/62/12/78/602621278.db2.gz VIHWJCYMMIDXEK-NVXWUHKLSA-N 0 1 392.500 2.424 20 0 GEADMN O=C([O-])N1CCC[C@@H]([N@H+](Cc2ccccc2)Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000740515818 602680057 /nfs/dbraw/zinc/68/00/57/602680057.db2.gz VANMOUHNDVHHTB-QGZVFWFLSA-N 0 1 381.436 2.167 20 0 GEADMN Cc1cc(N2CCC[C@@H](NC(=O)C3CCC(NC(=O)[O-])CC3)C2)nc(C)[nH+]1 ZINC000740078598 602688433 /nfs/dbraw/zinc/68/84/33/602688433.db2.gz BEDMIXWYXRHJDP-UYSNPLJNSA-N 0 1 375.473 2.005 20 0 GEADMN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](NC(=O)[O-])c3ccccc3)C2)nc(C)[nH+]1 ZINC000740081261 602688626 /nfs/dbraw/zinc/68/86/26/602688626.db2.gz VPDHIGLVJJRWOE-AEFFLSMTSA-N 0 1 383.452 2.187 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])C2)nc(C)[nH+]1 ZINC000740080748 602689934 /nfs/dbraw/zinc/68/99/34/602689934.db2.gz ROHBHCOBPJHYPE-ZWKOTPCHSA-N 0 1 397.479 2.057 20 0 GEADMN CC[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)[N@H+]1CCc2ccccc2C1 ZINC000739257622 602697671 /nfs/dbraw/zinc/69/76/71/602697671.db2.gz INPYZPPHOUOTJA-OAHLLOKOSA-N 0 1 388.493 2.477 20 0 GEADMN Cc1nc(C)c([C@@H](C)N(C)C(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)s1 ZINC000740218043 602702517 /nfs/dbraw/zinc/70/25/17/602702517.db2.gz OSAYOKOFFYLTSI-CYBMUJFWSA-N 0 1 383.518 2.148 20 0 GEADMN C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739627489 602705144 /nfs/dbraw/zinc/70/51/44/602705144.db2.gz PEFIMGAHNBLVRZ-NSHDSACASA-N 0 1 385.262 2.104 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)NCC[C@H]3CCN(C(=O)[O-])C3)CC2)cs1 ZINC000740222427 602727548 /nfs/dbraw/zinc/72/75/48/602727548.db2.gz FEOFKXGJWZSUAS-AWEZNQCLSA-N 0 1 380.514 2.170 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](NC(=O)[O-])C(C)C)cc1F ZINC000740235274 602800858 /nfs/dbraw/zinc/80/08/58/602800858.db2.gz DEKNTRPQVDKAQO-HNNXBMFYSA-N 0 1 377.420 2.411 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](C)N(C(=O)[O-])[C@H](C)C3)CC2)cs1 ZINC000740222467 602808474 /nfs/dbraw/zinc/80/84/74/602808474.db2.gz GPKZYZXWZMAJEJ-CHWSQXEVSA-N 0 1 380.514 2.263 20 0 GEADMN Cc1ccccc1[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](CN(C)C(=O)[O-])C2)C1=O ZINC000740187314 602860114 /nfs/dbraw/zinc/86/01/14/602860114.db2.gz OUPHKNWBHCTBGT-YWZLYKJASA-N 0 1 388.468 2.041 20 0 GEADMN Cc1ccccc1[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](CN(C)C(=O)[O-])C2)C1=O ZINC000740187314 602860117 /nfs/dbraw/zinc/86/01/17/602860117.db2.gz OUPHKNWBHCTBGT-YWZLYKJASA-N 0 1 388.468 2.041 20 0 GEADMN CN(C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C1)C(=O)[O-] ZINC000739638622 602862003 /nfs/dbraw/zinc/86/20/03/602862003.db2.gz WXSTURFIXUZWIS-LIRRHRJNSA-N 0 1 380.489 2.157 20 0 GEADMN CN(C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C1)C(=O)[O-] ZINC000739638622 602862004 /nfs/dbraw/zinc/86/20/04/602862004.db2.gz WXSTURFIXUZWIS-LIRRHRJNSA-N 0 1 380.489 2.157 20 0 GEADMN O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000740421091 602899531 /nfs/dbraw/zinc/89/95/31/602899531.db2.gz XABXPZXLUYUJLP-RTBURBONSA-N 0 1 388.512 2.383 20 0 GEADMN C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])cc2Cl)CC1 ZINC000739736732 602977388 /nfs/dbraw/zinc/97/73/88/602977388.db2.gz POQWNIJHCNTPFA-HIFRSBDPSA-N 0 1 380.876 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O=C(NCc1c[nH]nn1)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823229497 606658597 /nfs/dbraw/zinc/65/85/97/606658597.db2.gz VDTMTGQKPNCQKI-UHFFFAOYSA-N 0 1 377.368 2.099 20 0 GEADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)s1 ZINC000821669517 606712534 /nfs/dbraw/zinc/71/25/34/606712534.db2.gz PFTVMGDXQVNSLH-UHFFFAOYSA-N 0 1 399.841 2.169 20 0 GEADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820820707 606724319 /nfs/dbraw/zinc/72/43/19/606724319.db2.gz PLRQARUWZAFGBJ-WCQYABFASA-N 0 1 392.460 2.310 20 0 GEADMN Cc1nc([C@@H]2CCCN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)n[nH]1 ZINC000822436056 606726173 /nfs/dbraw/zinc/72/61/73/606726173.db2.gz GSSLQHFPBUVZQM-SECBINFHSA-N 0 1 379.350 2.091 20 0 GEADMN Cc1nnc([C@@H]2CCCN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)[nH]1 ZINC000822436056 606726174 /nfs/dbraw/zinc/72/61/74/606726174.db2.gz GSSLQHFPBUVZQM-SECBINFHSA-N 0 1 379.350 2.091 20 0 GEADMN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926644 606742416 /nfs/dbraw/zinc/74/24/16/606742416.db2.gz UREZXKFFIOXIEW-PKOBYXMFSA-N 0 1 382.468 2.229 20 0 GEADMN COCCOc1ccccc1N1CCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821693582 606761821 /nfs/dbraw/zinc/76/18/21/606761821.db2.gz FFSURRBCCDVLKK-UHFFFAOYSA-N 0 1 394.479 2.214 20 0 GEADMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821896873 606769515 /nfs/dbraw/zinc/76/95/15/606769515.db2.gz CXYNIYFHPDTJTC-CZUORRHYSA-N 0 1 378.436 2.331 20 0 GEADMN FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000822723596 606877122 /nfs/dbraw/zinc/87/71/22/606877122.db2.gz HDVXEPRZLYZKRG-STQMWFEESA-N 0 1 397.405 2.336 20 0 GEADMN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820254463 606882441 /nfs/dbraw/zinc/88/24/41/606882441.db2.gz PVBKCJWFNIUBHU-NSHDSACASA-N 0 1 393.419 2.445 20 0 GEADMN CN(Cc1cnn(-c2ccccc2)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821617080 606883366 /nfs/dbraw/zinc/88/33/66/606883366.db2.gz VTKOUHLMZBAMDM-IBGZPJMESA-N 0 1 375.436 2.218 20 0 GEADMN C[C@H](c1ccccc1)N(CCCOc1ccc(-c2nn[nH]n2)cc1)CC(N)=O ZINC000822004628 606883685 /nfs/dbraw/zinc/88/36/85/606883685.db2.gz JWEGHOCBRGTELX-OAHLLOKOSA-N 0 1 380.452 2.184 20 0 GEADMN C[C@@H](CCc1ccco1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820254781 606884345 /nfs/dbraw/zinc/88/43/45/606884345.db2.gz WZHKRMSHJHNTJV-VIFPVBQESA-N 0 1 383.380 2.038 20 0 GEADMN O=S(=O)(NC/C=C\c1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572897 606890917 /nfs/dbraw/zinc/89/09/17/606890917.db2.gz OOWVCJOTEWSSSF-DAXSKMNVSA-N 0 1 377.376 2.137 20 0 GEADMN CC(C)[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccn1 ZINC000820027813 606891551 /nfs/dbraw/zinc/89/15/51/606891551.db2.gz UKZPPSLRBIRHPU-AWEZNQCLSA-N 0 1 394.407 2.216 20 0 GEADMN C[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Cc1cccs1 ZINC000820275732 606893166 /nfs/dbraw/zinc/89/31/66/606893166.db2.gz RCWBFDFQWHMCJE-VIFPVBQESA-N 0 1 399.448 2.364 20 0 GEADMN CCc1nnc(N2CCN(Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528280 606909341 /nfs/dbraw/zinc/90/93/41/606909341.db2.gz MOXLFHTWJSVULR-UHFFFAOYSA-N 0 1 378.484 2.104 20 0 GEADMN CCc1nnc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c(-c2nn[nH]n2)c1CC ZINC000821542090 606932992 /nfs/dbraw/zinc/93/29/92/606932992.db2.gz ISZVPBXVAFNRBV-UHFFFAOYSA-N 0 1 394.418 2.318 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)CC[C@@H]32)cc1 ZINC000823779328 607031832 /nfs/dbraw/zinc/03/18/32/607031832.db2.gz ANKBJYNUUFCXSZ-IRXDYDNUSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)CC[C@@H]32)cc1 ZINC000823779328 607031833 /nfs/dbraw/zinc/03/18/33/607031833.db2.gz ANKBJYNUUFCXSZ-IRXDYDNUSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)CC[C@@H]32)cc1 ZINC000823779328 607031834 /nfs/dbraw/zinc/03/18/34/607031834.db2.gz ANKBJYNUUFCXSZ-IRXDYDNUSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)CC[C@@H]32)cc1 ZINC000823779328 607031835 /nfs/dbraw/zinc/03/18/35/607031835.db2.gz ANKBJYNUUFCXSZ-IRXDYDNUSA-N 0 1 376.468 2.148 20 0 GEADMN Clc1cccc(N2CCN(CCNc3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000822586054 607039348 /nfs/dbraw/zinc/03/93/48/607039348.db2.gz RFDNZUKHPWGAJM-UHFFFAOYSA-N 0 1 384.875 2.149 20 0 GEADMN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)CCSc1nnc(C)[nH]1 ZINC000821117842 607040990 /nfs/dbraw/zinc/04/09/90/607040990.db2.gz BDXDQZLJEALXRB-UHFFFAOYSA-N 0 1 387.473 2.236 20 0 GEADMN OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823713050 607175221 /nfs/dbraw/zinc/17/52/21/607175221.db2.gz CMDZAUCTXZVWIB-YOEHRIQHSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823715901 607175224 /nfs/dbraw/zinc/17/52/24/607175224.db2.gz YSCGLGHGNOEVKZ-ZBFHGGJFSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823715901 607175225 /nfs/dbraw/zinc/17/52/25/607175225.db2.gz YSCGLGHGNOEVKZ-ZBFHGGJFSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823715901 607175226 /nfs/dbraw/zinc/17/52/26/607175226.db2.gz YSCGLGHGNOEVKZ-ZBFHGGJFSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823715901 607175227 /nfs/dbraw/zinc/17/52/27/607175227.db2.gz YSCGLGHGNOEVKZ-ZBFHGGJFSA-N 0 1 399.886 2.210 20 0 GEADMN CC(C)(C)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC000819906728 607218604 /nfs/dbraw/zinc/21/86/04/607218604.db2.gz JRQHJNXSNWZHIK-ZDUSSCGKSA-N 0 1 388.863 2.405 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000823136239 607224088 /nfs/dbraw/zinc/22/40/88/607224088.db2.gz QDDAEDPKSCNVSB-UHFFFAOYSA-N 0 1 398.333 2.167 20 0 GEADMN OC[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000823707248 607230059 /nfs/dbraw/zinc/23/00/59/607230059.db2.gz XRZMUXQCWDLUFE-GFCCVEGCSA-N 0 1 381.358 2.419 20 0 GEADMN c1ccc2c(c1)CC[C@@]21CN(CCOc2ccccc2-c2nn[nH]n2)CCO1 ZINC000826523730 607803653 /nfs/dbraw/zinc/80/36/53/607803653.db2.gz WETRMYSPHBHUCK-OAQYLSRUSA-N 0 1 377.448 2.419 20 0 GEADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(c2ccccn2)CC1 ZINC000824045406 607830464 /nfs/dbraw/zinc/83/04/64/607830464.db2.gz MJGLNHAMRRTGHO-AWEZNQCLSA-N 0 1 377.452 2.468 20 0 GEADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824978515 607913451 /nfs/dbraw/zinc/91/34/51/607913451.db2.gz WHOCDPSUKPJRER-ZIAGYGMSSA-N 0 1 393.451 2.219 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000826280276 607933030 /nfs/dbraw/zinc/93/30/30/607933030.db2.gz VSBUZEJDZZYBIE-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000824754570 608011945 /nfs/dbraw/zinc/01/19/45/608011945.db2.gz IOVWNALPZZRLDT-CABCVRRESA-N 0 1 397.435 2.435 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1NC1CCC(OC(=O)CCc2nc[nH]n2)CC1 ZINC000826254725 608012118 /nfs/dbraw/zinc/01/21/18/608012118.db2.gz YGVLNAZYNYXTFN-UHFFFAOYSA-N 0 1 396.455 2.192 20 0 GEADMN CCCCc1ccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825296555 608019311 /nfs/dbraw/zinc/01/93/11/608019311.db2.gz OCSXMSAGGFSXDW-UHFFFAOYSA-N 0 1 396.499 2.266 20 0 GEADMN CCCCc1ccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825296555 608019312 /nfs/dbraw/zinc/01/93/12/608019312.db2.gz OCSXMSAGGFSXDW-UHFFFAOYSA-N 0 1 396.499 2.266 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)c(C)cc3o2)c1-c1nnn[n-]1 ZINC000826077840 608020615 /nfs/dbraw/zinc/02/06/15/608020615.db2.gz XJPFGSXCQOSNKA-UHFFFAOYSA-N 0 1 394.439 2.357 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)c(C)cc3o2)c1-c1nn[n-]n1 ZINC000826077840 608020616 /nfs/dbraw/zinc/02/06/16/608020616.db2.gz XJPFGSXCQOSNKA-UHFFFAOYSA-N 0 1 394.439 2.357 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccco3)s2)c1-c1nnn[n-]1 ZINC000826084393 608020814 /nfs/dbraw/zinc/02/08/14/608020814.db2.gz ZSJUYNDBCZUCLA-UHFFFAOYSA-N 0 1 398.452 2.316 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccco3)s2)c1-c1nn[n-]n1 ZINC000826084393 608020815 /nfs/dbraw/zinc/02/08/15/608020815.db2.gz ZSJUYNDBCZUCLA-UHFFFAOYSA-N 0 1 398.452 2.316 20 0 GEADMN CCC(CC)[C@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825094784 608054174 /nfs/dbraw/zinc/05/41/74/608054174.db2.gz BOFDYRRKUDAVSN-LBPRGKRZSA-N 0 1 387.488 2.453 20 0 GEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826321982 608120647 /nfs/dbraw/zinc/12/06/47/608120647.db2.gz WGQVPDZXCAHMEK-UHFFFAOYSA-N 0 1 394.483 2.420 20 0 GEADMN Cc1ccc([C@H]2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826286003 608127803 /nfs/dbraw/zinc/12/78/03/608127803.db2.gz PRRNQPMKEPPEAP-IBGZPJMESA-N 0 1 376.464 2.281 20 0 GEADMN Cc1ccc([C@@H]2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826286004 608127818 /nfs/dbraw/zinc/12/78/18/608127818.db2.gz PRRNQPMKEPPEAP-LJQANCHMSA-N 0 1 376.464 2.281 20 0 GEADMN O=C(CCCC(F)(F)F)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826405442 608148782 /nfs/dbraw/zinc/14/87/82/608148782.db2.gz FWLFRJCVUYRPFB-UHFFFAOYSA-N 0 1 399.377 2.113 20 0 GEADMN COc1ccc(C[C@](C)([NH3+])CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826191128 608192219 /nfs/dbraw/zinc/19/22/19/608192219.db2.gz XWCJGGHIRCUTNN-HNNXBMFYSA-N 0 1 379.877 2.357 20 0 GEADMN COc1ccc(C[C@](C)([NH3+])CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826191128 608192220 /nfs/dbraw/zinc/19/22/20/608192220.db2.gz XWCJGGHIRCUTNN-HNNXBMFYSA-N 0 1 379.877 2.357 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000824739145 608247739 /nfs/dbraw/zinc/24/77/39/608247739.db2.gz VSCBNFWPXVXIFV-GDBMZVCRSA-N 0 1 397.435 2.435 20 0 GEADMN O=C(CCN1CCOC2(CCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407507 608259197 /nfs/dbraw/zinc/25/91/97/608259197.db2.gz PFFNTHJFFGECQV-UHFFFAOYSA-N 0 1 376.848 2.104 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2Cn2cccn2)c1-c1nn[nH]n1 ZINC000826332531 608313104 /nfs/dbraw/zinc/31/31/04/608313104.db2.gz WZSKTQGJGJDTFY-KRWDZBQOSA-N 0 1 389.467 2.222 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2Cn2cccn2)c1-c1nn[n-]n1 ZINC000826332531 608313106 /nfs/dbraw/zinc/31/31/06/608313106.db2.gz WZSKTQGJGJDTFY-KRWDZBQOSA-N 0 1 389.467 2.222 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2Cn2cccn2)c1-c1nn[n-]n1 ZINC000826332531 608313108 /nfs/dbraw/zinc/31/31/08/608313108.db2.gz WZSKTQGJGJDTFY-KRWDZBQOSA-N 0 1 389.467 2.222 20 0 GEADMN CCc1cccnc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825728081 608328165 /nfs/dbraw/zinc/32/81/65/608328165.db2.gz HVGZHLWFLCTQAT-UHFFFAOYSA-N 0 1 391.479 2.172 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCN(CCc2ccccc2)CC1 ZINC000826168871 608352566 /nfs/dbraw/zinc/35/25/66/608352566.db2.gz AYLCUZNEAJNBDK-UHFFFAOYSA-N 0 1 378.480 2.236 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCCN(Cc2nc(C)c(C)o2)CC1 ZINC000826169340 608358523 /nfs/dbraw/zinc/35/85/23/608358523.db2.gz PSIRZVBNJIOWAL-UHFFFAOYSA-N 0 1 397.483 2.188 20 0 GEADMN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825221103 608407804 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ZINC000820493072 598065528 /nfs/dbraw/zinc/06/55/28/598065528.db2.gz ZEHSBBZKAFRCFW-GFCCVEGCSA-N 0 1 392.843 2.189 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N(C)Cc2cccc(N(C)C)c2)cc1-c1nn[nH]n1 ZINC000821970160 607325492 /nfs/dbraw/zinc/32/54/92/607325492.db2.gz JNXYVWDXLZVYHL-UHFFFAOYSA-N 0 1 399.480 2.027 20 0 GEADMN O=S(=O)(Nc1ccc(SC(F)F)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823589214 607326920 /nfs/dbraw/zinc/32/69/20/607326920.db2.gz SWQQZGVRCAFVFH-UHFFFAOYSA-N 0 1 384.393 2.377 20 0 GEADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])[NH+]2CCCC2)o1 ZINC000821069646 598174203 /nfs/dbraw/zinc/17/42/03/598174203.db2.gz GWIFFICSSTVAHO-MRXNPFEDSA-N 0 1 385.420 2.178 20 0 GEADMN COc1ccc(CCN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000737089929 598241823 /nfs/dbraw/zinc/24/18/23/598241823.db2.gz ZSVRWHLKQPPFOL-UHFFFAOYSA-N 0 1 382.443 2.379 20 0 GEADMN C[C@H]1CCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259711 598257283 /nfs/dbraw/zinc/25/72/83/598257283.db2.gz GDVVGASSFMVTKG-YJBOKZPZSA-N 0 1 383.500 2.273 20 0 GEADMN S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCN(CC2CC2)CC1 ZINC000738400638 598321094 /nfs/dbraw/zinc/32/10/94/598321094.db2.gz HSLZYBRYCRDILY-UHFFFAOYSA-N 0 1 377.905 2.245 20 0 GEADMN COC(=O)C[C@@H]1CCCCN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736913008 598335395 /nfs/dbraw/zinc/33/53/95/598335395.db2.gz WABDRUNGQYBZJL-INIZCTEOSA-N 0 1 381.440 2.105 20 0 GEADMN Cc1ccc(N(C)C2CCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)nn1 ZINC000737347029 598341173 /nfs/dbraw/zinc/34/11/73/598341173.db2.gz KZIABIWERCUXGS-UHFFFAOYSA-N 0 1 382.447 2.205 20 0 GEADMN CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735586928 598372178 /nfs/dbraw/zinc/37/21/78/598372178.db2.gz NPZXXVUDHYLAML-OAHLLOKOSA-N 0 1 381.484 2.246 20 0 GEADMN O=C(CSCc1coc(-c2ccccc2)n1)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737936200 598380546 /nfs/dbraw/zinc/38/05/46/598380546.db2.gz MMLHBEOGARLZPT-UHFFFAOYSA-N 0 1 393.432 2.211 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737548660 598467455 /nfs/dbraw/zinc/46/74/55/598467455.db2.gz PXDSCZSWSNVIGK-OAHLLOKOSA-N 0 1 395.467 2.259 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737548660 598467457 /nfs/dbraw/zinc/46/74/57/598467457.db2.gz PXDSCZSWSNVIGK-OAHLLOKOSA-N 0 1 395.467 2.259 20 0 GEADMN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736250799 598471345 /nfs/dbraw/zinc/47/13/45/598471345.db2.gz MTCQMCXOLQXVGV-VXGBXAGGSA-N 0 1 398.920 2.061 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1-c1nnn[n-]1 ZINC000737188523 598497347 /nfs/dbraw/zinc/49/73/47/598497347.db2.gz AKNYUZQSTUSRGD-ZDUSSCGKSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1-c1nnn[n-]1 ZINC000737188523 598497350 /nfs/dbraw/zinc/49/73/50/598497350.db2.gz AKNYUZQSTUSRGD-ZDUSSCGKSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1-c1nn[n-]n1 ZINC000737188523 598497352 /nfs/dbraw/zinc/49/73/52/598497352.db2.gz AKNYUZQSTUSRGD-ZDUSSCGKSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1-c1nn[n-]n1 ZINC000737188523 598497354 /nfs/dbraw/zinc/49/73/54/598497354.db2.gz AKNYUZQSTUSRGD-ZDUSSCGKSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1-c1nn[n-]n1 ZINC000737188789 598502766 /nfs/dbraw/zinc/50/27/66/598502766.db2.gz GPLFLXVHOKMVKY-SNVBAGLBSA-N 0 1 387.513 2.074 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1-c1nn[n-]n1 ZINC000737188789 598502768 /nfs/dbraw/zinc/50/27/68/598502768.db2.gz GPLFLXVHOKMVKY-SNVBAGLBSA-N 0 1 387.513 2.074 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCCc2cc3ccccc3[nH]2)cc1-c1nn[nH]n1 ZINC000821976811 607360019 /nfs/dbraw/zinc/36/00/19/607360019.db2.gz DJXOZHGTMMSPRY-UHFFFAOYSA-N 0 1 395.448 2.143 20 0 GEADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738024212 598556669 /nfs/dbraw/zinc/55/66/69/598556669.db2.gz JMIHYNWYBHKZTA-CQSZACIVSA-N 0 1 394.435 2.005 20 0 GEADMN CCN(CC)C(=O)CNCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736529765 598561490 /nfs/dbraw/zinc/56/14/90/598561490.db2.gz QZHDQESKNFZFFB-UHFFFAOYSA-N 0 1 394.479 2.404 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000738145429 598562664 /nfs/dbraw/zinc/56/26/64/598562664.db2.gz LJZULJXTGFOBIA-DGCLKSJQSA-N 0 1 393.398 2.216 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CCN(CC2CC2)CC1 ZINC000738146203 598562928 /nfs/dbraw/zinc/56/29/28/598562928.db2.gz QWCDPMYDRGXCDJ-UHFFFAOYSA-N 0 1 393.398 2.028 20 0 GEADMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000738212663 598568303 /nfs/dbraw/zinc/56/83/03/598568303.db2.gz SSLIRPCOSGYAKL-UHFFFAOYSA-N 0 1 383.375 2.452 20 0 GEADMN CN(CCC1CCCCC1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736793287 598617241 /nfs/dbraw/zinc/61/72/41/598617241.db2.gz WBWMPZBJVMSWAW-QGZVFWFLSA-N 0 1 382.468 2.401 20 0 GEADMN OCCN(Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1-c1nn[nH]n1 ZINC000738393593 598620859 /nfs/dbraw/zinc/62/08/59/598620859.db2.gz KFSAUOXQCRGGCG-UHFFFAOYSA-N 0 1 389.463 2.106 20 0 GEADMN O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737896316 598626602 /nfs/dbraw/zinc/62/66/02/598626602.db2.gz WCXPFDTTZRJFOX-UHFFFAOYSA-N 0 1 382.815 2.125 20 0 GEADMN C[S@](=O)c1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000737173419 598627501 /nfs/dbraw/zinc/62/75/01/598627501.db2.gz YLPAZMITFGIYPU-DEOSSOPVSA-N 0 1 397.869 2.058 20 0 GEADMN C[S@@](=O)c1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000737173424 598627602 /nfs/dbraw/zinc/62/76/02/598627602.db2.gz YLPAZMITFGIYPU-XMMPIXPASA-N 0 1 397.869 2.058 20 0 GEADMN C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000736848950 598685407 /nfs/dbraw/zinc/68/54/07/598685407.db2.gz PMLIRUMETNPBAU-ZDUSSCGKSA-N 0 1 396.426 2.480 20 0 GEADMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000736848950 598685409 /nfs/dbraw/zinc/68/54/09/598685409.db2.gz PMLIRUMETNPBAU-ZDUSSCGKSA-N 0 1 396.426 2.480 20 0 GEADMN C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000736848950 598685411 /nfs/dbraw/zinc/68/54/11/598685411.db2.gz PMLIRUMETNPBAU-ZDUSSCGKSA-N 0 1 396.426 2.480 20 0 GEADMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000736848950 598685413 /nfs/dbraw/zinc/68/54/13/598685413.db2.gz PMLIRUMETNPBAU-ZDUSSCGKSA-N 0 1 396.426 2.480 20 0 GEADMN Fc1cccc(CN(CCN2CCOCC2)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737661728 598700347 /nfs/dbraw/zinc/70/03/47/598700347.db2.gz PHIKBEZYJIGNHG-UHFFFAOYSA-N 0 1 396.470 2.340 20 0 GEADMN CC1(C)COCCN1CCNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21 ZINC000736213666 598771772 /nfs/dbraw/zinc/77/17/72/598771772.db2.gz HWUVLGFHYXYJST-UHFFFAOYSA-N 0 1 389.410 2.216 20 0 GEADMN COC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736981640 598820877 /nfs/dbraw/zinc/82/08/77/598820877.db2.gz ZICLZNLLYBWLIT-RYUDHWBXSA-N 0 1 378.864 2.206 20 0 GEADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000736196545 599307554 /nfs/dbraw/zinc/30/75/54/599307554.db2.gz JNUPOHLSULSRSV-INIZCTEOSA-N 0 1 388.479 2.393 20 0 GEADMN CCOc1cc(C)nc(N2CCN([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736626308 599316345 /nfs/dbraw/zinc/31/63/45/599316345.db2.gz RBROHIURRWVPFT-HNNXBMFYSA-N 0 1 394.483 2.247 20 0 GEADMN C[C@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736159775 599366964 /nfs/dbraw/zinc/36/69/64/599366964.db2.gz ONAVIRTWDUXVTK-QMMMGPOBSA-N 0 1 389.318 2.035 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821970825 599415790 /nfs/dbraw/zinc/41/57/90/599415790.db2.gz SWTPQAHMVQVSHC-CYBMUJFWSA-N 0 1 396.476 2.394 20 0 GEADMN COc1ccc(CN[C@H](c2nnc3ccccn32)C(C)C)cc1-c1nn[nH]n1 ZINC000821803639 599422061 /nfs/dbraw/zinc/42/20/61/599422061.db2.gz GOLCJULJAVVQGH-KRWDZBQOSA-N 0 1 378.440 2.405 20 0 GEADMN C[C@H]([NH2+]C1(CNCc2ccc(-c3nnn[n-]3)o2)CCOCC1)c1ccccc1 ZINC000820412950 599443780 /nfs/dbraw/zinc/44/37/80/599443780.db2.gz NQAGPQFMBMEGKW-HNNXBMFYSA-N 0 1 382.468 2.449 20 0 GEADMN Cc1cccc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n1 ZINC000737392908 599445448 /nfs/dbraw/zinc/44/54/48/599445448.db2.gz AAPNDHKCQGMBMG-UHFFFAOYSA-N 0 1 392.423 2.140 20 0 GEADMN Fc1ccc(N2CCN(CCNc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000822778084 599472814 /nfs/dbraw/zinc/47/28/14/599472814.db2.gz CJTMVWGJZPJAAV-UHFFFAOYSA-N 0 1 385.422 2.379 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCC(C(F)(F)F)CC2)cc1-c1nn[nH]n1 ZINC000821970518 599494936 /nfs/dbraw/zinc/49/49/36/599494936.db2.gz PAUJBMGXQINBAA-UHFFFAOYSA-N 0 1 388.375 2.104 20 0 GEADMN O=S(=O)([N-]c1ccc(CC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738344817 599519141 /nfs/dbraw/zinc/51/91/41/599519141.db2.gz IXMZXRSSCWYFKU-UHFFFAOYSA-N 0 1 398.492 2.306 20 0 GEADMN C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820776710 599531083 /nfs/dbraw/zinc/53/10/83/599531083.db2.gz MWRXWDLLCUMFFY-XJKSGUPXSA-N 0 1 399.886 2.159 20 0 GEADMN C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820776710 599531084 /nfs/dbraw/zinc/53/10/84/599531084.db2.gz MWRXWDLLCUMFFY-XJKSGUPXSA-N 0 1 399.886 2.159 20 0 GEADMN C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1cccs1 ZINC000735525104 599563696 /nfs/dbraw/zinc/56/36/96/599563696.db2.gz JJZLSTXGYMLZFY-NSHDSACASA-N 0 1 399.480 2.246 20 0 GEADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823796461 599565980 /nfs/dbraw/zinc/56/59/80/599565980.db2.gz BRLMMCMJYFGYNO-AWEZNQCLSA-N 0 1 379.468 2.328 20 0 GEADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823796461 599565982 /nfs/dbraw/zinc/56/59/82/599565982.db2.gz BRLMMCMJYFGYNO-AWEZNQCLSA-N 0 1 379.468 2.328 20 0 GEADMN CCOC(=O)CCN(Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)CC1CC1 ZINC000821330565 599570127 /nfs/dbraw/zinc/57/01/27/599570127.db2.gz NTRDEYIVWMGJLI-UHFFFAOYSA-N 0 1 397.439 2.082 20 0 GEADMN O=C(CN(C[C@H]1CCCO1)C1CCCC1)Nc1sccc1-c1nn[nH]n1 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0 GEADMN CN(C)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccc(F)c1 ZINC000821579484 606662676 /nfs/dbraw/zinc/66/26/76/606662676.db2.gz CIEBIRUUSNSWAV-OAHLLOKOSA-N 0 1 390.369 2.317 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cccc(C(F)(F)F)c1 ZINC000821601339 606699866 /nfs/dbraw/zinc/69/98/66/606699866.db2.gz BYABKKZEMPKBCP-UHFFFAOYSA-N 0 1 380.378 2.255 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cccc(C(F)(F)F)c1 ZINC000821601339 606699868 /nfs/dbraw/zinc/69/98/68/606699868.db2.gz BYABKKZEMPKBCP-UHFFFAOYSA-N 0 1 380.378 2.255 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cccc(C(F)(F)F)c1 ZINC000821601339 606699870 /nfs/dbraw/zinc/69/98/70/606699870.db2.gz BYABKKZEMPKBCP-UHFFFAOYSA-N 0 1 380.378 2.255 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cccc(C(F)(F)F)c1 ZINC000821601339 606699872 /nfs/dbraw/zinc/69/98/72/606699872.db2.gz BYABKKZEMPKBCP-UHFFFAOYSA-N 0 1 380.378 2.255 20 0 GEADMN O=C(CN1CC[C@@H](c2ccc(F)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822992665 606717227 /nfs/dbraw/zinc/71/72/27/606717227.db2.gz LOFZNNFTHWPDEF-QGZVFWFLSA-N 0 1 380.427 2.112 20 0 GEADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000443014739 606735399 /nfs/dbraw/zinc/73/53/99/606735399.db2.gz QPEFNXGIYHEIPT-UHFFFAOYSA-N 0 1 398.920 2.015 20 0 GEADMN Oc1ccc(N2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823732318 606884017 /nfs/dbraw/zinc/88/40/17/606884017.db2.gz KNGAOJKMZKUYCR-UHFFFAOYSA-N 0 1 380.452 2.163 20 0 GEADMN O=S(=O)(NCCc1cccc(Cl)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823579069 606885245 /nfs/dbraw/zinc/88/52/45/606885245.db2.gz ZQUQIRFYJGXAOS-UHFFFAOYSA-N 0 1 399.810 2.319 20 0 GEADMN O=S(=O)(N[C@H]1CCc2ccc(F)cc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572155 606890963 /nfs/dbraw/zinc/89/09/63/606890963.db2.gz CNAXQNAKLWLQBQ-AWEZNQCLSA-N 0 1 395.366 2.250 20 0 GEADMN Cc1ccc(CC[C@H](C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)o1 ZINC000822236306 606894432 /nfs/dbraw/zinc/89/44/32/606894432.db2.gz SYTJVSJNULZEJW-VIFPVBQESA-N 0 1 397.407 2.346 20 0 GEADMN C[C@@H](c1cccnc1)N1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820570377 606901947 /nfs/dbraw/zinc/90/19/47/606901947.db2.gz IPZPCGYDRKSBGO-KRWDZBQOSA-N 0 1 393.495 2.409 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000821988246 606914693 /nfs/dbraw/zinc/91/46/93/606914693.db2.gz DIOINEIDDBBPAO-BMIGLBTASA-N 0 1 399.524 2.074 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000821988246 606914694 /nfs/dbraw/zinc/91/46/94/606914694.db2.gz DIOINEIDDBBPAO-BMIGLBTASA-N 0 1 399.524 2.074 20 0 GEADMN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@@H]1N1CCOCC1 ZINC000820766178 606942786 /nfs/dbraw/zinc/94/27/86/606942786.db2.gz AISLJWZYUPNXPY-ABAIWWIYSA-N 0 1 382.390 2.042 20 0 GEADMN Cc1occc1C(=O)NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822553367 606968862 /nfs/dbraw/zinc/96/88/62/606968862.db2.gz KFFQZXYAOXVBTG-UHFFFAOYSA-N 0 1 384.415 2.302 20 0 GEADMN C[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820425998 606986965 /nfs/dbraw/zinc/98/69/65/606986965.db2.gz DSUNPCFUVRUQJB-LBPRGKRZSA-N 0 1 375.429 2.130 20 0 GEADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000821572293 607072048 /nfs/dbraw/zinc/07/20/48/607072048.db2.gz YUOXURNTPSQYMB-CQSZACIVSA-N 0 1 376.436 2.447 20 0 GEADMN CCCC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)CC1 ZINC000821028407 607153865 /nfs/dbraw/zinc/15/38/65/607153865.db2.gz VDQVIIUUTIFQFS-UHFFFAOYSA-N 0 1 397.439 2.344 20 0 GEADMN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000821104548 607154345 /nfs/dbraw/zinc/15/43/45/607154345.db2.gz IFBFVGAIKSRTCC-CYBMUJFWSA-N 0 1 382.472 2.451 20 0 GEADMN Cc1nc(C)c(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)o1 ZINC000822427460 607168173 /nfs/dbraw/zinc/16/81/73/607168173.db2.gz OXUFNQLVMLVTBZ-UHFFFAOYSA-N 0 1 384.783 2.323 20 0 GEADMN CCC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000821023305 607212186 /nfs/dbraw/zinc/21/21/86/607212186.db2.gz XLQCMTASZZLXID-GFCCVEGCSA-N 0 1 395.254 2.423 20 0 GEADMN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821021737 607213556 /nfs/dbraw/zinc/21/35/56/607213556.db2.gz ONADJZIOLMUGAA-MRXNPFEDSA-N 0 1 382.472 2.108 20 0 GEADMN CCC(C)(C)OCc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1C ZINC000820848565 607221384 /nfs/dbraw/zinc/22/13/84/607221384.db2.gz ZHLAJISUIUFINR-UHFFFAOYSA-N 0 1 384.444 2.111 20 0 GEADMN C[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)N1CCc2ccccc2C1 ZINC000820269108 607233415 /nfs/dbraw/zinc/23/34/15/607233415.db2.gz HGWIHWBWUREBLD-LBPRGKRZSA-N 0 1 397.870 2.092 20 0 GEADMN O=S(=O)(CCN1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484765 607814703 /nfs/dbraw/zinc/81/47/03/607814703.db2.gz OJBCZCHIZYZJQD-GOSISDBHSA-N 0 1 397.504 2.348 20 0 GEADMN O=S(=O)(CCN(C1CC1)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484958 607827559 /nfs/dbraw/zinc/82/75/59/607827559.db2.gz WMEXGGDIOGLFGW-UHFFFAOYSA-N 0 1 375.498 2.438 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCC(c3ccccn3)CC2)cc1-c1nn[nH]n1 ZINC000826229838 607835707 /nfs/dbraw/zinc/83/57/07/607835707.db2.gz TXLCEHQNCRVEBS-UHFFFAOYSA-N 0 1 397.464 2.104 20 0 GEADMN CCCCN1C(=O)N=NC1SCc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825296738 607893126 /nfs/dbraw/zinc/89/31/26/607893126.db2.gz URZHZBLVVHVDRQ-UHFFFAOYSA-N 0 1 389.441 2.043 20 0 GEADMN O=C1CCCN1C[C@H](NCc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826480865 607986802 /nfs/dbraw/zinc/98/68/02/607986802.db2.gz VFFHDDWZOKVATP-SFHVURJKSA-N 0 1 380.427 2.459 20 0 GEADMN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000824754578 608012017 /nfs/dbraw/zinc/01/20/17/608012017.db2.gz IOVWNALPZZRLDT-LSDHHAIUSA-N 0 1 397.435 2.435 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(C)s2)c1-c1nnn[n-]1 ZINC000826077780 608019558 /nfs/dbraw/zinc/01/95/58/608019558.db2.gz VSCOSYBTFNIVOO-UHFFFAOYSA-N 0 1 388.501 2.073 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(C)s2)c1-c1nn[n-]n1 ZINC000826077780 608019559 /nfs/dbraw/zinc/01/95/59/608019559.db2.gz VSCOSYBTFNIVOO-UHFFFAOYSA-N 0 1 388.501 2.073 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(F)cc2Cl)c1-c1nnn[n-]1 ZINC000826077660 608019617 /nfs/dbraw/zinc/01/96/17/608019617.db2.gz PQCLMEPRBWYOQH-UHFFFAOYSA-N 0 1 392.826 2.095 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(F)cc2Cl)c1-c1nn[n-]n1 ZINC000826077660 608019618 /nfs/dbraw/zinc/01/96/18/608019618.db2.gz PQCLMEPRBWYOQH-UHFFFAOYSA-N 0 1 392.826 2.095 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC[C@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826077519 608019777 /nfs/dbraw/zinc/01/97/77/608019777.db2.gz KTVGTOMLHPQNEE-ZDUSSCGKSA-N 0 1 382.472 2.264 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826077519 608019778 /nfs/dbraw/zinc/01/97/78/608019778.db2.gz KTVGTOMLHPQNEE-ZDUSSCGKSA-N 0 1 382.472 2.264 20 0 GEADMN COc1ccc2c(c1)CCN([C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000826213287 608037950 /nfs/dbraw/zinc/03/79/50/608037950.db2.gz RQJRPMBRYXCQMW-AWEZNQCLSA-N 0 1 392.463 2.303 20 0 GEADMN COc1ccc(C[C@H](C)CN(C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191959 608065483 /nfs/dbraw/zinc/06/54/83/608065483.db2.gz VPMTYEDYAWEHRB-LIRRHRJNSA-N 0 1 394.479 2.212 20 0 GEADMN CCc1nc([C@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)n[nH]1 ZINC000825740187 608105942 /nfs/dbraw/zinc/10/59/42/608105942.db2.gz QKDZMDVFUASVHI-JTQLQIEISA-N 0 1 385.432 2.217 20 0 GEADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCOCC2(CCOCC2)C1 ZINC000826369917 608133901 /nfs/dbraw/zinc/13/39/01/608133901.db2.gz VNUXAORJJMGWCK-UHFFFAOYSA-N 0 1 395.410 2.097 20 0 GEADMN C[C@H]1CCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000824925487 608145403 /nfs/dbraw/zinc/14/54/03/608145403.db2.gz DDPFCGJCIUAPPT-STQMWFEESA-N 0 1 397.439 2.200 20 0 GEADMN C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826232051 608146301 /nfs/dbraw/zinc/14/63/01/608146301.db2.gz HTWHGXCJIHIMMW-ZDUSSCGKSA-N 0 1 393.451 2.184 20 0 GEADMN CC(C)c1ccc([C@H]2CCCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000824348011 608180119 /nfs/dbraw/zinc/18/01/19/608180119.db2.gz WQXUYLYUKABSFV-MRXNPFEDSA-N 0 1 380.456 2.335 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC000826231220 608201052 /nfs/dbraw/zinc/20/10/52/608201052.db2.gz CAFUFHJGOZPLHA-QWRGUYRKSA-N 0 1 387.513 2.026 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)n[nH]1 ZINC000825740145 608204483 /nfs/dbraw/zinc/20/44/83/608204483.db2.gz ONXMOIBFLHLMKU-MRVPVSSYSA-N 0 1 399.484 2.033 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1-c1nnn[n-]1 ZINC000826332516 608313619 /nfs/dbraw/zinc/31/36/19/608313619.db2.gz WRFHEZOZKYVDBB-PBHICJAKSA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1-c1nnn[n-]1 ZINC000826332516 608313620 /nfs/dbraw/zinc/31/36/20/608313620.db2.gz WRFHEZOZKYVDBB-PBHICJAKSA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1-c1nn[n-]n1 ZINC000826332516 608313622 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398.490 2.491 20 0 GEADMN Cc1ccc([C@@H](CN2CCOCC2)NCc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826284403 608429979 /nfs/dbraw/zinc/42/99/79/608429979.db2.gz SEAWTKIFSYGWPJ-LJQANCHMSA-N 0 1 396.470 2.477 20 0 GEADMN CCCCCn1cc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c(C)n1 ZINC000825281405 608451506 /nfs/dbraw/zinc/45/15/06/608451506.db2.gz DDTOXGMUAOWDMH-UHFFFAOYSA-N 0 1 379.472 2.499 20 0 GEADMN CCOCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825605324 608463955 /nfs/dbraw/zinc/46/39/55/608463955.db2.gz VDPRLELVOIPCLU-OAHLLOKOSA-N 0 1 394.479 2.370 20 0 GEADMN COc1ccccc1CN(C)C(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219952 608467013 /nfs/dbraw/zinc/46/70/13/608467013.db2.gz XAADOQFRAWYRJT-CQSZACIVSA-N 0 1 380.452 2.185 20 0 GEADMN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826211113 608485152 /nfs/dbraw/zinc/48/51/52/608485152.db2.gz PSZBYQJMEURSFD-GFCCVEGCSA-N 0 1 382.424 2.173 20 0 GEADMN CCCCc1nnc(NC(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000825296710 608490010 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FC(F)(F)COCCCN1CCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000891985346 654322114 /nfs/dbraw/zinc/32/21/14/654322114.db2.gz DGWJBFNCDQJVEN-UHFFFAOYSA-N 0 1 378.786 2.097 20 0 GEADMN COCCN(CCC(=O)OC)Cc1ccc(Br)cc1NC(C)=O ZINC000892045366 654326536 /nfs/dbraw/zinc/32/65/36/654326536.db2.gz WDUWWOXDSKNGRF-UHFFFAOYSA-N 0 1 387.274 2.419 20 0 GEADMN O=S(=O)(CCNC[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC000905062217 654328595 /nfs/dbraw/zinc/32/85/95/654328595.db2.gz LKZWNCARSDRRFY-FUHWJXTLSA-N 0 1 383.897 2.188 20 0 GEADMN O=S(=O)(CCNC[C@H](O)C[C@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC000905062216 654328686 /nfs/dbraw/zinc/32/86/86/654328686.db2.gz LKZWNCARSDRRFY-AEFFLSMTSA-N 0 1 383.897 2.188 20 0 GEADMN CC(C)[C@@H](NS(=O)(=O)N=[S@](C)(=O)c1ccccc1F)c1cnn(C)c1 ZINC000921844388 654329759 /nfs/dbraw/zinc/32/97/59/654329759.db2.gz WPZLKINMOQQSCI-OYLFLEFRSA-N 0 1 388.490 2.248 20 0 GEADMN O=[S@@](c1ccc(NS(=O)(=O)N=S2(=O)CCCC2)cc1)C(F)(F)F ZINC000905095796 654330822 /nfs/dbraw/zinc/33/08/22/654330822.db2.gz KKNGFRGCWOJEEG-NRFANRHFSA-N 0 1 390.430 2.233 20 0 GEADMN COC(=O)c1c(C)sc(C)c1NS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000872414349 654331303 /nfs/dbraw/zinc/33/13/03/654331303.db2.gz GESIBECQRBXXIM-MRXNPFEDSA-N 0 1 391.511 2.477 20 0 GEADMN O=S(=O)(N[C@H]([C@H]1CCOC1)C(F)(F)F)c1c(Cl)nc2sccn21 ZINC000921859963 654333445 /nfs/dbraw/zinc/33/34/45/654333445.db2.gz IOBYAICFBVFLTB-NKWVEPMBSA-N 0 1 389.808 2.295 20 0 GEADMN O=S(=O)(N[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1cncc(Br)c1 ZINC000921863198 654335113 /nfs/dbraw/zinc/33/51/13/654335113.db2.gz VMWMQKNNNPCPKM-XCBNKYQSSA-N 0 1 389.193 2.090 20 0 GEADMN CN(C)[C@@H](CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(F)cc1 ZINC000872438584 654335371 /nfs/dbraw/zinc/33/53/71/654335371.db2.gz BKQSYNBELHYPAT-LFVRLGFBSA-N 0 1 379.523 2.159 20 0 GEADMN NS(=O)(=O)C1CCN(c2ccnc3cc(OC(F)(F)F)ccc32)CC1 ZINC000892308022 654339864 /nfs/dbraw/zinc/33/98/64/654339864.db2.gz BMRBUPHZLVKZIR-UHFFFAOYSA-N 0 1 375.372 2.391 20 0 GEADMN COc1cc(C)c(S(=O)(=O)NC[C@H]2CCN2C2CCOCC2)cc1Cl ZINC000921912226 654340879 /nfs/dbraw/zinc/34/08/79/654340879.db2.gz WJIAQCQVHJPYLI-CQSZACIVSA-N 0 1 388.917 2.189 20 0 GEADMN O=S(=O)(NC[C@H]1CCN1C1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000921912233 654340940 /nfs/dbraw/zinc/34/09/40/654340940.db2.gz WKQRXRXHGSYZDJ-HNFVBEJKSA-N 0 1 384.464 2.280 20 0 GEADMN CS(=O)(=O)c1ccc(CNC[C@@H](O)COc2ccc3cc[nH]c3c2)s1 ZINC000905232067 654341959 /nfs/dbraw/zinc/34/19/59/654341959.db2.gz WFKYXSDLIXNDFY-CYBMUJFWSA-N 0 1 380.491 2.162 20 0 GEADMN CC(C)(C)Oc1cccc(CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)n1 ZINC000872468156 654347175 /nfs/dbraw/zinc/34/71/75/654347175.db2.gz QPIHLZGXODBKQW-HSZRJFAPSA-N 0 1 377.532 2.490 20 0 GEADMN O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(CC2CCCCC2)CC1 ZINC000854306866 654349744 /nfs/dbraw/zinc/34/97/44/654349744.db2.gz KQNSKDYLVVSTND-RUZDIDTESA-N 0 1 383.480 2.205 20 0 GEADMN C[C@@H](NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000892528122 654350382 /nfs/dbraw/zinc/35/03/82/654350382.db2.gz PPWRZCZRQOIRAZ-RKDXNWHRSA-N 0 1 396.822 2.314 20 0 GEADMN C[N@@H+](CCc1nnn(C(C)(C)C)n1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905376496 654354648 /nfs/dbraw/zinc/35/46/48/654354648.db2.gz KUGLZAVIWLYLGN-CQSZACIVSA-N 0 1 396.289 2.491 20 0 GEADMN Cc1ccc(/C=C/C(=O)NC[C@H]2CN3CCN2CCC3)c(Br)c1 ZINC000854353828 654355012 /nfs/dbraw/zinc/35/50/12/654355012.db2.gz HAKYQOWIDUIORP-JFDDCEBESA-N 0 1 378.314 2.277 20 0 GEADMN CC(C)(C)NS(=O)(=O)C1([C@H](O)CNCc2cc(O)ccc2Cl)CCC1 ZINC000905438106 654357423 /nfs/dbraw/zinc/35/74/23/654357423.db2.gz POAPMANERNJBLU-OAHLLOKOSA-N 0 1 390.933 2.137 20 0 GEADMN C[C@@H](NC(=S)N1CCC(C(N)=O)(N2CCCCC2)CC1)c1cccs1 ZINC000905522361 654363252 /nfs/dbraw/zinc/36/32/52/654363252.db2.gz JLPWZDPSCAPGHD-CQSZACIVSA-N 0 1 380.583 2.489 20 0 GEADMN COc1cc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)cnc1Br ZINC000854571818 654367504 /nfs/dbraw/zinc/36/75/04/654367504.db2.gz YDKIAKZYGXQBRA-LBPRGKRZSA-N 0 1 398.301 2.178 20 0 GEADMN C[C@H](CNC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000905585115 654367724 /nfs/dbraw/zinc/36/77/24/654367724.db2.gz DAZJKRJKRWRSHT-RISCZKNCSA-N 0 1 388.452 2.341 20 0 GEADMN COC(=O)[C@H](Cc1cncs1)NS(=O)(=O)Cc1cc(F)ccc1Cl ZINC000872544605 654369428 /nfs/dbraw/zinc/36/94/28/654369428.db2.gz FYYPNFWZOSPHKM-ZDUSSCGKSA-N 0 1 392.861 2.139 20 0 GEADMN CCOC(=O)c1ncc(Br)c(N2CCC[C@H](c3n[nH]c(C)n3)C2)n1 ZINC000892921317 654370768 /nfs/dbraw/zinc/37/07/68/654370768.db2.gz RCVQGZWDBFBIQG-JTQLQIEISA-N 0 1 395.261 2.226 20 0 GEADMN CCOC(=O)c1ncc(Br)c(N2CCC[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000892921317 654370770 /nfs/dbraw/zinc/37/07/70/654370770.db2.gz RCVQGZWDBFBIQG-JTQLQIEISA-N 0 1 395.261 2.226 20 0 GEADMN O=S(=O)(N=S1(=O)CCCC1)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872569771 654373136 /nfs/dbraw/zinc/37/31/36/654373136.db2.gz AKDFBBUGZQGPIB-UHFFFAOYSA-N 0 1 391.824 2.350 20 0 GEADMN CCc1nnc(CNC2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000892986706 654374412 /nfs/dbraw/zinc/37/44/12/654374412.db2.gz XPTQFHGNABKTPY-UHFFFAOYSA-N 0 1 380.539 2.185 20 0 GEADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(C(F)(F)Br)nc1 ZINC000854743134 654380393 /nfs/dbraw/zinc/38/03/93/654380393.db2.gz JFUSXYKQSLAVMW-GFCCVEGCSA-N 0 1 392.244 2.102 20 0 GEADMN N[C@@H](c1cn(C[C@@H](O)CCC2(O)CCC2)nn1)c1ccc(Br)cc1 ZINC000905820858 654381663 /nfs/dbraw/zinc/38/16/63/654381663.db2.gz IVAFWNBZCZFUHN-GOEBONIOSA-N 0 1 395.301 2.145 20 0 GEADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H](C)C(OC)OC ZINC000922312541 654382618 /nfs/dbraw/zinc/38/26/18/654382618.db2.gz AGOLSFYCPJFAKO-QWRGUYRKSA-N 0 1 389.290 2.059 20 0 GEADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@@H](C)C(OC)OC ZINC000922312542 654382666 /nfs/dbraw/zinc/38/26/66/654382666.db2.gz AGOLSFYCPJFAKO-WDEREUQCSA-N 0 1 389.290 2.059 20 0 GEADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872635404 654384263 /nfs/dbraw/zinc/38/42/63/654384263.db2.gz PRPXVDHRELJDNP-SSDOTTSWSA-N 0 1 395.384 2.383 20 0 GEADMN COC(=O)CCN1CC[C@H](N[C@@H]2CCOc3ccc(Br)cc32)C1=O ZINC000905854476 654384950 /nfs/dbraw/zinc/38/49/50/654384950.db2.gz WMFWSHZHBSENKF-KGLIPLIRSA-N 0 1 397.269 2.026 20 0 GEADMN COC(=O)CCN1CC[C@@H](N[C@@H]2CCOc3ccc(Br)cc32)C1=O ZINC000905854480 654385040 /nfs/dbraw/zinc/38/50/40/654385040.db2.gz WMFWSHZHBSENKF-ZIAGYGMSSA-N 0 1 397.269 2.026 20 0 GEADMN COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1 ZINC000872662109 654386756 /nfs/dbraw/zinc/38/67/56/654386756.db2.gz BQWXHKDKBGRFPV-KGLIPLIRSA-N 0 1 389.315 2.315 20 0 GEADMN COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1Br ZINC000872666557 654387759 /nfs/dbraw/zinc/38/77/59/654387759.db2.gz VTZKOAZDCRPRCY-KBPBESRZSA-N 0 1 389.315 2.315 20 0 GEADMN CN(C[C@H](O)c1ccccc1Br)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000854894980 654387935 /nfs/dbraw/zinc/38/79/35/654387935.db2.gz MKPYAYWTYWCCBF-BZNIZROVSA-N 0 1 378.270 2.469 20 0 GEADMN CN1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000872666659 654388198 /nfs/dbraw/zinc/38/81/98/654388198.db2.gz XVZZJRQRYRBTTO-OLZOCXBDSA-N 0 1 377.279 2.445 20 0 GEADMN CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000854933845 654389869 /nfs/dbraw/zinc/38/98/69/654389869.db2.gz HSKVQAKAEIZHKC-LRDDRELGSA-N 0 1 378.270 2.469 20 0 GEADMN Cc1nnc([C@@H]2OCC[C@@H]2CNCc2c(Cl)cccc2S(C)(=O)=O)[nH]1 ZINC000922407871 654391045 /nfs/dbraw/zinc/39/10/45/654391045.db2.gz SSUWRFKEGXHGGT-IAQYHMDHSA-N 0 1 384.889 2.037 20 0 GEADMN CS(=O)(=O)c1cccc(Cl)c1CNCC1CCC(S(C)(=O)=O)CC1 ZINC000922417306 654391353 /nfs/dbraw/zinc/39/13/53/654391353.db2.gz AMWVAXTYDHYBHX-UHFFFAOYSA-N 0 1 393.958 2.437 20 0 GEADMN O=C(c1cc(Br)[nH]n1)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000854983507 654392512 /nfs/dbraw/zinc/39/25/12/654392512.db2.gz JHQNZXPFSIXEIY-AOOOYVTPSA-N 0 1 386.152 2.115 20 0 GEADMN COCC[C@@H](CNCc1cn(C)nc1Br)NC(=O)OC(C)(C)C ZINC000922466788 654395592 /nfs/dbraw/zinc/39/55/92/654395592.db2.gz RCEKVLOKDZIRNO-LBPRGKRZSA-N 0 1 391.310 2.202 20 0 GEADMN Cn1ncc(C(F)(F)F)c1CNCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000922469178 654395927 /nfs/dbraw/zinc/39/59/27/654395927.db2.gz DHTPHIURUANASD-UHFFFAOYSA-N 0 1 382.452 2.169 20 0 GEADMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1csc(I)n1 ZINC000855162849 654399039 /nfs/dbraw/zinc/39/90/39/654399039.db2.gz OEOAWOQPIUUZRO-MRVPVSSYSA-N 0 1 379.267 2.350 20 0 GEADMN CCCOc1c(Cl)cc(CNC[C@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC000922615139 654403781 /nfs/dbraw/zinc/40/37/81/654403781.db2.gz KSGLXZDGUJSLMF-QGZVFWFLSA-N 0 1 391.917 2.431 20 0 GEADMN CO[C@@]1(CNCc2ccc(OCC(F)(F)F)c(F)c2)CCS(=O)(=O)C1 ZINC000922619004 654404229 /nfs/dbraw/zinc/40/42/29/654404229.db2.gz KPRNMLKKXDDSPK-CQSZACIVSA-N 0 1 385.379 2.060 20 0 GEADMN COc1cc(Br)cc(CNC(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC000922676419 654407131 /nfs/dbraw/zinc/40/71/31/654407131.db2.gz VXNZHXVTQDLKLM-UHFFFAOYSA-N 0 1 380.246 2.453 20 0 GEADMN C[C@@H](CCS(C)(=O)=O)NCc1cccc(F)c1I ZINC000873079715 654413305 /nfs/dbraw/zinc/41/33/05/654413305.db2.gz YZWOMRXEWIONDM-VIFPVBQESA-N 0 1 385.242 2.343 20 0 GEADMN O=S1(=O)CCC[C@H](CNCc2cccc(F)c2I)C1 ZINC000873126261 654416859 /nfs/dbraw/zinc/41/68/59/654416859.db2.gz CIPLBAPIUMDDOL-SNVBAGLBSA-N 0 1 397.253 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/nfs/dbraw/zinc/69/98/41/532699841.db2.gz OTEWUCCBUBTPDO-UHFFFAOYSA-N 0 1 386.426 2.028 20 0 GEADMN Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1Br ZINC000439599946 532699948 /nfs/dbraw/zinc/69/99/48/532699948.db2.gz WBZADBJKWJZXSL-ZDUSSCGKSA-N 0 1 380.286 2.391 20 0 GEADMN CCOC[C@H](C)CS(=O)(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000641595320 532701487 /nfs/dbraw/zinc/70/14/87/532701487.db2.gz XPPWYHBVMNCAJC-LBPRGKRZSA-N 0 1 386.905 2.260 20 0 GEADMN CCOC[C@@H](C)CS(=O)(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000641595319 532701590 /nfs/dbraw/zinc/70/15/90/532701590.db2.gz XPPWYHBVMNCAJC-GFCCVEGCSA-N 0 1 386.905 2.260 20 0 GEADMN Brc1cnc(CNCCCn2cncn2)c(Br)c1 ZINC000381641361 532701633 /nfs/dbraw/zinc/70/16/33/532701633.db2.gz LZNJHZLTZCUGTC-UHFFFAOYSA-N 0 1 375.068 2.378 20 0 GEADMN Cc1nn(-c2ccc(C(=O)NCCc3nc[nH]n3)cc2)c(C)c1Br ZINC000266069933 532701787 /nfs/dbraw/zinc/70/17/87/532701787.db2.gz CQZWPWLTLQMXON-UHFFFAOYSA-N 0 1 389.257 2.342 20 0 GEADMN COC(=O)CC1(NCc2cc(Br)cs2)CCS(=O)(=O)CC1 ZINC000439282284 532687505 /nfs/dbraw/zinc/68/75/05/532687505.db2.gz ZHHAXVKCONVGSK-UHFFFAOYSA-N 0 1 396.328 2.111 20 0 GEADMN O=S(=O)(NC1CCN(CCc2ccncc2)CC1)c1cncc(Cl)c1 ZINC000378290142 532688987 /nfs/dbraw/zinc/68/89/87/532688987.db2.gz YKRQOSMKEZUWDR-UHFFFAOYSA-N 0 1 380.901 2.115 20 0 GEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137279 532689212 /nfs/dbraw/zinc/68/92/12/532689212.db2.gz FYRFDSHFJKAQJV-XHDPSFHLSA-N 0 1 391.269 2.273 20 0 GEADMN CCOC(=O)c1nc(C)n(C)c1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000569178477 532690134 /nfs/dbraw/zinc/69/01/34/532690134.db2.gz ZKIMJSPJOCBHHA-UHFFFAOYSA-N 0 1 377.344 2.123 20 0 GEADMN CCN(CC)CCS(=O)(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000569174469 532690678 /nfs/dbraw/zinc/69/06/78/532690678.db2.gz XAXJVFYWWQWYRG-UHFFFAOYSA-N 0 1 382.452 2.210 20 0 GEADMN COC(=O)CN(C)C(=O)CCN1CCc2cc(Br)cc(C)c2C1 ZINC000537122333 532703194 /nfs/dbraw/zinc/70/31/94/532703194.db2.gz OQRYIXAAWLRWQU-UHFFFAOYSA-N 0 1 383.286 2.137 20 0 GEADMN CC(C)Oc1cc(Br)cc(NC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000569686864 532703698 /nfs/dbraw/zinc/70/36/98/532703698.db2.gz MDYIJGIRTXKQOQ-MRXNPFEDSA-N 0 1 386.334 2.257 20 0 GEADMN Cc1nc([C@H]2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)n[nH]1 ZINC000572607756 532706699 /nfs/dbraw/zinc/70/66/99/532706699.db2.gz XPHJKESJSVNHNG-ZANVPECISA-N 0 1 382.237 2.031 20 0 GEADMN Cc1nnc([C@H]2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)[nH]1 ZINC000572607756 532706705 /nfs/dbraw/zinc/70/67/05/532706705.db2.gz XPHJKESJSVNHNG-ZANVPECISA-N 0 1 382.237 2.031 20 0 GEADMN C[C@@H](O)CN1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C ZINC000266218282 532708683 /nfs/dbraw/zinc/70/86/83/532708683.db2.gz LBXCEXHVWPHWJE-VXGBXAGGSA-N 0 1 385.295 2.097 20 0 GEADMN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCN(C2CC2)C1 ZINC000299305321 532709199 /nfs/dbraw/zinc/70/91/99/532709199.db2.gz NCGDFLXZIWRKKH-JTQLQIEISA-N 0 1 385.295 2.457 20 0 GEADMN O=S(=O)(NC1(c2nnc[nH]2)CCC1)c1ccc(Br)c(F)c1 ZINC000285804701 532709639 /nfs/dbraw/zinc/70/96/39/532709639.db2.gz YYTSYQRBRCPEJJ-UHFFFAOYSA-N 0 1 375.223 2.064 20 0 GEADMN O=C(NCCN1CCCOCC1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000575227358 532718285 /nfs/dbraw/zinc/71/82/85/532718285.db2.gz ZUVUHFZNPJKGGZ-MRXNPFEDSA-N 0 1 397.317 2.413 20 0 GEADMN C[C@@H]1CO[C@@H](C)CN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408241894 532713518 /nfs/dbraw/zinc/71/35/18/532713518.db2.gz NPBVVBCWMPBUKW-BDAKNGLRSA-N 0 1 385.205 2.417 20 0 GEADMN CC(C)CN1CCO[C@H](CNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000494304048 532717620 /nfs/dbraw/zinc/71/76/20/532717620.db2.gz PTNXIMMUNGXHSP-CYBMUJFWSA-N 0 1 397.317 2.203 20 0 GEADMN CN1CC2(C1)CCN(C(=O)c1cnc3ccc(Br)cc3c1O)C2 ZINC000646020700 532720276 /nfs/dbraw/zinc/72/02/76/532720276.db2.gz YQHJCUGGUBWKCJ-UHFFFAOYSA-N 0 1 376.254 2.068 20 0 GEADMN O=S(=O)(Nc1n[nH]cc1Br)c1cnn(-c2ccccc2F)c1 ZINC000576160322 532725370 /nfs/dbraw/zinc/72/53/70/532725370.db2.gz XOQQMPPVVDPJMG-UHFFFAOYSA-N 0 1 386.206 2.298 20 0 GEADMN CCN(CC)CCN(C(=O)c1ccsc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000613012144 532725462 /nfs/dbraw/zinc/72/54/62/532725462.db2.gz NDSUDOQZTUIEEV-GFCCVEGCSA-N 0 1 378.947 2.373 20 0 GEADMN COc1cccc(Cc2nnc(NC(=O)CSc3nnc(C)[nH]3)s2)c1 ZINC000266810788 532725469 /nfs/dbraw/zinc/72/54/69/532725469.db2.gz FXHMITTYONISLH-UHFFFAOYSA-N 0 1 376.467 2.295 20 0 GEADMN COc1cccc(Cc2nnc(NC(=O)CSc3nc(C)n[nH]3)s2)c1 ZINC000266810788 532725472 /nfs/dbraw/zinc/72/54/72/532725472.db2.gz FXHMITTYONISLH-UHFFFAOYSA-N 0 1 376.467 2.295 20 0 GEADMN COc1ccc(Br)c(CS(=O)(=O)NCCN2CCCCC2)c1 ZINC000409595419 532725786 /nfs/dbraw/zinc/72/57/86/532725786.db2.gz PTACIMVEZRWQSC-UHFFFAOYSA-N 0 1 391.331 2.363 20 0 GEADMN Cc1cc(Br)cc2c1CN(C(=O)NC[C@H]1CN(C)CCN1C)CC2 ZINC000539236085 532726455 /nfs/dbraw/zinc/72/64/55/532726455.db2.gz CJBHJEZZKPSPBK-INIZCTEOSA-N 0 1 395.345 2.071 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)n[nH]1 ZINC000613123299 532726791 /nfs/dbraw/zinc/72/67/91/532726791.db2.gz KYMQGYITLGDUKT-ZCFIWIBFSA-N 0 1 379.218 2.203 20 0 GEADMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000499761275 532727070 /nfs/dbraw/zinc/72/70/70/532727070.db2.gz SBYGESJGDDYQLO-CXAGYDPISA-N 0 1 395.345 2.151 20 0 GEADMN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000286079350 532727519 /nfs/dbraw/zinc/72/75/19/532727519.db2.gz AEXVONUYLNWIAL-YPMHNXCESA-N 0 1 393.285 2.261 20 0 GEADMN C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000576766692 532729015 /nfs/dbraw/zinc/72/90/15/532729015.db2.gz UIZZLIXVTUFKSY-ZDUSSCGKSA-N 0 1 385.917 2.405 20 0 GEADMN CCOC(=O)c1nnc(NC(=O)c2ncc(C(=O)OCC)cc2Cl)s1 ZINC000613561361 532730544 /nfs/dbraw/zinc/73/05/44/532730544.db2.gz HHBCYCVNKSHFJW-UHFFFAOYSA-N 0 1 384.801 2.192 20 0 GEADMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc2c(c1)CC(=O)N2C ZINC000266976619 532730936 /nfs/dbraw/zinc/73/09/36/532730936.db2.gz DKYCAQQICCYRGL-QMMMGPOBSA-N 0 1 380.520 2.315 20 0 GEADMN O=C(CSc1n[nH]c(=S)s1)NCc1ccccc1CN1CCOCC1 ZINC000266975857 532731888 /nfs/dbraw/zinc/73/18/88/532731888.db2.gz NSYGNJWIVQRQRV-UHFFFAOYSA-N 0 1 396.563 2.068 20 0 GEADMN C[C@@H]1CNCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577078973 532732294 /nfs/dbraw/zinc/73/22/94/532732294.db2.gz TVTQRBIAJUVYHC-MRVPVSSYSA-N 0 1 394.191 2.227 20 0 GEADMN C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C[C@H](C)[S@@]1=O ZINC000408441553 532718777 /nfs/dbraw/zinc/71/87/77/532718777.db2.gz IGNYNEQRLNJMTO-OAGDTXMLSA-N 0 1 397.294 2.272 20 0 GEADMN CC(=O)N1CCC(CNCc2ncc(I)s2)CC1 ZINC000286395355 532744485 /nfs/dbraw/zinc/74/44/85/532744485.db2.gz HCSHXDATIWNDFY-UHFFFAOYSA-N 0 1 379.267 2.096 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)n[nH]1 ZINC000286413831 532745229 /nfs/dbraw/zinc/74/52/29/532745229.db2.gz FRSAUFFJBKEJGR-JQWIXIFHSA-N 0 1 393.285 2.405 20 0 GEADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[C@H]1N(C)C ZINC000503234929 532745254 /nfs/dbraw/zinc/74/52/54/532745254.db2.gz VYXLRPOOXMBTDW-ZIAGYGMSSA-N 0 1 398.472 2.294 20 0 GEADMN COc1cc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C)c(OC)c1 ZINC000443415294 532747454 /nfs/dbraw/zinc/74/74/54/532747454.db2.gz FRTXXRRWTPRXOI-UHFFFAOYSA-N 0 1 385.463 2.217 20 0 GEADMN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NO[C@H]1CCCCO1 ZINC000299645358 532733326 /nfs/dbraw/zinc/73/33/26/532733326.db2.gz YXESSNKQOULZIB-HNNXBMFYSA-N 0 1 388.511 2.040 20 0 GEADMN CCOC(=O)[C@@H](NS(=O)(=O)c1nc(C)c(Br)s1)[C@H](C)CC ZINC000540078150 532734845 /nfs/dbraw/zinc/73/48/45/532734845.db2.gz QSAQITSNSBCOEI-APPZFPTMSA-N 0 1 399.332 2.470 20 0 GEADMN CCOC(=O)[C@H](NS(=O)(=O)c1nc(C)c(Br)s1)[C@H](C)CC ZINC000540078156 532735458 /nfs/dbraw/zinc/73/54/58/532735458.db2.gz QSAQITSNSBCOEI-VXNVDRBHSA-N 0 1 399.332 2.470 20 0 GEADMN COc1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCCC2)cn1 ZINC000442948318 532736065 /nfs/dbraw/zinc/73/60/65/532736065.db2.gz WVBVGNNTRKEWTE-UHFFFAOYSA-N 0 1 385.555 2.120 20 0 GEADMN O=C(CCCc1cccc(Br)c1)NC[C@@H]1CN2CCN1CCC2 ZINC000614507426 532738830 /nfs/dbraw/zinc/73/88/30/532738830.db2.gz OMFRRVGOBBXHRX-QGZVFWFLSA-N 0 1 380.330 2.278 20 0 GEADMN 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CC[C@@H](O)[C@H]1CCCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736381606 598897177 /nfs/dbraw/zinc/89/71/77/598897177.db2.gz JDZOQCPVGYYTFG-HUUCEWRRSA-N 0 1 378.864 2.084 20 0 GEADMN CC[C@H](O)[C@@H]1CCCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736381604 598897250 /nfs/dbraw/zinc/89/72/50/598897250.db2.gz JDZOQCPVGYYTFG-GJZGRUSLSA-N 0 1 378.864 2.084 20 0 GEADMN C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736268278 598918858 /nfs/dbraw/zinc/91/88/58/598918858.db2.gz RXIAKDPRPVGQCM-AWEZNQCLSA-N 0 1 380.456 2.255 20 0 GEADMN C[C@H]1CCCCC[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736268278 598918860 /nfs/dbraw/zinc/91/88/60/598918860.db2.gz RXIAKDPRPVGQCM-AWEZNQCLSA-N 0 1 380.456 2.255 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCc2coc3ccccc23)cc1-c1nn[nH]n1 ZINC000737185811 598922443 /nfs/dbraw/zinc/92/24/43/598922443.db2.gz CWWORXQQDUPNDK-UHFFFAOYSA-N 0 1 382.405 2.365 20 0 GEADMN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000735484374 598930785 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0 GEADMN Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)[NH+]2CCCC2)cc1 ZINC000737318390 599027283 /nfs/dbraw/zinc/02/72/83/599027283.db2.gz AKGXXWRYXYPDRQ-GOSISDBHSA-N 0 1 377.452 2.137 20 0 GEADMN Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)[NH+]2CCCC2)cc1 ZINC000737318390 599027285 /nfs/dbraw/zinc/02/72/85/599027285.db2.gz AKGXXWRYXYPDRQ-GOSISDBHSA-N 0 1 377.452 2.137 20 0 GEADMN COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)CC[N@@H+]2C)cc1 ZINC000737075045 599028307 /nfs/dbraw/zinc/02/83/07/599028307.db2.gz IRNCZTQYNJISNY-QAPCUYQASA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)CC[N@H+]2C)cc1 ZINC000737075045 599028309 /nfs/dbraw/zinc/02/83/09/599028309.db2.gz IRNCZTQYNJISNY-QAPCUYQASA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)CC[N@@H+]2C)cc1 ZINC000737075045 599028310 /nfs/dbraw/zinc/02/83/10/599028310.db2.gz IRNCZTQYNJISNY-QAPCUYQASA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)CC[N@H+]2C)cc1 ZINC000737075045 599028312 /nfs/dbraw/zinc/02/83/12/599028312.db2.gz IRNCZTQYNJISNY-QAPCUYQASA-N 0 1 394.435 2.120 20 0 GEADMN C[C@@H]1CN(CCCNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000736285171 599041025 /nfs/dbraw/zinc/04/10/25/599041025.db2.gz ISYQAAWYOTVWPP-GHMZBOCLSA-N 0 1 385.394 2.192 20 0 GEADMN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000737740444 599066818 /nfs/dbraw/zinc/06/68/18/599066818.db2.gz MPZMFKFFYHJOAB-LJQANCHMSA-N 0 1 376.464 2.348 20 0 GEADMN C[C@@]1(c2ccccc2)CCCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229157 599076349 /nfs/dbraw/zinc/07/63/49/599076349.db2.gz KZQDHQJITDIVGG-GHTZIAJQSA-N 0 1 376.464 2.447 20 0 GEADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCSC[C@H]1c1ccccc1 ZINC000738384177 599081751 /nfs/dbraw/zinc/08/17/51/599081751.db2.gz CZJJWQHZTGOXIZ-MJGOQNOKSA-N 0 1 397.504 2.397 20 0 GEADMN C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1cccs1 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CCCN(C(=O)CSCC(=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000739348174 597102253 /nfs/dbraw/zinc/10/22/53/597102253.db2.gz JQUYFTLNGXHHFD-UHFFFAOYSA-N 0 1 380.514 2.119 20 0 GEADMN CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N(C)[C@H](C)C(=O)[O-])c2c1C ZINC000818229273 597126129 /nfs/dbraw/zinc/12/61/29/597126129.db2.gz ILNCJZYJJBGNKP-SNVBAGLBSA-N 0 1 380.470 2.147 20 0 GEADMN O=C([O-])C[N@@H+]1CCC[C@@H]1COC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000819521178 597457151 /nfs/dbraw/zinc/45/71/51/597457151.db2.gz IXTCWXIMRAXXJW-GFCCVEGCSA-N 0 1 390.417 2.245 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000819521178 597457152 /nfs/dbraw/zinc/45/71/52/597457152.db2.gz IXTCWXIMRAXXJW-GFCCVEGCSA-N 0 1 390.417 2.245 20 0 GEADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc2)CC1 ZINC000818207910 597509084 /nfs/dbraw/zinc/50/90/84/597509084.db2.gz SYNFVSVQMIGZOY-QGZVFWFLSA-N 0 1 390.484 2.085 20 0 GEADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)CC1 ZINC000820354352 597509451 /nfs/dbraw/zinc/50/94/51/597509451.db2.gz SYNFVSVQMIGZOY-KRWDZBQOSA-N 0 1 390.484 2.085 20 0 GEADMN CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262641278 597530614 /nfs/dbraw/zinc/53/06/14/597530614.db2.gz JALUEUICSFZYFE-DNVCBOLYSA-N 0 1 376.453 2.068 20 0 GEADMN CC(=O)NCC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)[C@@H](C)C(=O)[O-] ZINC000414673291 597703914 /nfs/dbraw/zinc/70/39/14/597703914.db2.gz CWHGNNCUBOFFBS-ZDUSSCGKSA-N 0 1 378.860 2.245 20 0 GEADMN C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000820106856 597707224 /nfs/dbraw/zinc/70/72/24/597707224.db2.gz ACGSTYPATZAVHT-GXTWGEPZSA-N 0 1 391.443 2.232 20 0 GEADMN C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000820106858 597707390 /nfs/dbraw/zinc/70/73/90/597707390.db2.gz ACGSTYPATZAVHT-OCCSQVGLSA-N 0 1 391.443 2.232 20 0 GEADMN CCc1ccccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000821492561 607322616 /nfs/dbraw/zinc/32/26/16/607322616.db2.gz RMSHYHZXZMJMAS-UHFFFAOYSA-N 0 1 393.451 2.257 20 0 GEADMN CC(=O)Nc1cccc(CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000735488604 598249408 /nfs/dbraw/zinc/24/94/08/598249408.db2.gz KQZNVXIZEHBPHV-UHFFFAOYSA-N 0 1 395.442 2.286 20 0 GEADMN O=C(CCN1CCN(c2ccccc2-c2nn[nH]n2)CC1)Nc1ccccc1F ZINC000737842355 598253631 /nfs/dbraw/zinc/25/36/31/598253631.db2.gz ARYLTKQJQCPCMT-UHFFFAOYSA-N 0 1 395.442 2.157 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000735635736 598257571 /nfs/dbraw/zinc/25/75/71/598257571.db2.gz HSJXBHSTXDWUJC-GFCCVEGCSA-N 0 1 376.436 2.352 20 0 GEADMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000737001595 598330332 /nfs/dbraw/zinc/33/03/32/598330332.db2.gz DHLQVAOUMDOPTO-UHFFFAOYSA-N 0 1 391.435 2.340 20 0 GEADMN Cc1cnn(CC2CCN([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737444828 598368363 /nfs/dbraw/zinc/36/83/63/598368363.db2.gz PQERUULCWTWRGK-OAHLLOKOSA-N 0 1 394.483 2.111 20 0 GEADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CSc1nc(-c2ccccc2)n[nH]1 ZINC000738385340 598370254 /nfs/dbraw/zinc/37/02/54/598370254.db2.gz HTALEVXSCWZIHN-AWEZNQCLSA-N 0 1 395.448 2.184 20 0 GEADMN COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)CN(C)CC(C)(C)C ZINC000736988490 598395720 /nfs/dbraw/zinc/39/57/20/598395720.db2.gz RNMBAZBTBKPOOF-UHFFFAOYSA-N 0 1 391.520 2.238 20 0 GEADMN Cc1nnc(NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)[nH]1 ZINC000737482990 598402558 /nfs/dbraw/zinc/40/25/58/598402558.db2.gz RCDHKBAOYGNBHH-UHFFFAOYSA-N 0 1 380.343 2.477 20 0 GEADMN CC(C)c1nc2c(n1C)CCN(CCC(=O)Nc1ccccc1-c1nn[nH]n1)C2 ZINC000735940509 598403179 /nfs/dbraw/zinc/40/31/79/598403179.db2.gz PPARXBRCSUYWDN-UHFFFAOYSA-N 0 1 394.483 2.111 20 0 GEADMN CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573249 607354447 /nfs/dbraw/zinc/35/44/47/607354447.db2.gz HKNRHWUUTKOXML-UHFFFAOYSA-N 0 1 393.451 2.013 20 0 GEADMN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736250797 598471195 /nfs/dbraw/zinc/47/11/95/598471195.db2.gz MTCQMCXOLQXVGV-RYUDHWBXSA-N 0 1 398.920 2.061 20 0 GEADMN CC(=O)c1cccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1 ZINC000735499222 598503449 /nfs/dbraw/zinc/50/34/49/598503449.db2.gz MOPJNJWWSCTEAE-UHFFFAOYSA-N 0 1 388.387 2.023 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3ncccc3c2)cc1-c1nn[nH]n1 ZINC000737186593 598529125 /nfs/dbraw/zinc/52/91/25/598529125.db2.gz KACACKAXLHLRST-UHFFFAOYSA-N 0 1 379.405 2.490 20 0 GEADMN CC(C)CN1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000735835736 598559801 /nfs/dbraw/zinc/55/98/01/598559801.db2.gz MJJXDTHLAUSCMA-UHFFFAOYSA-N 0 1 395.414 2.274 20 0 GEADMN CCN(CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736537051 598621610 /nfs/dbraw/zinc/62/16/10/598621610.db2.gz PUNVUWHFLVGNKM-IBGZPJMESA-N 0 1 392.463 2.373 20 0 GEADMN O=C(COc1ccccc1-c1nn[nH]n1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737930140 598626140 /nfs/dbraw/zinc/62/61/40/598626140.db2.gz NEPDTUGXRZAPRV-UHFFFAOYSA-N 0 1 383.799 2.092 20 0 GEADMN Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000737279270 598627527 /nfs/dbraw/zinc/62/75/27/598627527.db2.gz IMALDTHOBUPYHG-CYBMUJFWSA-N 0 1 379.424 2.253 20 0 GEADMN Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000737279270 598627529 /nfs/dbraw/zinc/62/75/29/598627529.db2.gz IMALDTHOBUPYHG-CYBMUJFWSA-N 0 1 379.424 2.253 20 0 GEADMN CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736572628 598694436 /nfs/dbraw/zinc/69/44/36/598694436.db2.gz ZDSSRSWCSINDDA-AWEZNQCLSA-N 0 1 383.456 2.163 20 0 GEADMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736572628 598694439 /nfs/dbraw/zinc/69/44/39/598694439.db2.gz ZDSSRSWCSINDDA-AWEZNQCLSA-N 0 1 383.456 2.163 20 0 GEADMN CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736572628 598694440 /nfs/dbraw/zinc/69/44/40/598694440.db2.gz ZDSSRSWCSINDDA-AWEZNQCLSA-N 0 1 383.456 2.163 20 0 GEADMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736572628 598694442 /nfs/dbraw/zinc/69/44/42/598694442.db2.gz ZDSSRSWCSINDDA-AWEZNQCLSA-N 0 1 383.456 2.163 20 0 GEADMN CC[C@H]1CN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H](C)O1 ZINC000736407406 598706568 /nfs/dbraw/zinc/70/65/68/598706568.db2.gz GSTAVSQAWJLCIY-YPMHNXCESA-N 0 1 378.864 2.348 20 0 GEADMN C[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737194957 598708123 /nfs/dbraw/zinc/70/81/23/598708123.db2.gz XVYFPNJSMZOCMD-CQSZACIVSA-N 0 1 397.508 2.073 20 0 GEADMN CN1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736859735 598718128 /nfs/dbraw/zinc/71/81/28/598718128.db2.gz IJBISUXNINAMNJ-UHFFFAOYSA-N 0 1 378.436 2.437 20 0 GEADMN CC(C)N(C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)C1CCCC1 ZINC000735850763 598718843 /nfs/dbraw/zinc/71/88/43/598718843.db2.gz HFEOORSLUXQOKV-UHFFFAOYSA-N 0 1 380.452 2.361 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2nc(-c3ccsc3)no2)c2ccccc12 ZINC000738372791 598720825 /nfs/dbraw/zinc/72/08/25/598720825.db2.gz VUJBQXPZFYFSMY-UHFFFAOYSA-N 0 1 377.389 2.341 20 0 GEADMN C[C@H]([C@H](C)Nc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)N1CCOCC1 ZINC000736136688 598771776 /nfs/dbraw/zinc/77/17/76/598771776.db2.gz GOFKENBRCLUTBQ-WDEREUQCSA-N 0 1 389.410 2.214 20 0 GEADMN C[C@@H](C(=O)N1CCCCC1)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735517488 598780435 /nfs/dbraw/zinc/78/04/35/598780435.db2.gz BKUDPRCCZDGQET-HNNXBMFYSA-N 0 1 384.484 2.111 20 0 GEADMN CCc1cc(CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)n[nH]1 ZINC000736674663 598783014 /nfs/dbraw/zinc/78/30/14/598783014.db2.gz FLRMHDXJWZUSLA-UHFFFAOYSA-N 0 1 378.343 2.075 20 0 GEADMN O=C(CCN(Cc1ccco1)C[C@H]1CCCO1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964908 599306991 /nfs/dbraw/zinc/30/69/91/599306991.db2.gz SREONIUTFMHXKP-GOSISDBHSA-N 0 1 396.451 2.470 20 0 GEADMN C[C@H]1CC[C@H](CCC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820684086 599311312 /nfs/dbraw/zinc/31/13/12/599311312.db2.gz LWVPQBPBUJWLLM-QFBILLFUSA-N 0 1 398.511 2.249 20 0 GEADMN O=C1O[C@@H](Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)CN1c1ccccc1 ZINC000738318528 599340728 /nfs/dbraw/zinc/34/07/28/599340728.db2.gz KCZWNWYYMKCEIY-AWEZNQCLSA-N 0 1 388.387 2.207 20 0 GEADMN C[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820432946 599371899 /nfs/dbraw/zinc/37/18/99/599371899.db2.gz UIGLKESYCGFXKH-HNNXBMFYSA-N 0 1 392.463 2.190 20 0 GEADMN C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820432947 599372000 /nfs/dbraw/zinc/37/20/00/599372000.db2.gz UIGLKESYCGFXKH-OAHLLOKOSA-N 0 1 392.463 2.190 20 0 GEADMN COc1ccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805322 599406460 /nfs/dbraw/zinc/40/64/60/599406460.db2.gz TYOSTAFMNQMDIV-SFHVURJKSA-N 0 1 392.463 2.329 20 0 GEADMN COc1ccnc(N2CCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)c1 ZINC000737160262 599429583 /nfs/dbraw/zinc/42/95/83/599429583.db2.gz XMUAYJQDBYCTHK-UHFFFAOYSA-N 0 1 388.435 2.145 20 0 GEADMN C[C@@H]([NH2+]C1(CNCc2ccc(-c3nnn[n-]3)o2)CCOCC1)c1ccccc1 ZINC000820412951 599443996 /nfs/dbraw/zinc/44/39/96/599443996.db2.gz NQAGPQFMBMEGKW-OAHLLOKOSA-N 0 1 382.468 2.449 20 0 GEADMN COC(=O)COc1c(C)cc(CNCc2cc(-c3nn[nH]n3)ccc2F)cc1C ZINC000821662930 599458328 /nfs/dbraw/zinc/45/83/28/599458328.db2.gz ZSBOAIZINCVJHA-UHFFFAOYSA-N 0 1 399.426 2.464 20 0 GEADMN COc1ccc(OCCN2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000821842165 599465739 /nfs/dbraw/zinc/46/57/39/599465739.db2.gz PRSZKBCEYISEGB-UHFFFAOYSA-N 0 1 398.442 2.215 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1cccc(Cl)c1O ZINC000737033873 599494117 /nfs/dbraw/zinc/49/41/17/599494117.db2.gz VJEWFQISGQBADM-UHFFFAOYSA-N 0 1 375.772 2.252 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1-c1nn[nH]n1 ZINC000821969553 599494492 /nfs/dbraw/zinc/49/44/92/599494492.db2.gz BJUQJADWVWOGAS-CYBMUJFWSA-N 0 1 386.412 2.416 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1-c1nn[nH]n1 ZINC000737187759 599495716 /nfs/dbraw/zinc/49/57/16/599495716.db2.gz UESWNGXPMNKZLM-OTYXRUKQSA-N 0 1 382.449 2.353 20 0 GEADMN CC1(C)COCCN1CCNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21 ZINC000820606746 599523585 /nfs/dbraw/zinc/52/35/85/599523585.db2.gz BSYBHNMAIHIOIV-UHFFFAOYSA-N 0 1 387.875 2.013 20 0 GEADMN C[C@H]([C@H](C)Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)N1CCOCC1 ZINC000820452139 599527931 /nfs/dbraw/zinc/52/79/31/599527931.db2.gz ZZSZAVUNPOLYDH-NWDGAFQWSA-N 0 1 387.875 2.011 20 0 GEADMN C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820776707 599531196 /nfs/dbraw/zinc/53/11/96/599531196.db2.gz MWRXWDLLCUMFFY-BBRMVZONSA-N 0 1 399.886 2.159 20 0 GEADMN C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000820776707 599531198 /nfs/dbraw/zinc/53/11/98/599531198.db2.gz MWRXWDLLCUMFFY-BBRMVZONSA-N 0 1 399.886 2.159 20 0 GEADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224828 599554537 /nfs/dbraw/zinc/55/45/37/599554537.db2.gz BDYHUOLLCRBYQW-QAPCUYQASA-N 0 1 391.479 2.387 20 0 GEADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000736224828 599554540 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GXEJWEVOBKRPFH-INIZCTEOSA-N 0 1 392.459 2.305 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000736583746 600322582 /nfs/dbraw/zinc/32/25/82/600322582.db2.gz BFWYGSVLFVLQKC-CYBMUJFWSA-N 0 1 387.411 2.099 20 0 GEADMN O=C([O-])CC[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000652474494 600325106 /nfs/dbraw/zinc/32/51/06/600325106.db2.gz ALCYMLWCGVHUIV-UHFFFAOYSA-N 0 1 398.431 2.220 20 0 GEADMN O=C([O-])CC[N@@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000652474494 600325110 /nfs/dbraw/zinc/32/51/10/600325110.db2.gz ALCYMLWCGVHUIV-UHFFFAOYSA-N 0 1 398.431 2.220 20 0 GEADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000739278565 600325586 /nfs/dbraw/zinc/32/55/86/600325586.db2.gz QDEWUAKHHITLPV-KSSFIOAISA-N 0 1 381.432 2.362 20 0 GEADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422589938 600327411 /nfs/dbraw/zinc/32/74/11/600327411.db2.gz MVKSMJXQWMFIMK-CQSZACIVSA-N 0 1 379.432 2.233 20 0 GEADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736474164 600327431 /nfs/dbraw/zinc/32/74/31/600327431.db2.gz KBKOLOGZLLNLMD-GFCCVEGCSA-N 0 1 381.860 2.213 20 0 GEADMN NS(=O)(=O)c1ccc(CC[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739188193 600328422 /nfs/dbraw/zinc/32/84/22/600328422.db2.gz DRXKXQKGHUDEOJ-UHFFFAOYSA-N 0 1 398.431 2.132 20 0 GEADMN CC[C@H]1C[N@H+](CCC(=O)Nc2sc(C(=O)[O-])c(C)c2C(=O)OC)C[C@@H](C)O1 ZINC000736944007 600331476 /nfs/dbraw/zinc/33/14/76/600331476.db2.gz ROIRAPCWZTXISB-PWSUYJOCSA-N 0 1 398.481 2.369 20 0 GEADMN CC[C@H]1C[N@@H+](CCC(=O)Nc2sc(C(=O)[O-])c(C)c2C(=O)OC)C[C@@H](C)O1 ZINC000736944007 600331479 /nfs/dbraw/zinc/33/14/79/600331479.db2.gz ROIRAPCWZTXISB-PWSUYJOCSA-N 0 1 398.481 2.369 20 0 GEADMN COCC[N@@H+]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000737813907 600338353 /nfs/dbraw/zinc/33/83/53/600338353.db2.gz SWYNMDCAJWFERI-AWEZNQCLSA-N 0 1 379.457 2.356 20 0 GEADMN 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C[C@@H](CNC(=O)[O-])[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000738941755 602555816 /nfs/dbraw/zinc/55/58/16/602555816.db2.gz UMQSROZJYNRTST-HOCLYGCPSA-N 0 1 391.468 2.099 20 0 GEADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000738941755 602555817 /nfs/dbraw/zinc/55/58/17/602555817.db2.gz UMQSROZJYNRTST-HOCLYGCPSA-N 0 1 391.468 2.099 20 0 GEADMN COc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1NC(=O)[O-] ZINC000739918681 602586002 /nfs/dbraw/zinc/58/60/02/602586002.db2.gz LNEOGCSGHJNJPF-AWEZNQCLSA-N 0 1 378.429 2.114 20 0 GEADMN C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C[C@H](C)O1 ZINC000739179031 602609356 /nfs/dbraw/zinc/60/93/56/602609356.db2.gz BMJUYKXCIKKEEW-GASCZTMLSA-N 0 1 390.484 2.344 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1F ZINC000740236076 602624774 /nfs/dbraw/zinc/62/47/74/602624774.db2.gz JBCWYJVEXRGGPV-OAHLLOKOSA-N 0 1 389.431 2.461 20 0 GEADMN 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DMZWWXFYDLUTPL-UHFFFAOYSA-N 0 1 383.876 2.299 20 0 GEADMN COc1cc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)ccc1SC ZINC000739859317 602735431 /nfs/dbraw/zinc/73/54/31/602735431.db2.gz KXBWTESBYHADKG-AWEZNQCLSA-N 0 1 381.498 2.013 20 0 GEADMN C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(OC)c1 ZINC000739213051 602760028 /nfs/dbraw/zinc/76/00/28/602760028.db2.gz VWOTYAQYVBPLLI-GVLYQFPPSA-N 0 1 378.469 2.446 20 0 GEADMN C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c(OC)c1 ZINC000739213052 602760191 /nfs/dbraw/zinc/76/01/91/602760191.db2.gz VWOTYAQYVBPLLI-HDYRHIKSSA-N 0 1 378.469 2.446 20 0 GEADMN C[C@H]1C[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739178340 602762062 /nfs/dbraw/zinc/76/20/62/602762062.db2.gz YRILJCKQFZVAIF-QFBILLFUSA-N 0 1 389.496 2.172 20 0 GEADMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000739781664 602763565 /nfs/dbraw/zinc/76/35/65/602763565.db2.gz CUOOIDQDINFONH-KCQAQPDRSA-N 0 1 377.441 2.087 20 0 GEADMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000739781664 602763567 /nfs/dbraw/zinc/76/35/67/602763567.db2.gz CUOOIDQDINFONH-KCQAQPDRSA-N 0 1 377.441 2.087 20 0 GEADMN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000829182741 602770784 /nfs/dbraw/zinc/77/07/84/602770784.db2.gz QYNBJQOESZHGLQ-MNOVXSKESA-N 0 1 383.832 2.032 20 0 GEADMN C[C@H]1C[N@@H+](CCN2c3cccc4cccc(c34)S2(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739184244 602771356 /nfs/dbraw/zinc/77/13/56/602771356.db2.gz WJQALKLWVFEIEC-DZGCQCFKSA-N 0 1 389.477 2.327 20 0 GEADMN CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]3CNC(=O)[O-])cc2F)CC1 ZINC000739459329 602773057 /nfs/dbraw/zinc/77/30/57/602773057.db2.gz LRKCPPHNNKSMGD-NVXWUHKLSA-N 0 1 392.475 2.134 20 0 GEADMN CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738867891 602785396 /nfs/dbraw/zinc/78/53/96/602785396.db2.gz XSGLGFSZELUMTL-YJBOKZPZSA-N 0 1 377.485 2.111 20 0 GEADMN CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738863809 602789155 /nfs/dbraw/zinc/78/91/55/602789155.db2.gz QNIGBDBPIGZODX-MAUKXSAKSA-N 0 1 377.485 2.206 20 0 GEADMN CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738863809 602789158 /nfs/dbraw/zinc/78/91/58/602789158.db2.gz QNIGBDBPIGZODX-MAUKXSAKSA-N 0 1 377.485 2.206 20 0 GEADMN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179062 602792428 /nfs/dbraw/zinc/79/24/28/602792428.db2.gz UNZMQBRLJMVUBM-IPYPFGDCSA-N 0 1 377.441 2.153 20 0 GEADMN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179062 602792429 /nfs/dbraw/zinc/79/24/29/602792429.db2.gz UNZMQBRLJMVUBM-IPYPFGDCSA-N 0 1 377.441 2.153 20 0 GEADMN COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)C(C)C)cc1 ZINC000739893736 602798102 /nfs/dbraw/zinc/79/81/02/602798102.db2.gz LBYFYNYRIMTGQF-LSBZLQRGSA-N 0 1 377.485 2.487 20 0 GEADMN COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)C(C)C)cc1 ZINC000739893736 602798104 /nfs/dbraw/zinc/79/81/04/602798104.db2.gz LBYFYNYRIMTGQF-LSBZLQRGSA-N 0 1 377.485 2.487 20 0 GEADMN C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[C@H]1NC(=O)[O-] ZINC000739135310 602829364 /nfs/dbraw/zinc/82/93/64/602829364.db2.gz MDMOUTLMNVJOJS-BHIYHBOVSA-N 0 1 388.512 2.239 20 0 GEADMN Cc1ccc(Br)cc1C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000740105623 602851807 /nfs/dbraw/zinc/85/18/07/602851807.db2.gz JTZGPAZURHPTRX-UHFFFAOYSA-N 0 1 384.274 2.173 20 0 GEADMN C[C@H]1CN(C(=O)[O-])CC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000739152889 602862548 /nfs/dbraw/zinc/86/25/48/602862548.db2.gz GWKVAAJTVSAZMR-NSHDSACASA-N 0 1 380.242 2.406 20 0 GEADMN C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654552 602925073 /nfs/dbraw/zinc/92/50/73/602925073.db2.gz KNBZCBDSOISQEF-APWZRJJASA-N 0 1 390.528 2.116 20 0 GEADMN 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GEADMN CC[NH+](CC)CCO[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821189108 606140754 /nfs/dbraw/zinc/14/07/54/606140754.db2.gz HXRZVIYJCOYCCE-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN CC[NH+](CC)CCO[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821189108 606140755 /nfs/dbraw/zinc/14/07/55/606140755.db2.gz HXRZVIYJCOYCCE-OAHLLOKOSA-N 0 1 381.484 2.352 20 0 GEADMN O=S(=O)(N[C@H](c1nnc[nH]1)c1ccccc1)c1cncc(Br)c1 ZINC000445713906 649964504 /nfs/dbraw/zinc/96/45/04/649964504.db2.gz KZJZEKWRDJELEX-ZDUSSCGKSA-N 0 1 394.254 2.030 20 0 GEADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678781 606189017 /nfs/dbraw/zinc/18/90/17/606189017.db2.gz YJMOIHIIHKGLMU-KMFMINBZSA-N 0 1 375.498 2.293 20 0 GEADMN Cc1nc([C@H]2CN(c3c(-c4nn[nH]n4)cnc4ccc(Cl)cc43)CCO2)n[nH]1 ZINC000822419024 606199120 /nfs/dbraw/zinc/19/91/20/606199120.db2.gz LGGLVDYJNWZXMC-CQSZACIVSA-N 0 1 397.830 2.073 20 0 GEADMN Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(-c4nn[nH]n4)ccc3O)cc2)co1 ZINC000822419746 606212454 /nfs/dbraw/zinc/21/24/54/606212454.db2.gz UAILJTPJHQAYMW-UHFFFAOYSA-N 0 1 398.404 2.337 20 0 GEADMN O=C(NCc1cnc[nH]1)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000823229326 606279155 /nfs/dbraw/zinc/27/91/55/606279155.db2.gz LUHVDTCHNZFCAO-UHFFFAOYSA-N 0 1 375.392 2.099 20 0 GEADMN O=C(NCc1c[nH]nn1)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000823229442 606298100 /nfs/dbraw/zinc/29/81/00/606298100.db2.gz RQLUYNPSGACKMQ-UHFFFAOYSA-N 0 1 378.421 2.066 20 0 GEADMN COc1cccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821858312 606302112 /nfs/dbraw/zinc/30/21/12/606302112.db2.gz FDPFGQSGEORALI-ABAIWWIYSA-N 0 1 384.465 2.393 20 0 GEADMN Fc1ccc([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCOCC2)cc1 ZINC000822766884 606406222 /nfs/dbraw/zinc/40/62/22/606406222.db2.gz PJNRYAHSEIMNFV-INIZCTEOSA-N 0 1 388.472 2.230 20 0 GEADMN Fc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCOCC2)cc1 ZINC000822766884 606406223 /nfs/dbraw/zinc/40/62/23/606406223.db2.gz PJNRYAHSEIMNFV-INIZCTEOSA-N 0 1 388.472 2.230 20 0 GEADMN Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCOCC2)s1 ZINC000822230388 606418174 /nfs/dbraw/zinc/41/81/74/606418174.db2.gz FELFYKDNBAAOJB-AWEZNQCLSA-N 0 1 390.538 2.461 20 0 GEADMN Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCOCC2)s1 ZINC000822230388 606418176 /nfs/dbraw/zinc/41/81/76/606418176.db2.gz FELFYKDNBAAOJB-AWEZNQCLSA-N 0 1 390.538 2.461 20 0 GEADMN CCC[C@H]1C[C@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821033676 606442094 /nfs/dbraw/zinc/44/20/94/606442094.db2.gz DITKCGNSLJZUEN-ZWKOTPCHSA-N 0 1 383.500 2.273 20 0 GEADMN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823170767 606511294 /nfs/dbraw/zinc/51/12/94/606511294.db2.gz HWSZOKNMKHKOGP-UHFFFAOYSA-N 0 1 392.554 2.410 20 0 GEADMN COC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000821684806 606520779 /nfs/dbraw/zinc/52/07/79/606520779.db2.gz LDQHWNXCASEKOM-GFCCVEGCSA-N 0 1 390.513 2.246 20 0 GEADMN COC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000821684806 606520781 /nfs/dbraw/zinc/52/07/81/606520781.db2.gz LDQHWNXCASEKOM-GFCCVEGCSA-N 0 1 390.513 2.246 20 0 GEADMN C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821584897 606538337 /nfs/dbraw/zinc/53/83/37/606538337.db2.gz XEEOIDDPHPZALZ-UHFFFAOYSA-N 0 1 385.453 2.071 20 0 GEADMN C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821584897 606538339 /nfs/dbraw/zinc/53/83/39/606538339.db2.gz XEEOIDDPHPZALZ-UHFFFAOYSA-N 0 1 385.453 2.071 20 0 GEADMN CCCn1c(=O)[nH]nc1SCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821147371 606588386 /nfs/dbraw/zinc/58/83/86/606588386.db2.gz FJIVHYZXANGQKT-UHFFFAOYSA-N 0 1 383.384 2.468 20 0 GEADMN C[C@@H]1CC/C(=C/C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000820678737 606618916 /nfs/dbraw/zinc/61/89/16/606618916.db2.gz XUFMLCIGCCLHDX-NPRUJURCSA-N 0 1 383.456 2.127 20 0 GEADMN CN(CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@H]1CCOC1 ZINC000821593706 606621758 /nfs/dbraw/zinc/62/17/58/606621758.db2.gz GLMHNLWFQPLVFR-GFCCVEGCSA-N 0 1 390.513 2.104 20 0 GEADMN CC1CCC(N2CCN(C(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC000820690809 606679695 /nfs/dbraw/zinc/67/96/95/606679695.db2.gz RWMAMNIBUSJXKE-UHFFFAOYSA-N 0 1 390.438 2.481 20 0 GEADMN CCC1(CC)CCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820956588 606705135 /nfs/dbraw/zinc/70/51/35/606705135.db2.gz JGSKVVGNXFXRHX-UHFFFAOYSA-N 0 1 397.483 2.101 20 0 GEADMN CCCc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821138617 606779036 /nfs/dbraw/zinc/77/90/36/606779036.db2.gz CXABHWNEJDOEBW-HNNXBMFYSA-N 0 1 378.484 2.320 20 0 GEADMN CCCc1ccc(C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821138617 606779037 /nfs/dbraw/zinc/77/90/37/606779037.db2.gz CXABHWNEJDOEBW-HNNXBMFYSA-N 0 1 378.484 2.320 20 0 GEADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCCOc1ccccc1 ZINC000820788506 606782105 /nfs/dbraw/zinc/78/21/05/606782105.db2.gz IQKZIKXPGALSEL-MRXNPFEDSA-N 0 1 394.483 2.026 20 0 GEADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCCOc1ccccc1 ZINC000820788506 606782106 /nfs/dbraw/zinc/78/21/06/606782106.db2.gz IQKZIKXPGALSEL-MRXNPFEDSA-N 0 1 394.483 2.026 20 0 GEADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCCCOc1ccccc1 ZINC000820788506 606782107 /nfs/dbraw/zinc/78/21/07/606782107.db2.gz IQKZIKXPGALSEL-MRXNPFEDSA-N 0 1 394.483 2.026 20 0 GEADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCCCOc1ccccc1 ZINC000820788506 606782108 /nfs/dbraw/zinc/78/21/08/606782108.db2.gz IQKZIKXPGALSEL-MRXNPFEDSA-N 0 1 394.483 2.026 20 0 GEADMN O=C(CCN1CC(c2nc3ccccc3[nH]2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964880 606846730 /nfs/dbraw/zinc/84/67/30/606846730.db2.gz RUDNCVCFAJKUIL-UHFFFAOYSA-N 0 1 388.435 2.171 20 0 GEADMN O=S(=O)(NCCc1ccc(Cl)cc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578296 606883382 /nfs/dbraw/zinc/88/33/82/606883382.db2.gz LEWQTGSBQWCIAN-UHFFFAOYSA-N 0 1 399.810 2.319 20 0 GEADMN C[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000820276167 606884339 /nfs/dbraw/zinc/88/43/39/606884339.db2.gz TVJGQZPVKKWYMN-JTQLQIEISA-N 0 1 379.392 2.227 20 0 GEADMN O=S(=O)(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572778 606894877 /nfs/dbraw/zinc/89/48/77/606894877.db2.gz MCXSWSHJQWPWSG-CKYFFXLPSA-N 0 1 383.424 2.392 20 0 GEADMN O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363903 606917900 /nfs/dbraw/zinc/91/79/00/606917900.db2.gz RARIWFMWCOUVJK-UHFFFAOYSA-N 0 1 398.492 2.385 20 0 GEADMN Cc1ccc(-c2n[nH]c(NC(=O)CSCc3ccc(-c4nn[nH]n4)cc3)n2)o1 ZINC000822213987 606967927 /nfs/dbraw/zinc/96/79/27/606967927.db2.gz KHTUYJJZFQCRDP-UHFFFAOYSA-N 0 1 396.436 2.425 20 0 GEADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821637862 607014433 /nfs/dbraw/zinc/01/44/33/607014433.db2.gz WUCIEIGCDLNIJL-CHWSQXEVSA-N 0 1 386.481 2.187 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4nccnc4-c4nnn[n-]4)CC[C@@H]32)cc1 ZINC000823779329 607032148 /nfs/dbraw/zinc/03/21/48/607032148.db2.gz ANKBJYNUUFCXSZ-SJORKVTESA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4nccnc4-c4nnn[n-]4)CC[C@@H]32)cc1 ZINC000823779329 607032150 /nfs/dbraw/zinc/03/21/50/607032150.db2.gz ANKBJYNUUFCXSZ-SJORKVTESA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4nccnc4-c4nn[n-]n4)CC[C@@H]32)cc1 ZINC000823779329 607032151 /nfs/dbraw/zinc/03/21/51/607032151.db2.gz ANKBJYNUUFCXSZ-SJORKVTESA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4nccnc4-c4nn[n-]n4)CC[C@@H]32)cc1 ZINC000823779329 607032154 /nfs/dbraw/zinc/03/21/54/607032154.db2.gz ANKBJYNUUFCXSZ-SJORKVTESA-N 0 1 376.468 2.148 20 0 GEADMN CN(C)Cc1ccnc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821588420 607054890 /nfs/dbraw/zinc/05/48/90/607054890.db2.gz RLGOJJXGXCDXIQ-UHFFFAOYSA-N 0 1 381.440 2.119 20 0 GEADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821637452 607087457 /nfs/dbraw/zinc/08/74/57/607087457.db2.gz GQQJGPFXVKNQCZ-OLZOCXBDSA-N 0 1 386.481 2.187 20 0 GEADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820958710 607106611 /nfs/dbraw/zinc/10/66/11/607106611.db2.gz XQPIBMFBKMEIKD-IRXDYDNUSA-N 0 1 386.500 2.008 20 0 GEADMN O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823707212 607129361 /nfs/dbraw/zinc/12/93/61/607129361.db2.gz XHNGJXJEANHUKD-GHMZBOCLSA-N 0 1 383.909 2.156 20 0 GEADMN O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823707212 607129362 /nfs/dbraw/zinc/12/93/62/607129362.db2.gz XHNGJXJEANHUKD-GHMZBOCLSA-N 0 1 383.909 2.156 20 0 GEADMN CCc1cc(C)c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000821471264 607145516 /nfs/dbraw/zinc/14/55/16/607145516.db2.gz XPDRGTIHDVMJKD-UHFFFAOYSA-N 0 1 397.439 2.158 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCCc2c(C)cccc2C)cc1-c1nn[nH]n1 ZINC000821976812 607160861 /nfs/dbraw/zinc/16/08/61/607160861.db2.gz DKFKRZGDWZCOEO-UHFFFAOYSA-N 0 1 384.465 2.279 20 0 GEADMN O=C(CCn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000822986801 607161840 /nfs/dbraw/zinc/16/18/40/607161840.db2.gz LPCQFMYRQWLHCU-UHFFFAOYSA-N 0 1 376.380 2.279 20 0 GEADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@H](C)O1 ZINC000820761322 607202605 /nfs/dbraw/zinc/20/26/05/607202605.db2.gz XBMHAKLGKNMFCX-RYUDHWBXSA-N 0 1 393.879 2.141 20 0 GEADMN CCC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000821023119 607212277 /nfs/dbraw/zinc/21/22/77/607212277.db2.gz WYEJFQKNFPDFPP-GFCCVEGCSA-N 0 1 394.361 2.135 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000823125736 607212579 /nfs/dbraw/zinc/21/25/79/607212579.db2.gz CLXAJGSFZNFFLX-UHFFFAOYSA-N 0 1 386.847 2.087 20 0 GEADMN Cc1c2ccccc2oc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(C)C ZINC000822020319 607216734 /nfs/dbraw/zinc/21/67/34/607216734.db2.gz AFKSAJZCZWUDFI-OAHLLOKOSA-N 0 1 380.412 2.026 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000823127287 607218016 /nfs/dbraw/zinc/21/80/16/607218016.db2.gz YYVRHFKIYZTQHI-AWEZNQCLSA-N 0 1 386.847 2.256 20 0 GEADMN O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000823497938 607232451 /nfs/dbraw/zinc/23/24/51/607232451.db2.gz BHCWWYJKJCLDOR-UHFFFAOYSA-N 0 1 397.870 2.263 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000822535585 607251162 /nfs/dbraw/zinc/25/11/62/607251162.db2.gz XJWQBZCBEQBGHC-HUUCEWRRSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000822535585 607251163 /nfs/dbraw/zinc/25/11/63/607251163.db2.gz XJWQBZCBEQBGHC-HUUCEWRRSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000822535585 607251164 /nfs/dbraw/zinc/25/11/64/607251164.db2.gz XJWQBZCBEQBGHC-HUUCEWRRSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000822535585 607251165 /nfs/dbraw/zinc/25/11/65/607251165.db2.gz XJWQBZCBEQBGHC-HUUCEWRRSA-N 0 1 395.467 2.115 20 0 GEADMN O=C(Nc1nc2ccc(Cl)cn2n1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826459975 607791733 /nfs/dbraw/zinc/79/17/33/607791733.db2.gz IEUZIDPRSDSMMX-UHFFFAOYSA-N 0 1 376.714 2.093 20 0 GEADMN CC(C)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824213568 607827841 /nfs/dbraw/zinc/82/78/41/607827841.db2.gz BXDHJUPXLIKJCJ-OAHLLOKOSA-N 0 1 377.514 2.399 20 0 GEADMN O=S(=O)(CCN1CC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484894 607829554 /nfs/dbraw/zinc/82/95/54/607829554.db2.gz TYMNXQGQCVJKLV-KRWDZBQOSA-N 0 1 397.504 2.205 20 0 GEADMN c1sc(C2CC2)nc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826527112 607986090 /nfs/dbraw/zinc/98/60/90/607986090.db2.gz ZIBQHTMHLJNEFR-UHFFFAOYSA-N 0 1 398.496 2.388 20 0 GEADMN Cc1ccc(N2CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000826290660 607991397 /nfs/dbraw/zinc/99/13/97/607991397.db2.gz UIQSLPKNXGERKJ-HXUWFJFHSA-N 0 1 378.480 2.339 20 0 GEADMN CC[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825082062 608020214 /nfs/dbraw/zinc/02/02/14/608020214.db2.gz PVARSPZXHOWDHN-CYBMUJFWSA-N 0 1 382.472 2.264 20 0 GEADMN CC[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825082062 608020215 /nfs/dbraw/zinc/02/02/15/608020215.db2.gz PVARSPZXHOWDHN-CYBMUJFWSA-N 0 1 382.472 2.264 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2[nH]c3ccc(C)cc3c2C)c1-c1nnn[n-]1 ZINC000826077491 608020438 /nfs/dbraw/zinc/02/04/38/608020438.db2.gz JWMVKZNUQKMIOC-UHFFFAOYSA-N 0 1 393.455 2.092 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2[nH]c3ccc(C)cc3c2C)c1-c1nn[n-]n1 ZINC000826077491 608020439 /nfs/dbraw/zinc/02/04/39/608020439.db2.gz JWMVKZNUQKMIOC-UHFFFAOYSA-N 0 1 393.455 2.092 20 0 GEADMN CC[C@H](c1ccc(F)cc1F)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825158969 608035336 /nfs/dbraw/zinc/03/53/36/608035336.db2.gz FXAUINCLAVXFOL-CQSZACIVSA-N 0 1 376.415 2.466 20 0 GEADMN CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825158969 608035337 /nfs/dbraw/zinc/03/53/37/608035337.db2.gz FXAUINCLAVXFOL-CQSZACIVSA-N 0 1 376.415 2.466 20 0 GEADMN CC[C@H](c1ccc(F)cc1F)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825158969 608035338 /nfs/dbraw/zinc/03/53/38/608035338.db2.gz FXAUINCLAVXFOL-CQSZACIVSA-N 0 1 376.415 2.466 20 0 GEADMN CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825158969 608035339 /nfs/dbraw/zinc/03/53/39/608035339.db2.gz FXAUINCLAVXFOL-CQSZACIVSA-N 0 1 376.415 2.466 20 0 GEADMN COc1ccc(C[C@@H](C)CN(C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191958 608065598 /nfs/dbraw/zinc/06/55/98/608065598.db2.gz VPMTYEDYAWEHRB-KUHUBIRLSA-N 0 1 394.479 2.212 20 0 GEADMN O=S(=O)(Nc1cccc(O)c1)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000826493004 608095401 /nfs/dbraw/zinc/09/54/01/608095401.db2.gz OLBXPUTUIBEHMW-UHFFFAOYSA-N 0 1 385.327 2.392 20 0 GEADMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000826181371 608107508 /nfs/dbraw/zinc/10/75/08/608107508.db2.gz WKRPKSIZLLDGQU-UHFFFAOYSA-N 0 1 395.828 2.338 20 0 GEADMN CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824077510 608129192 /nfs/dbraw/zinc/12/91/92/608129192.db2.gz BVIJAONMVICOKK-CQSZACIVSA-N 0 1 394.483 2.359 20 0 GEADMN CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824077510 608129193 /nfs/dbraw/zinc/12/91/93/608129193.db2.gz BVIJAONMVICOKK-CQSZACIVSA-N 0 1 394.483 2.359 20 0 GEADMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000824358174 608203192 /nfs/dbraw/zinc/20/31/92/608203192.db2.gz ATKSQODWRHEKLX-WFASDCNBSA-N 0 1 398.471 2.389 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826229899 608209348 /nfs/dbraw/zinc/20/93/48/608209348.db2.gz WCVAKVQAOKAZOM-CABZTGNLSA-N 0 1 392.485 2.013 20 0 GEADMN CC[N@@H+](CC(=O)[N-]OCc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395001 608226095 /nfs/dbraw/zinc/22/60/95/608226095.db2.gz JGXIFISCGNSDLD-OAHLLOKOSA-N 0 1 380.452 2.498 20 0 GEADMN CCc1nnc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(-c2nn[nH]n2)c1CC ZINC000825768081 608233295 /nfs/dbraw/zinc/23/32/95/608233295.db2.gz ZCUGSVQIGHDBPM-LBPRGKRZSA-N 0 1 394.487 2.161 20 0 GEADMN CS[C@@H](C)CCC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826226223 608291834 /nfs/dbraw/zinc/29/18/34/608291834.db2.gz VDIXONVRFNNSHG-HNNXBMFYSA-N 0 1 388.541 2.433 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)c(NCCN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000826276677 608298858 /nfs/dbraw/zinc/29/88/58/608298858.db2.gz RESRDLSNHJGMRN-UHFFFAOYSA-N 0 1 398.902 2.458 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2Cn2cccn2)c1-c1nn[nH]n1 ZINC000826332532 608313586 /nfs/dbraw/zinc/31/35/86/608313586.db2.gz WZSKTQGJGJDTFY-QGZVFWFLSA-N 0 1 389.467 2.222 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2Cn2cccn2)c1-c1nn[n-]n1 ZINC000826332532 608313588 /nfs/dbraw/zinc/31/35/88/608313588.db2.gz WZSKTQGJGJDTFY-QGZVFWFLSA-N 0 1 389.467 2.222 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2Cn2cccn2)c1-c1nn[n-]n1 ZINC000826332532 608313589 /nfs/dbraw/zinc/31/35/89/608313589.db2.gz WZSKTQGJGJDTFY-QGZVFWFLSA-N 0 1 389.467 2.222 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826331852 608316659 /nfs/dbraw/zinc/31/66/59/608316659.db2.gz AIWUCDQZOZEBJH-HZPDHXFCSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826331852 608316661 /nfs/dbraw/zinc/31/66/61/608316661.db2.gz AIWUCDQZOZEBJH-HZPDHXFCSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826331852 608316663 /nfs/dbraw/zinc/31/66/63/608316663.db2.gz AIWUCDQZOZEBJH-HZPDHXFCSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826331852 608316665 /nfs/dbraw/zinc/31/66/65/608316665.db2.gz AIWUCDQZOZEBJH-HZPDHXFCSA-N 0 1 379.468 2.219 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000826183854 608428414 /nfs/dbraw/zinc/42/84/14/608428414.db2.gz CBVNHYGUGOHCPP-ZDUSSCGKSA-N 0 1 376.424 2.307 20 0 GEADMN C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825865796 608431631 /nfs/dbraw/zinc/43/16/31/608431631.db2.gz LHUIVMYDFRISCJ-UHFFFAOYSA-N 0 1 392.389 2.244 20 0 GEADMN C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825865796 608431632 /nfs/dbraw/zinc/43/16/32/608431632.db2.gz LHUIVMYDFRISCJ-UHFFFAOYSA-N 0 1 392.389 2.244 20 0 GEADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824005075 608433070 /nfs/dbraw/zinc/43/30/70/608433070.db2.gz JUHQELYNVRJACU-GFCCVEGCSA-N 0 1 379.424 2.114 20 0 GEADMN Cc1sc(NC(=O)CN[C@@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000826349557 608433806 /nfs/dbraw/zinc/43/38/06/608433806.db2.gz MHHMGRTZLKCWSD-AWEZNQCLSA-N 0 1 386.481 2.197 20 0 GEADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826177894 608446246 /nfs/dbraw/zinc/44/62/46/608446246.db2.gz ABAOJAVPFJNILJ-CYBMUJFWSA-N 0 1 396.451 2.482 20 0 GEADMN C[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824611925 608460867 /nfs/dbraw/zinc/46/08/67/608460867.db2.gz FWRPZKNCFMARSZ-NSHDSACASA-N 0 1 381.827 2.379 20 0 GEADMN COc1cccc(CN(C)C(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826215889 608463061 /nfs/dbraw/zinc/46/30/61/608463061.db2.gz BJHPOPHQOKTRSC-CQSZACIVSA-N 0 1 380.452 2.185 20 0 GEADMN O=c1cc(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)nc2ccccn12 ZINC000826502047 608466924 /nfs/dbraw/zinc/46/69/24/608466924.db2.gz SGKDZTIXMSUILR-UHFFFAOYSA-N 0 1 385.431 2.164 20 0 GEADMN COc1ccc([C@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826188533 608472998 /nfs/dbraw/zinc/47/29/98/608472998.db2.gz ZSNYKUDZOSRONI-LBPRGKRZSA-N 0 1 382.424 2.173 20 0 GEADMN CC(C)Cc1nnc(NC(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000824280599 608486473 /nfs/dbraw/zinc/48/64/73/608486473.db2.gz PWGGPWZMYSRDDP-LLVKDONJSA-N 0 1 386.485 2.206 20 0 GEADMN C[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000824562034 608493532 /nfs/dbraw/zinc/49/35/32/608493532.db2.gz BWFWYQNDBVYHSZ-LLVKDONJSA-N 0 1 383.481 2.491 20 0 GEADMN O=S(=O)(CCN[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826485108 608504267 /nfs/dbraw/zinc/50/42/67/608504267.db2.gz CDVFCENLQDBKPB-SFHVURJKSA-N 0 1 383.477 2.308 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCC1(c2ccccc2)CC1 ZINC000826412449 608528092 /nfs/dbraw/zinc/52/80/92/608528092.db2.gz OIRKULFSODLOFT-UHFFFAOYSA-N 0 1 388.475 2.293 20 0 GEADMN CC(C)Cc1nnc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000824280629 608530276 /nfs/dbraw/zinc/53/02/76/608530276.db2.gz QZQDZZFCUGILRX-UHFFFAOYSA-N 0 1 398.496 2.134 20 0 GEADMN Cc1csc2nc(CNC3(c4cccc(-c5nn[nH]n5)c4)CC3)cc(=O)n12 ZINC000826321125 608534406 /nfs/dbraw/zinc/53/44/06/608534406.db2.gz RBUFRORBPZGRAD-UHFFFAOYSA-N 0 1 379.449 2.023 20 0 GEADMN Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC000826299184 608560299 /nfs/dbraw/zinc/56/02/99/608560299.db2.gz UVPRJNCSBRFABB-CYBMUJFWSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC000826299184 608560301 /nfs/dbraw/zinc/56/03/01/608560301.db2.gz UVPRJNCSBRFABB-CYBMUJFWSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC000826299184 608560303 /nfs/dbraw/zinc/56/03/03/608560303.db2.gz UVPRJNCSBRFABB-CYBMUJFWSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC000826299184 608560305 /nfs/dbraw/zinc/56/03/05/608560305.db2.gz UVPRJNCSBRFABB-CYBMUJFWSA-N 0 1 383.481 2.482 20 0 GEADMN C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)[C@H](C)CN1C ZINC000446300008 649976911 /nfs/dbraw/zinc/97/69/11/649976911.db2.gz XGDJWWNBQPGJHZ-GYSYKLTISA-N 0 1 380.286 2.426 20 0 GEADMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824529795 608579196 /nfs/dbraw/zinc/57/91/96/608579196.db2.gz HKWKNZAUBTVEFY-WFTMENRYSA-N 0 1 398.492 2.282 20 0 GEADMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824530068 608579223 /nfs/dbraw/zinc/57/92/23/608579223.db2.gz JHHOOXRBHXRLRO-WFTMENRYSA-N 0 1 398.492 2.282 20 0 GEADMN C[C@@]1(CCCO)CCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824817644 608641642 /nfs/dbraw/zinc/64/16/42/608641642.db2.gz PYULUGYTVVJREE-KRWDZBQOSA-N 0 1 378.864 2.086 20 0 GEADMN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826232056 608699648 /nfs/dbraw/zinc/69/96/48/608699648.db2.gz IDAJFYVSYVQLSN-MRXNPFEDSA-N 0 1 388.479 2.221 20 0 GEADMN CCc1nsc(N2CCCN(Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC000825776047 608748047 /nfs/dbraw/zinc/74/80/47/608748047.db2.gz DJTRPNYJDOINQK-UHFFFAOYSA-N 0 1 376.515 2.054 20 0 GEADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1coc2ccccc12 ZINC000824999831 608834471 /nfs/dbraw/zinc/83/44/71/608834471.db2.gz KMCPPGWHJYGSLA-CYBMUJFWSA-N 0 1 376.424 2.114 20 0 GEADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1coc2ccccc12 ZINC000824999831 608834473 /nfs/dbraw/zinc/83/44/73/608834473.db2.gz KMCPPGWHJYGSLA-CYBMUJFWSA-N 0 1 376.424 2.114 20 0 GEADMN Cc1nn(C)c(N(C)C)c1CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826334347 608858616 /nfs/dbraw/zinc/85/86/16/608858616.db2.gz RHTTYZNQSGCKLR-UHFFFAOYSA-N 0 1 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KNBJFINTNMWQET-CQSZACIVSA-N 0 1 397.269 2.008 20 0 GEADMN CC(C)(C)NC(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000120555893 643618750 /nfs/dbraw/zinc/61/87/50/643618750.db2.gz JJFVSTJBKGYDLB-UHFFFAOYSA-N 0 1 397.317 2.409 20 0 GEADMN CC[C@H](NCc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H](O)C(F)(F)F ZINC000498369281 650855224 /nfs/dbraw/zinc/85/52/24/650855224.db2.gz MLIGOQQAYGHMKW-IINYFYTJSA-N 0 1 384.782 2.004 20 0 GEADMN O=S1(=O)CCO[C@@H](CN[C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000540147133 650858101 /nfs/dbraw/zinc/85/81/01/650858101.db2.gz PGKFTNKDMXJERW-IINYFYTJSA-N 0 1 394.718 2.493 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Br)cc(OC)c2)c[nH]1 ZINC000498488060 650858408 /nfs/dbraw/zinc/85/84/08/650858408.db2.gz PWBUBPCHPZTJJW-UHFFFAOYSA-N 0 1 389.227 2.373 20 0 GEADMN COC[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540193168 650859108 /nfs/dbraw/zinc/85/91/08/650859108.db2.gz ZYALJGCNANFRFO-GJZGRUSLSA-N 0 1 380.432 2.407 20 0 GEADMN O[C@@H](CN(Cc1csc(Br)c1)C1CC1)CN1CCOCC1 ZINC000125192980 643703097 /nfs/dbraw/zinc/70/30/97/643703097.db2.gz BPTVMKBFQMHHAX-CQSZACIVSA-N 0 1 375.332 2.168 20 0 GEADMN CC[C@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N)C(N)=O ZINC000125786568 643710817 /nfs/dbraw/zinc/71/08/17/643710817.db2.gz XWZHUMWUTLSNCK-LBPRGKRZSA-N 0 1 377.861 2.058 20 0 GEADMN O=C(CNC(=O)c1ccc(Br)s1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000126694725 643742914 /nfs/dbraw/zinc/74/29/14/643742914.db2.gz CIERCRBSTMTORH-VIFPVBQESA-N 0 1 398.286 2.112 20 0 GEADMN CC[N@@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000126803201 643746000 /nfs/dbraw/zinc/74/60/00/643746000.db2.gz WEWOOFGNWOPOJT-JTQLQIEISA-N 0 1 395.344 2.498 20 0 GEADMN CC[N@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000126803201 643746004 /nfs/dbraw/zinc/74/60/04/643746004.db2.gz WEWOOFGNWOPOJT-JTQLQIEISA-N 0 1 395.344 2.498 20 0 GEADMN CCN1CCN([C@@H]2CCN(C(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000127155582 643760015 /nfs/dbraw/zinc/76/00/15/643760015.db2.gz MAZRCTDKNOTUPH-OAHLLOKOSA-N 0 1 398.320 2.369 20 0 GEADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Br)cn1 ZINC000127404478 643775414 /nfs/dbraw/zinc/77/54/14/643775414.db2.gz LNUFKLRKPXDCHR-CVEARBPZSA-N 0 1 390.281 2.209 20 0 GEADMN O=C(Cc1[nH]nc2ccccc21)NCc1nc2cc(Br)cnc2[nH]1 ZINC000498986789 650870673 /nfs/dbraw/zinc/87/06/73/650870673.db2.gz KOQLIXFRGMACAH-UHFFFAOYSA-N 0 1 385.225 2.456 20 0 GEADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(Br)nc1 ZINC000134136412 643901893 /nfs/dbraw/zinc/90/18/93/643901893.db2.gz BBQHVVFVALVPSH-SECBINFHSA-N 0 1 388.225 2.477 20 0 GEADMN CC(C)(O)CN1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000151391576 643942136 /nfs/dbraw/zinc/94/21/36/643942136.db2.gz YSLIOKRJRZZFEK-UHFFFAOYSA-N 0 1 376.320 2.109 20 0 GEADMN O=C(NCCCCN1CCOCC1)[C@@H]1COc2ccc(Br)cc21 ZINC000154211798 644026159 /nfs/dbraw/zinc/02/61/59/644026159.db2.gz NKEWYYUXNZOMOF-OAHLLOKOSA-N 0 1 383.286 2.154 20 0 GEADMN C[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H](C)CO ZINC000155469407 644073163 /nfs/dbraw/zinc/07/31/63/644073163.db2.gz UPRAWWFOFQPYSQ-NXEZZACHSA-N 0 1 382.262 2.050 20 0 GEADMN C[C@@H](NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H](C)CO ZINC000155469407 644073169 /nfs/dbraw/zinc/07/31/69/644073169.db2.gz UPRAWWFOFQPYSQ-NXEZZACHSA-N 0 1 382.262 2.050 20 0 GEADMN CCC[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nn[nH]n1 ZINC000155477371 644074031 /nfs/dbraw/zinc/07/40/31/644074031.db2.gz APQDFRPAXZWXOI-GFCCVEGCSA-N 0 1 390.245 2.419 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)NC[C@H]2C)c(Cl)cc1Cl ZINC000156239964 644087003 /nfs/dbraw/zinc/08/70/03/644087003.db2.gz RZPGKNDHTKFQON-RKDXNWHRSA-N 0 1 381.281 2.151 20 0 GEADMN COC(=O)Cn1cc(CCN(C)[C@@H](C)c2ccccc2Br)nn1 ZINC000156393966 644093631 /nfs/dbraw/zinc/09/36/31/644093631.db2.gz VOMTXGKRADYESO-LBPRGKRZSA-N 0 1 381.274 2.449 20 0 GEADMN CN1CCN(CCNC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000156493350 644098992 /nfs/dbraw/zinc/09/89/92/644098992.db2.gz CTYINKSFVFPLHR-UHFFFAOYSA-N 0 1 394.235 2.445 20 0 GEADMN CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000156503472 644099768 /nfs/dbraw/zinc/09/97/68/644099768.db2.gz IFTLPZQSBMMFHY-UHFFFAOYSA-N 0 1 378.853 2.140 20 0 GEADMN C[C@@H](CN(C)C(=O)CCCOc1ccccc1Br)c1nn[nH]n1 ZINC000156558690 644103432 /nfs/dbraw/zinc/10/34/32/644103432.db2.gz SKVXSDIZXCNDEK-NSHDSACASA-N 0 1 382.262 2.383 20 0 GEADMN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000158661259 644154247 /nfs/dbraw/zinc/15/42/47/644154247.db2.gz DCNUKXMVICYMRI-LLVKDONJSA-N 0 1 382.869 2.353 20 0 GEADMN O=S(=O)(Nc1cccnc1-n1cncn1)c1cc(Br)ccc1F ZINC000158723317 644156920 /nfs/dbraw/zinc/15/69/20/644156920.db2.gz QQCNQMVJODZZNJ-UHFFFAOYSA-N 0 1 398.217 2.365 20 0 GEADMN C[C@@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@H]2CCCC[C@H]12 ZINC000542975099 650896542 /nfs/dbraw/zinc/89/65/42/650896542.db2.gz IVQWTDHYLVWATF-KFNAQCHYSA-N 0 1 385.917 2.436 20 0 GEADMN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCCN1CCC(O)CC1 ZINC000158986726 644171199 /nfs/dbraw/zinc/17/11/99/644171199.db2.gz JDYVTHFFWDRGBQ-UHFFFAOYSA-N 0 1 381.325 2.260 20 0 GEADMN CN(C)[C@]1(CNS(=O)(=O)c2cccc(Br)c2F)CCSC1 ZINC000543070606 650899029 /nfs/dbraw/zinc/89/90/29/650899029.db2.gz ZIMWXBDVDGNSFC-ZDUSSCGKSA-N 0 1 397.335 2.304 20 0 GEADMN C[C@@]1(CO)CCC[C@@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000162054524 644230534 /nfs/dbraw/zinc/23/05/34/644230534.db2.gz IWEFWGRSCGZVJA-WFASDCNBSA-N 0 1 399.232 2.448 20 0 GEADMN CN1CCCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000162085930 644232020 /nfs/dbraw/zinc/23/20/20/644232020.db2.gz XGBKXNPEVVVULS-UHFFFAOYSA-N 0 1 375.416 2.444 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000162381246 644235785 /nfs/dbraw/zinc/23/57/85/644235785.db2.gz SSIUEUQBMPHEFS-JQWIXIFHSA-N 0 1 393.285 2.346 20 0 GEADMN O=S(=O)(NC[C@H](O)c1ccco1)c1cc(F)c(Br)cc1F ZINC000162648419 644240985 /nfs/dbraw/zinc/24/09/85/644240985.db2.gz UVRUMINIZIMAPJ-JTQLQIEISA-N 0 1 382.182 2.332 20 0 GEADMN Cc1[nH]c(=O)c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1Br ZINC000163131862 644249275 /nfs/dbraw/zinc/24/92/75/644249275.db2.gz NIGWUIMWIAWGNJ-UHFFFAOYSA-N 0 1 375.186 2.291 20 0 GEADMN Cc1[nH]c(=O)c(C(=O)N2CCC(CN3CCOCC3)CC2)cc1Br ZINC000163132251 644249459 /nfs/dbraw/zinc/24/94/59/644249459.db2.gz DBPBUNCTCZLLHD-UHFFFAOYSA-N 0 1 398.301 2.043 20 0 GEADMN O=S(=O)(NCCc1nc[nH]n1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000163429447 644256143 /nfs/dbraw/zinc/25/61/43/644256143.db2.gz QTFUFTJSPQDXLB-UHFFFAOYSA-N 0 1 399.192 2.107 20 0 GEADMN CC(C)OCCN1CCC(NS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000164168956 644259763 /nfs/dbraw/zinc/25/97/63/644259763.db2.gz VBFUZRHJCWPROS-UHFFFAOYSA-N 0 1 376.469 2.274 20 0 GEADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000164636382 644267315 /nfs/dbraw/zinc/26/73/15/644267315.db2.gz WALNUDSHKQXGRU-ZDUSSCGKSA-N 0 1 393.329 2.225 20 0 GEADMN O=C(NC[C@@H](O)COc1ccccc1Br)[C@H]1CCCc2[nH]ncc21 ZINC000166306451 644274477 /nfs/dbraw/zinc/27/44/77/644274477.db2.gz DVCJHZQHXIXZJH-NEPJUHHUSA-N 0 1 394.269 2.148 20 0 GEADMN COC(=O)[C@H](NC(=O)[C@H](C)CN1CCOCC1)c1ccc(Cl)cc1Cl ZINC000543308901 650906423 /nfs/dbraw/zinc/90/64/23/650906423.db2.gz VTRACHVDNXVFKB-IAQYHMDHSA-N 0 1 389.279 2.292 20 0 GEADMN CC(=O)N[C@@H](CC(=O)NCc1cn[nH]c1C)c1ccc(Br)cc1 ZINC000170850539 644291356 /nfs/dbraw/zinc/29/13/56/644291356.db2.gz YIKXQICVDOTAJD-HNNXBMFYSA-N 0 1 379.258 2.364 20 0 GEADMN CC(C)(O)CN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000171147416 644314174 /nfs/dbraw/zinc/31/41/74/644314174.db2.gz JLZLCYTUWHZDBD-CQSZACIVSA-N 0 1 377.312 2.122 20 0 GEADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H](C2OCCO2)C1 ZINC000171144709 644314363 /nfs/dbraw/zinc/31/43/63/644314363.db2.gz AVESPNLFQLTUHX-HNNXBMFYSA-N 0 1 397.313 2.492 20 0 GEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000543415604 650911030 /nfs/dbraw/zinc/91/10/30/650911030.db2.gz GXIYFMRESQZECB-UHFFFAOYSA-N 0 1 384.889 2.280 20 0 GEADMN COC(=O)CCN(CC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000173999803 644365791 /nfs/dbraw/zinc/36/57/91/644365791.db2.gz JHVLLYSORWDMDX-UHFFFAOYSA-N 0 1 399.285 2.432 20 0 GEADMN COc1nc(N2CCN(CC3(O)CCCCC3)CC2)ncc1Br ZINC000176922990 644407061 /nfs/dbraw/zinc/40/70/61/644407061.db2.gz SAZDLUDEEDOJAH-UHFFFAOYSA-N 0 1 385.306 2.065 20 0 GEADMN COC(=O)c1cccc2nc(NC(=O)c3c[nH]c(=O)c(Br)c3)[nH]c21 ZINC000178945364 644447046 /nfs/dbraw/zinc/44/70/46/644447046.db2.gz FNAYGSSYXKLFCK-UHFFFAOYSA-N 0 1 391.181 2.053 20 0 GEADMN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178964998 644447726 /nfs/dbraw/zinc/44/77/26/644447726.db2.gz RTJTZFPXBXSHNH-PSASIEDQSA-N 0 1 382.711 2.293 20 0 GEADMN O=C(Nc1ccncc1Br)NC1CCN(Cc2ccncc2)CC1 ZINC000543740821 650922607 /nfs/dbraw/zinc/92/26/07/650922607.db2.gz FTTHYMFJIXKWBZ-UHFFFAOYSA-N 0 1 390.285 2.447 20 0 GEADMN CCCN(CC)CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179695099 644467920 /nfs/dbraw/zinc/46/79/20/644467920.db2.gz OBMGTNIREZETRX-UHFFFAOYSA-N 0 1 391.331 2.314 20 0 GEADMN Cc1nc(S(=O)(=O)[N-]CC[N@H+](C)C2CCCC2)sc1Br ZINC000180065532 644486063 /nfs/dbraw/zinc/48/60/63/644486063.db2.gz DVVQPMJKGCDWTD-UHFFFAOYSA-N 0 1 382.349 2.367 20 0 GEADMN CCOC(=O)CC[C@H](C)NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000180119962 644489564 /nfs/dbraw/zinc/48/95/64/644489564.db2.gz YXIIMDDEKDWERB-ZETCQYMHSA-N 0 1 385.305 2.224 20 0 GEADMN O=C(NCCCN1CCN(c2ccc(Br)cn2)CC1)C(F)(F)F ZINC000180504123 644505078 /nfs/dbraw/zinc/50/50/78/644505078.db2.gz UHYRCLBDMBSHQS-UHFFFAOYSA-N 0 1 395.223 2.035 20 0 GEADMN O=C(NCCNCc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccn[nH]1 ZINC000181143227 644526417 /nfs/dbraw/zinc/52/64/17/644526417.db2.gz CVSYALWMRXRJTK-UHFFFAOYSA-N 0 1 389.257 2.082 20 0 GEADMN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cnc1Br ZINC000181175974 644527839 /nfs/dbraw/zinc/52/78/39/644527839.db2.gz NVNSMLBVIXUTAL-UHFFFAOYSA-N 0 1 382.239 2.448 20 0 GEADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)cc1F ZINC000543859031 650926885 /nfs/dbraw/zinc/92/68/85/650926885.db2.gz YMESFIZCJORGGT-UHFFFAOYSA-N 0 1 384.454 2.304 20 0 GEADMN CC(C)(C)OC(=O)CCCCN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000544133456 650935843 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387.571 2.385 20 0 GEADMN CCC[C@H](C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)N(C)C ZINC000281976822 646807555 /nfs/dbraw/zinc/80/75/55/646807555.db2.gz LOYOAHIXBBOBQX-CQSZACIVSA-N 0 1 385.306 2.350 20 0 GEADMN C[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)[C@H](C)N1CCOCC1 ZINC000281993195 646809040 /nfs/dbraw/zinc/80/90/40/646809040.db2.gz CNWPCMRLRHCBLP-MNOVXSKESA-N 0 1 381.274 2.164 20 0 GEADMN COc1ccc(C2=NO[C@@H](CNC(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000283549163 646824319 /nfs/dbraw/zinc/82/43/19/646824319.db2.gz NDYYVAASIDLBRW-LLVKDONJSA-N 0 1 396.519 2.237 20 0 GEADMN Cc1[nH]ncc1CCCNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000283679123 646826729 /nfs/dbraw/zinc/82/67/29/646826729.db2.gz UAHNPCCSDFQOQO-OAHLLOKOSA-N 0 1 381.274 2.446 20 0 GEADMN CC(C)c1csc(CNC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)n1 ZINC000284628385 646842080 /nfs/dbraw/zinc/84/20/80/646842080.db2.gz YVOFGAPFPDVWGR-ZDUSSCGKSA-N 0 1 380.539 2.363 20 0 GEADMN CN1CC[C@@H]2OCCN(C(=O)c3cc4ccc(Br)cc4[nH]3)[C@@H]2C1 ZINC000285596079 646858016 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BHLBEOIPHQTACH-CQSZACIVSA-N 0 1 386.949 2.371 20 0 GEADMN CCN(CC)CC(=O)Nc1cccc(NCc2nc(Br)nn2C)c1 ZINC000894784989 654498784 /nfs/dbraw/zinc/49/87/84/654498784.db2.gz PJKCZXHNNLWQDP-UHFFFAOYSA-N 0 1 395.305 2.470 20 0 GEADMN COC(=O)[C@@H]1[C@H](CN[C@H](CO)c2ccc(Br)c(F)c2)C1(F)F ZINC000894848555 654502128 /nfs/dbraw/zinc/50/21/28/654502128.db2.gz IFGBJAXOLGEISA-AXTRIDKLSA-N 0 1 382.176 2.266 20 0 GEADMN COc1cc(OC)c(C[C@H](C)NCc2nc(Br)nn2C)c(OC)c1 ZINC000894888926 654503944 /nfs/dbraw/zinc/50/39/44/654503944.db2.gz LBTTYRHZCWHUML-JTQLQIEISA-N 0 1 399.289 2.324 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC(C)C)C2)oc1Cl ZINC000907065321 654506041 /nfs/dbraw/zinc/50/60/41/654506041.db2.gz HOLWFJLVJAMZTK-LBPRGKRZSA-N 0 1 392.905 2.366 20 0 GEADMN NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000894934572 654506219 /nfs/dbraw/zinc/50/62/19/654506219.db2.gz RBVHWZSEGSCSGA-KRWDZBQOSA-N 0 1 376.254 2.179 20 0 GEADMN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000894934572 654506221 /nfs/dbraw/zinc/50/62/21/654506221.db2.gz RBVHWZSEGSCSGA-KRWDZBQOSA-N 0 1 376.254 2.179 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCCN2C2CC2)oc1Cl ZINC000907154836 654515721 /nfs/dbraw/zinc/51/57/21/654515721.db2.gz GREYTALQJZVMTL-NSHDSACASA-N 0 1 376.862 2.015 20 0 GEADMN Cc1nc([C@@H](C)NS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)n[nH]1 ZINC000907189524 654519318 /nfs/dbraw/zinc/51/93/18/654519318.db2.gz ZNACAXRWXLMGHJ-YMTOWFKASA-N 0 1 399.314 2.414 20 0 GEADMN Cc1[nH]ncc1C1CCN(C(=O)NCc2cn(C)nc2Br)CC1 ZINC000924567377 654520166 /nfs/dbraw/zinc/52/01/66/654520166.db2.gz NWYLYIYPNDYTRS-UHFFFAOYSA-N 0 1 381.278 2.303 20 0 GEADMN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc(Br)c1O ZINC000924877953 654527559 /nfs/dbraw/zinc/52/75/59/654527559.db2.gz UZOWJNBVYMAZJV-GXFFZTMASA-N 0 1 386.242 2.385 20 0 GEADMN C[C@@H]1C[C@H](NCCCNC(=O)c2cccc(Br)c2)c2ncnn21 ZINC000924891930 654528118 /nfs/dbraw/zinc/52/81/18/654528118.db2.gz SJQIODAKIDWJMM-RISCZKNCSA-N 0 1 378.274 2.456 20 0 GEADMN CN1C[C@@H](O)C[C@@H]1CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000924996342 654530882 /nfs/dbraw/zinc/53/08/82/654530882.db2.gz TWMNFGJXZPMBNY-SFYZADRCSA-N 0 1 399.182 2.402 20 0 GEADMN O=S(=O)([N-]C1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)cnc1Cl ZINC000907327426 654532237 /nfs/dbraw/zinc/53/22/37/654532237.db2.gz DAUZLALDNAYRLY-UHFFFAOYSA-N 0 1 394.324 2.310 20 0 GEADMN CCN1CC[C@H]1CN1C(=O)N[C@@]2(CCc3cc(Br)ccc3C2)C1=O ZINC000925096284 654533794 /nfs/dbraw/zinc/53/37/94/654533794.db2.gz MRRVLBMRKLWSPF-MAUKXSAKSA-N 0 1 392.297 2.323 20 0 GEADMN CCN1CC[C@@H]1CN1C(=O)N[C@]2(CCc3cc(Br)ccc3C2)C1=O ZINC000925096286 654533841 /nfs/dbraw/zinc/53/38/41/654533841.db2.gz MRRVLBMRKLWSPF-QAPCUYQASA-N 0 1 392.297 2.323 20 0 GEADMN O=C(N[C@@H]1CCCN2CCSC[C@@H]12)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000925158054 654535416 /nfs/dbraw/zinc/53/54/16/654535416.db2.gz BCMKPTGXQPURKG-VNHYZAJKSA-N 0 1 381.464 2.055 20 0 GEADMN O=C(N[C@@H]1CCCN2CCSC[C@H]12)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000925158051 654535556 /nfs/dbraw/zinc/53/55/56/654535556.db2.gz BCMKPTGXQPURKG-UMVBOHGHSA-N 0 1 381.464 2.055 20 0 GEADMN C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CC[C@@H](C(F)(F)F)O1 ZINC000925169213 654535851 /nfs/dbraw/zinc/53/58/51/654535851.db2.gz JZPSQECDCRGUEE-SYQHCUMBSA-N 0 1 381.464 2.318 20 0 GEADMN Nc1cn[nH]c1[C@H]1CCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000907418241 654540894 /nfs/dbraw/zinc/54/08/94/654540894.db2.gz JOUWWLQSRNLBOC-NSHDSACASA-N 0 1 396.232 2.155 20 0 GEADMN Nc1cn[nH]c1[C@@H]1CCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000907423050 654541479 /nfs/dbraw/zinc/54/14/79/654541479.db2.gz IXGDSALEGGNWAI-SECBINFHSA-N 0 1 375.230 2.032 20 0 GEADMN CN1CC[C@H]1CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000925429938 654544450 /nfs/dbraw/zinc/54/44/50/654544450.db2.gz NDCVMEXUJYWXMB-UMNHJUIQSA-N 0 1 395.139 2.228 20 0 GEADMN C[S@@](=O)(=NS(=O)(=O)NCc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000907451596 654544502 /nfs/dbraw/zinc/54/45/02/654544502.db2.gz VRACQIOZLWHUHP-DEOSSOPVSA-N 0 1 382.511 2.175 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)NCC(C)(C)C2CCOCC2)oc1Cl ZINC000907456835 654545051 /nfs/dbraw/zinc/54/50/51/654545051.db2.gz IKJHDTAJYHQUTH-UHFFFAOYSA-N 0 1 379.862 2.451 20 0 GEADMN C[S@](=O)(=NS(=O)(=O)NC[C@H]1CC[C@H](C2CC2)O1)c1ccccc1F ZINC000907468959 654545986 /nfs/dbraw/zinc/54/59/86/654545986.db2.gz FQBTWTGGTLYKIC-WOZUBWMWSA-N 0 1 376.475 2.074 20 0 GEADMN C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccnn1CC1CCC1 ZINC000925605216 654546752 /nfs/dbraw/zinc/54/67/52/654546752.db2.gz DCVLYNCXFYJHTP-HIFRSBDPSA-N 0 1 383.539 2.230 20 0 GEADMN O=C(CCc1cccc(Br)c1)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907473729 654546754 /nfs/dbraw/zinc/54/67/54/654546754.db2.gz DQLIDUMIONHGSB-LBPRGKRZSA-N 0 1 382.287 2.212 20 0 GEADMN COC1(OC)CC[C@@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000925665812 654547436 /nfs/dbraw/zinc/54/74/36/654547436.db2.gz NXUZYLIOIHZUIO-ZDUSSCGKSA-N 0 1 383.388 2.100 20 0 GEADMN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907481126 654548190 /nfs/dbraw/zinc/54/81/90/654548190.db2.gz ZTBGBANALGWNOE-MFKMUULPSA-N 0 1 379.873 2.379 20 0 GEADMN Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NC[C@@]1(C(F)(F)F)CCCN1 ZINC000925852307 654551498 /nfs/dbraw/zinc/55/14/98/654551498.db2.gz DQBXTFPKMKJAMS-IUODEOHRSA-N 0 1 379.448 2.286 20 0 GEADMN CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1[O-])C2 ZINC000926186663 654563038 /nfs/dbraw/zinc/56/30/38/654563038.db2.gz QVYFZLJBYDKKPT-NYCLONFESA-N 0 1 397.313 2.364 20 0 GEADMN CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1[O-])C2 ZINC000926186663 654563042 /nfs/dbraw/zinc/56/30/42/654563042.db2.gz QVYFZLJBYDKKPT-NYCLONFESA-N 0 1 397.313 2.364 20 0 GEADMN Cc1n[nH]c(I)c1C(=O)N1CCC[C@]1(CO)CC(C)C ZINC000907672381 654566789 /nfs/dbraw/zinc/56/67/89/654566789.db2.gz IKDUCHHVCBRMFP-CQSZACIVSA-N 0 1 391.253 2.336 20 0 GEADMN C[C@H](N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1)c1nc(Br)ccc1F ZINC000926441587 654570849 /nfs/dbraw/zinc/57/08/49/654570849.db2.gz CGZXOONZPZJGQF-HMECCHRJSA-N 0 1 386.265 2.460 20 0 GEADMN O=S1(=O)CC[C@](O)(CN[C@@H](Cc2ccc(F)cc2Cl)c2ccoc2)C1 ZINC000926507740 654572769 /nfs/dbraw/zinc/57/27/69/654572769.db2.gz KESSQVLLDCPXBH-IRXDYDNUSA-N 0 1 387.860 2.495 20 0 GEADMN COc1ccc(C[C@@H](CO)CN[C@@H](C)c2cnn(C)n2)cc1Br ZINC000926539107 654574201 /nfs/dbraw/zinc/57/42/01/654574201.db2.gz UYQMVXHHRKFCRD-WCQYABFASA-N 0 1 383.290 2.088 20 0 GEADMN COc1ccc(C[C@H](CO)CN[C@H]2C[C@H](C)n3ncnc32)cc1Br ZINC000926541370 654574489 /nfs/dbraw/zinc/57/44/89/654574489.db2.gz OWQJUMJDZULPSR-WHOFXGATSA-N 0 1 395.301 2.496 20 0 GEADMN COc1cc(C(=O)NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)ccc1Br ZINC000926637042 654578478 /nfs/dbraw/zinc/57/84/78/654578478.db2.gz FAYZEHWBOBRHLF-FZMZJTMJSA-N 0 1 395.257 2.392 20 0 GEADMN O=C([O-])C[N@H+]1CCCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC000907800594 654580284 /nfs/dbraw/zinc/58/02/84/654580284.db2.gz SWVJFBMBJRXFOE-UHFFFAOYSA-N 0 1 392.253 2.230 20 0 GEADMN CN1CCC2(CCN2S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000907853922 654583525 /nfs/dbraw/zinc/58/35/25/654583525.db2.gz OINJXMVPZNLTKV-UHFFFAOYSA-N 0 1 377.279 2.447 20 0 GEADMN CN1CCC2(CCN2S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000907856685 654583974 /nfs/dbraw/zinc/58/39/74/654583974.db2.gz DNMADTHPEPJMNW-UHFFFAOYSA-N 0 1 387.343 2.492 20 0 GEADMN C[C@H](NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccns1 ZINC000926877867 654584404 /nfs/dbraw/zinc/58/44/04/654584404.db2.gz JIFBMLIYTGUBRI-STQMWFEESA-N 0 1 389.543 2.218 20 0 GEADMN Cc1noc(C2(NS(=O)(=O)c3cc(F)c(Br)cc3F)CC2)n1 ZINC000907865366 654585158 /nfs/dbraw/zinc/58/51/58/654585158.db2.gz RVGGQRRAEWRTNU-UHFFFAOYSA-N 0 1 394.197 2.386 20 0 GEADMN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC[C@H](O)CS(C)(=O)=O ZINC000927027970 654590179 /nfs/dbraw/zinc/59/01/79/654590179.db2.gz HKLZBCGCIRSHKL-PUYPPJJSSA-N 0 1 394.356 2.227 20 0 GEADMN C[C@H](NCCOC1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000927080323 654591152 /nfs/dbraw/zinc/59/11/52/654591152.db2.gz SKKOXNYMLUORGM-JTQLQIEISA-N 0 1 397.324 2.487 20 0 GEADMN CC(=Cc1c(Cl)cccc1Cl)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 ZINC000907943690 654591808 /nfs/dbraw/zinc/59/18/08/654591808.db2.gz LQHRWHSRVSWEPF-MDZDMXLPSA-N 0 1 382.251 2.420 20 0 GEADMN O=C(NCC1(n2cc(Br)cn2)CC1)N1CCN(C2CCC2)CC1 ZINC000927105040 654592114 /nfs/dbraw/zinc/59/21/14/654592114.db2.gz HWBRDBIEZDYFIN-UHFFFAOYSA-N 0 1 382.306 2.014 20 0 GEADMN Cc1nc(CNS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)n[nH]1 ZINC000907995858 654595085 /nfs/dbraw/zinc/59/50/85/654595085.db2.gz NATFMFKQRLAUHF-UHFFFAOYSA-N 0 1 399.192 2.373 20 0 GEADMN O=S(=O)(N[C@@H]1CCOC12CCOCC2)c1cc(C(F)(F)F)ccc1O ZINC000908194473 654611797 /nfs/dbraw/zinc/61/17/97/654611797.db2.gz QYRJNWFJXMZUBF-CYBMUJFWSA-N 0 1 381.372 2.027 20 0 GEADMN C[C@H](CC(=O)N[C@H]1CCCN2CCSC[C@H]12)n1cc(Br)cn1 ZINC000928075014 654628717 /nfs/dbraw/zinc/62/87/17/654628717.db2.gz CODXNDFCMVOIRM-KWCYVHTRSA-N 0 1 387.347 2.293 20 0 GEADMN Cn1c(=O)c2ccc(C(=O)N3CCS[C@@H](C(F)(F)F)C3)cc2[nH]c1=S ZINC000928143294 654633605 /nfs/dbraw/zinc/63/36/05/654633605.db2.gz XPIAXDBVSJWCAC-LLVKDONJSA-N 0 1 389.424 2.342 20 0 GEADMN 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C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](CC(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000769756419 597084142 /nfs/dbraw/zinc/08/41/42/597084142.db2.gz SLXZWMRUKGYOAW-BRWVUGGUSA-N 0 1 389.496 2.425 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000676233365 597085430 /nfs/dbraw/zinc/08/54/30/597085430.db2.gz OOJHMHGVFPWBRJ-GFCCVEGCSA-N 0 1 390.299 2.410 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000676233365 597085434 /nfs/dbraw/zinc/08/54/34/597085434.db2.gz OOJHMHGVFPWBRJ-GFCCVEGCSA-N 0 1 390.299 2.410 20 0 GEADMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000819018774 597086748 /nfs/dbraw/zinc/08/67/48/597086748.db2.gz PCYVOHSVHVIOKW-KRWDZBQOSA-N 0 1 384.480 2.292 20 0 GEADMN CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2F)CC1 ZINC000533188200 597098801 /nfs/dbraw/zinc/09/88/01/597098801.db2.gz BKEGGECSXRZBRE-OAHLLOKOSA-N 0 1 377.460 2.295 20 0 GEADMN O=C([O-])CSCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 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DNNPLRBCBJHPOZ-UHFFFAOYSA-N 0 1 391.391 2.229 20 0 GEADMN Cc1nc(COC(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)n[nH]1 ZINC000822444285 607319637 /nfs/dbraw/zinc/31/96/37/607319637.db2.gz KHNAXOCILYMMIV-UHFFFAOYSA-N 0 1 391.391 2.229 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000821421181 598174633 /nfs/dbraw/zinc/17/46/33/598174633.db2.gz JKNCYODWKMOKJO-MRXNPFEDSA-N 0 1 381.432 2.104 20 0 GEADMN COc1ccccc1CCN(C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737150316 598247767 /nfs/dbraw/zinc/24/77/67/598247767.db2.gz NTUFVTDHSYINGY-GOSISDBHSA-N 0 1 392.463 2.155 20 0 GEADMN COc1ccc(OCCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737109173 598253057 /nfs/dbraw/zinc/25/30/57/598253057.db2.gz FQCQHFZZXKJVGT-UHFFFAOYSA-N 0 1 394.479 2.466 20 0 GEADMN Fc1cc(-c2nn[nH]n2)ccc1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000737638922 598315018 /nfs/dbraw/zinc/31/50/18/598315018.db2.gz KOXLAMVBZSBKPV-UHFFFAOYSA-N 0 1 393.382 2.414 20 0 GEADMN Cc1ccc(N(C)C2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)nn1 ZINC000737347405 598341218 /nfs/dbraw/zinc/34/12/18/598341218.db2.gz PRDOGHCEPHJTMY-UHFFFAOYSA-N 0 1 382.447 2.205 20 0 GEADMN Cc1csc(N2CCN(CCOc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC000737452869 598365193 /nfs/dbraw/zinc/36/51/93/598365193.db2.gz PAVFIXLPEDXBDY-AWEZNQCLSA-N 0 1 385.497 2.221 20 0 GEADMN CC(C)n1ccnc1CN1CCCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735964617 598365926 /nfs/dbraw/zinc/36/59/26/598365926.db2.gz BARMLYGAEDWYEY-UHFFFAOYSA-N 0 1 398.490 2.491 20 0 GEADMN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736250759 598471349 /nfs/dbraw/zinc/47/13/49/598471349.db2.gz MDPDIACUAMBCOL-VXGBXAGGSA-N 0 1 398.920 2.061 20 0 GEADMN C[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000736113080 598502255 /nfs/dbraw/zinc/50/22/55/598502255.db2.gz WPRACWFMGJTMHQ-LBPRGKRZSA-N 0 1 392.394 2.198 20 0 GEADMN C[C@@H]1CCC[C@H](NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)[C@@H]1C ZINC000736262682 598503587 /nfs/dbraw/zinc/50/35/87/598503587.db2.gz PTHOKWHBMVAIBL-IOASZLSFSA-N 0 1 380.452 2.123 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1cc(F)ccc1F ZINC000737983456 598503695 /nfs/dbraw/zinc/50/36/95/598503695.db2.gz VYQUCPDJQBJXSV-UHFFFAOYSA-N 0 1 382.330 2.099 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCCc2ccccc21 ZINC000737983463 598504884 /nfs/dbraw/zinc/50/48/84/598504884.db2.gz WDTJQQXRPHYAKT-UHFFFAOYSA-N 0 1 386.415 2.161 20 0 GEADMN COc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)cc1 ZINC000737117530 598548568 /nfs/dbraw/zinc/54/85/68/598548568.db2.gz YHCJKHTYKYGKTC-UHFFFAOYSA-N 0 1 397.363 2.278 20 0 GEADMN CCN1CCc2ccc(NC(=O)c3cc(-c4nn[nH]n4)c(SC)[nH]c3=O)cc21 ZINC000736569855 598555822 /nfs/dbraw/zinc/55/58/22/598555822.db2.gz UXMXLBKOZLMCRX-UHFFFAOYSA-N 0 1 397.464 2.324 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738146876 598562610 /nfs/dbraw/zinc/56/26/10/598562610.db2.gz SEQOGTZHIMCPRK-RYUDHWBXSA-N 0 1 393.398 2.216 20 0 GEADMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738207281 598568463 /nfs/dbraw/zinc/56/84/63/598568463.db2.gz AAQXZCMJANTJNW-UHFFFAOYSA-N 0 1 383.375 2.452 20 0 GEADMN CN(Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736829593 598621710 /nfs/dbraw/zinc/62/17/10/598621710.db2.gz HNBYOSNNHBWQHS-GOSISDBHSA-N 0 1 387.447 2.357 20 0 GEADMN Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000737279271 598627566 /nfs/dbraw/zinc/62/75/66/598627566.db2.gz IMALDTHOBUPYHG-ZDUSSCGKSA-N 0 1 379.424 2.253 20 0 GEADMN Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000737279271 598627568 /nfs/dbraw/zinc/62/75/68/598627568.db2.gz IMALDTHOBUPYHG-ZDUSSCGKSA-N 0 1 379.424 2.253 20 0 GEADMN Cc1ccnc(NC[C@@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)C2)c1 ZINC000737437691 598672381 /nfs/dbraw/zinc/67/23/81/598672381.db2.gz PQVVACJRCMLCCC-AWEZNQCLSA-N 0 1 376.468 2.392 20 0 GEADMN C[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737194091 598707893 /nfs/dbraw/zinc/70/78/93/598707893.db2.gz AMVMQMAUDUNGRU-MRXNPFEDSA-N 0 1 391.479 2.012 20 0 GEADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736274372 598719276 /nfs/dbraw/zinc/71/92/76/598719276.db2.gz UNXQDGQKOVWKPR-CJNGLKHVSA-N 0 1 380.452 2.219 20 0 GEADMN CCOc1ccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000736646086 598719312 /nfs/dbraw/zinc/71/93/12/598719312.db2.gz DOHJXVSWGVLPLE-UHFFFAOYSA-N 0 1 390.403 2.219 20 0 GEADMN Cc1nnc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)n1C1CC1 ZINC000737520753 598721333 /nfs/dbraw/zinc/72/13/33/598721333.db2.gz HUZFRLHATGBVAV-UHFFFAOYSA-N 0 1 382.815 2.118 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)Nc1ccccc1 ZINC000737980357 598721999 /nfs/dbraw/zinc/72/19/99/598721999.db2.gz DEODIBTZADKQKV-UHFFFAOYSA-N 0 1 380.795 2.474 20 0 GEADMN Cc1cc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Br)ccc32)no1 ZINC000737261841 598722422 /nfs/dbraw/zinc/72/24/22/598722422.db2.gz AOJMAYXXMXWQTF-UHFFFAOYSA-N 0 1 387.197 2.289 20 0 GEADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCNc1ncccc1-c1nn[nH]n1 ZINC000737196513 598738441 /nfs/dbraw/zinc/73/84/41/598738441.db2.gz NKACPBYLKRLPPM-UHFFFAOYSA-N 0 1 390.407 2.229 20 0 GEADMN Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)ccc1F ZINC000737233395 598750011 /nfs/dbraw/zinc/75/00/11/598750011.db2.gz FCSNXMWDQIAOFU-UHFFFAOYSA-N 0 1 397.414 2.142 20 0 GEADMN CCS[C@H]1CCCCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC000736668184 598751081 /nfs/dbraw/zinc/75/10/81/598751081.db2.gz YMTGTSFAJSZCHT-JTQLQIEISA-N 0 1 394.526 2.437 20 0 GEADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736315311 598764965 /nfs/dbraw/zinc/76/49/65/598764965.db2.gz ROYDFUUCWRVKFR-CQSZACIVSA-N 0 1 386.500 2.403 20 0 GEADMN COC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000736950357 599303923 /nfs/dbraw/zinc/30/39/23/599303923.db2.gz YGQWAPIGKDDWAE-UHFFFAOYSA-N 0 1 393.812 2.108 20 0 GEADMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1cccc(-c2nn[nH]n2)c1 ZINC000738346009 599314763 /nfs/dbraw/zinc/31/47/63/599314763.db2.gz VTRSWOVRCOABPL-UHFFFAOYSA-N 0 1 385.327 2.392 20 0 GEADMN COc1ccc(CNCc2cc(OC)c(OC)cc2OC)cc1-c1nn[nH]n1 ZINC000821723672 599393203 /nfs/dbraw/zinc/39/32/03/599393203.db2.gz HLTDFWGGHWUBEO-UHFFFAOYSA-N 0 1 385.424 2.191 20 0 GEADMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCCC2)c1-c1nn[nH]n1 ZINC000737202020 599507418 /nfs/dbraw/zinc/50/74/18/599507418.db2.gz INNBCDYJKBOFNU-UHFFFAOYSA-N 0 1 383.431 2.448 20 0 GEADMN CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736799735 599535593 /nfs/dbraw/zinc/53/55/93/599535593.db2.gz XFTKSENXDAXFLI-UHFFFAOYSA-N 0 1 398.902 2.174 20 0 GEADMN COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)CN1CCCC[C@H]1C ZINC000736988513 599577750 /nfs/dbraw/zinc/57/77/50/599577750.db2.gz STECJLNIFHPKTA-CYBMUJFWSA-N 0 1 389.504 2.134 20 0 GEADMN c1cnn(CC2CCN(Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC2)c1 ZINC000738450226 599579880 /nfs/dbraw/zinc/57/98/80/599579880.db2.gz YCSCXLKKKUJJIP-UHFFFAOYSA-N 0 1 389.467 2.296 20 0 GEADMN CC[C@@H](C)OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1 ZINC000736323004 599603976 /nfs/dbraw/zinc/60/39/76/599603976.db2.gz ACKPWYHSOVNZRG-ZCFIWIBFSA-N 0 1 377.348 2.420 20 0 GEADMN CCN(CCc1ccccn1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821215812 599636527 /nfs/dbraw/zinc/63/65/27/599636527.db2.gz VMQTVUYMGYLGFR-UHFFFAOYSA-N 0 1 376.424 2.376 20 0 GEADMN O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822997604 599640738 /nfs/dbraw/zinc/64/07/38/599640738.db2.gz SVXHYDWUWJCOGO-YOEHRIQHSA-N 0 1 392.467 2.255 20 0 GEADMN O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822997604 599640739 /nfs/dbraw/zinc/64/07/39/599640739.db2.gz SVXHYDWUWJCOGO-YOEHRIQHSA-N 0 1 392.467 2.255 20 0 GEADMN O=C(CN1CC[C@@H](COCc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822991886 599642074 /nfs/dbraw/zinc/64/20/74/599642074.db2.gz HZPKOEVAKDDKBN-QGZVFWFLSA-N 0 1 392.463 2.344 20 0 GEADMN O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1)OCC1CCC1 ZINC000823060712 599650804 /nfs/dbraw/zinc/65/08/04/599650804.db2.gz IMWALDNVGLXFCP-UHFFFAOYSA-N 0 1 389.359 2.422 20 0 GEADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC000819858045 599695831 /nfs/dbraw/zinc/69/58/31/599695831.db2.gz YSFMQANQPLGWDM-INIZCTEOSA-N 0 1 391.479 2.100 20 0 GEADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736794581 599722246 /nfs/dbraw/zinc/72/22/46/599722246.db2.gz QRYPBJQIPRVAFV-ZDUSSCGKSA-N 0 1 394.447 2.482 20 0 GEADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736796724 599724839 /nfs/dbraw/zinc/72/48/39/599724839.db2.gz YYWLRFJLTUSUPW-NEPJUHHUSA-N 0 1 380.420 2.091 20 0 GEADMN CN(CCCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C(=O)[O-] ZINC000737426006 599741044 /nfs/dbraw/zinc/74/10/44/599741044.db2.gz MTFMKTJHQPJPPC-UHFFFAOYSA-N 0 1 396.919 2.358 20 0 GEADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738669165 599764984 /nfs/dbraw/zinc/76/49/84/599764984.db2.gz BCYMGUAWROGCKG-DZGCQCFKSA-N 0 1 376.434 2.283 20 0 GEADMN Cc1[nH]c(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738157584 599764983 /nfs/dbraw/zinc/76/49/83/599764983.db2.gz BFNFSHPBOMMLFU-UHFFFAOYSA-N 0 1 398.507 2.220 20 0 GEADMN C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737440955 599771494 /nfs/dbraw/zinc/77/14/94/599771494.db2.gz KCECJNFYDKJQNH-LBPRGKRZSA-N 0 1 388.251 2.381 20 0 GEADMN CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736952976 599784456 /nfs/dbraw/zinc/78/44/56/599784456.db2.gz YRKBAUHASBKDLV-MRXNPFEDSA-N 0 1 390.484 2.021 20 0 GEADMN CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736952997 599785703 /nfs/dbraw/zinc/78/57/03/599785703.db2.gz ZDZTYPZOSLBWMT-WBVHZDCISA-N 0 1 389.496 2.018 20 0 GEADMN CN(CC[N@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000737441529 599793444 /nfs/dbraw/zinc/79/34/44/599793444.db2.gz QCHPNQHXELIMOL-FQEVSTJZSA-N 0 1 381.476 2.093 20 0 GEADMN CN(CC[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000737441529 599793445 /nfs/dbraw/zinc/79/34/45/599793445.db2.gz QCHPNQHXELIMOL-FQEVSTJZSA-N 0 1 381.476 2.093 20 0 GEADMN O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739282597 599799885 /nfs/dbraw/zinc/79/98/85/599799885.db2.gz DGOZMBDOHPTSSN-GFCCVEGCSA-N 0 1 394.493 2.349 20 0 GEADMN O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739282597 599799888 /nfs/dbraw/zinc/79/98/88/599799888.db2.gz DGOZMBDOHPTSSN-GFCCVEGCSA-N 0 1 394.493 2.349 20 0 GEADMN COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000738008082 599858690 /nfs/dbraw/zinc/85/86/90/599858690.db2.gz ATGVGMARXTVVQY-HNNXBMFYSA-N 0 1 393.237 2.472 20 0 GEADMN O=C([O-])N1CCC[C@@H](NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000739929679 599872099 /nfs/dbraw/zinc/87/20/99/599872099.db2.gz XMSYMABNQMJYRB-LJQANCHMSA-N 0 1 388.512 2.479 20 0 GEADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](C)[C@@H](CO)c1ccccc1 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20 0 GEADMN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000740643174 601940449 /nfs/dbraw/zinc/94/04/49/601940449.db2.gz NSAAQOOPADAWHS-VIFPVBQESA-N 0 1 385.346 2.110 20 0 GEADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000740643174 601940450 /nfs/dbraw/zinc/94/04/50/601940450.db2.gz NSAAQOOPADAWHS-VIFPVBQESA-N 0 1 385.346 2.110 20 0 GEADMN CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000739322422 601941612 /nfs/dbraw/zinc/94/16/12/601941612.db2.gz ODASYNJKIYQTNC-QGZVFWFLSA-N 0 1 388.468 2.348 20 0 GEADMN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000740644528 601958594 /nfs/dbraw/zinc/95/85/94/601958594.db2.gz ZBZTYBHQIPXWIS-DZGCQCFKSA-N 0 1 386.408 2.140 20 0 GEADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000740644528 601958597 /nfs/dbraw/zinc/95/85/97/601958597.db2.gz ZBZTYBHQIPXWIS-DZGCQCFKSA-N 0 1 386.408 2.140 20 0 GEADMN 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C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000826005480 604758595 /nfs/dbraw/zinc/75/85/95/604758595.db2.gz XOYPKSNGPAXNDX-WMLDXEAASA-N 0 1 389.496 2.016 20 0 GEADMN COc1cc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)sc1Br ZINC000630220557 604768960 /nfs/dbraw/zinc/76/89/60/604768960.db2.gz PFRBIUDVYWTTBN-VIFPVBQESA-N 0 1 391.287 2.140 20 0 GEADMN C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)[O-])CC1)c1cc(Br)ccc1F ZINC000825483785 604772041 /nfs/dbraw/zinc/77/20/41/604772041.db2.gz AJWQOLUJZWSWNY-SNVBAGLBSA-N 0 1 388.237 2.061 20 0 GEADMN O=C([O-])c1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000833782712 604788153 /nfs/dbraw/zinc/78/81/53/604788153.db2.gz QESOCCIAJMXMQM-QMTMVMCOSA-N 0 1 393.386 2.211 20 0 GEADMN O=C([O-])c1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000833782712 604788157 /nfs/dbraw/zinc/78/81/57/604788157.db2.gz QESOCCIAJMXMQM-QMTMVMCOSA-N 0 1 393.386 2.211 20 0 GEADMN 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ZINC000833579294 604823251 /nfs/dbraw/zinc/82/32/51/604823251.db2.gz LMGKQXROCVBZAB-AWEZNQCLSA-N 0 1 393.871 2.044 20 0 GEADMN C[C@H](NC(=O)[O-])C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000738993648 604946700 /nfs/dbraw/zinc/94/67/00/604946700.db2.gz FQEVMNQSJWPFFW-RYUDHWBXSA-N 0 1 380.420 2.233 20 0 GEADMN C[C@H](NC(=O)[O-])C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000738993648 604946702 /nfs/dbraw/zinc/94/67/02/604946702.db2.gz FQEVMNQSJWPFFW-RYUDHWBXSA-N 0 1 380.420 2.233 20 0 GEADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000833601958 604948331 /nfs/dbraw/zinc/94/83/31/604948331.db2.gz FVSQUSNNOUKTSR-OVQGTLEDSA-N 0 1 399.535 2.362 20 0 GEADMN CN(C(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1)c1ccccc1C(=O)[O-] ZINC000833684400 604950390 /nfs/dbraw/zinc/95/03/90/604950390.db2.gz ARFYOWWHFPCLQI-UHFFFAOYSA-N 0 1 387.480 2.072 20 0 GEADMN O=C([O-])c1ccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1F ZINC000833309243 604951907 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JTPPSTQOLRMMNT-QRWLVFNGSA-N 0 1 376.497 2.220 20 0 GEADMN C[C@@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)[NH+]1CCSCC1 ZINC000833405107 605012934 /nfs/dbraw/zinc/01/29/34/605012934.db2.gz XRQAXQIEMSQEEM-AWEZNQCLSA-N 0 1 377.510 2.225 20 0 GEADMN CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000833658385 605041707 /nfs/dbraw/zinc/04/17/07/605041707.db2.gz SEHYYZXNGFGSFD-JOYOIKCWSA-N 0 1 380.388 2.022 20 0 GEADMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833624910 605047198 /nfs/dbraw/zinc/04/71/98/605047198.db2.gz MCIKAFQFIIURKO-RNCFNFMXSA-N 0 1 392.399 2.165 20 0 GEADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000833626287 605058414 /nfs/dbraw/zinc/05/84/14/605058414.db2.gz POPPKKMQRNROBI-CYBMUJFWSA-N 0 1 382.530 2.174 20 0 GEADMN C[C@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000820114358 605058657 /nfs/dbraw/zinc/05/86/57/605058657.db2.gz MLMVIPHVQYLTKN-HOCLYGCPSA-N 0 1 387.480 2.021 20 0 GEADMN C[C@@H]1C[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000646152323 605088994 /nfs/dbraw/zinc/08/89/94/605088994.db2.gz ZBVBQFTZNLFWDG-AEFFLSMTSA-N 0 1 389.496 2.220 20 0 GEADMN C[C@@H](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379644809 605089042 /nfs/dbraw/zinc/08/90/42/605089042.db2.gz XENMSKVVYQMKHB-INIZCTEOSA-N 0 1 377.485 2.078 20 0 GEADMN C[C@@H](c1ccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)cc1)[NH+]1CCOCC1 ZINC000833548062 605095276 /nfs/dbraw/zinc/09/52/76/605095276.db2.gz KTRYRRFINYRTEA-HNNXBMFYSA-N 0 1 391.468 2.083 20 0 GEADMN CC(C)COc1cccc(OCC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC000833490434 605114320 /nfs/dbraw/zinc/11/43/20/605114320.db2.gz ICKJEYHHXFKHHG-MRXNPFEDSA-N 0 1 378.469 2.108 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739107733 605124792 /nfs/dbraw/zinc/12/47/92/605124792.db2.gz UXBDYDOUVDHBRC-HOTGVXAUSA-N 0 1 375.469 2.422 20 0 GEADMN C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C 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ZINC000834007192 605893434 /nfs/dbraw/zinc/89/34/34/605893434.db2.gz IPELEIRIZUMILV-UHFFFAOYSA-N 0 1 393.459 2.177 20 0 GEADMN O=C([O-])N1CCC2(CC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000834094139 605898111 /nfs/dbraw/zinc/89/81/11/605898111.db2.gz QTPKTDVCOUSGJO-CYBMUJFWSA-N 0 1 377.407 2.253 20 0 GEADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000834250080 605905578 /nfs/dbraw/zinc/90/55/78/605905578.db2.gz INXFGLFTJWMGHH-MUGJNUQGSA-N 0 1 376.497 2.365 20 0 GEADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739891585 605917948 /nfs/dbraw/zinc/91/79/48/605917948.db2.gz GOESHCAYIAMSEL-WMZOPIPTSA-N 0 1 375.469 2.481 20 0 GEADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739891585 605917949 /nfs/dbraw/zinc/91/79/49/605917949.db2.gz GOESHCAYIAMSEL-WMZOPIPTSA-N 0 1 375.469 2.481 20 0 GEADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000833596154 605934996 /nfs/dbraw/zinc/93/49/96/605934996.db2.gz IUFONTBPZLKUQA-WBVHZDCISA-N 0 1 395.459 2.493 20 0 GEADMN O=C([O-])N[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000740595852 605936490 /nfs/dbraw/zinc/93/64/90/605936490.db2.gz WLJKAEOAHGOZLK-WDEREUQCSA-N 0 1 393.665 2.184 20 0 GEADMN COc1ccc2cccc(CC(=O)NCCC[NH+]3CCN(C(=O)[O-])CC3)c2c1 ZINC000833892277 605992393 /nfs/dbraw/zinc/99/23/93/605992393.db2.gz OLFFQVVOXSKRGU-UHFFFAOYSA-N 0 1 385.464 2.193 20 0 GEADMN C[C@@H]1[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CCN1C(=O)[O-] ZINC000833828621 606038552 /nfs/dbraw/zinc/03/85/52/606038552.db2.gz PFOXIRYIVZVMQX-HUUCEWRRSA-N 0 1 388.468 2.215 20 0 GEADMN O[C@@H](CNC1(c2nccs2)CCCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823683126 606094585 /nfs/dbraw/zinc/09/45/85/606094585.db2.gz YVOUNNDQOXKHPV-AWEZNQCLSA-N 0 1 386.481 2.122 20 0 GEADMN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821255369 606124075 /nfs/dbraw/zinc/12/40/75/606124075.db2.gz ZAMMGZOCHYERJC-AWEZNQCLSA-N 0 1 383.456 2.115 20 0 GEADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821255369 606124077 /nfs/dbraw/zinc/12/40/77/606124077.db2.gz ZAMMGZOCHYERJC-AWEZNQCLSA-N 0 1 383.456 2.115 20 0 GEADMN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821255369 606124080 /nfs/dbraw/zinc/12/40/80/606124080.db2.gz ZAMMGZOCHYERJC-AWEZNQCLSA-N 0 1 383.456 2.115 20 0 GEADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821255369 606124081 /nfs/dbraw/zinc/12/40/81/606124081.db2.gz ZAMMGZOCHYERJC-AWEZNQCLSA-N 0 1 383.456 2.115 20 0 GEADMN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821457567 606128150 /nfs/dbraw/zinc/12/81/50/606128150.db2.gz XGSZCPANVJTPGX-NWDGAFQWSA-N 0 1 394.526 2.483 20 0 GEADMN O=C(CCc1nc[nH]n1)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822987534 606156066 /nfs/dbraw/zinc/15/60/66/606156066.db2.gz YWBLKWCRLVHVHD-UHFFFAOYSA-N 0 1 390.407 2.135 20 0 GEADMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3nn(C)cc3-c3nn[nH]n3)[nH]c2c1 ZINC000822271284 606162468 /nfs/dbraw/zinc/16/24/68/606162468.db2.gz UWEKDKHJBORLDV-CQSZACIVSA-N 0 1 392.427 2.154 20 0 GEADMN Cc1nc([C@@H]2CN(c3c(-c4nn[nH]n4)cnc4c(C)cc(C)cc43)CCO2)n[nH]1 ZINC000822195201 606198395 /nfs/dbraw/zinc/19/83/95/606198395.db2.gz JYPFASGPPWJEND-HNNXBMFYSA-N 0 1 391.439 2.036 20 0 GEADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000822636443 606275690 /nfs/dbraw/zinc/27/56/90/606275690.db2.gz DNEIGJOBLWVVIO-UHFFFAOYSA-N 0 1 399.886 2.253 20 0 GEADMN C[C@@H](NC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1)c1nnc[nH]1 ZINC000820395957 606290221 /nfs/dbraw/zinc/29/02/21/606290221.db2.gz ALCLMKNGAGCHJY-GFCCVEGCSA-N 0 1 390.407 2.055 20 0 GEADMN O=C(NCc1c[nH]nn1)c1cccc(Oc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000823229591 606298115 /nfs/dbraw/zinc/29/81/15/606298115.db2.gz ZPULOMQVRKPWIU-UHFFFAOYSA-N 0 1 396.798 2.361 20 0 GEADMN CC(C)(C)c1n[nH]c(S[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)n1 ZINC000819971860 606310190 /nfs/dbraw/zinc/31/01/90/606310190.db2.gz UYKBNFIEWQJFBS-SECBINFHSA-N 0 1 390.498 2.241 20 0 GEADMN CC(C)N1CCC[C@@H](N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000820132921 606374775 /nfs/dbraw/zinc/37/47/75/606374775.db2.gz OHCKQZWVRTWQGK-GOSISDBHSA-N 0 1 384.484 2.109 20 0 GEADMN Oc1cccc(CN2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823732702 606375823 /nfs/dbraw/zinc/37/58/23/606375823.db2.gz OKPANHIUJNPNBF-UHFFFAOYSA-N 0 1 394.479 2.159 20 0 GEADMN C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820364898 606383165 /nfs/dbraw/zinc/38/31/65/606383165.db2.gz GAGISGFHNRHAMC-AWEZNQCLSA-N 0 1 397.458 2.498 20 0 GEADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccccc2)CC1 ZINC000820274601 606408966 /nfs/dbraw/zinc/40/89/66/606408966.db2.gz JCEVTKCQPLUFLA-HNNXBMFYSA-N 0 1 383.525 2.229 20 0 GEADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccccc2)CC1 ZINC000820274601 606408968 /nfs/dbraw/zinc/40/89/68/606408968.db2.gz JCEVTKCQPLUFLA-HNNXBMFYSA-N 0 1 383.525 2.229 20 0 GEADMN O[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)COc1ccc(C(F)(F)F)cc1 ZINC000823689313 606413295 /nfs/dbraw/zinc/41/32/95/606413295.db2.gz DMRSLYMDSFCFQM-NSHDSACASA-N 0 1 399.398 2.477 20 0 GEADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)COc1ccc(C(F)(F)F)cc1 ZINC000823689313 606413297 /nfs/dbraw/zinc/41/32/97/606413297.db2.gz DMRSLYMDSFCFQM-NSHDSACASA-N 0 1 399.398 2.477 20 0 GEADMN O[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)COc1cccc(C(F)(F)F)c1 ZINC000823690002 606413437 /nfs/dbraw/zinc/41/34/37/606413437.db2.gz KJFFWTOBPVDWAJ-LLVKDONJSA-N 0 1 399.398 2.477 20 0 GEADMN O[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)COc1cccc(C(F)(F)F)c1 ZINC000823690002 606413439 /nfs/dbraw/zinc/41/34/39/606413439.db2.gz KJFFWTOBPVDWAJ-LLVKDONJSA-N 0 1 399.398 2.477 20 0 GEADMN CC[C@@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(C)c1 ZINC000820907522 606416187 /nfs/dbraw/zinc/41/61/87/606416187.db2.gz DVDOWVQRAQIMQC-FUHWJXTLSA-N 0 1 380.452 2.149 20 0 GEADMN OC[C@]1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCN(Cc2ccccc2)C1 ZINC000823713091 606421095 /nfs/dbraw/zinc/42/10/95/606421095.db2.gz CSVBTSQITRGNGG-IBGZPJMESA-N 0 1 384.509 2.045 20 0 GEADMN OC[C@]1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCN(Cc2ccccc2)C1 ZINC000823713091 606421097 /nfs/dbraw/zinc/42/10/97/606421097.db2.gz CSVBTSQITRGNGG-IBGZPJMESA-N 0 1 384.509 2.045 20 0 GEADMN COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC000821723919 606426045 /nfs/dbraw/zinc/42/60/45/606426045.db2.gz MRIXJEWIYBGEHW-GFCCVEGCSA-N 0 1 386.481 2.314 20 0 GEADMN COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC000821723919 606426046 /nfs/dbraw/zinc/42/60/46/606426046.db2.gz MRIXJEWIYBGEHW-GFCCVEGCSA-N 0 1 386.481 2.314 20 0 GEADMN CC1CC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)C1 ZINC000820658296 606577863 /nfs/dbraw/zinc/57/78/63/606577863.db2.gz RGCQUYSBHBPKHT-UHFFFAOYSA-N 0 1 397.439 2.246 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000822534877 606586018 /nfs/dbraw/zinc/58/60/18/606586018.db2.gz AVPQKSKDPYRVCV-KGLIPLIRSA-N 0 1 383.456 2.161 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000822534877 606586019 /nfs/dbraw/zinc/58/60/19/606586019.db2.gz AVPQKSKDPYRVCV-KGLIPLIRSA-N 0 1 383.456 2.161 20 0 GEADMN C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1(N2CCOCC2)CCCC1 ZINC000820372735 606645640 /nfs/dbraw/zinc/64/56/40/606645640.db2.gz BLTKHQKQCXWNSM-CQSZACIVSA-N 0 1 385.472 2.022 20 0 GEADMN Cc1cc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)nc2)n[nH]1 ZINC000822199653 606669500 /nfs/dbraw/zinc/66/95/00/606669500.db2.gz CDZOUDBGXNSLCS-UHFFFAOYSA-N 0 1 376.380 2.267 20 0 GEADMN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821896874 606769563 /nfs/dbraw/zinc/76/95/63/606769563.db2.gz CXYNIYFHPDTJTC-XJKSGUPXSA-N 0 1 378.436 2.331 20 0 GEADMN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820404508 606778757 /nfs/dbraw/zinc/77/87/57/606778757.db2.gz WRVKWFDRBONUBD-WDEREUQCSA-N 0 1 390.513 2.149 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN(C)Cc1c(C)nc2sccn12 ZINC000821702526 606788445 /nfs/dbraw/zinc/78/84/45/606788445.db2.gz WJQNSKZTBTWKHX-UHFFFAOYSA-N 0 1 399.480 2.404 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000822535335 606818911 /nfs/dbraw/zinc/81/89/11/606818911.db2.gz NRANVDXAYKRPHQ-JSGCOSHPSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000822535335 606818913 /nfs/dbraw/zinc/81/89/13/606818913.db2.gz NRANVDXAYKRPHQ-JSGCOSHPSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000822535335 606818915 /nfs/dbraw/zinc/81/89/15/606818915.db2.gz NRANVDXAYKRPHQ-JSGCOSHPSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000822535335 606818916 /nfs/dbraw/zinc/81/89/16/606818916.db2.gz NRANVDXAYKRPHQ-JSGCOSHPSA-N 0 1 383.456 2.017 20 0 GEADMN CCC[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821040865 606861155 /nfs/dbraw/zinc/86/11/55/606861155.db2.gz TZKVMMSMECJZBW-HNNXBMFYSA-N 0 1 397.483 2.101 20 0 GEADMN c1ccc2c(c1)nc(N[C@H]1CCCC[C@@H]1N1CCOCC1)cc2-c1nn[nH]n1 ZINC000823792582 606877831 /nfs/dbraw/zinc/87/78/31/606877831.db2.gz YIWFTHYMWULNDS-ROUUACIJSA-N 0 1 379.468 2.470 20 0 GEADMN Cc1sc(NC(=O)CN(C)CCC2CCOCC2)c(-c2nn[nH]n2)c1C ZINC000822558032 606880909 /nfs/dbraw/zinc/88/09/09/606880909.db2.gz LPXUTMVOOKVGLQ-UHFFFAOYSA-N 0 1 378.502 2.232 20 0 GEADMN CS[C@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821949930 606892486 /nfs/dbraw/zinc/89/24/86/606892486.db2.gz JWHGZASNBIZRHR-ZJUUUORDSA-N 0 1 389.453 2.097 20 0 GEADMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822370202 607034924 /nfs/dbraw/zinc/03/49/24/607034924.db2.gz SWJPZWJQTCFFIO-UHFFFAOYSA-N 0 1 381.421 2.162 20 0 GEADMN O[C@]12CCCC[C@H]1CN(Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000823698733 607075614 /nfs/dbraw/zinc/07/56/14/607075614.db2.gz QUQZIDBYPMTHAD-KXBFYZLASA-N 0 1 381.440 2.044 20 0 GEADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821637453 607087237 /nfs/dbraw/zinc/08/72/37/607087237.db2.gz GQQJGPFXVKNQCZ-QWHCGFSZSA-N 0 1 386.481 2.187 20 0 GEADMN COCCN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C)o1 ZINC000821689209 607125639 /nfs/dbraw/zinc/12/56/39/607125639.db2.gz PRWWTVKQCOWTDX-UHFFFAOYSA-N 0 1 384.440 2.245 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000822200265 607167985 /nfs/dbraw/zinc/16/79/85/607167985.db2.gz ZZFNKRJPDNVDRT-YVEFUNNKSA-N 0 1 383.456 2.049 20 0 GEADMN OC[C@H]1CCN(Cc2ccccc2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823713046 607175205 /nfs/dbraw/zinc/17/52/05/607175205.db2.gz CMDZAUCTXZVWIB-RHSMWYFYSA-N 0 1 399.886 2.210 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1Oc1cccc(F)c1 ZINC000823136212 607209953 /nfs/dbraw/zinc/20/99/53/607209953.db2.gz OOQITYUDWDYIEX-UHFFFAOYSA-N 0 1 380.343 2.028 20 0 GEADMN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)C1 ZINC000820697637 607211092 /nfs/dbraw/zinc/21/10/92/607211092.db2.gz JUDWWHSLHMAGCM-CZUORRHYSA-N 0 1 396.455 2.192 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)n[nH]1 ZINC000822200039 607213505 /nfs/dbraw/zinc/21/35/05/607213505.db2.gz RQDHABVBURBFCW-NSHDSACASA-N 0 1 384.444 2.438 20 0 GEADMN C[C@@H](Oc1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000820548853 607217229 /nfs/dbraw/zinc/21/72/29/607217229.db2.gz GUDWXOCRCPGGDM-CYBMUJFWSA-N 0 1 390.407 2.237 20 0 GEADMN CC(C)(C)c1nc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2s1 ZINC000819965342 607219889 /nfs/dbraw/zinc/21/98/89/607219889.db2.gz CERZWQVFQRPXTN-UHFFFAOYSA-N 0 1 383.441 2.004 20 0 GEADMN c1nnc([C@H]2CCC[N@H+](CCOc3ccccc3-c3nn[nH]n3)C2)n1C1CC1 ZINC000823772368 607237081 /nfs/dbraw/zinc/23/70/81/607237081.db2.gz KJALRPKBXYCKHS-AWEZNQCLSA-N 0 1 380.456 2.052 20 0 GEADMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820804588 607238007 /nfs/dbraw/zinc/23/80/07/607238007.db2.gz VMRXCUIGSRKYJK-GOEBONIOSA-N 0 1 384.484 2.109 20 0 GEADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(c2ccccn2)CC1 ZINC000824047103 607830450 /nfs/dbraw/zinc/83/04/50/607830450.db2.gz XIHFMFIMHWPUDJ-CQSZACIVSA-N 0 1 377.452 2.468 20 0 GEADMN CCc1nc(-c2ccccc2NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000825740579 607879807 /nfs/dbraw/zinc/87/98/07/607879807.db2.gz VKRLKIBZNIVGLY-UHFFFAOYSA-N 0 1 396.436 2.015 20 0 GEADMN CC[C@H]1C[N@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212951 607942336 /nfs/dbraw/zinc/94/23/36/607942336.db2.gz VDBFOSAXARNDKB-LSDHHAIUSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@H]1C[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212951 607942337 /nfs/dbraw/zinc/94/23/37/607942337.db2.gz VDBFOSAXARNDKB-LSDHHAIUSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@H]1C[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212951 607942338 /nfs/dbraw/zinc/94/23/38/607942338.db2.gz VDBFOSAXARNDKB-LSDHHAIUSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@H]1C[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212951 607942339 /nfs/dbraw/zinc/94/23/39/607942339.db2.gz VDBFOSAXARNDKB-LSDHHAIUSA-N 0 1 387.488 2.387 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCc3c(F)cccc3C2)cc1-c1nn[nH]n1 ZINC000826229502 607962489 /nfs/dbraw/zinc/96/24/89/607962489.db2.gz HCKIUVCXIRIEIP-UHFFFAOYSA-N 0 1 386.412 2.027 20 0 GEADMN C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764688 608035118 /nfs/dbraw/zinc/03/51/18/608035118.db2.gz XKGVDEBIWNRTAM-SNVBAGLBSA-N 0 1 392.414 2.399 20 0 GEADMN C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764688 608035119 /nfs/dbraw/zinc/03/51/19/608035119.db2.gz XKGVDEBIWNRTAM-SNVBAGLBSA-N 0 1 392.414 2.399 20 0 GEADMN C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764688 608035120 /nfs/dbraw/zinc/03/51/20/608035120.db2.gz XKGVDEBIWNRTAM-SNVBAGLBSA-N 0 1 392.414 2.399 20 0 GEADMN C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764688 608035121 /nfs/dbraw/zinc/03/51/21/608035121.db2.gz XKGVDEBIWNRTAM-SNVBAGLBSA-N 0 1 392.414 2.399 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1ccc2ccccc2c1 ZINC000825935024 608036753 /nfs/dbraw/zinc/03/67/53/608036753.db2.gz SDRDBGBWHTVJRK-UHFFFAOYSA-N 0 1 392.467 2.269 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1ccc2ccccc2c1 ZINC000825935024 608036754 /nfs/dbraw/zinc/03/67/54/608036754.db2.gz SDRDBGBWHTVJRK-UHFFFAOYSA-N 0 1 392.467 2.269 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1ccc2ccccc2c1 ZINC000825935024 608036755 /nfs/dbraw/zinc/03/67/55/608036755.db2.gz SDRDBGBWHTVJRK-UHFFFAOYSA-N 0 1 392.467 2.269 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1ccc2ccccc2c1 ZINC000825935024 608036756 /nfs/dbraw/zinc/03/67/56/608036756.db2.gz SDRDBGBWHTVJRK-UHFFFAOYSA-N 0 1 392.467 2.269 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000826256190 608054265 /nfs/dbraw/zinc/05/42/65/608054265.db2.gz XZEUULQHHJYGQC-UHFFFAOYSA-N 0 1 384.343 2.390 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N(CC(F)F)CC2CCC2)cc1-c1nn[nH]n1 ZINC000826229691 608079557 /nfs/dbraw/zinc/07/95/57/608079557.db2.gz NDVFSCUZHYQSMM-UHFFFAOYSA-N 0 1 384.412 2.197 20 0 GEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826258379 608082746 /nfs/dbraw/zinc/08/27/46/608082746.db2.gz JIWCCWLKRGZRDL-QGZVFWFLSA-N 0 1 389.419 2.265 20 0 GEADMN CC(C)c1nc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824358888 608203590 /nfs/dbraw/zinc/20/35/90/608203590.db2.gz RIOFTEUENWQQPJ-LLVKDONJSA-N 0 1 384.444 2.143 20 0 GEADMN CC[C@@H]1CN(CCCOc2cccc(-c3nn[nH]n3)c2)CCN1CC(F)F ZINC000825210191 608257317 /nfs/dbraw/zinc/25/73/17/608257317.db2.gz FULKONSLAJOSDB-OAHLLOKOSA-N 0 1 380.443 2.297 20 0 GEADMN CCC[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CCN1CCOC ZINC000825251898 608272090 /nfs/dbraw/zinc/27/20/90/608272090.db2.gz FVXFXGLNSLBTQI-MRXNPFEDSA-N 0 1 387.488 2.140 20 0 GEADMN C[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(NS(C)(=O)=O)cc1 ZINC000824604405 608285207 /nfs/dbraw/zinc/28/52/07/608285207.db2.gz CJTBSCNYFBTMBL-NSHDSACASA-N 0 1 390.444 2.228 20 0 GEADMN Cc1scc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1C ZINC000826350056 608293536 /nfs/dbraw/zinc/29/35/36/608293536.db2.gz GKBRVSWLCBPSJN-UHFFFAOYSA-N 0 1 399.480 2.373 20 0 GEADMN O=C(NCCN1CCC1)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826437397 608359372 /nfs/dbraw/zinc/35/93/72/608359372.db2.gz JPVHNQIMCCVHSZ-UHFFFAOYSA-N 0 1 377.452 2.039 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000826168100 608368081 /nfs/dbraw/zinc/36/80/81/608368081.db2.gz BTEKFPHPKGOFFJ-OAHLLOKOSA-N 0 1 388.472 2.317 20 0 GEADMN CCc1ccnc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825727867 608459918 /nfs/dbraw/zinc/45/99/18/608459918.db2.gz BPPRBKVOMHUQJF-UHFFFAOYSA-N 0 1 391.479 2.172 20 0 GEADMN Cc1cccc(C)c1OCCNC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826297224 608460448 /nfs/dbraw/zinc/46/04/48/608460448.db2.gz ZESKJGFJRCWPEM-MRXNPFEDSA-N 0 1 394.479 2.329 20 0 GEADMN C[C@H](NCC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564803 608460784 /nfs/dbraw/zinc/46/07/84/608460784.db2.gz WAJHTCAUGOTYEL-MPGHIAIKSA-N 0 1 386.500 2.229 20 0 GEADMN C[C@H](NCC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564805 608460871 /nfs/dbraw/zinc/46/08/71/608460871.db2.gz WAJHTCAUGOTYEL-RLFYNMQTSA-N 0 1 386.500 2.229 20 0 GEADMN Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826299749 608464801 /nfs/dbraw/zinc/46/48/01/608464801.db2.gz SXJZSRHHISZZKF-CQSZACIVSA-N 0 1 393.451 2.482 20 0 GEADMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826291044 608467101 /nfs/dbraw/zinc/46/71/01/608467101.db2.gz MSAXOWXPHKPVDI-AWEZNQCLSA-N 0 1 393.451 2.482 20 0 GEADMN C[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562834 608468711 /nfs/dbraw/zinc/46/87/11/608468711.db2.gz JVJCSMUCUQKQQV-NSHDSACASA-N 0 1 383.481 2.491 20 0 GEADMN CCOc1cccc([C@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825648968 608471918 /nfs/dbraw/zinc/47/19/18/608471918.db2.gz IMEFOYNILYRPHT-AWEZNQCLSA-N 0 1 380.452 2.232 20 0 GEADMN CCCCc1nnc(NC(=O)CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000825296711 608490123 /nfs/dbraw/zinc/49/01/23/608490123.db2.gz TZHAGSWPRWGGQY-NSHDSACASA-N 0 1 386.485 2.350 20 0 GEADMN C[C@H](NCC(=O)N1CCC(c2ccccc2)=N1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554760 608490632 /nfs/dbraw/zinc/49/06/32/608490632.db2.gz RZANKLJFBXFBCF-AWEZNQCLSA-N 0 1 375.436 2.154 20 0 GEADMN CCOC(=O)c1ccc(NC(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825560879 608494156 /nfs/dbraw/zinc/49/41/56/608494156.db2.gz WUZWKHQGNAZGNA-CYBMUJFWSA-N 0 1 394.435 2.333 20 0 GEADMN O=S(=O)(CCN[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)Cc1ccccc1 ZINC000826485072 608504252 /nfs/dbraw/zinc/50/42/52/608504252.db2.gz AWIZTVBIILULHY-LJQANCHMSA-N 0 1 397.504 2.449 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000826412700 608533245 /nfs/dbraw/zinc/53/32/45/608533245.db2.gz ZSBZSIZYQVEFHF-AWEZNQCLSA-N 0 1 394.401 2.246 20 0 GEADMN CCOc1cccc(CNC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000825648848 608533248 /nfs/dbraw/zinc/53/32/48/608533248.db2.gz DUZSCWYJXIVJOG-UHFFFAOYSA-N 0 1 392.463 2.161 20 0 GEADMN CC(C)(NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000824167768 608550323 /nfs/dbraw/zinc/55/03/23/608550323.db2.gz UQPNVJFAGWZYJR-UHFFFAOYSA-N 0 1 386.406 2.286 20 0 GEADMN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826283126 608552389 /nfs/dbraw/zinc/55/23/89/608552389.db2.gz LBXVBTWGVPVWTJ-CYBMUJFWSA-N 0 1 389.456 2.439 20 0 GEADMN Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)nc1 ZINC000826290555 608560003 /nfs/dbraw/zinc/56/00/03/608560003.db2.gz QEHXESKNJFQTGX-UHFFFAOYSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-c4nn[n-]n4)s3)CC2)nc1 ZINC000826290555 608560004 /nfs/dbraw/zinc/56/00/04/608560004.db2.gz QEHXESKNJFQTGX-UHFFFAOYSA-N 0 1 383.481 2.482 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000826184009 608560926 /nfs/dbraw/zinc/56/09/26/608560926.db2.gz HYZPRBQMOYDDGN-CYBMUJFWSA-N 0 1 376.424 2.307 20 0 GEADMN O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826453699 608591310 /nfs/dbraw/zinc/59/13/10/608591310.db2.gz VZCKNUGYQOIPOI-UHFFFAOYSA-N 0 1 387.831 2.359 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Br)c2ccccc12 ZINC000826425775 608592413 /nfs/dbraw/zinc/59/24/13/608592413.db2.gz SWUAUHORRGNHLT-UHFFFAOYSA-N 0 1 399.212 2.013 20 0 GEADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)o1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000825962073 608614924 /nfs/dbraw/zinc/61/49/24/608614924.db2.gz RCTHOCGAVDAFMO-NSHDSACASA-N 0 1 397.357 2.350 20 0 GEADMN CCCCCC(=O)NC1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825268826 608660413 /nfs/dbraw/zinc/66/04/13/608660413.db2.gz ZIJSIGAGTVCWOE-UHFFFAOYSA-N 0 1 396.499 2.175 20 0 GEADMN C/C(=C/c1ccccc1)C[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823943086 608837245 /nfs/dbraw/zinc/83/72/45/608837245.db2.gz MRWVGNDQPPDJSA-RTYFKUQISA-N 0 1 376.468 2.271 20 0 GEADMN C/C(=C/c1ccccc1)C[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823943086 608837247 /nfs/dbraw/zinc/83/72/47/608837247.db2.gz MRWVGNDQPPDJSA-RTYFKUQISA-N 0 1 376.468 2.271 20 0 GEADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000826358019 608848078 /nfs/dbraw/zinc/84/80/78/608848078.db2.gz AJOBFMCWWVKOMG-SFHVURJKSA-N 0 1 392.463 2.125 20 0 GEADMN C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617344 609153445 /nfs/dbraw/zinc/15/34/45/609153445.db2.gz GVLBGDJVPMHDMJ-NSHDSACASA-N 0 1 387.440 2.186 20 0 GEADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824545986 609168742 /nfs/dbraw/zinc/16/87/42/609168742.db2.gz FWFHXIXTQBEPPL-RDTXWAMCSA-N 0 1 394.483 2.490 20 0 GEADMN Cc1ccncc1[C@H](C)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826314783 609169181 /nfs/dbraw/zinc/16/91/81/609169181.db2.gz 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20 0 GEADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[N@H+](C)C1 ZINC000560462890 651310412 /nfs/dbraw/zinc/31/04/12/651310412.db2.gz GJILELCEGAIGFC-JTQLQIEISA-N 0 1 395.308 2.400 20 0 GEADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[N@@H+](C)C1 ZINC000560462890 651310414 /nfs/dbraw/zinc/31/04/14/651310414.db2.gz GJILELCEGAIGFC-JTQLQIEISA-N 0 1 395.308 2.400 20 0 GEADMN COc1c(Br)cc(Br)cc1CNC[C@H](O)[C@H](C)O ZINC000717318567 651475178 /nfs/dbraw/zinc/47/51/78/651475178.db2.gz RWGIATOELWICMO-CPCISQLKSA-N 0 1 383.080 2.052 20 0 GEADMN C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(I)c([O-])c1 ZINC000718962686 651475347 /nfs/dbraw/zinc/47/53/47/651475347.db2.gz RBOJVPGOUJKFSJ-NWDGAFQWSA-N 0 1 386.233 2.306 20 0 GEADMN C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(I)c([O-])c1 ZINC000718962686 651475348 /nfs/dbraw/zinc/47/53/48/651475348.db2.gz RBOJVPGOUJKFSJ-NWDGAFQWSA-N 0 1 386.233 2.306 20 0 GEADMN Ic1cnc(N[C@@H]2CCCN3CCSC[C@H]23)nc1 ZINC000720406044 651475939 /nfs/dbraw/zinc/47/59/39/651475939.db2.gz LTZBRKIYFIVWGV-GHMZBOCLSA-N 0 1 376.267 2.073 20 0 GEADMN CC[C@H]1CN(C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000561613562 651481769 /nfs/dbraw/zinc/48/17/69/651481769.db2.gz GQFHSUZHVFHYPD-NSHDSACASA-N 0 1 388.331 2.135 20 0 GEADMN CC[C@@H]1CN(C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000561613561 651481822 /nfs/dbraw/zinc/48/18/22/651481822.db2.gz GQFHSUZHVFHYPD-LLVKDONJSA-N 0 1 388.331 2.135 20 0 GEADMN CN(CCN1CCCCC1)C(=O)c1ncc(I)s1 ZINC000603429850 651490619 /nfs/dbraw/zinc/49/06/19/651490619.db2.gz SCSNXENEBBJUJL-UHFFFAOYSA-N 0 1 379.267 2.306 20 0 GEADMN Cc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n[nH]1 ZINC000603484436 651496128 /nfs/dbraw/zinc/49/61/28/651496128.db2.gz AFMHRCWTKVRBOI-LBPRGKRZSA-N 0 1 391.269 2.458 20 0 GEADMN CN1C(=O)C[C@@H](NCCn2cc(Br)ccc2=O)c2ccccc21 ZINC000562572096 651496878 /nfs/dbraw/zinc/49/68/78/651496878.db2.gz UEYIUMBCLVLSAN-CQSZACIVSA-N 0 1 376.254 2.308 20 0 GEADMN Cc1ccc(OCc2nc(CNCCCN(C)S(C)(=O)=O)cs2)cc1 ZINC000603512163 651498602 /nfs/dbraw/zinc/49/86/02/651498602.db2.gz SWPAODOFECCHMF-UHFFFAOYSA-N 0 1 383.539 2.402 20 0 GEADMN COc1cc(CN[C@@H](CCSC)C(=O)N(C)C)cc(Br)c1O ZINC000562893911 651503206 /nfs/dbraw/zinc/50/32/06/651503206.db2.gz KBZAYENVKCFIGX-LBPRGKRZSA-N 0 1 391.331 2.463 20 0 GEADMN C[C@@](N)(C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000563075407 651507888 /nfs/dbraw/zinc/50/78/88/651507888.db2.gz GDEGAYSIVDLIJI-YJBOKZPZSA-N 0 1 394.313 2.236 20 0 GEADMN CN(C)c1cccc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)n1 ZINC000563090209 651509162 /nfs/dbraw/zinc/50/91/62/651509162.db2.gz BPCNQVQTOIQEHW-KRWDZBQOSA-N 0 1 377.286 2.400 20 0 GEADMN O=C(CSc1ccc(F)cc1)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000727182379 651515221 /nfs/dbraw/zinc/51/52/21/651515221.db2.gz UIPPERDFFCEQSG-UHFFFAOYSA-N 0 1 380.422 2.483 20 0 GEADMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(Br)c3[O-])CC2)C1 ZINC000604605169 651518768 /nfs/dbraw/zinc/51/87/68/651518768.db2.gz WEZJQLSVECMKAI-CYBMUJFWSA-N 0 1 382.302 2.007 20 0 GEADMN Cc1ccc(NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c2n[nH]cc21 ZINC000604737203 651520728 /nfs/dbraw/zinc/52/07/28/651520728.db2.gz AOVZGQYZEMEYRM-UHFFFAOYSA-N 0 1 379.463 2.217 20 0 GEADMN O=C(c1cc(Br)cc(Cl)c1[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563497898 651527595 /nfs/dbraw/zinc/52/75/95/651527595.db2.gz GDROJCZGCXPPNE-UHFFFAOYSA-N 0 1 385.649 2.494 20 0 GEADMN CN1CCN(C(C)(C)CNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000605047447 651528023 /nfs/dbraw/zinc/52/80/23/651528023.db2.gz KBXZFNCQIMBCBK-UHFFFAOYSA-N 0 1 397.361 2.317 20 0 GEADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644297551 651531788 /nfs/dbraw/zinc/53/17/88/651531788.db2.gz AWCXPEVQYGGTJJ-KCQAQPDRSA-N 0 1 388.917 2.078 20 0 GEADMN COCCN(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000605246226 651533390 /nfs/dbraw/zinc/53/33/90/651533390.db2.gz HVGNBWYAAVDZSC-UHFFFAOYSA-N 0 1 387.933 2.473 20 0 GEADMN O=C(NC1(c2nn[nH]n2)CCCC1)c1[nH]nc2ccc(Br)cc21 ZINC000605531154 651538285 /nfs/dbraw/zinc/53/82/85/651538285.db2.gz VKAAWLLBDCKUQM-UHFFFAOYSA-N 0 1 376.218 2.038 20 0 GEADMN NS(=O)(=O)c1ccc(CNC[C@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000728171440 651539234 /nfs/dbraw/zinc/53/92/34/651539234.db2.gz JZBOXGHYLWUBRW-LBPRGKRZSA-N 0 1 380.413 2.238 20 0 GEADMN NS(=O)(=O)c1ccc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000728170967 651539273 /nfs/dbraw/zinc/53/92/73/651539273.db2.gz CRLRGXVVDFHDEZ-GFCCVEGCSA-N 0 1 396.412 2.117 20 0 GEADMN CN(C1CC1)S(=O)(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000605589165 651541072 /nfs/dbraw/zinc/54/10/72/651541072.db2.gz QCGHFQZJBOXWTI-AWEZNQCLSA-N 0 1 377.432 2.208 20 0 GEADMN C[C@H]1C[C@@H](CO)CCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000564161144 651558587 /nfs/dbraw/zinc/55/85/87/651558587.db2.gz SNBIWYPWYBINMB-GJZGRUSLSA-N 0 1 399.329 2.379 20 0 GEADMN C[C@@H]1CN(C[C@@H](O)CNCc2cc(F)c(F)cc2Br)C[C@H](C)O1 ZINC000644646181 651560851 /nfs/dbraw/zinc/56/08/51/651560851.db2.gz WNUUJXFZJLUJQU-LOWVWBTDSA-N 0 1 393.272 2.287 20 0 GEADMN Cc1ncc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)s1 ZINC000564377363 651563495 /nfs/dbraw/zinc/56/34/95/651563495.db2.gz KMYVGWWMKYQACS-OAHLLOKOSA-N 0 1 389.587 2.334 20 0 GEADMN CCOC(=O)COCCN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564389255 651563935 /nfs/dbraw/zinc/56/39/35/651563935.db2.gz FHVCDJAYFYQDDL-LLVKDONJSA-N 0 1 388.258 2.451 20 0 GEADMN COC(=O)C[C@H](C)CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000564686754 651575428 /nfs/dbraw/zinc/57/54/28/651575428.db2.gz LPAOKDXRODGXFG-SNVBAGLBSA-N 0 1 395.257 2.440 20 0 GEADMN COC(=O)C[C@H](C)CC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000564686754 651575429 /nfs/dbraw/zinc/57/54/29/651575429.db2.gz LPAOKDXRODGXFG-SNVBAGLBSA-N 0 1 395.257 2.440 20 0 GEADMN CN(C)c1cccnc1CNC[C@@H](O)COc1cccc(Br)c1 ZINC000564869615 651581913 /nfs/dbraw/zinc/58/19/13/651581913.db2.gz BDXBRKTXAMAANQ-CQSZACIVSA-N 0 1 380.286 2.440 20 0 GEADMN CC1(C)CN(C(=O)Nc2cnc3c(Br)cccn23)CCN1CCO ZINC000645009434 651582667 /nfs/dbraw/zinc/58/26/67/651582667.db2.gz HIPZXKGSOYOGMQ-UHFFFAOYSA-N 0 1 396.289 2.017 20 0 GEADMN C[N@H+](Cc1cn(CC(=O)[O-])nn1)CC1(c2ccc(Br)cc2)CC1 ZINC000565107724 651588194 /nfs/dbraw/zinc/58/81/94/651588194.db2.gz VVTDPLPHMKLMPS-UHFFFAOYSA-N 0 1 379.258 2.289 20 0 GEADMN C[N@@H+](Cc1cn(CC(=O)[O-])nn1)CC1(c2ccc(Br)cc2)CC1 ZINC000565107724 651588197 /nfs/dbraw/zinc/58/81/97/651588197.db2.gz VVTDPLPHMKLMPS-UHFFFAOYSA-N 0 1 379.258 2.289 20 0 GEADMN Cc1c(S(=O)(=O)NCCN2CC[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000608745204 651604872 /nfs/dbraw/zinc/60/48/72/651604872.db2.gz GGPIBQADRILGEI-ZDUSSCGKSA-N 0 1 382.917 2.454 20 0 GEADMN O=C(NCc1nnc[nH]1)c1cc(I)cc(C(F)(F)F)c1 ZINC000609077010 651609799 /nfs/dbraw/zinc/60/97/99/651609799.db2.gz QQXBVWGDRVPHIP-UHFFFAOYSA-N 0 1 396.110 2.358 20 0 GEADMN CO[C@H](CS(=O)(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000645532237 651617356 /nfs/dbraw/zinc/61/73/56/651617356.db2.gz HCGSMRYJLXELCL-MRXNPFEDSA-N 0 1 376.588 2.083 20 0 GEADMN Cc1cccc2cc(S(=O)(=O)N(C)CCCN3CCN(C)CC3)sc21 ZINC000645545656 651618606 /nfs/dbraw/zinc/61/86/06/651618606.db2.gz CMJQYJUZNOMLNJ-UHFFFAOYSA-N 0 1 381.567 2.468 20 0 GEADMN O=C(CCCCCc1ccc(I)cc1)NCc1nn[nH]n1 ZINC000609532734 651622135 /nfs/dbraw/zinc/62/21/35/651622135.db2.gz PNUMEXHWYLWSHO-UHFFFAOYSA-N 0 1 399.236 2.224 20 0 GEADMN COC(=O)c1sccc1NC(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC000609751127 651630614 /nfs/dbraw/zinc/63/06/14/651630614.db2.gz XJZXRNZLKMPNEJ-UHFFFAOYSA-N 0 1 375.435 2.446 20 0 GEADMN O=C(NC1(c2nn[nH]n2)CCCC1)c1cccc(I)c1 ZINC000609836432 651633582 /nfs/dbraw/zinc/63/35/82/651633582.db2.gz AVZYCIBQOSXTKS-UHFFFAOYSA-N 0 1 383.193 2.004 20 0 GEADMN O=S(=O)(Nc1ncccc1I)c1cncc(F)c1 ZINC000609849020 651634096 /nfs/dbraw/zinc/63/40/96/651634096.db2.gz UVWRUULLRKLSEI-UHFFFAOYSA-N 0 1 379.154 2.021 20 0 GEADMN CN(CN1c2cc(Br)ccc2C(=O)C1=O)[C@H]1CCN(C2CC2)C1 ZINC000732187971 651648063 /nfs/dbraw/zinc/64/80/63/651648063.db2.gz CCOKQPOVLOGRPG-ZDUSSCGKSA-N 0 1 378.270 2.104 20 0 GEADMN C[C@@](N)(C(=O)NC1CCN(CC(F)F)CC1)c1ccc(Br)cc1 ZINC000645805334 651654371 /nfs/dbraw/zinc/65/43/71/651654371.db2.gz BASHMAXCIBRMMM-INIZCTEOSA-N 0 1 390.272 2.469 20 0 GEADMN COC(=O)[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(Br)cc1 ZINC000568189255 651655520 /nfs/dbraw/zinc/65/55/20/651655520.db2.gz BPHXIVUWLVLYGR-IINYFYTJSA-N 0 1 380.242 2.381 20 0 GEADMN C[C@@](O)(CNCCNS(=O)(=O)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000568385234 651664772 /nfs/dbraw/zinc/66/47/72/651664772.db2.gz VKHORKKADOYESE-LLVKDONJSA-N 0 1 395.230 2.175 20 0 GEADMN COc1cc(CNC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c(Br)cc1O ZINC000645924157 651669492 /nfs/dbraw/zinc/66/94/92/651669492.db2.gz LGLWGYMYVQNTML-PHIMTYICSA-N 0 1 386.290 2.397 20 0 GEADMN O=C(/C=C\c1ccc(I)o1)NCCN1CCSCC1 ZINC000732778065 651673262 /nfs/dbraw/zinc/67/32/62/651673262.db2.gz SKEHIZFHNSMOAI-RQOWECAXSA-N 0 1 392.262 2.062 20 0 GEADMN CCc1cc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n[nH]1 ZINC000732792221 651674403 /nfs/dbraw/zinc/67/44/03/651674403.db2.gz RFLJZMMAXGWHEC-LLVKDONJSA-N 0 1 391.269 2.404 20 0 GEADMN CCc1cc(CNC(=O)COc2ccc(I)cc2)n[nH]1 ZINC000732792107 651674511 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COc1ccccc1[C@H](C)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737143155 598960398 /nfs/dbraw/zinc/96/03/98/598960398.db2.gz SQBFSFJKYLGSOC-SUMWQHHRSA-N 0 1 378.436 2.331 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000737033770 598985066 /nfs/dbraw/zinc/98/50/66/598985066.db2.gz YOABQGDNQPKTIO-MRXNPFEDSA-N 0 1 395.467 2.232 20 0 GEADMN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737371318 598986586 /nfs/dbraw/zinc/98/65/86/598986586.db2.gz BPHZDHVIUNCYSK-CRAIPNDOSA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737371318 598986587 /nfs/dbraw/zinc/98/65/87/598986587.db2.gz BPHZDHVIUNCYSK-CRAIPNDOSA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737371318 598986590 /nfs/dbraw/zinc/98/65/90/598986590.db2.gz BPHZDHVIUNCYSK-CRAIPNDOSA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737371318 598986592 /nfs/dbraw/zinc/98/65/92/598986592.db2.gz BPHZDHVIUNCYSK-CRAIPNDOSA-N 0 1 375.436 2.018 20 0 GEADMN CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612299 598994256 /nfs/dbraw/zinc/99/42/56/598994256.db2.gz NHLXNKWLOYNEHE-DLBZAZTESA-N 0 1 384.484 2.475 20 0 GEADMN NC(=O)[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737738510 599011943 /nfs/dbraw/zinc/01/19/43/599011943.db2.gz GHFOXCPDWDFOIU-CYBMUJFWSA-N 0 1 396.411 2.110 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCCc2cc(C)cc(C)c2)cc1-c1nn[nH]n1 ZINC000737186093 599014057 /nfs/dbraw/zinc/01/40/57/599014057.db2.gz GPENZQULGMVVMB-UHFFFAOYSA-N 0 1 384.465 2.279 20 0 GEADMN COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)CC[N@@H+]2C)cc1 ZINC000737075043 599028211 /nfs/dbraw/zinc/02/82/11/599028211.db2.gz IRNCZTQYNJISNY-MAUKXSAKSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)CC[N@H+]2C)cc1 ZINC000737075043 599028213 /nfs/dbraw/zinc/02/82/13/599028213.db2.gz IRNCZTQYNJISNY-MAUKXSAKSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)CC[N@@H+]2C)cc1 ZINC000737075043 599028215 /nfs/dbraw/zinc/02/82/15/599028215.db2.gz IRNCZTQYNJISNY-MAUKXSAKSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)CC[N@H+]2C)cc1 ZINC000737075043 599028217 /nfs/dbraw/zinc/02/82/17/599028217.db2.gz IRNCZTQYNJISNY-MAUKXSAKSA-N 0 1 394.435 2.120 20 0 GEADMN NC(=O)[C@@H](NCCCn1ccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736959 599087311 /nfs/dbraw/zinc/08/73/11/599087311.db2.gz NWDTVFRNUHXHNZ-SFHVURJKSA-N 0 1 375.436 2.028 20 0 GEADMN C[C@H]1CCC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000736244659 599100109 /nfs/dbraw/zinc/10/01/09/599100109.db2.gz LQQQFLJCPLHFRS-GXTWGEPZSA-N 0 1 385.472 2.207 20 0 GEADMN CN(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737441104 599780792 /nfs/dbraw/zinc/78/07/92/599780792.db2.gz PXXYFFUTIGMNDP-CYBMUJFWSA-N 0 1 383.297 2.332 20 0 GEADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCN2CCCC[C@H]2C1 ZINC000819866572 599103888 /nfs/dbraw/zinc/10/38/88/599103888.db2.gz OBGDXKWHOJKQOP-OCCSQVGLSA-N 0 1 389.891 2.017 20 0 GEADMN Cc1cccnc1[C@@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000737436046 599134292 /nfs/dbraw/zinc/13/42/92/599134292.db2.gz QNZCLMMLYKMGIK-SFHVURJKSA-N 0 1 379.468 2.173 20 0 GEADMN Cc1cccnc1[C@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737435277 599134570 /nfs/dbraw/zinc/13/45/70/599134570.db2.gz MFKWXDUBDJANMI-GOSISDBHSA-N 0 1 379.468 2.173 20 0 GEADMN O=C(CN1CCCC2(CCOCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737878431 599145793 /nfs/dbraw/zinc/14/57/93/599145793.db2.gz PKLFUJSLCMPOOO-UHFFFAOYSA-N 0 1 390.875 2.351 20 0 GEADMN COc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)c(C)c1C ZINC000737062463 599229321 /nfs/dbraw/zinc/22/93/21/599229321.db2.gz NHSMNCVQCZQTNU-UHFFFAOYSA-N 0 1 389.437 2.302 20 0 GEADMN CN(CC(=O)[O-])Cn1nc(C[NH+]2CCCCC2)n(Cc2ccccc2)c1=S ZINC000739633893 597054649 /nfs/dbraw/zinc/05/46/49/597054649.db2.gz CGIZYLMHJMCLPI-UHFFFAOYSA-N 0 1 389.525 2.422 20 0 GEADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)c2)CCO1 ZINC000818114215 597059641 /nfs/dbraw/zinc/05/96/41/597059641.db2.gz YYSVYMFXYWEHIM-APWZRJJASA-N 0 1 389.496 2.304 20 0 GEADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)c2)CCO1 ZINC000818114215 597059644 /nfs/dbraw/zinc/05/96/44/597059644.db2.gz YYSVYMFXYWEHIM-APWZRJJASA-N 0 1 389.496 2.304 20 0 GEADMN CCN(C)[C@@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509515 599245266 /nfs/dbraw/zinc/24/52/66/599245266.db2.gz FCGUBVLJRCPRLC-GOSISDBHSA-N 0 1 380.452 2.055 20 0 GEADMN O=C([O-])Cc1cccc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000738624659 597203811 /nfs/dbraw/zinc/20/38/11/597203811.db2.gz DOMXQNUZYNBDFY-UHFFFAOYSA-N 0 1 382.464 2.257 20 0 GEADMN CCn1cc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)cn1 ZINC000737916959 597234637 /nfs/dbraw/zinc/23/46/37/597234637.db2.gz ILHMHABDCSVTIP-UHFFFAOYSA-N 0 1 385.468 2.019 20 0 GEADMN CCn1cc(C[N@H+]2CCCN(C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)cn1 ZINC000737916959 597234638 /nfs/dbraw/zinc/23/46/38/597234638.db2.gz ILHMHABDCSVTIP-UHFFFAOYSA-N 0 1 385.468 2.019 20 0 GEADMN Cc1cc(NC(=O)CSCC(=O)[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000818841897 597314186 /nfs/dbraw/zinc/31/41/86/597314186.db2.gz HBYTVXXDSYHEMH-MRXNPFEDSA-N 0 1 388.493 2.395 20 0 GEADMN C[C@H](C(=O)[O-])N(C)Cn1nc(C[NH+]2CCCC2)n(Cc2ccccc2)c1=S ZINC000817785191 597483547 /nfs/dbraw/zinc/48/35/47/597483547.db2.gz USGDBKUXAUPPAL-OAHLLOKOSA-N 0 1 389.525 2.421 20 0 GEADMN Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C(=O)[O-] ZINC000820991365 597707791 /nfs/dbraw/zinc/70/77/91/597707791.db2.gz CLQVMBLAAIZZSU-CABCVRRESA-N 0 1 387.480 2.401 20 0 GEADMN CCOC(=O)c1sc2nc(C[N@@H+]3CCC[C@@H](CC(=O)[O-])C3)nc(N)c2c1C ZINC000820374596 598162014 /nfs/dbraw/zinc/16/20/14/598162014.db2.gz UAWKDGDYKZSCTA-NSHDSACASA-N 0 1 392.481 2.445 20 0 GEADMN CCOC(=O)c1sc2nc(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)nc(N)c2c1C ZINC000820374596 598162015 /nfs/dbraw/zinc/16/20/15/598162015.db2.gz UAWKDGDYKZSCTA-NSHDSACASA-N 0 1 392.481 2.445 20 0 GEADMN COc1ccccc1CCN(C)[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737150354 598247775 /nfs/dbraw/zinc/24/77/75/598247775.db2.gz PHLVTSZEJCWFSU-CQSZACIVSA-N 0 1 380.452 2.377 20 0 GEADMN C[C@H](C(=O)N1CCCCC1)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735518497 598261489 /nfs/dbraw/zinc/26/14/89/598261489.db2.gz FTVFGLIMOYUPAF-OAHLLOKOSA-N 0 1 384.484 2.111 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000737548300 598288613 /nfs/dbraw/zinc/28/86/13/598288613.db2.gz PMUAHRDWCPEVSZ-OAHLLOKOSA-N 0 1 395.467 2.259 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000737548300 598288614 /nfs/dbraw/zinc/28/86/14/598288614.db2.gz PMUAHRDWCPEVSZ-OAHLLOKOSA-N 0 1 395.467 2.259 20 0 GEADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)NC[C@H](c1ccco1)N1CCCC1 ZINC000738101502 598318665 /nfs/dbraw/zinc/31/86/65/598318665.db2.gz YQOSIAQICXAZPD-MRXNPFEDSA-N 0 1 399.430 2.235 20 0 GEADMN Cc1ccc(N(C)C2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)nn1 ZINC000737346060 598341463 /nfs/dbraw/zinc/34/14/63/598341463.db2.gz CTDAJZYUOJVWSP-UHFFFAOYSA-N 0 1 382.447 2.205 20 0 GEADMN CC(C)Oc1ccc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000735916006 598354529 /nfs/dbraw/zinc/35/45/29/598354529.db2.gz YLYVPONJABGEDL-UHFFFAOYSA-N 0 1 379.468 2.371 20 0 GEADMN O=C(N[C@H]1CCN(C2CC2)C1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738026546 598358254 /nfs/dbraw/zinc/35/82/54/598358254.db2.gz UCXGKOTUZBVPMR-HNNXBMFYSA-N 0 1 394.435 2.005 20 0 GEADMN COc1ccc([C@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1F ZINC000737073801 598453454 /nfs/dbraw/zinc/45/34/54/598453454.db2.gz TVFYEWYBMQZPOI-VIFPVBQESA-N 0 1 376.417 2.365 20 0 GEADMN C[C@](O)(CN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1 ZINC000736138899 598524426 /nfs/dbraw/zinc/52/44/26/598524426.db2.gz SCPBDNGKYXNJFN-FQEVSTJZSA-N 0 1 382.443 2.036 20 0 GEADMN O=S(=O)(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000738345510 598548918 /nfs/dbraw/zinc/54/89/18/598548918.db2.gz PUOOKNLTHDOTGJ-UHFFFAOYSA-N 0 1 385.327 2.408 20 0 GEADMN CC(C)N1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000735880939 598559989 /nfs/dbraw/zinc/55/99/89/598559989.db2.gz DLPIJXDEEODAPS-UHFFFAOYSA-N 0 1 381.387 2.026 20 0 GEADMN Clc1ccc(N2CC[NH+](CCc3cccs3)CC2)nc1-c1nnn[n-]1 ZINC000737573721 598576594 /nfs/dbraw/zinc/57/65/94/598576594.db2.gz AYGAAHPPNOPQKB-UHFFFAOYSA-N 0 1 375.889 2.341 20 0 GEADMN Clc1ccc(N2CC[NH+](CCc3cccs3)CC2)nc1-c1nn[n-]n1 ZINC000737573721 598576595 /nfs/dbraw/zinc/57/65/95/598576595.db2.gz AYGAAHPPNOPQKB-UHFFFAOYSA-N 0 1 375.889 2.341 20 0 GEADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737047335 598593080 /nfs/dbraw/zinc/59/30/80/598593080.db2.gz MCGHLSNSZZMIPY-UHFFFAOYSA-N 0 1 383.792 2.469 20 0 GEADMN CCc1noc(C2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n1 ZINC000736712972 598608328 /nfs/dbraw/zinc/60/83/28/598608328.db2.gz KZBWUTNJWRGCJA-UHFFFAOYSA-N 0 1 382.384 2.444 20 0 GEADMN CC(C)(C)/C=C\C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735592576 598625447 /nfs/dbraw/zinc/62/54/47/598625447.db2.gz BNEIHOIGQTXOSV-SREVYHEPSA-N 0 1 397.439 2.366 20 0 GEADMN Fc1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000737661649 598632279 /nfs/dbraw/zinc/63/22/79/598632279.db2.gz ZVCBUHYFSBYFNI-UHFFFAOYSA-N 0 1 380.427 2.263 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(CCOCCOc2ccccc2)c2ccccc21 ZINC000738370504 598719890 /nfs/dbraw/zinc/71/98/90/598719890.db2.gz DTMIUPLEFMSHIH-UHFFFAOYSA-N 0 1 377.404 2.277 20 0 GEADMN C[C@@H]1CCCCN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736267126 598720751 /nfs/dbraw/zinc/72/07/51/598720751.db2.gz LYQICOXMCOOVCG-LLVKDONJSA-N 0 1 386.843 2.236 20 0 GEADMN Clc1ccc(N2CCC(CCN3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000737576474 598747734 /nfs/dbraw/zinc/74/77/34/598747734.db2.gz RLCCMQQVHNBWCU-UHFFFAOYSA-N 0 1 376.892 2.459 20 0 GEADMN CCOC(=O)c1sc(NC(=O)/C=C/C2CCOCC2)c(-c2nn[nH]n2)c1C ZINC000736605516 598751384 /nfs/dbraw/zinc/75/13/84/598751384.db2.gz NFOVMHDOPGMBLU-SNAWJCMRSA-N 0 1 391.453 2.335 20 0 GEADMN CCc1cc(CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)n[nH]1 ZINC000736675339 598768707 /nfs/dbraw/zinc/76/87/07/598768707.db2.gz JIHACNVHFATJAK-UHFFFAOYSA-N 0 1 384.469 2.077 20 0 GEADMN CN1CCN(c2ccc(CNc3ccc(Cl)cc3-c3nn[nH]n3)cn2)CC1 ZINC000736869261 598792066 /nfs/dbraw/zinc/79/20/66/598792066.db2.gz ZXABEWGJYKAWDA-UHFFFAOYSA-N 0 1 384.875 2.279 20 0 GEADMN O=C(c1ccc(Cl)cn1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738257554 599383577 /nfs/dbraw/zinc/38/35/77/599383577.db2.gz HINDQWNHQCYLCH-UHFFFAOYSA-N 0 1 397.870 2.263 20 0 GEADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820275428 599386100 /nfs/dbraw/zinc/38/61/00/599386100.db2.gz QTEQTSKBGNWXPV-ZBEGNZNMSA-N 0 1 386.843 2.104 20 0 GEADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820275425 599386317 /nfs/dbraw/zinc/38/63/17/599386317.db2.gz QTEQTSKBGNWXPV-BDJLRTHQSA-N 0 1 386.843 2.104 20 0 GEADMN COc1ccc(CN[C@H](CC(=O)N(C)C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805258 599414720 /nfs/dbraw/zinc/41/47/20/599414720.db2.gz SFALHQUJDCUQQZ-QGZVFWFLSA-N 0 1 380.452 2.185 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821970826 599415713 /nfs/dbraw/zinc/41/57/13/599415713.db2.gz SWTPQAHMVQVSHC-ZDUSSCGKSA-N 0 1 396.476 2.394 20 0 GEADMN Clc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)N2CCOCC2)cc1 ZINC000822573995 599421688 /nfs/dbraw/zinc/42/16/88/599421688.db2.gz MTYCLPFFCALSNM-MRXNPFEDSA-N 0 1 388.859 2.276 20 0 GEADMN O=C(NCCC(F)(F)F)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823181905 599472204 /nfs/dbraw/zinc/47/22/04/599472204.db2.gz FOJSZIPKAPIQFN-UHFFFAOYSA-N 0 1 397.405 2.036 20 0 GEADMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737875343 599478287 /nfs/dbraw/zinc/47/82/87/599478287.db2.gz JRFMFMWKDCRGOP-QGZVFWFLSA-N 0 1 394.454 2.187 20 0 GEADMN CCN1CCN(c2ccc(CNc3ccc(F)cc3-c3nn[nH]n3)cn2)CC1 ZINC000821277772 599479711 /nfs/dbraw/zinc/47/97/11/599479711.db2.gz YAGNYBBABDFGHP-UHFFFAOYSA-N 0 1 382.447 2.155 20 0 GEADMN CCC(=O)Nc1cccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736309495 599484325 /nfs/dbraw/zinc/48/43/25/599484325.db2.gz PIFZLJFVKCIDDD-UHFFFAOYSA-N 0 1 376.424 2.153 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CCc2ccc(C)o2)cc1-c1nn[nH]n1 ZINC000821969467 599488895 /nfs/dbraw/zinc/48/88/95/599488895.db2.gz ATIQSBABFGGYCB-VIFPVBQESA-N 0 1 388.453 2.342 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000819939563 599589399 /nfs/dbraw/zinc/58/93/99/599589399.db2.gz GIDMXTCPADFMRT-CQSZACIVSA-N 0 1 376.436 2.495 20 0 GEADMN COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821891123 599643359 /nfs/dbraw/zinc/64/33/59/599643359.db2.gz VYEJKAPENMSVKX-CQSZACIVSA-N 0 1 380.452 2.377 20 0 GEADMN C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000821586980 599651235 /nfs/dbraw/zinc/65/12/35/599651235.db2.gz AERHSMNZVKBLEX-UHFFFAOYSA-N 0 1 376.424 2.030 20 0 GEADMN C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000821586980 599651236 /nfs/dbraw/zinc/65/12/36/599651236.db2.gz AERHSMNZVKBLEX-UHFFFAOYSA-N 0 1 376.424 2.030 20 0 GEADMN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCSc1nnc(C)[nH]1 ZINC000821100179 599692130 /nfs/dbraw/zinc/69/21/30/599692130.db2.gz VFVKALWLIPLXDP-UHFFFAOYSA-N 0 1 386.485 2.214 20 0 GEADMN Cc1nnc(SCCC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)[nH]1 ZINC000822516455 599698045 /nfs/dbraw/zinc/69/80/45/599698045.db2.gz ZWNCAWIUXDINNR-UHFFFAOYSA-N 0 1 388.457 2.201 20 0 GEADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)c2)CC1 ZINC000821627262 599699685 /nfs/dbraw/zinc/69/96/85/599699685.db2.gz UMWZNAWCSNNGGU-UHFFFAOYSA-N 0 1 395.442 2.006 20 0 GEADMN CC(C)C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C(=O)[O-] ZINC000736413413 599716058 /nfs/dbraw/zinc/71/60/58/599716058.db2.gz ULWZKFRKUOQGLJ-KRWDZBQOSA-N 0 1 393.459 2.092 20 0 GEADMN Cc1ccc([C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000738261294 599733791 /nfs/dbraw/zinc/73/37/91/599733791.db2.gz ISDOTBGYLBRWBL-INIZCTEOSA-N 0 1 378.450 2.402 20 0 GEADMN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)[NH+]1CCCC1 ZINC000738119522 599766904 /nfs/dbraw/zinc/76/69/04/599766904.db2.gz IPMSMGDTTYGRGP-CQSZACIVSA-N 0 1 394.449 2.102 20 0 GEADMN C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000736722286 599786813 /nfs/dbraw/zinc/78/68/13/599786813.db2.gz BTKAZNCQADRBDM-INIZCTEOSA-N 0 1 396.443 2.447 20 0 GEADMN CC(=O)c1[nH]c(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C(=O)[O-])c1C ZINC000736179331 599790721 /nfs/dbraw/zinc/79/07/21/599790721.db2.gz CVRDBJPTBXLCMJ-HNNXBMFYSA-N 0 1 387.436 2.313 20 0 GEADMN C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000737517382 599792372 /nfs/dbraw/zinc/79/23/72/599792372.db2.gz AAPCGZODPKKOBQ-KBPBESRZSA-N 0 1 384.274 2.358 20 0 GEADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1=O ZINC000737114592 599835172 /nfs/dbraw/zinc/83/51/72/599835172.db2.gz KQYHZWOYEPVSSQ-GXTWGEPZSA-N 0 1 392.431 2.187 20 0 GEADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1=O ZINC000737114602 599835244 /nfs/dbraw/zinc/83/52/44/599835244.db2.gz KQYHZWOYEPVSSQ-TZMCWYRMSA-N 0 1 392.431 2.187 20 0 GEADMN C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736741335 599839848 /nfs/dbraw/zinc/83/98/48/599839848.db2.gz KJWPZMSWZCUPHQ-KBXCAEBGSA-N 0 1 379.844 2.394 20 0 GEADMN Cc1ccc(N2CCC(C(=O)NCCOc3ccc(C(=O)[O-])cc3)CC2)[nH+]c1 ZINC000738614304 599900081 /nfs/dbraw/zinc/90/00/81/599900081.db2.gz KDPMMEFFGCSORC-UHFFFAOYSA-N 0 1 383.448 2.500 20 0 GEADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000739624063 599905346 /nfs/dbraw/zinc/90/53/46/599905346.db2.gz GWQAJZGQXSOHIC-NHCUHLMSSA-N 0 1 394.471 2.488 20 0 GEADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000739624063 599905347 /nfs/dbraw/zinc/90/53/47/599905347.db2.gz GWQAJZGQXSOHIC-NHCUHLMSSA-N 0 1 394.471 2.488 20 0 GEADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000736369570 599916118 /nfs/dbraw/zinc/91/61/18/599916118.db2.gz SDTRURSHDGCPHG-KRWDZBQOSA-N 0 1 396.919 2.261 20 0 GEADMN CC(C)[C@@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736809277 599921489 /nfs/dbraw/zinc/92/14/89/599921489.db2.gz QTKHVESIPYRRPV-DAYGRLMNSA-N 0 1 378.469 2.014 20 0 GEADMN CC(C)[C@@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736809277 599921492 /nfs/dbraw/zinc/92/14/92/599921492.db2.gz QTKHVESIPYRRPV-DAYGRLMNSA-N 0 1 378.469 2.014 20 0 GEADMN COc1ccc(C2=NN(C(=O)C[NH2+]C(C)(C)C(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000737981386 599925094 /nfs/dbraw/zinc/92/50/94/599925094.db2.gz JSRSFQIUQPFJLV-MRXNPFEDSA-N 0 1 385.420 2.419 20 0 GEADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000184874291 599929566 /nfs/dbraw/zinc/92/95/66/599929566.db2.gz XQDMIPWDKNNOQC-HNNXBMFYSA-N 0 1 378.450 2.402 20 0 GEADMN COc1cccc([C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2C)[NH+](C)C)c1 ZINC000546968088 599929978 /nfs/dbraw/zinc/92/99/78/599929978.db2.gz UUVYRKPHEGUKAQ-KRWDZBQOSA-N 0 1 392.477 2.283 20 0 GEADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)Cc1cccc(F)c1 ZINC000739500136 599941974 /nfs/dbraw/zinc/94/19/74/599941974.db2.gz VSOWWKUIIDOVEZ-MOPGFXCFSA-N 0 1 399.466 2.492 20 0 GEADMN C[C@H](C[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1)C(=O)[O-] ZINC000736579167 599950541 /nfs/dbraw/zinc/95/05/41/599950541.db2.gz QNAGEZWJVPIEPI-CQSZACIVSA-N 0 1 379.888 2.174 20 0 GEADMN O=C([O-])c1ccc(OCCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000740164672 599951335 /nfs/dbraw/zinc/95/13/35/599951335.db2.gz FJCBRDLITMDEBP-FQEVSTJZSA-N 0 1 398.459 2.078 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000738527275 599957614 /nfs/dbraw/zinc/95/76/14/599957614.db2.gz ZJYWQTBIXITIKP-MRXNPFEDSA-N 0 1 383.452 2.023 20 0 GEADMN CCOCC[N@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C[C@@H]1CC ZINC000737177752 599962171 /nfs/dbraw/zinc/96/21/71/599962171.db2.gz RUSPKUHJPJEROC-HNNXBMFYSA-N 0 1 397.541 2.434 20 0 GEADMN COc1cc(-c2nnc(C[NH+]3CCC(C(=O)[O-])CC3)o2)cc(OC)c1OC ZINC000737844859 599967282 /nfs/dbraw/zinc/96/72/82/599967282.db2.gz AZBIUBOWEGOVAN-UHFFFAOYSA-N 0 1 377.397 2.059 20 0 GEADMN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000737517469 599973344 /nfs/dbraw/zinc/97/33/44/599973344.db2.gz ANRPFJRZLPDRML-KBPBESRZSA-N 0 1 377.510 2.432 20 0 GEADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000740199589 600018360 /nfs/dbraw/zinc/01/83/60/600018360.db2.gz RZBYNFQJVYQUMD-UHFFFAOYSA-N 0 1 395.459 2.442 20 0 GEADMN CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000737079315 600018639 /nfs/dbraw/zinc/01/86/39/600018639.db2.gz BRBJBKQKFJWUHQ-UHFFFAOYSA-N 0 1 390.484 2.101 20 0 GEADMN CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000737079315 600018643 /nfs/dbraw/zinc/01/86/43/600018643.db2.gz BRBJBKQKFJWUHQ-UHFFFAOYSA-N 0 1 390.484 2.101 20 0 GEADMN Cc1cc(NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000738442172 600019124 /nfs/dbraw/zinc/01/91/24/600019124.db2.gz NRJQQTCUTUQQEI-SFHVURJKSA-N 0 1 383.448 2.234 20 0 GEADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736790098 600034531 /nfs/dbraw/zinc/03/45/31/600034531.db2.gz UCARUTAYOFSSLC-CRAIPNDOSA-N 0 1 375.469 2.056 20 0 GEADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000736790060 600034890 /nfs/dbraw/zinc/03/48/90/600034890.db2.gz SWXKIVIDHGKLJD-MAUKXSAKSA-N 0 1 375.469 2.056 20 0 GEADMN Cc1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1C(=O)[O-] ZINC000738416888 600045322 /nfs/dbraw/zinc/04/53/22/600045322.db2.gz XSEOVVUNPHYFJN-CQSZACIVSA-N 0 1 375.469 2.260 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000738520022 600084540 /nfs/dbraw/zinc/08/45/40/600084540.db2.gz UEJHPPOTZJCVDK-ZBFHGGJFSA-N 0 1 397.479 2.438 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000738520022 600084542 /nfs/dbraw/zinc/08/45/42/600084542.db2.gz UEJHPPOTZJCVDK-ZBFHGGJFSA-N 0 1 397.479 2.438 20 0 GEADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000740025762 600093109 /nfs/dbraw/zinc/09/31/09/600093109.db2.gz WPCSSZIGZWJUGN-INIZCTEOSA-N 0 1 383.452 2.222 20 0 GEADMN O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCO1 ZINC000666527381 600098452 /nfs/dbraw/zinc/09/84/52/600098452.db2.gz BWPJNEXRVHHPKK-SJORKVTESA-N 0 1 395.887 2.190 20 0 GEADMN O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCO1 ZINC000666527381 600098454 /nfs/dbraw/zinc/09/84/54/600098454.db2.gz BWPJNEXRVHHPKK-SJORKVTESA-N 0 1 395.887 2.190 20 0 GEADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C2 ZINC000740189573 600104143 /nfs/dbraw/zinc/10/41/43/600104143.db2.gz SMGAPIKWBHCUDU-FQEVSTJZSA-N 0 1 380.444 2.425 20 0 GEADMN CC[C@@]([NH2+]CC(=O)NC(=O)NCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000736919117 600128668 /nfs/dbraw/zinc/12/86/68/600128668.db2.gz YBIIEZZNOJXIPR-SFHVURJKSA-N 0 1 375.450 2.054 20 0 GEADMN CC[C@]([NH2+]CC(=O)NC(=O)Nc1ccc(OC)cc1)(C(=O)[O-])c1ccccc1 ZINC000736916050 600131092 /nfs/dbraw/zinc/13/10/92/600131092.db2.gz HAHDPBJJAQKCAQ-HXUWFJFHSA-N 0 1 385.420 2.323 20 0 GEADMN CC[C@]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)(C(=O)[O-])c1ccccc1 ZINC000736919041 600131600 /nfs/dbraw/zinc/13/16/00/600131600.db2.gz WMXKKLGUQVFDJR-YYFZDKIDSA-N 0 1 375.469 2.371 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)c1C(=O)[O-] ZINC000738236990 600133219 /nfs/dbraw/zinc/13/32/19/600133219.db2.gz QUGNQAMSZDCWMD-DLBZAZTESA-N 0 1 390.528 2.003 20 0 GEADMN 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20 0 GEADMN O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175441 606551041 /nfs/dbraw/zinc/55/10/41/606551041.db2.gz IPFGMGMFYXMVMQ-OAHLLOKOSA-N 0 1 382.493 2.223 20 0 GEADMN CN(C)[C@@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000821579820 606580810 /nfs/dbraw/zinc/58/08/10/606580810.db2.gz PHBQBEDHZHYOLQ-KRWDZBQOSA-N 0 1 384.871 2.482 20 0 GEADMN CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1(C)C ZINC000821677878 606601118 /nfs/dbraw/zinc/60/11/18/606601118.db2.gz FZFOUTOCDWZINO-JIMOISOXSA-N 0 1 390.513 2.147 20 0 GEADMN CC(C)(C)c1cc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)on1 ZINC000819959057 606607314 /nfs/dbraw/zinc/60/73/14/606607314.db2.gz WRIPGXBGOSVUAA-UHFFFAOYSA-N 0 1 393.407 2.106 20 0 GEADMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CSc2c[nH]nn2)c1-c1nn[nH]n1 ZINC000822014879 606608361 /nfs/dbraw/zinc/60/83/61/606608361.db2.gz ATSDLAZZQQZFBW-UHFFFAOYSA-N 0 1 395.452 2.123 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC(Cc3cccc(C)c3)C2)cc1-c1nn[nH]n1 ZINC000821970642 606642892 /nfs/dbraw/zinc/64/28/92/606642892.db2.gz PRWAAEIUBVGARB-UHFFFAOYSA-N 0 1 396.476 2.312 20 0 GEADMN CN(C)[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000821579480 606662216 /nfs/dbraw/zinc/66/22/16/606662216.db2.gz CFTGZAIZRPDHKJ-LBPRGKRZSA-N 0 1 378.408 2.239 20 0 GEADMN C[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCc2ccccc2C1 ZINC000820269546 606668344 /nfs/dbraw/zinc/66/83/44/606668344.db2.gz NAZSJZNBXKOZLV-LBPRGKRZSA-N 0 1 398.417 2.322 20 0 GEADMN Cc1ccc(C)c(OCCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000822232204 606703333 /nfs/dbraw/zinc/70/33/33/606703333.db2.gz WZOMIANBCITPSZ-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1ccc(C)c(OCCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000822232204 606703336 /nfs/dbraw/zinc/70/33/36/606703336.db2.gz WZOMIANBCITPSZ-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1ccc(C)c(OCCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000822232204 606703337 /nfs/dbraw/zinc/70/33/37/606703337.db2.gz WZOMIANBCITPSZ-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1ccc(C)c(OCCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000822232204 606703340 /nfs/dbraw/zinc/70/33/40/606703340.db2.gz WZOMIANBCITPSZ-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN O=C1[C@H](NCc2cc(-c3nn[nH]n3)cs2)CCN1c1c(F)cccc1F ZINC000823511877 606734029 /nfs/dbraw/zinc/73/40/29/606734029.db2.gz IMBVKCOSGUTCFB-CYBMUJFWSA-N 0 1 376.392 2.102 20 0 GEADMN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926642 606742071 /nfs/dbraw/zinc/74/20/71/606742071.db2.gz UREZXKFFIOXIEW-IEBWSBKVSA-N 0 1 382.468 2.229 20 0 GEADMN CCC[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000821040622 606861627 /nfs/dbraw/zinc/86/16/27/606861627.db2.gz NTPPKAROHAEVSI-VLIAUNLRSA-N 0 1 397.483 2.103 20 0 GEADMN O=S(=O)(NCc1ccc(Cl)cc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823577894 606883497 /nfs/dbraw/zinc/88/34/97/606883497.db2.gz CJORJZPCIDYGCY-UHFFFAOYSA-N 0 1 385.783 2.277 20 0 GEADMN CN(Cc1cnn(-c2ccccc2)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821617081 606883904 /nfs/dbraw/zinc/88/39/04/606883904.db2.gz VTKOUHLMZBAMDM-LJQANCHMSA-N 0 1 375.436 2.218 20 0 GEADMN O=S(=O)(NCc1cc2ccccc2[nH]1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578898 606889752 /nfs/dbraw/zinc/88/97/52/606889752.db2.gz VTNZCJSBRSCPOC-UHFFFAOYSA-N 0 1 390.375 2.105 20 0 GEADMN CCC[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccn1 ZINC000821023117 606890414 /nfs/dbraw/zinc/89/04/14/606890414.db2.gz WVKAVTNFXUGLHH-AWEZNQCLSA-N 0 1 394.407 2.360 20 0 GEADMN FC(F)(F)c1ccc(N2CCN(C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723982 606910582 /nfs/dbraw/zinc/91/05/82/606910582.db2.gz VJMJPGTVWABBOZ-CYBMUJFWSA-N 0 1 382.390 2.187 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819940170 606975870 /nfs/dbraw/zinc/97/58/70/606975870.db2.gz QYGNJBNUMDCAIF-ZDUSSCGKSA-N 0 1 376.436 2.495 20 0 GEADMN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CCOC2(CCCC2)C1 ZINC000822505280 607003024 /nfs/dbraw/zinc/00/30/24/607003024.db2.gz GJWQEADDDHWWBE-UHFFFAOYSA-N 0 1 380.456 2.036 20 0 GEADMN O[C@@]12CCCC[C@@H]1CN(Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000823697147 607003323 /nfs/dbraw/zinc/00/33/23/607003323.db2.gz JTRYAGDVMIYUCB-YLJYHZDGSA-N 0 1 379.468 2.315 20 0 GEADMN CC(C)C[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820067324 607022850 /nfs/dbraw/zinc/02/28/50/607022850.db2.gz ICNIHYOLGSUCIV-YOEHRIQHSA-N 0 1 382.468 2.257 20 0 GEADMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000822369164 607035199 /nfs/dbraw/zinc/03/51/99/607035199.db2.gz BXGQUCCGLVBXAB-UHFFFAOYSA-N 0 1 381.421 2.162 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819940401 607069066 /nfs/dbraw/zinc/06/90/66/607069066.db2.gz ZZYQNPVRMPRPNF-AWEZNQCLSA-N 0 1 376.436 2.495 20 0 GEADMN c1cc2nsnc2c(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823752389 607069779 /nfs/dbraw/zinc/06/97/79/607069779.db2.gz ZTTIQLIVKAQEAS-UHFFFAOYSA-N 0 1 392.492 2.189 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1-c1nn[nH]n1 ZINC000821976421 607162728 /nfs/dbraw/zinc/16/27/28/607162728.db2.gz ARGQQHUIFHFPSL-KCPJHIHWSA-N 0 1 394.460 2.005 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000823135954 607211025 /nfs/dbraw/zinc/21/10/25/607211025.db2.gz CBTIYAUQHHBOIK-UHFFFAOYSA-N 0 1 388.819 2.072 20 0 GEADMN Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCC[C@@H](C)C1 ZINC000822352413 607216841 /nfs/dbraw/zinc/21/68/41/607216841.db2.gz ZCAKZRPKQOSHPN-DDUZABMNSA-N 0 1 394.483 2.450 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)c(N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 ZINC000822215319 607226834 /nfs/dbraw/zinc/22/68/34/607226834.db2.gz VRXKGIZEFHDTJI-UHFFFAOYSA-N 0 1 399.886 2.425 20 0 GEADMN CN(C)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccc(F)c1 ZINC000821580034 607231194 /nfs/dbraw/zinc/23/11/94/607231194.db2.gz WYDCDWZYAIDJAK-CQSZACIVSA-N 0 1 389.822 2.087 20 0 GEADMN CN(C)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccs1 ZINC000821579568 607231389 /nfs/dbraw/zinc/23/13/89/607231389.db2.gz GTUNPSWDBJSIEC-LLVKDONJSA-N 0 1 377.861 2.009 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000822535583 607251402 /nfs/dbraw/zinc/25/14/02/607251402.db2.gz XJWQBZCBEQBGHC-CABCVRRESA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822535583 607251403 /nfs/dbraw/zinc/25/14/03/607251403.db2.gz XJWQBZCBEQBGHC-CABCVRRESA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000822535583 607251404 /nfs/dbraw/zinc/25/14/04/607251404.db2.gz XJWQBZCBEQBGHC-CABCVRRESA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822535583 607251405 /nfs/dbraw/zinc/25/14/05/607251405.db2.gz XJWQBZCBEQBGHC-CABCVRRESA-N 0 1 395.467 2.115 20 0 GEADMN CCN1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)C[C@H]1C ZINC000825460502 607825957 /nfs/dbraw/zinc/82/59/57/607825957.db2.gz ZCQCAQWEFJFMFR-LLVKDONJSA-N 0 1 387.513 2.027 20 0 GEADMN CCOc1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000825610211 607871678 /nfs/dbraw/zinc/87/16/78/607871678.db2.gz YZAORZMNNNJJKI-SFHVURJKSA-N 0 1 395.463 2.063 20 0 GEADMN O=C(Nc1nc(-c2cccnc2)ns1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826460357 607928366 /nfs/dbraw/zinc/92/83/66/607928366.db2.gz ZDMIPYFPFRXGCI-UHFFFAOYSA-N 0 1 386.347 2.311 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826175920 607942913 /nfs/dbraw/zinc/94/29/13/607942913.db2.gz VCSSXFCMCVNFFH-SJORKVTESA-N 0 1 399.426 2.201 20 0 GEADMN O=S(=O)(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826493165 608018336 /nfs/dbraw/zinc/01/83/36/608018336.db2.gz WTDMRBILIYACNA-UHFFFAOYSA-N 0 1 395.404 2.250 20 0 GEADMN O=S(=O)(Nc1ccc(Oc2cccnc2)nc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826492939 608018459 /nfs/dbraw/zinc/01/84/59/608018459.db2.gz MIOODTOJPKEGRR-UHFFFAOYSA-N 0 1 395.404 2.250 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826073434 608019412 /nfs/dbraw/zinc/01/94/12/608019412.db2.gz RPNFTEDDBNBZIP-MRVPVSSYSA-N 0 1 394.892 2.199 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826073434 608019413 /nfs/dbraw/zinc/01/94/13/608019413.db2.gz RPNFTEDDBNBZIP-MRVPVSSYSA-N 0 1 394.892 2.199 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826077331 608021947 /nfs/dbraw/zinc/02/19/47/608021947.db2.gz DIXUHBHUGJRQKO-UHFFFAOYSA-N 0 1 396.499 2.221 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826077331 608021948 /nfs/dbraw/zinc/02/19/48/608021948.db2.gz DIXUHBHUGJRQKO-UHFFFAOYSA-N 0 1 396.499 2.221 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3sccc3c2)c1-c1nnn[n-]1 ZINC000826083009 608023099 /nfs/dbraw/zinc/02/30/99/608023099.db2.gz DZACNLOQKQIFPK-UHFFFAOYSA-N 0 1 382.453 2.209 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3sccc3c2)c1-c1nn[n-]n1 ZINC000826083009 608023100 /nfs/dbraw/zinc/02/31/00/608023100.db2.gz DZACNLOQKQIFPK-UHFFFAOYSA-N 0 1 382.453 2.209 20 0 GEADMN C[C@H](NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc[nH]1 ZINC000824487723 608023789 /nfs/dbraw/zinc/02/37/89/608023789.db2.gz CETPQHGBBGNEBU-HNNXBMFYSA-N 0 1 394.483 2.173 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(C(F)(F)F)cc1 ZINC000825935202 608034767 /nfs/dbraw/zinc/03/47/67/608034767.db2.gz WTCDCRPGKJRIDS-UHFFFAOYSA-N 0 1 380.378 2.255 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(C(F)(F)F)cc1 ZINC000825935202 608034768 /nfs/dbraw/zinc/03/47/68/608034768.db2.gz WTCDCRPGKJRIDS-UHFFFAOYSA-N 0 1 380.378 2.255 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(C(F)(F)F)cc1 ZINC000825935202 608034769 /nfs/dbraw/zinc/03/47/69/608034769.db2.gz WTCDCRPGKJRIDS-UHFFFAOYSA-N 0 1 380.378 2.255 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(C(F)(F)F)cc1 ZINC000825935202 608034770 /nfs/dbraw/zinc/03/47/70/608034770.db2.gz WTCDCRPGKJRIDS-UHFFFAOYSA-N 0 1 380.378 2.255 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCc1c(F)cccc1Cl ZINC000825934241 608034868 /nfs/dbraw/zinc/03/48/68/608034868.db2.gz LDQQZWIQXOMTHO-UHFFFAOYSA-N 0 1 378.843 2.072 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCc1c(F)cccc1Cl ZINC000825934241 608034869 /nfs/dbraw/zinc/03/48/69/608034869.db2.gz LDQQZWIQXOMTHO-UHFFFAOYSA-N 0 1 378.843 2.072 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCc1c(F)cccc1Cl ZINC000825934241 608034870 /nfs/dbraw/zinc/03/48/70/608034870.db2.gz LDQQZWIQXOMTHO-UHFFFAOYSA-N 0 1 378.843 2.072 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCc1c(F)cccc1Cl ZINC000825934241 608034871 /nfs/dbraw/zinc/03/48/71/608034871.db2.gz LDQQZWIQXOMTHO-UHFFFAOYSA-N 0 1 378.843 2.072 20 0 GEADMN CCc1ncnc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000825754867 608077198 /nfs/dbraw/zinc/07/71/98/608077198.db2.gz ITCGSPRKAQPWRY-UHFFFAOYSA-N 0 1 382.447 2.071 20 0 GEADMN CC(C)c1nc([C@@H](C)NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824358328 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C[C@](O)(CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC1 ZINC000524998436 650649437 /nfs/dbraw/zinc/64/94/37/650649437.db2.gz ISYCXIITHXIDLH-INIZCTEOSA-N 0 1 394.273 2.194 20 0 GEADMN O=C(CNC(=O)[C@@H]1CCCc2[nH]ncc21)Nc1cccc(Br)c1 ZINC000482135367 650660727 /nfs/dbraw/zinc/66/07/27/650660727.db2.gz ZXUDRZAALVBAFJ-GFCCVEGCSA-N 0 1 377.242 2.347 20 0 GEADMN CC[C@H](NCc1cnc(C)[nH]c1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481994241 650657915 /nfs/dbraw/zinc/65/79/15/650657915.db2.gz QSPLRSSDVQTHNE-AWEZNQCLSA-N 0 1 384.889 2.293 20 0 GEADMN O=C(NCCN1CCCOCC1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000525850370 650659709 /nfs/dbraw/zinc/65/97/09/650659709.db2.gz SRWDIJNHCCCLMC-CVEARBPZSA-N 0 1 382.302 2.327 20 0 GEADMN O=C(NCCN1CC=CCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000526026440 650663324 /nfs/dbraw/zinc/66/33/24/650663324.db2.gz ULFIZYWLOHIQMP-INIZCTEOSA-N 0 1 392.297 2.180 20 0 GEADMN CN(CC(=O)NCCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCSC1 ZINC000482790334 650668358 /nfs/dbraw/zinc/66/83/58/650668358.db2.gz 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UPLCIZKBKCDQNN-UHFFFAOYSA-N 0 1 389.524 2.082 20 0 GEADMN COCC(C)(C)N1CCN(C(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000424988309 648659636 /nfs/dbraw/zinc/65/96/36/648659636.db2.gz FLPIXWZRVXVYDQ-UHFFFAOYSA-N 0 1 386.290 2.041 20 0 GEADMN COC(=O)c1cc(NC(=O)N2CC[C@@H](c3nc[nH]n3)C2)ccc1Br ZINC000425665031 648688697 /nfs/dbraw/zinc/68/86/97/648688697.db2.gz UKPIINFTXRWACX-SECBINFHSA-N 0 1 394.229 2.375 20 0 GEADMN CSc1n[nH]c(NC(=O)COc2cccc(I)c2)n1 ZINC000426085359 648703207 /nfs/dbraw/zinc/70/32/07/648703207.db2.gz PCHUUPIKFJWPTJ-UHFFFAOYSA-N 0 1 390.206 2.149 20 0 GEADMN CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426107764 648703913 /nfs/dbraw/zinc/70/39/13/648703913.db2.gz BHFDLQKAOYAAIR-SNVBAGLBSA-N 0 1 397.850 2.360 20 0 GEADMN C[C@H]1CN(Cc2ncc(Br)cc2Br)CCN1CCO ZINC000428472741 648734819 /nfs/dbraw/zinc/73/48/19/648734819.db2.gz JLOWKGSLCSFGMS-JTQLQIEISA-N 0 1 393.123 2.105 20 0 GEADMN COCCS(=O)(=O)c1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1 ZINC000428556803 648736311 /nfs/dbraw/zinc/73/63/11/648736311.db2.gz HDTMSBFYCYUSTN-XMMPIXPASA-N 0 1 381.519 2.134 20 0 GEADMN COCCS(=O)(=O)c1ccc(CNCc2ccc([S@](C)=O)cc2)cc1 ZINC000428556802 648736520 /nfs/dbraw/zinc/73/65/20/648736520.db2.gz HDTMSBFYCYUSTN-DEOSSOPVSA-N 0 1 381.519 2.134 20 0 GEADMN CN(C)c1cc(Br)cc(C(=O)NCCCCN2CCOCC2)c1 ZINC000432705139 648778221 /nfs/dbraw/zinc/77/82/21/648778221.db2.gz IDJXNLYAILGVNC-UHFFFAOYSA-N 0 1 384.318 2.357 20 0 GEADMN Cc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1S(C)(=O)=O ZINC000435896470 648789296 /nfs/dbraw/zinc/78/92/96/648789296.db2.gz GUKQMRCQTHKTGO-INIZCTEOSA-N 0 1 380.897 2.238 20 0 GEADMN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C1 ZINC000436775134 648793419 /nfs/dbraw/zinc/79/34/19/648793419.db2.gz OUZMTRDGWAVQAJ-OLZOCXBDSA-N 0 1 386.539 2.389 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)cs1 ZINC000438777598 648803943 /nfs/dbraw/zinc/80/39/43/648803943.db2.gz VYCKQXCNFLGRPG-UHFFFAOYSA-N 0 1 378.435 2.429 20 0 GEADMN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)c1 ZINC000438814741 648805540 /nfs/dbraw/zinc/80/55/40/648805540.db2.gz RDJFCHFTCSMFKN-UHFFFAOYSA-N 0 1 377.447 2.281 20 0 GEADMN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)[C@@H](C)CN1 ZINC000440758325 648812446 /nfs/dbraw/zinc/81/24/46/648812446.db2.gz MCALRFMHWUESFT-RDBSUJKOSA-N 0 1 388.917 2.126 20 0 GEADMN C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(Br)s1 ZINC000442730285 648848089 /nfs/dbraw/zinc/84/80/89/648848089.db2.gz QNQVLTHNACCCEP-OUAUKWLOSA-N 0 1 388.331 2.274 20 0 GEADMN CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000443527369 648880881 /nfs/dbraw/zinc/88/08/81/648880881.db2.gz GEVXMNAATHSGME-UHFFFAOYSA-N 0 1 384.479 2.138 20 0 GEADMN COC(=O)[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1cccnc1 ZINC000548865188 651087977 /nfs/dbraw/zinc/08/79/77/651087977.db2.gz YYYIYFTUPCPGAD-ZDUSSCGKSA-N 0 1 389.209 2.365 20 0 GEADMN CN(Cc1ccc(F)cc1Br)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000549161684 651092785 /nfs/dbraw/zinc/09/27/85/651092785.db2.gz GCZHLRSABOGCNR-NSHDSACASA-N 0 1 379.295 2.302 20 0 GEADMN C[C@@H]1CN(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)[C@@H]1C ZINC000549924514 651103438 /nfs/dbraw/zinc/10/34/38/651103438.db2.gz YQPDLESWRRVAPJ-CHWSQXEVSA-N 0 1 386.359 2.495 20 0 GEADMN C[C@H]1C[C@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)CN1C1CC1 ZINC000550451808 651111735 /nfs/dbraw/zinc/11/17/35/651111735.db2.gz PDHYFMRCNMYJQX-JSGCOSHPSA-N 0 1 381.929 2.290 20 0 GEADMN Cc1ccc2nc(CNC(=O)c3c(I)cnn3C)[nH]c2c1 ZINC000551276153 651121707 /nfs/dbraw/zinc/12/17/07/651121707.db2.gz BXSBLYUSSJWNRL-UHFFFAOYSA-N 0 1 395.204 2.139 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)c[nH]1 ZINC000551354858 651122831 /nfs/dbraw/zinc/12/28/31/651122831.db2.gz BSEMOVYYVDXYJU-UHFFFAOYSA-N 0 1 376.385 2.392 20 0 GEADMN O=C1CC[C@H](NCCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C2CC2)N1 ZINC000551720250 651130615 /nfs/dbraw/zinc/13/06/15/651130615.db2.gz QUMSPEAHMVYPDB-XJKSGUPXSA-N 0 1 391.320 2.414 20 0 GEADMN C[C@H](NC(=O)CCc1nc[nH]n1)c1ccc(Br)cc1OCCCO ZINC000552199639 651143090 /nfs/dbraw/zinc/14/30/90/651143090.db2.gz BXBKFASRJHIPCA-NSHDSACASA-N 0 1 397.273 2.138 20 0 GEADMN Cc1nnsc1CNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000552257928 651144919 /nfs/dbraw/zinc/14/49/19/651144919.db2.gz CQLAUQIDWGCTIU-UHFFFAOYSA-N 0 1 399.217 2.257 20 0 GEADMN O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000552485522 651150523 /nfs/dbraw/zinc/15/05/23/651150523.db2.gz AYKIVONTZOQRJY-AWEZNQCLSA-N 0 1 384.307 2.395 20 0 GEADMN C[C@@H](CN1CCN(C)CC1)NC(=O)CCCOc1cccc(Br)c1 ZINC000553050032 651162862 /nfs/dbraw/zinc/16/28/62/651162862.db2.gz WOERAQMQKCRJKK-HNNXBMFYSA-N 0 1 398.345 2.360 20 0 GEADMN CN(CCCN(C)C(=O)NCc1n[nH]cc1Br)Cc1ccco1 ZINC000553922418 651194366 /nfs/dbraw/zinc/19/43/66/651194366.db2.gz UBPMMBLJTIPTGD-UHFFFAOYSA-N 0 1 384.278 2.429 20 0 GEADMN CC[C@@H](CO)N1CCN(Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000554820380 651213798 /nfs/dbraw/zinc/21/37/98/651213798.db2.gz LRWDJFKHOMPGEQ-HNNXBMFYSA-N 0 1 385.302 2.124 20 0 GEADMN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556137321 651237059 /nfs/dbraw/zinc/23/70/59/651237059.db2.gz KVVXZGTZBRMFHB-JHJVBQTASA-N 0 1 386.480 2.177 20 0 GEADMN CS(=O)(=O)c1ccnc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000556304670 651240444 /nfs/dbraw/zinc/24/04/44/651240444.db2.gz QIHQPHNDCFVXSC-UHFFFAOYSA-N 0 1 394.396 2.446 20 0 GEADMN COC(=O)c1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000556619104 651248086 /nfs/dbraw/zinc/24/80/86/651248086.db2.gz REQKBYIDZYUKAO-QWHCGFSZSA-N 0 1 385.302 2.123 20 0 GEADMN CO[C@H](C)CCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000557191528 651266193 /nfs/dbraw/zinc/26/61/93/651266193.db2.gz GPJGTIAAMMRESF-SNVBAGLBSA-N 0 1 382.262 2.458 20 0 GEADMN CO[C@H](C)CCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000557191528 651266199 /nfs/dbraw/zinc/26/61/99/651266199.db2.gz GPJGTIAAMMRESF-SNVBAGLBSA-N 0 1 382.262 2.458 20 0 GEADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)Nc1nc2ccccc2s1 ZINC000557832677 651274375 /nfs/dbraw/zinc/27/43/75/651274375.db2.gz UWRVITDVQYYLPG-UHFFFAOYSA-N 0 1 383.401 2.492 20 0 GEADMN Cc1nnc(SCC(=O)NCCc2cnc(SC3CCCC3)nc2)[nH]1 ZINC000557954296 651277121 /nfs/dbraw/zinc/27/71/21/651277121.db2.gz QJTANDLLXTWJDW-UHFFFAOYSA-N 0 1 378.527 2.389 20 0 GEADMN Cc1n[nH]c(SCC(=O)NCCc2cnc(SC3CCCC3)nc2)n1 ZINC000557954296 651277126 /nfs/dbraw/zinc/27/71/26/651277126.db2.gz QJTANDLLXTWJDW-UHFFFAOYSA-N 0 1 378.527 2.389 20 0 GEADMN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000558565973 651281662 /nfs/dbraw/zinc/28/16/62/651281662.db2.gz GXMKNBQIPQMNNL-DTWKUNHWSA-N 0 1 386.342 2.042 20 0 GEADMN O=S(=O)(CC[C@H]1CCOC1)NCC1(N2CCSCC2)CCCCC1 ZINC000559032737 651290406 /nfs/dbraw/zinc/29/04/06/651290406.db2.gz MHJNTZJNZFVAJZ-MRXNPFEDSA-N 0 1 376.588 2.084 20 0 GEADMN O=C(NC[C@H](O)COc1ccccc1Br)c1ccc2cncn2c1 ZINC000559546757 651297458 /nfs/dbraw/zinc/29/74/58/651297458.db2.gz MFSZLHFBAHQEDE-AWEZNQCLSA-N 0 1 390.237 2.267 20 0 GEADMN CS(=O)(=O)c1ccnc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000559963680 651302143 /nfs/dbraw/zinc/30/21/43/651302143.db2.gz VKVXFQKNSGRGSE-UHFFFAOYSA-N 0 1 394.396 2.446 20 0 GEADMN CC(C)NC(=O)CN(C)CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000560227108 651305168 /nfs/dbraw/zinc/30/51/68/651305168.db2.gz JMSXILOQASFTAI-UHFFFAOYSA-N 0 1 392.681 2.203 20 0 GEADMN COc1ccc(Br)c(CS(=O)(=O)Nc2cc3ccccn3n2)c1 ZINC000560452600 651310171 /nfs/dbraw/zinc/31/01/71/651310171.db2.gz IGHNVECBNAGJIJ-UHFFFAOYSA-N 0 1 396.266 3.047 20 0 GEADMN CN(C)S(=O)(=O)n1ccnc1CNCC1(Cc2cccc(Cl)c2)CC1 ZINC000560590558 651312061 /nfs/dbraw/zinc/31/20/61/651312061.db2.gz PUGAISFGLVFDSA-UHFFFAOYSA-N 0 1 382.917 2.304 20 0 GEADMN CCNCc1cn([C@H](C)C(=O)Nc2ccc(I)cc2)nn1 ZINC000603190697 651471448 /nfs/dbraw/zinc/47/14/48/651471448.db2.gz DFQMUJLHUKVAIO-SNVBAGLBSA-N 0 1 399.236 2.192 20 0 GEADMN Ic1cnc(N[C@@H]2CCCN3CCSC[C@@H]23)nc1 ZINC000720406045 651476083 /nfs/dbraw/zinc/47/60/83/651476083.db2.gz LTZBRKIYFIVWGV-MNOVXSKESA-N 0 1 376.267 2.073 20 0 GEADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)NCc1c(F)cccc1Cl ZINC000562052608 651487520 /nfs/dbraw/zinc/48/75/20/651487520.db2.gz MAIDWWGMOUEWAD-UHFFFAOYSA-N 0 1 392.786 2.352 20 0 GEADMN COC(=O)c1sc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1C ZINC000603461587 651494759 /nfs/dbraw/zinc/49/47/59/651494759.db2.gz SWFVNEPMTGEPCN-UHFFFAOYSA-N 0 1 389.476 2.047 20 0 GEADMN CC(C)NC(=O)CNC(=S)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000727274850 651517574 /nfs/dbraw/zinc/51/75/74/651517574.db2.gz GLRJEGGKRROCLE-MRXNPFEDSA-N 0 1 382.961 2.466 20 0 GEADMN Cc1nc(C)c(-c2csc(NC(=O)C(=O)NC[C@@H]3CCCN3C)n2)s1 ZINC000563251701 651520449 /nfs/dbraw/zinc/52/04/49/651520449.db2.gz MXUUUJGHEIGMTN-NSHDSACASA-N 0 1 379.511 2.032 20 0 GEADMN CSc1n[nH]c(NC(=O)c2cn(-c3ccccc3Br)nn2)n1 ZINC000727486417 651523015 /nfs/dbraw/zinc/52/30/15/651523015.db2.gz KPPFICWDLRGEOU-UHFFFAOYSA-N 0 1 380.231 2.122 20 0 GEADMN O=C(NCCc1ccc(Br)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000605058485 651528694 /nfs/dbraw/zinc/52/86/94/651528694.db2.gz XKZJLQQGKMGZET-DLBZAZTESA-N 0 1 396.329 2.232 20 0 GEADMN O=C(NCCc1ccc(Br)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000605058487 651528749 /nfs/dbraw/zinc/52/87/49/651528749.db2.gz XKZJLQQGKMGZET-IRXDYDNUSA-N 0 1 396.329 2.232 20 0 GEADMN CN(C)C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)c1ccc(Cl)cc1 ZINC000563541468 651531374 /nfs/dbraw/zinc/53/13/74/651531374.db2.gz RAPRZQWDCWDOEB-ZDUSSCGKSA-N 0 1 384.885 2.412 20 0 GEADMN O=C([O-])c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1Cl ZINC000563541776 651531448 /nfs/dbraw/zinc/53/14/48/651531448.db2.gz BUPPGNQDSGZHAW-UHFFFAOYSA-N 0 1 386.901 2.428 20 0 GEADMN CN(C)C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)c1ccc(Cl)cc1 ZINC000563541467 651531595 /nfs/dbraw/zinc/53/15/95/651531595.db2.gz RAPRZQWDCWDOEB-CYBMUJFWSA-N 0 1 384.885 2.412 20 0 GEADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644297550 651532020 /nfs/dbraw/zinc/53/20/20/651532020.db2.gz AWCXPEVQYGGTJJ-GZBFAFLISA-N 0 1 388.917 2.078 20 0 GEADMN 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/nfs/dbraw/zinc/17/93/85/652179385.db2.gz XDZBJRIRHVZSGW-UHFFFAOYSA-N 0 1 391.273 2.498 20 0 GEADMN COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1SC ZINC000657651489 652185955 /nfs/dbraw/zinc/18/59/55/652185955.db2.gz DXIAUURJUNRFHD-ZDUSSCGKSA-N 0 1 385.917 2.227 20 0 GEADMN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1SC ZINC000657651488 652186103 /nfs/dbraw/zinc/18/61/03/652186103.db2.gz DXIAUURJUNRFHD-CYBMUJFWSA-N 0 1 385.917 2.227 20 0 GEADMN O=C(NCc1cnc[nH]1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000747975537 652187261 /nfs/dbraw/zinc/18/72/61/652187261.db2.gz XWSKDEXRGWMNRZ-UHFFFAOYSA-N 0 1 389.264 2.087 20 0 GEADMN O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(Br)c1[O-] ZINC000748042640 652188534 /nfs/dbraw/zinc/18/85/34/652188534.db2.gz LKYHPWMFQDTJBY-GHMZBOCLSA-N 0 1 389.677 2.401 20 0 GEADMN NS(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000622503374 652195687 /nfs/dbraw/zinc/19/56/87/652195687.db2.gz VFLPBSYGXSBBBL-CYBMUJFWSA-N 0 1 382.438 2.146 20 0 GEADMN Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000657778819 652204615 /nfs/dbraw/zinc/20/46/15/652204615.db2.gz VTAIRBQGGIGCML-SMDDNHRTSA-N 0 1 398.276 2.388 20 0 GEADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3F)[C@H]2C1 ZINC000657777913 652204836 /nfs/dbraw/zinc/20/48/36/652204836.db2.gz FIEWEHNGAWQWEI-MFKMUULPSA-N 0 1 384.249 2.079 20 0 GEADMN Cc1nnc(SCC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)[nH]1 ZINC000748845457 652219948 /nfs/dbraw/zinc/21/99/48/652219948.db2.gz DMTKXXFUVTXCDU-ZDUSSCGKSA-N 0 1 394.806 2.425 20 0 GEADMN Cc1n[nH]c(SCC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1 ZINC000748845457 652219959 /nfs/dbraw/zinc/21/99/59/652219959.db2.gz DMTKXXFUVTXCDU-ZDUSSCGKSA-N 0 1 394.806 2.425 20 0 GEADMN COC(=O)CCS(=O)(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000577860758 652223404 /nfs/dbraw/zinc/22/34/04/652223404.db2.gz CXOBLDCLMSSRNI-UHFFFAOYSA-N 0 1 378.237 2.484 20 0 GEADMN CN(Cc1cnn(C)c1)C(=O)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000577889394 652227300 /nfs/dbraw/zinc/22/73/00/652227300.db2.gz 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Cc1ccc(-n2cnnc2SCC(=O)OCCc2cnn[nH]2)cc1Cl ZINC000750712097 652306716 /nfs/dbraw/zinc/30/67/16/652306716.db2.gz HESNDPKRSVPETE-UHFFFAOYSA-N 0 1 378.845 2.225 20 0 GEADMN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000578981431 652308770 /nfs/dbraw/zinc/30/87/70/652308770.db2.gz CTEWILLBGXCGPP-GXFFZTMASA-N 0 1 381.889 2.290 20 0 GEADMN COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC000750995044 652318618 /nfs/dbraw/zinc/31/86/18/652318618.db2.gz HKAAYCXAFCPJDQ-UHFFFAOYSA-N 0 1 389.905 2.064 20 0 GEADMN COc1nnc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000579145132 652320380 /nfs/dbraw/zinc/32/03/80/652320380.db2.gz PWTNHFLOOLVDQR-UHFFFAOYSA-N 0 1 381.889 2.986 20 0 GEADMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ncc(Br)cn2)cn1 ZINC000579154345 652320658 /nfs/dbraw/zinc/32/06/58/652320658.db2.gz KXADUVSTTNCCLD-VIFPVBQESA-N 0 1 390.245 2.337 20 0 GEADMN CNC(=O)[C@@H]1CCCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625160318 652327232 /nfs/dbraw/zinc/32/72/32/652327232.db2.gz 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CC(C)(CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(Cl)c(Cl)c1 ZINC000659696388 652363684 /nfs/dbraw/zinc/36/36/84/652363684.db2.gz NHCRCWACTFUNJT-ZIAGYGMSSA-N 0 1 390.286 2.285 20 0 GEADMN Cc1cc(C(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)ccc1Br ZINC000580162265 652368268 /nfs/dbraw/zinc/36/82/68/652368268.db2.gz GVKHYMDKVREIHU-HNNXBMFYSA-N 0 1 394.313 2.184 20 0 GEADMN CO[C@@H](CN(CCO)Cc1cc(Br)ccc1F)[C@H]1CCOC1 ZINC000659878402 652368814 /nfs/dbraw/zinc/36/88/14/652368814.db2.gz ZUDRPNUKJTUIFO-LRDDRELGSA-N 0 1 376.266 2.434 20 0 GEADMN Cc1c(Br)cccc1CN1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625809629 652372340 /nfs/dbraw/zinc/37/23/40/652372340.db2.gz NFGGOCWRBTXZTR-UHFFFAOYSA-N 0 1 378.274 2.285 20 0 GEADMN CC(C)O[C@@]1(CS(=O)(=O)N(CCN(C)C)Cc2ccsc2)CCOC1 ZINC000659976561 652375627 /nfs/dbraw/zinc/37/56/27/652375627.db2.gz CJENQIMZFOHTPL-KRWDZBQOSA-N 0 1 390.571 2.026 20 0 GEADMN NC(=O)[C@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(Br)c1 ZINC000625991571 652378501 /nfs/dbraw/zinc/37/85/01/652378501.db2.gz ZPIBKBXKEIFKAU-BMFZPTHFSA-N 0 1 392.253 2.196 20 0 GEADMN C[C@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)nc2)C[C@H](c2ccsc2)O1 ZINC000626097305 652382233 /nfs/dbraw/zinc/38/22/33/652382233.db2.gz PGGMZJIVBOJZDC-SMDDNHRTSA-N 0 1 381.479 2.117 20 0 GEADMN C[C@@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)nc2)C[C@@H](c2ccsc2)O1 ZINC000626097304 652382330 /nfs/dbraw/zinc/38/23/30/652382330.db2.gz PGGMZJIVBOJZDC-RISCZKNCSA-N 0 1 381.479 2.117 20 0 GEADMN CN(Cc1cnn(C)c1)C(=O)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100248 652382519 /nfs/dbraw/zinc/38/25/19/652382519.db2.gz IOKSZJFMRCFCGM-INIZCTEOSA-N 0 1 385.295 2.399 20 0 GEADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)C[C@@H]1CC1(C)C ZINC000660169173 652392333 /nfs/dbraw/zinc/39/23/33/652392333.db2.gz FSJXPEMPMWBYMY-LBPRGKRZSA-N 0 1 390.527 2.123 20 0 GEADMN CN1C[C@H](C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@@H](c2ccccc2)C1 ZINC000626626617 652398328 /nfs/dbraw/zinc/39/83/28/652398328.db2.gz UOSNYSSECZBYMC-CVEARBPZSA-N 0 1 378.519 2.113 20 0 GEADMN 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ZINC000738358424 599171718 /nfs/dbraw/zinc/17/17/18/599171718.db2.gz MCFWKIXVLDQNKC-UHFFFAOYSA-N 0 1 390.425 2.120 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(OCC(C)C)nc1 ZINC000737301978 599197192 /nfs/dbraw/zinc/19/71/92/599197192.db2.gz ZKSJSVBQJJGFKC-UHFFFAOYSA-N 0 1 388.453 2.406 20 0 GEADMN CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821181635 599204759 /nfs/dbraw/zinc/20/47/59/599204759.db2.gz NSNVYAQHLSCOFA-OAHLLOKOSA-N 0 1 397.483 2.363 20 0 GEADMN CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821181635 599204764 /nfs/dbraw/zinc/20/47/64/599204764.db2.gz NSNVYAQHLSCOFA-OAHLLOKOSA-N 0 1 397.483 2.363 20 0 GEADMN COc1cc(CN2CC[C@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737044690 599208692 /nfs/dbraw/zinc/20/86/92/599208692.db2.gz CMYYDZQCVZVWQL-KRWDZBQOSA-N 0 1 381.436 2.021 20 0 GEADMN O=C(CN(CCc1ccc(F)cc1)C1CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737865294 599217464 /nfs/dbraw/zinc/21/74/64/599217464.db2.gz PHJGVBURRGQTHI-UHFFFAOYSA-N 0 1 394.454 2.329 20 0 GEADMN COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H]([NH+]2CCC(C(=O)[O-])CC2)C1=O ZINC000739858844 596926538 /nfs/dbraw/zinc/92/65/38/596926538.db2.gz BHXGCCWJDNGCIX-CQSZACIVSA-N 0 1 380.828 2.086 20 0 GEADMN Cc1[nH+]ccn1-c1ncccc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000740238020 596966148 /nfs/dbraw/zinc/96/61/48/596966148.db2.gz BAEPRPUQXAQVJM-QGZVFWFLSA-N 0 1 390.403 2.234 20 0 GEADMN COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000676232436 597078143 /nfs/dbraw/zinc/07/81/43/597078143.db2.gz BUTVBMGVSOUXKL-LSDHHAIUSA-N 0 1 378.469 2.376 20 0 GEADMN CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2F)CC1 ZINC000533188199 597098861 /nfs/dbraw/zinc/09/88/61/597098861.db2.gz BKEGGECSXRZBRE-HNNXBMFYSA-N 0 1 377.460 2.295 20 0 GEADMN C[C@@H](NC(=O)C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000820115072 597707136 /nfs/dbraw/zinc/70/71/36/597707136.db2.gz SWTMMSWCFPEDNT-GDBMZVCRSA-N 0 1 387.480 2.021 20 0 GEADMN C[C@@H](NC(=O)C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000820115076 597707258 /nfs/dbraw/zinc/70/72/58/597707258.db2.gz SWTMMSWCFPEDNT-ZBFHGGJFSA-N 0 1 387.480 2.021 20 0 GEADMN O=C([O-])CCCC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000181539524 597766343 /nfs/dbraw/zinc/76/63/43/597766343.db2.gz HFVAMYJUYOQHRZ-UHFFFAOYSA-N 0 1 390.871 2.263 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000821531030 598065820 /nfs/dbraw/zinc/06/58/20/598065820.db2.gz JHZBATROWBVWLI-INIZCTEOSA-N 0 1 381.856 2.480 20 0 GEADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000666566359 598190943 /nfs/dbraw/zinc/19/09/43/598190943.db2.gz MIPHZNRMIHEMIT-RKVPGOIHSA-N 0 1 375.469 2.168 20 0 GEADMN Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000820991393 598191615 /nfs/dbraw/zinc/19/16/15/598191615.db2.gz FTYCGMCDGZUZFI-HNNXBMFYSA-N 0 1 383.448 2.268 20 0 GEADMN CN(CC1CCCCC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736793895 598233682 /nfs/dbraw/zinc/23/36/82/598233682.db2.gz NXNJHBBVAYEGBG-HXUWFJFHSA-N 0 1 397.483 2.103 20 0 GEADMN O=S(=O)(c1ccccc1)c1ccc(Oc2nccnc2-c2nn[nH]n2)cc1 ZINC000738356750 598346394 /nfs/dbraw/zinc/34/63/94/598346394.db2.gz JFRSCRWWBMNNAO-UHFFFAOYSA-N 0 1 380.389 2.282 20 0 GEADMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735482240 598360069 /nfs/dbraw/zinc/36/00/69/598360069.db2.gz OYBOWKATGRMFJL-UHFFFAOYSA-N 0 1 392.828 2.279 20 0 GEADMN CC(C)c1nc2c(n1C)CCN(CCC(=O)Nc1cccc(-c3nn[nH]n3)c1)C2 ZINC000735940647 598374534 /nfs/dbraw/zinc/37/45/34/598374534.db2.gz SXVDDUWCKRNLNL-UHFFFAOYSA-N 0 1 394.483 2.111 20 0 GEADMN O=C(CC1=CCCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737808685 598400682 /nfs/dbraw/zinc/40/06/82/598400682.db2.gz QLMRQTXGBUDZEI-UHFFFAOYSA-N 0 1 383.456 2.271 20 0 GEADMN CCN(Cc1ccccc1)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736559484 598502182 /nfs/dbraw/zinc/50/21/82/598502182.db2.gz YBNAGZPIBLYHPK-UHFFFAOYSA-N 0 1 388.431 2.230 20 0 GEADMN CCN(C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)C1CCCCC1 ZINC000736506052 598502377 /nfs/dbraw/zinc/50/23/77/598502377.db2.gz PITYKGWQHXSXMP-UHFFFAOYSA-N 0 1 380.452 2.363 20 0 GEADMN CCN1CCC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736573250 598556101 /nfs/dbraw/zinc/55/61/01/598556101.db2.gz YOEAHLNRNHBCDC-HNNXBMFYSA-N 0 1 396.451 2.253 20 0 GEADMN COCc1noc(C2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n1 ZINC000737022647 598610817 /nfs/dbraw/zinc/61/08/17/598610817.db2.gz YVJNVJOORKJDOD-UHFFFAOYSA-N 0 1 398.383 2.028 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCCCc2cccc(F)c2)cc1-c1nn[nH]n1 ZINC000737187345 598614235 /nfs/dbraw/zinc/61/42/35/598614235.db2.gz QTEWNPZTHULUBX-UHFFFAOYSA-N 0 1 388.428 2.191 20 0 GEADMN CN1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)c(Cl)c3)cn2)CC1 ZINC000736868582 598637264 /nfs/dbraw/zinc/63/72/64/598637264.db2.gz ULFJFIJTRSXTBS-UHFFFAOYSA-N 0 1 384.875 2.279 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N(C)CC[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000737188621 598670179 /nfs/dbraw/zinc/67/01/79/598670179.db2.gz CSTZVDHQHBSSAA-UHFFFAOYSA-N 0 1 387.513 2.029 20 0 GEADMN O=C(CC[C@H]1CCCCO1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737824314 598681693 /nfs/dbraw/zinc/68/16/93/598681693.db2.gz PLUBRVBAXPGZBU-LJQANCHMSA-N 0 1 398.511 2.250 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCc3ccccc32)cc1-c1nn[nH]n1 ZINC000737187080 598722372 /nfs/dbraw/zinc/72/23/72/598722372.db2.gz OPZYFPIKAVXQGL-LLVKDONJSA-N 0 1 382.449 2.149 20 0 GEADMN CC1(C)C[C@@H]1CNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736212387 598779215 /nfs/dbraw/zinc/77/92/15/598779215.db2.gz XFJHUAISPONRHH-QGZVFWFLSA-N 0 1 383.500 2.130 20 0 GEADMN CC[N@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C1CC1 ZINC000736537104 598821253 /nfs/dbraw/zinc/82/12/53/598821253.db2.gz QTAIJXVMVKSNFK-UHFFFAOYSA-N 0 1 387.513 2.075 20 0 GEADMN CC[N@@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C1CC1 ZINC000736537104 598821254 /nfs/dbraw/zinc/82/12/54/598821254.db2.gz QTAIJXVMVKSNFK-UHFFFAOYSA-N 0 1 387.513 2.075 20 0 GEADMN O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823557778 599307512 /nfs/dbraw/zinc/30/75/12/599307512.db2.gz QDSBXVDCJRHLNA-JTQLQIEISA-N 0 1 391.375 2.196 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3ccn(C)c3c2)cc1-c1nn[nH]n1 ZINC000821978286 599316501 /nfs/dbraw/zinc/31/65/01/599316501.db2.gz LGOSUGKVBIDBAS-UHFFFAOYSA-N 0 1 381.421 2.433 20 0 GEADMN COC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C(C)C ZINC000821683877 599381312 /nfs/dbraw/zinc/38/13/12/599381312.db2.gz MKTAEBYYZFDHSW-ZYHUDNBSSA-N 0 1 378.502 2.005 20 0 GEADMN COCc1nc(CNCCSCc2ccccc2-c2nn[nH]n2)cs1 ZINC000821696009 599396080 /nfs/dbraw/zinc/39/60/80/599396080.db2.gz RIXXKGVTQOIRMQ-UHFFFAOYSA-N 0 1 376.511 2.493 20 0 GEADMN Clc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)N2CCOCC2)cc1 ZINC000822573994 599421446 /nfs/dbraw/zinc/42/14/46/599421446.db2.gz MTYCLPFFCALSNM-INIZCTEOSA-N 0 1 388.859 2.276 20 0 GEADMN COc1ccc(CN[C@@H](c2nnc3ccccn32)C(C)C)cc1-c1nn[nH]n1 ZINC000821803641 599422444 /nfs/dbraw/zinc/42/24/44/599422444.db2.gz GOLCJULJAVVQGH-QGZVFWFLSA-N 0 1 378.440 2.405 20 0 GEADMN Cc1cc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)c2ccccc2n1 ZINC000737261240 599445756 /nfs/dbraw/zinc/44/57/56/599445756.db2.gz DDRIIKCUIBRAHE-UHFFFAOYSA-N 0 1 386.463 2.441 20 0 GEADMN CCN(CC)c1ccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000736532996 599486708 /nfs/dbraw/zinc/48/67/08/599486708.db2.gz XGLYRLUDNWTRKM-UHFFFAOYSA-N 0 1 377.456 2.045 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1-c1nn[nH]n1 ZINC000737188130 599495301 /nfs/dbraw/zinc/49/53/01/599495301.db2.gz ZUDIBCDSENDHFN-OAHLLOKOSA-N 0 1 396.476 2.440 20 0 GEADMN C[C@@H](Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)[C@H](C)N1CCOCC1 ZINC000820452138 599528020 /nfs/dbraw/zinc/52/80/20/599528020.db2.gz ZZSZAVUNPOLYDH-NEPJUHHUSA-N 0 1 387.875 2.011 20 0 GEADMN Cc1ccc(C[C@@H](C)N(C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335179 599590263 /nfs/dbraw/zinc/59/02/63/599590263.db2.gz QTLFTTPWCPUEHF-MRXNPFEDSA-N 0 1 378.480 2.354 20 0 GEADMN CC[C@H](C)OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1 ZINC000736323003 599603763 /nfs/dbraw/zinc/60/37/63/599603763.db2.gz ACKPWYHSOVNZRG-LURJTMIESA-N 0 1 377.348 2.420 20 0 GEADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC2(C1)CCOCC2 ZINC000819867977 599644719 /nfs/dbraw/zinc/64/47/19/599644719.db2.gz WHNFBYHVRNWKQF-LBPRGKRZSA-N 0 1 390.875 2.350 20 0 GEADMN CC[C@@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)N(CC)CC ZINC000820847385 599663159 /nfs/dbraw/zinc/66/31/59/599663159.db2.gz CSABARNFUMMDTD-AWEZNQCLSA-N 0 1 385.428 2.080 20 0 GEADMN CC(C)CO[C@@H](C)c1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)n1 ZINC000820097160 599689478 /nfs/dbraw/zinc/68/94/78/599689478.db2.gz KNZVRLUICNTVHY-LBPRGKRZSA-N 0 1 395.423 2.347 20 0 GEADMN C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)c1nnc[nH]1 ZINC000820396923 599692205 /nfs/dbraw/zinc/69/22/05/599692205.db2.gz JQVDZRVMCLPNOJ-NSHDSACASA-N 0 1 376.380 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C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830940809 600892094 /nfs/dbraw/zinc/89/20/94/600892094.db2.gz KESZFFDTDVFOOS-IAGOWNOFSA-N 0 1 387.480 2.073 20 0 GEADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000828258364 600892942 /nfs/dbraw/zinc/89/29/42/600892942.db2.gz QUCDJTIPABGWRW-UONOGXRCSA-N 0 1 393.509 2.498 20 0 GEADMN O=C([O-])C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000739653755 600963276 /nfs/dbraw/zinc/96/32/76/600963276.db2.gz NXSDIKWRZCHKNH-IBGZPJMESA-N 0 1 393.487 2.409 20 0 GEADMN CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000832694169 600987485 /nfs/dbraw/zinc/98/74/85/600987485.db2.gz AQLKWGGPLPZRRS-IINYFYTJSA-N 0 1 395.308 2.380 20 0 GEADMN CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000832694169 600987489 /nfs/dbraw/zinc/98/74/89/600987489.db2.gz AQLKWGGPLPZRRS-IINYFYTJSA-N 0 1 395.308 2.380 20 0 GEADMN C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830596141 600994183 /nfs/dbraw/zinc/99/41/83/600994183.db2.gz FVLWVJUALLYKKM-GFCCVEGCSA-N 0 1 396.415 2.345 20 0 GEADMN CCOC[C@@H](O)C[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000829984581 601001708 /nfs/dbraw/zinc/00/17/08/601001708.db2.gz OFLWTOFUQAIATI-BBRMVZONSA-N 0 1 391.295 2.134 20 0 GEADMN COc1ccccc1C[C@H](C)[N@@H+](C)CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000832607572 601025991 /nfs/dbraw/zinc/02/59/91/601025991.db2.gz IZBGDKNRNUJPRC-HIXWQLQUSA-N 0 1 378.494 2.450 20 0 GEADMN CC(C)C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000424479991 601027460 /nfs/dbraw/zinc/02/74/60/601027460.db2.gz YBJSMHUHVVPSCN-QGZVFWFLSA-N 0 1 377.485 2.430 20 0 GEADMN CC[N@H+]1CC[C@H](N(C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)[C@@H](C)C1 ZINC000829758893 601029681 /nfs/dbraw/zinc/02/96/81/601029681.db2.gz DQVTYGOWWMPGFI-JQWIXIFHSA-N 0 1 378.498 2.153 20 0 GEADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000035297173 601032361 /nfs/dbraw/zinc/03/23/61/601032361.db2.gz SSIJTJCIUNOTHG-JTQLQIEISA-N 0 1 388.205 2.026 20 0 GEADMN CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830923796 601037661 /nfs/dbraw/zinc/03/76/61/601037661.db2.gz RUIOMTWFWKCWFV-UHFFFAOYSA-N 0 1 381.452 2.405 20 0 GEADMN CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)CCS1 ZINC000829143071 601042641 /nfs/dbraw/zinc/04/26/41/601042641.db2.gz XGJZBVIPDINXLI-DGCLKSJQSA-N 0 1 380.466 2.326 20 0 GEADMN CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)CCS1 ZINC000829143071 601042644 /nfs/dbraw/zinc/04/26/44/601042644.db2.gz XGJZBVIPDINXLI-DGCLKSJQSA-N 0 1 380.466 2.326 20 0 GEADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000829160749 601045152 /nfs/dbraw/zinc/04/51/52/601045152.db2.gz KBNQOCYSKLBVAS-OLZOCXBDSA-N 0 1 377.510 2.432 20 0 GEADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)cc1 ZINC000568399257 601046403 /nfs/dbraw/zinc/04/64/03/601046403.db2.gz GWMIFLPCVCOEDY-LJQANCHMSA-N 0 1 390.480 2.314 20 0 GEADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)cc1 ZINC000568399257 601046407 /nfs/dbraw/zinc/04/64/07/601046407.db2.gz GWMIFLPCVCOEDY-LJQANCHMSA-N 0 1 390.480 2.314 20 0 GEADMN Cc1c(C(=O)[O-])sc2[nH]c(CN3CC[N@H+](C)CC34CCCCC4)nc(=O)c12 ZINC000832853283 601047513 /nfs/dbraw/zinc/04/75/13/601047513.db2.gz TWWZDIBCDAJXSC-UHFFFAOYSA-N 0 1 390.509 2.442 20 0 GEADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000832889859 601049662 /nfs/dbraw/zinc/04/96/62/601049662.db2.gz ARIJFSQMIRXKDP-UHFFFAOYSA-N 0 1 389.496 2.489 20 0 GEADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)CC1 ZINC000827379942 601092137 /nfs/dbraw/zinc/09/21/37/601092137.db2.gz MSYYNJOECNOUSL-LBPRGKRZSA-N 0 1 391.449 2.214 20 0 GEADMN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000630221750 601092274 /nfs/dbraw/zinc/09/22/74/601092274.db2.gz BTUICEDUXGYCCN-ZIAGYGMSSA-N 0 1 393.509 2.133 20 0 GEADMN CCc1[nH]c(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)c(C)c1C(=O)[O-] ZINC000737240822 601095564 /nfs/dbraw/zinc/09/55/64/601095564.db2.gz KTQYPXIDUAYQFZ-AWEZNQCLSA-N 0 1 377.485 2.347 20 0 GEADMN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000833011010 601100049 /nfs/dbraw/zinc/10/00/49/601100049.db2.gz AOWXFBFLAWETNW-CYBMUJFWSA-N 0 1 390.871 2.455 20 0 GEADMN CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](CCOc3cccc(C(=O)[O-])c3)C2)no1 ZINC000736526320 601113338 /nfs/dbraw/zinc/11/33/38/601113338.db2.gz UYXLPRVFLYNTDR-MRXNPFEDSA-N 0 1 388.468 2.476 20 0 GEADMN NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000822864644 607489611 /nfs/dbraw/zinc/48/96/11/607489611.db2.gz HIBNYYPKQKXVPN-GOSISDBHSA-N 0 1 395.442 2.068 20 0 GEADMN COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000831128272 601131752 /nfs/dbraw/zinc/13/17/52/601131752.db2.gz FWKGFQAWLKBKOI-LLVKDONJSA-N 0 1 382.392 2.017 20 0 GEADMN COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000831129019 601135181 /nfs/dbraw/zinc/13/51/81/601135181.db2.gz QCIYQADGXFOODC-AWEZNQCLSA-N 0 1 391.468 2.150 20 0 GEADMN O=C([O-])c1ccc(C(=O)OCCN2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000833311831 601143180 /nfs/dbraw/zinc/14/31/80/601143180.db2.gz DMKPMYVIAORWGB-UHFFFAOYSA-N 0 1 380.491 2.482 20 0 GEADMN O=C([O-])[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000164496720 601152585 /nfs/dbraw/zinc/15/25/85/601152585.db2.gz NCVOBTNITDYVCT-NSHDSACASA-N 0 1 376.272 2.019 20 0 GEADMN O=C([O-])[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000164496720 601152586 /nfs/dbraw/zinc/15/25/86/601152586.db2.gz NCVOBTNITDYVCT-NSHDSACASA-N 0 1 376.272 2.019 20 0 GEADMN CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000829613775 601166967 /nfs/dbraw/zinc/16/69/67/601166967.db2.gz RCWAXPMBCNKLJO-UHFFFAOYSA-N 0 1 383.448 2.400 20 0 GEADMN O=C([O-])c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000833154835 601192157 /nfs/dbraw/zinc/19/21/57/601192157.db2.gz SPNGNAGSYPGCRX-IEBWSBKVSA-N 0 1 383.448 2.389 20 0 GEADMN CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000563130884 601194757 /nfs/dbraw/zinc/19/47/57/601194757.db2.gz OKFKDKIQLDNTAP-UHFFFAOYSA-N 0 1 395.459 2.344 20 0 GEADMN COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000831934692 601211505 /nfs/dbraw/zinc/21/15/05/601211505.db2.gz TZYHYXYIKCDPLV-ZDUSSCGKSA-N 0 1 396.490 2.008 20 0 GEADMN COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000831934692 601211506 /nfs/dbraw/zinc/21/15/06/601211506.db2.gz TZYHYXYIKCDPLV-ZDUSSCGKSA-N 0 1 396.490 2.008 20 0 GEADMN Cc1cc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000832903358 601218797 /nfs/dbraw/zinc/21/87/97/601218797.db2.gz FBQNSCIHUQYUMR-UHFFFAOYSA-N 0 1 380.441 2.243 20 0 GEADMN Cc1cc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000832903358 601218798 /nfs/dbraw/zinc/21/87/98/601218798.db2.gz FBQNSCIHUQYUMR-UHFFFAOYSA-N 0 1 380.441 2.243 20 0 GEADMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)[NH+](C)C)cc1 ZINC000184944162 601228142 /nfs/dbraw/zinc/22/81/42/601228142.db2.gz NQGSAXISGNDVLS-KRWDZBQOSA-N 0 1 380.441 2.414 20 0 GEADMN CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829118888 601236006 /nfs/dbraw/zinc/23/60/06/601236006.db2.gz LAXJOQKBXHINKO-LLVKDONJSA-N 0 1 376.425 2.206 20 0 GEADMN C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000830596613 601241056 /nfs/dbraw/zinc/24/10/56/601241056.db2.gz VZWONLHKFIHBIQ-KQPPXVQYSA-N 0 1 386.473 2.466 20 0 GEADMN O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000390558543 601244834 /nfs/dbraw/zinc/24/48/34/601244834.db2.gz RHGGTZQGBHLVHP-OAHLLOKOSA-N 0 1 392.452 2.467 20 0 GEADMN CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000318624564 601262307 /nfs/dbraw/zinc/26/23/07/601262307.db2.gz LRKBTVSTDQGUQD-UHFFFAOYSA-N 0 1 393.303 2.158 20 0 GEADMN C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000824507903 607498951 /nfs/dbraw/zinc/49/89/51/607498951.db2.gz ZUSLOSYBTVRYRI-ZDUSSCGKSA-N 0 1 387.488 2.387 20 0 GEADMN C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000824507903 607498953 /nfs/dbraw/zinc/49/89/53/607498953.db2.gz ZUSLOSYBTVRYRI-ZDUSSCGKSA-N 0 1 387.488 2.387 20 0 GEADMN CSc1nc(C(C)C)nc(C)c1C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000832793738 601291853 /nfs/dbraw/zinc/29/18/53/601291853.db2.gz AIWOBQZQRFMLPZ-LBPRGKRZSA-N 0 1 380.514 2.251 20 0 GEADMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829160239 601323298 /nfs/dbraw/zinc/32/32/98/601323298.db2.gz GFMZONMKPFHLKZ-QWHCGFSZSA-N 0 1 390.509 2.440 20 0 GEADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000827042231 601335212 /nfs/dbraw/zinc/33/52/12/601335212.db2.gz NMOVYDZMNNGJAR-WMLDXEAASA-N 0 1 391.468 2.356 20 0 GEADMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000829765573 601342222 /nfs/dbraw/zinc/34/22/22/601342222.db2.gz ZTYJYHLPIIFHGD-GFCCVEGCSA-N 0 1 393.509 2.206 20 0 GEADMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829764942 601342264 /nfs/dbraw/zinc/34/22/64/601342264.db2.gz CFBJDBUVZTYNNB-OAHLLOKOSA-N 0 1 391.468 2.053 20 0 GEADMN CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H](C(=O)[O-])C3)c2C1 ZINC000632984750 601342392 /nfs/dbraw/zinc/34/23/92/601342392.db2.gz IVSPGLYAOCGVQO-HOCLYGCPSA-N 0 1 387.480 2.308 20 0 GEADMN Cc1[nH+]ccn1C[C@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000832852974 601384351 /nfs/dbraw/zinc/38/43/51/601384351.db2.gz OPJOLCOATIONDU-GFCCVEGCSA-N 0 1 387.465 2.161 20 0 GEADMN Cc1[nH+]ccn1C[C@@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000832852975 601384454 /nfs/dbraw/zinc/38/44/54/601384454.db2.gz OPJOLCOATIONDU-LBPRGKRZSA-N 0 1 387.465 2.161 20 0 GEADMN CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000831025625 601386987 /nfs/dbraw/zinc/38/69/87/601386987.db2.gz VEEXCGASTJEEJL-JTQLQIEISA-N 0 1 386.470 2.252 20 0 GEADMN CO[C@H](C)c1noc(CN2CCC[N@@H+]([C@H](C)c3ccc(C(=O)[O-])o3)CC2)n1 ZINC000831505038 601425237 /nfs/dbraw/zinc/42/52/37/601425237.db2.gz BQUFPOMFYBJEDR-CHWSQXEVSA-N 0 1 378.429 2.337 20 0 GEADMN CO[C@H](C)c1noc(CN2CCC[N@H+]([C@H](C)c3ccc(C(=O)[O-])o3)CC2)n1 ZINC000831505038 601425239 /nfs/dbraw/zinc/42/52/39/601425239.db2.gz BQUFPOMFYBJEDR-CHWSQXEVSA-N 0 1 378.429 2.337 20 0 GEADMN CCOC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])CC1 ZINC000829837791 601434705 /nfs/dbraw/zinc/43/47/05/601434705.db2.gz MUPYGCLDYQMOKO-ZWKOTPCHSA-N 0 1 394.512 2.144 20 0 GEADMN O=C([O-])C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000652479739 601455454 /nfs/dbraw/zinc/45/54/54/601455454.db2.gz DOELLQNDSBYSEL-OXQOHEQNSA-N 0 1 387.432 2.394 20 0 GEADMN O=C([O-])C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000652479739 601455455 /nfs/dbraw/zinc/45/54/55/601455455.db2.gz DOELLQNDSBYSEL-OXQOHEQNSA-N 0 1 387.432 2.394 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ZPTFGULICQIGRS-ZDUSSCGKSA-N 0 1 378.454 2.461 20 0 GEADMN C[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)[N@@H+]1CCc2sccc2C1 ZINC000738938364 602697907 /nfs/dbraw/zinc/69/79/07/602697907.db2.gz DKTPTPDYIIGQRV-JTQLQIEISA-N 0 1 380.495 2.149 20 0 GEADMN C[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)[N@H+]1CCc2sccc2C1 ZINC000738938364 602697911 /nfs/dbraw/zinc/69/79/11/602697911.db2.gz DKTPTPDYIIGQRV-JTQLQIEISA-N 0 1 380.495 2.149 20 0 GEADMN C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739627485 602705497 /nfs/dbraw/zinc/70/54/97/602705497.db2.gz PEFIMGAHNBLVRZ-LLVKDONJSA-N 0 1 385.262 2.104 20 0 GEADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000739007626 602705637 /nfs/dbraw/zinc/70/56/37/602705637.db2.gz DWDNBWZZEITNAV-CYBMUJFWSA-N 0 1 380.514 2.184 20 0 GEADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000739007626 602705639 /nfs/dbraw/zinc/70/56/39/602705639.db2.gz DWDNBWZZEITNAV-CYBMUJFWSA-N 0 1 380.514 2.184 20 0 GEADMN 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DQVFCWGRUWORJM-UHFFFAOYSA-N 0 1 399.886 2.484 20 0 GEADMN OC1CC[NH+](Cc2ccccc2CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000823705063 606471259 /nfs/dbraw/zinc/47/12/59/606471259.db2.gz DQVFCWGRUWORJM-UHFFFAOYSA-N 0 1 399.886 2.484 20 0 GEADMN CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C1 ZINC000821697760 606518398 /nfs/dbraw/zinc/51/83/98/606518398.db2.gz PYZVBCCEHMKDEV-VXGBXAGGSA-N 0 1 390.513 2.102 20 0 GEADMN CO[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C1 ZINC000821697760 606518399 /nfs/dbraw/zinc/51/83/99/606518399.db2.gz PYZVBCCEHMKDEV-VXGBXAGGSA-N 0 1 390.513 2.102 20 0 GEADMN O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175440 606551524 /nfs/dbraw/zinc/55/15/24/606551524.db2.gz IPFGMGMFYXMVMQ-HNNXBMFYSA-N 0 1 382.493 2.223 20 0 GEADMN O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175440 606551525 /nfs/dbraw/zinc/55/15/25/606551525.db2.gz IPFGMGMFYXMVMQ-HNNXBMFYSA-N 0 1 382.493 2.223 20 0 GEADMN O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175440 606551526 /nfs/dbraw/zinc/55/15/26/606551526.db2.gz IPFGMGMFYXMVMQ-HNNXBMFYSA-N 0 1 382.493 2.223 20 0 GEADMN O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175440 606551527 /nfs/dbraw/zinc/55/15/27/606551527.db2.gz IPFGMGMFYXMVMQ-HNNXBMFYSA-N 0 1 382.493 2.223 20 0 GEADMN COC1CC[NH+](C2(CNC(=O)c3ccc(-c4nnn[n-]4)s3)CCCC2)CC1 ZINC000821679849 606555648 /nfs/dbraw/zinc/55/56/48/606555648.db2.gz OODROYGAFNUMHL-UHFFFAOYSA-N 0 1 390.513 2.082 20 0 GEADMN COC1CC[NH+](C2(CNC(=O)c3ccc(-c4nn[n-]n4)s3)CCCC2)CC1 ZINC000821679849 606555649 /nfs/dbraw/zinc/55/56/49/606555649.db2.gz OODROYGAFNUMHL-UHFFFAOYSA-N 0 1 390.513 2.082 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000822534881 606586428 /nfs/dbraw/zinc/58/64/28/606586428.db2.gz AVPQKSKDPYRVCV-ZIAGYGMSSA-N 0 1 383.456 2.161 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000822534881 606586430 /nfs/dbraw/zinc/58/64/30/606586430.db2.gz AVPQKSKDPYRVCV-ZIAGYGMSSA-N 0 1 383.456 2.161 20 0 GEADMN CC(C)C1CCC(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000820037255 606605679 /nfs/dbraw/zinc/60/56/79/606605679.db2.gz AJBHTPBXKHCVRR-UHFFFAOYSA-N 0 1 383.500 2.234 20 0 GEADMN Cc1ncccc1NS(=O)(=O)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000822477087 606637063 /nfs/dbraw/zinc/63/70/63/606637063.db2.gz FYBHXNHZLUCTIT-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN CC(=O)c1ccnc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000819844747 606644705 /nfs/dbraw/zinc/64/47/05/606644705.db2.gz MAKAXESAXDCRKH-UHFFFAOYSA-N 0 1 377.452 2.177 20 0 GEADMN C[C@@]1(c2ccccc2)CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820636061 606717726 /nfs/dbraw/zinc/71/77/26/606717726.db2.gz PLBQNSNTXHPHOZ-OAQYLSRUSA-N 0 1 376.464 2.147 20 0 GEADMN Cc1cc(F)ccc1S(=O)(=O)Nc1cc(N(C)C)ccc1-c1nn[nH]n1 ZINC000822205914 606751192 /nfs/dbraw/zinc/75/11/92/606751192.db2.gz NETIGIJGMXCIGP-UHFFFAOYSA-N 0 1 376.417 2.181 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/nfs/dbraw/zinc/83/21/85/606832185.db2.gz WZWDOKZHMUGPFW-UHFFFAOYSA-N 0 1 392.439 2.368 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(CCN(C)C)C1CCCCC1 ZINC000822222408 606845814 /nfs/dbraw/zinc/84/58/14/606845814.db2.gz GAIGNIHBQQMWKI-UHFFFAOYSA-N 0 1 392.529 2.060 20 0 GEADMN O=C(CC1CCCC1)N1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822940806 606861457 /nfs/dbraw/zinc/86/14/57/606861457.db2.gz FIMANBHQLDGENV-LJQANCHMSA-N 0 1 398.511 2.015 20 0 GEADMN CCc1ccc(N2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821486373 606861642 /nfs/dbraw/zinc/86/16/42/606861642.db2.gz DRLFWCADKKQZCE-FQEVSTJZSA-N 0 1 378.480 2.285 20 0 GEADMN C[C@H](Cc1cccs1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820300557 606886362 /nfs/dbraw/zinc/88/63/62/606886362.db2.gz QPDIBPKHRLEQCM-MRVPVSSYSA-N 0 1 385.421 2.116 20 0 GEADMN O=S(=O)(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572779 606895237 /nfs/dbraw/zinc/89/52/37/606895237.db2.gz MCXSWSHJQWPWSG-HOSYDEDBSA-N 0 1 383.424 2.392 20 0 GEADMN CCc1nnc(N2CCN(Cc3cccc(C)c3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527473 606917318 /nfs/dbraw/zinc/91/73/18/606917318.db2.gz FUKLEMXAWGYPCY-UHFFFAOYSA-N 0 1 392.511 2.412 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCc2nc(C(C)C)cs2)cc1-c1nn[nH]n1 ZINC000821976738 606967985 /nfs/dbraw/zinc/96/79/85/606967985.db2.gz CXPBVDJDBVSGIB-UHFFFAOYSA-N 0 1 391.482 2.199 20 0 GEADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000823061051 606970701 /nfs/dbraw/zinc/97/07/01/606970701.db2.gz TZGDBXUSDCPQEQ-UHFFFAOYSA-N 0 1 383.359 2.481 20 0 GEADMN O[C@]12CCCC[C@@H]1CN(Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000823697146 607003117 /nfs/dbraw/zinc/00/31/17/607003117.db2.gz JTRYAGDVMIYUCB-XLIONFOSSA-N 0 1 379.468 2.315 20 0 GEADMN Clc1cccc(N2CCN(CC[NH2+]Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000822586373 607008699 /nfs/dbraw/zinc/00/86/99/607008699.db2.gz WKYIQWLPRMUDOS-UHFFFAOYSA-N 0 1 387.875 2.025 20 0 GEADMN CC(=O)c1cccc(C(=O)N(CCN(C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000819834213 607010082 /nfs/dbraw/zinc/01/00/82/607010082.db2.gz OJBWCEWMQVRDEY-UHFFFAOYSA-N 0 1 392.463 2.273 20 0 GEADMN O=C(CCN1CC(c2nc3ccccc3[nH]2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822963938 607103834 /nfs/dbraw/zinc/10/38/34/607103834.db2.gz BDUCQELELFTTJY-UHFFFAOYSA-N 0 1 394.464 2.233 20 0 GEADMN COc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c2cccnc12 ZINC000821838031 607122358 /nfs/dbraw/zinc/12/23/58/607122358.db2.gz JORLEKGYYGBCJF-UHFFFAOYSA-N 0 1 382.405 2.224 20 0 GEADMN O=c1c(-c2nn[nH]n2)cccn1Cc1cc(Br)cc2cccnc21 ZINC000823657604 607124941 /nfs/dbraw/zinc/12/49/41/607124941.db2.gz SJAKZBDDPQARSL-UHFFFAOYSA-N 0 1 383.209 2.387 20 0 GEADMN CCC1(CC)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C[C@H]1OC ZINC000820957023 607159804 /nfs/dbraw/zinc/15/98/04/607159804.db2.gz MKBXERLVXPXOCJ-VXGBXAGGSA-N 0 1 392.485 2.013 20 0 GEADMN O=C(CCn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1cc(F)cc(F)c1 ZINC000822986682 607166756 /nfs/dbraw/zinc/16/67/56/607166756.db2.gz KKWWSASDMXMUEK-UHFFFAOYSA-N 0 1 396.357 2.489 20 0 GEADMN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820556970 607220022 /nfs/dbraw/zinc/22/00/22/607220022.db2.gz WWBQZOOXWVYKOR-AWEZNQCLSA-N 0 1 388.435 2.345 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2cscn2)c2ccc(Br)cc12 ZINC000823657421 607237770 /nfs/dbraw/zinc/23/77/70/607237770.db2.gz ONNNJCHMOADPCN-UHFFFAOYSA-N 0 1 389.238 2.449 20 0 GEADMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCC2 ZINC000825582104 607924502 /nfs/dbraw/zinc/92/45/02/607924502.db2.gz HZWKBYBHKNNJDW-HZPDHXFCSA-N 0 1 385.468 2.433 20 0 GEADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCC2 ZINC000825582104 607924503 /nfs/dbraw/zinc/92/45/03/607924503.db2.gz HZWKBYBHKNNJDW-HZPDHXFCSA-N 0 1 385.468 2.433 20 0 GEADMN O=C(Nc1nnc(SCc2ccc(-c3nn[nH]n3)cc2)s1)c1cnco1 ZINC000826460466 607978092 /nfs/dbraw/zinc/97/80/92/607978092.db2.gz DROQVHFGDXYDBF-UHFFFAOYSA-N 0 1 386.422 2.251 20 0 GEADMN CC(=O)c1ccc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000824025261 607988397 /nfs/dbraw/zinc/98/83/97/607988397.db2.gz ZDEKCHGVZODDFJ-UHFFFAOYSA-N 0 1 377.452 2.177 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC[C@@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826077518 608019587 /nfs/dbraw/zinc/01/95/87/608019587.db2.gz KTVGTOMLHPQNEE-CYBMUJFWSA-N 0 1 382.472 2.264 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC[C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826077518 608019588 /nfs/dbraw/zinc/01/95/88/608019588.db2.gz KTVGTOMLHPQNEE-CYBMUJFWSA-N 0 1 382.472 2.264 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826077579 608021201 /nfs/dbraw/zinc/02/12/01/608021201.db2.gz NCSVQKNZGCCLSG-HZSPNIEDSA-N 0 1 386.504 2.287 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826077579 608021202 /nfs/dbraw/zinc/02/12/02/608021202.db2.gz NCSVQKNZGCCLSG-HZSPNIEDSA-N 0 1 386.504 2.287 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)ccc3o2)c1-c1nnn[n-]1 ZINC000826077723 608022025 /nfs/dbraw/zinc/02/20/25/608022025.db2.gz RWWZOLAQCQRNQC-UHFFFAOYSA-N 0 1 380.412 2.049 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)ccc3o2)c1-c1nn[n-]n1 ZINC000826077723 608022026 /nfs/dbraw/zinc/02/20/26/608022026.db2.gz RWWZOLAQCQRNQC-UHFFFAOYSA-N 0 1 380.412 2.049 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(CC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826082856 608022181 /nfs/dbraw/zinc/02/21/81/608022181.db2.gz BXZWFARVCXRFNU-UHFFFAOYSA-N 0 1 382.472 2.193 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(CC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826082856 608022182 /nfs/dbraw/zinc/02/21/82/608022182.db2.gz BXZWFARVCXRFNU-UHFFFAOYSA-N 0 1 382.472 2.193 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1csc(Br)c1 ZINC000825934721 608034811 /nfs/dbraw/zinc/03/48/11/608034811.db2.gz QTQZIZDJKXJYOH-UHFFFAOYSA-N 0 1 397.306 2.061 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1csc(Br)c1 ZINC000825934721 608034809 /nfs/dbraw/zinc/03/48/09/608034809.db2.gz QTQZIZDJKXJYOH-UHFFFAOYSA-N 0 1 397.306 2.061 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1csc(Br)c1 ZINC000825934721 608034810 /nfs/dbraw/zinc/03/48/10/608034810.db2.gz QTQZIZDJKXJYOH-UHFFFAOYSA-N 0 1 397.306 2.061 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1csc(Br)c1 ZINC000825934721 608034812 /nfs/dbraw/zinc/03/48/12/608034812.db2.gz QTQZIZDJKXJYOH-UHFFFAOYSA-N 0 1 397.306 2.061 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(Br)s1 ZINC000825933873 608035806 /nfs/dbraw/zinc/03/58/06/608035806.db2.gz HHQWRJNCBWCBMA-UHFFFAOYSA-N 0 1 397.306 2.061 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(Br)s1 ZINC000825933873 608035807 /nfs/dbraw/zinc/03/58/07/608035807.db2.gz HHQWRJNCBWCBMA-UHFFFAOYSA-N 0 1 397.306 2.061 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(Br)s1 ZINC000825933873 608035808 /nfs/dbraw/zinc/03/58/08/608035808.db2.gz HHQWRJNCBWCBMA-UHFFFAOYSA-N 0 1 397.306 2.061 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(Br)s1 ZINC000825933873 608035809 /nfs/dbraw/zinc/03/58/09/608035809.db2.gz HHQWRJNCBWCBMA-UHFFFAOYSA-N 0 1 397.306 2.061 20 0 GEADMN c1cc(-c2nn[nH]n2)cc([C@@H]2CN(CCc3ccc4c(c3)CCO4)CCO2)c1 ZINC000826513589 608068630 /nfs/dbraw/zinc/06/86/30/608068630.db2.gz PSRDUIPHQCAOCL-FQEVSTJZSA-N 0 1 377.448 2.418 20 0 GEADMN O=C(NCc1c[nH]nn1)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000826440636 608073140 /nfs/dbraw/zinc/07/31/40/608073140.db2.gz UWFIQMXQUDQVDE-UHFFFAOYSA-N 0 1 396.798 2.361 20 0 GEADMN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000826456561 608143598 /nfs/dbraw/zinc/14/35/98/608143598.db2.gz LXKZOMDAPJFXAG-UHFFFAOYSA-N 0 1 375.348 2.238 20 0 GEADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825918197 608163502 /nfs/dbraw/zinc/16/35/02/608163502.db2.gz AJCDIMFLMHEBIN-UHFFFAOYSA-N 0 1 392.467 2.035 20 0 GEADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825918197 608163504 /nfs/dbraw/zinc/16/35/04/608163504.db2.gz AJCDIMFLMHEBIN-UHFFFAOYSA-N 0 1 392.467 2.035 20 0 GEADMN CCc1nc([C@H](C)NC(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000825739308 608204559 /nfs/dbraw/zinc/20/45/59/608204559.db2.gz CTCBKVOMXVZKED-LURJTMIESA-N 0 1 381.227 2.345 20 0 GEADMN CCc1nnc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(-c2nn[nH]n2)c1CC ZINC000825768079 608233493 /nfs/dbraw/zinc/23/34/93/608233493.db2.gz ZCUGSVQIGHDBPM-GFCCVEGCSA-N 0 1 394.487 2.161 20 0 GEADMN CC[C@@H]1CN(Cc2cn3ccccc3c2-c2nn[nH]n2)CCN1CC(F)F ZINC000825210880 608258603 /nfs/dbraw/zinc/25/86/03/608258603.db2.gz JYXAKWXCIMONLM-CQSZACIVSA-N 0 1 375.427 2.281 20 0 GEADMN CS[C@H](C)CCC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826226224 608291344 /nfs/dbraw/zinc/29/13/44/608291344.db2.gz VDIXONVRFNNSHG-OAHLLOKOSA-N 0 1 388.541 2.433 20 0 GEADMN O=S(=O)(Nc1ccc(F)cc1OCC(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC000826492892 608296501 /nfs/dbraw/zinc/29/65/01/608296501.db2.gz KAERCIXAOSVPLH-UHFFFAOYSA-N 0 1 399.354 2.451 20 0 GEADMN CC[N@@H+]1CCC[C@H]1CN(C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825452045 608314466 /nfs/dbraw/zinc/31/44/66/608314466.db2.gz LZXRLEZTIILNIG-KRWDZBQOSA-N 0 1 380.500 2.277 20 0 GEADMN CC[N@H+]1CCC[C@H]1CN(C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825452045 608314468 /nfs/dbraw/zinc/31/44/68/608314468.db2.gz LZXRLEZTIILNIG-KRWDZBQOSA-N 0 1 380.500 2.277 20 0 GEADMN CSc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)ccn1 ZINC000826230052 608326338 /nfs/dbraw/zinc/32/63/38/608326338.db2.gz BOWBWYKJRPNKFA-UHFFFAOYSA-N 0 1 382.858 2.438 20 0 GEADMN O=C1CCCN1C[C@H](NCc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000826480761 608444224 /nfs/dbraw/zinc/44/42/24/608444224.db2.gz PHPISPMHJSOCRF-SFHVURJKSA-N 0 1 380.427 2.459 20 0 GEADMN CCOCc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825605322 608464236 /nfs/dbraw/zinc/46/42/36/608464236.db2.gz VDPRLELVOIPCLU-HNNXBMFYSA-N 0 1 394.479 2.370 20 0 GEADMN C[C@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564469 608465183 /nfs/dbraw/zinc/46/51/83/608465183.db2.gz UGAJOCYQSHVCQF-JTQLQIEISA-N 0 1 386.485 2.305 20 0 GEADMN COc1cc(NC(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc(OC)c1 ZINC000826180491 608491484 /nfs/dbraw/zinc/49/14/84/608491484.db2.gz JVDFJCUTZXGJOO-GFCCVEGCSA-N 0 1 382.424 2.173 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000826169711 608495886 /nfs/dbraw/zinc/49/58/86/608495886.db2.gz BLTOVNGHTOQDJQ-GFCCVEGCSA-N 0 1 378.436 2.245 20 0 GEADMN O=C(NC1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1)c1ccc(F)cc1 ZINC000826431127 608517411 /nfs/dbraw/zinc/51/74/11/608517411.db2.gz RYIDGSUYWATCJL-UHFFFAOYSA-N 0 1 386.456 2.462 20 0 GEADMN C[C@@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000826231938 608527645 /nfs/dbraw/zinc/52/76/45/608527645.db2.gz RXASROJSENZKRZ-BXUZGUMPSA-N 0 1 375.379 2.235 20 0 GEADMN COc1ccccc1[C@H](C)NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219168 608532240 /nfs/dbraw/zinc/53/22/40/608532240.db2.gz UWYLXJNWKHZNAZ-AWEZNQCLSA-N 0 1 392.463 2.331 20 0 GEADMN COc1cccc(F)c1[C@@H](C)NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826217100 608538675 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KDVDSUHVCCLNPB-GJZGRUSLSA-N 0 1 382.917 2.401 20 0 GEADMN CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000925143084 654534709 /nfs/dbraw/zinc/53/47/09/654534709.db2.gz PSPAVDGIUOLENO-CVEARBPZSA-N 0 1 383.539 2.182 20 0 GEADMN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000925160119 654535552 /nfs/dbraw/zinc/53/55/52/654535552.db2.gz AFPCISOGPAGMKO-OAGGEKHMSA-N 0 1 387.908 2.392 20 0 GEADMN O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000925166296 654535749 /nfs/dbraw/zinc/53/57/49/654535749.db2.gz HNKHADLVVFUPBO-SYQHCUMBSA-N 0 1 381.464 2.365 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC3(CCC3)CO2)oc1Cl ZINC000907403249 654539566 /nfs/dbraw/zinc/53/95/66/654539566.db2.gz DFSMHSCZHYJESP-JTQLQIEISA-N 0 1 377.846 2.347 20 0 GEADMN Cc1cc(OCC(=O)N2CC[C@@H](c3[nH]ncc3N)C2)ccc1Br ZINC000907424481 654541918 /nfs/dbraw/zinc/54/19/18/654541918.db2.gz OYLOAKGKHBFRRI-LLVKDONJSA-N 0 1 379.258 2.458 20 0 GEADMN CN1C(=O)N(CCN2CCCOCC2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000925341018 654541946 /nfs/dbraw/zinc/54/19/46/654541946.db2.gz LWJVZONRGJWOFA-HNNXBMFYSA-N 0 1 396.285 2.107 20 0 GEADMN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCN1C ZINC000925426977 654544313 /nfs/dbraw/zinc/54/43/13/654544313.db2.gz XJGHSJDHFCWNEV-HNNXBMFYSA-N 0 1 387.311 2.345 20 0 GEADMN C[S@](=O)(=NS(=O)(=O)NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccccc1F ZINC000907468957 654545917 /nfs/dbraw/zinc/54/59/17/654545917.db2.gz FQBTWTGGTLYKIC-QCZLMCJCSA-N 0 1 376.475 2.074 20 0 GEADMN O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000907473957 654546889 /nfs/dbraw/zinc/54/68/89/654546889.db2.gz INXZJXMDVUVBNK-SSDOTTSWSA-N 0 1 378.767 2.197 20 0 GEADMN O=C(CCC(=O)N1CCC(O)CC1)Nc1nc2cccc(Br)c2[nH]1 ZINC000925616151 654547145 /nfs/dbraw/zinc/54/71/45/654547145.db2.gz KIYKJEACKLBVOT-UHFFFAOYSA-N 0 1 395.257 2.027 20 0 GEADMN O=C(c1ccc(Cn2cc(Cl)cn2)s1)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907475956 654547168 /nfs/dbraw/zinc/54/71/68/654547168.db2.gz MGWXFRFSTZEOTK-NSHDSACASA-N 0 1 395.901 2.090 20 0 GEADMN CC(=Cc1ccc(Br)o1)C(=O)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907478928 654547772 /nfs/dbraw/zinc/54/77/72/654547772.db2.gz XOCWXFGMQVZLOE-ZEBCKKTISA-N 0 1 384.259 2.275 20 0 GEADMN O=C([C@H]1CCc2cc(Br)ccc21)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907481667 654548228 /nfs/dbraw/zinc/54/82/28/654548228.db2.gz XQPZGLDXFWOFGZ-STQMWFEESA-N 0 1 394.298 2.309 20 0 GEADMN Cc1c(F)c(Br)ccc1C(=O)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907481546 654548315 /nfs/dbraw/zinc/54/83/15/654548315.db2.gz IUYDXNRGJUIUCX-JTQLQIEISA-N 0 1 386.250 2.340 20 0 GEADMN C[C@@H](NCC[C@H]1CNCCS1(=O)=O)c1ccc(Br)cc1F ZINC000925788326 654549747 /nfs/dbraw/zinc/54/97/47/654549747.db2.gz HOSJIKOIWQNZOW-PWSUYJOCSA-N 0 1 379.295 2.016 20 0 GEADMN C[C@H](NC[C@@]1(C(F)(F)F)CCCN1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000925859811 654551908 /nfs/dbraw/zinc/55/19/08/654551908.db2.gz SHWQFSCSAAFGLV-SWLSCSKDSA-N 0 1 379.448 2.272 20 0 GEADMN O=C(C[C@H](O)C(Cl)(Cl)Cl)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000907519070 654552797 /nfs/dbraw/zinc/55/27/97/654552797.db2.gz GKTVXHVLVOYICD-MNOVXSKESA-N 0 1 377.659 2.326 20 0 GEADMN CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1[O-])C2 ZINC000926167211 654561954 /nfs/dbraw/zinc/56/19/54/654561954.db2.gz SHWJAEFEDARXRX-IIVZCXTMSA-N 0 1 397.313 2.364 20 0 GEADMN CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1[O-])C2 ZINC000926167211 654561958 /nfs/dbraw/zinc/56/19/58/654561958.db2.gz SHWJAEFEDARXRX-IIVZCXTMSA-N 0 1 397.313 2.364 20 0 GEADMN CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1[O-])C2 ZINC000926186661 654562768 /nfs/dbraw/zinc/56/27/68/654562768.db2.gz QVYFZLJBYDKKPT-IIVZCXTMSA-N 0 1 397.313 2.364 20 0 GEADMN CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1[O-])C2 ZINC000926186661 654562769 /nfs/dbraw/zinc/56/27/69/654562769.db2.gz QVYFZLJBYDKKPT-IIVZCXTMSA-N 0 1 397.313 2.364 20 0 GEADMN O=S1(=O)CC[C@@](O)(CN[C@@H](Cc2cccc(F)c2Cl)c2ccco2)C1 ZINC000926507773 654572682 /nfs/dbraw/zinc/57/26/82/654572682.db2.gz KTWYKMCUDXCPAW-WMLDXEAASA-N 0 1 387.860 2.495 20 0 GEADMN COc1ccc(C[C@H](CO)CN[C@@H]2C[C@H](C)n3ncnc32)cc1Br ZINC000926541366 654574477 /nfs/dbraw/zinc/57/44/77/654574477.db2.gz OWQJUMJDZULPSR-CORIIIEPSA-N 0 1 395.301 2.496 20 0 GEADMN C[C@H](NC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1)c1cccc(Br)n1 ZINC000926705758 654580433 /nfs/dbraw/zinc/58/04/33/654580433.db2.gz CEZXAJXNQNGVSQ-NUTKFTJISA-N 0 1 394.317 2.300 20 0 GEADMN CN1CCC2(CCN2S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000907853958 654583535 /nfs/dbraw/zinc/58/35/35/654583535.db2.gz POZLZDFDHQDOIO-UHFFFAOYSA-N 0 1 383.901 2.084 20 0 GEADMN C[C@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000926942262 654584890 /nfs/dbraw/zinc/58/48/90/654584890.db2.gz ABKDWKPZTJUCOY-JIXVBMEVSA-N 0 1 395.308 2.095 20 0 GEADMN CS(=O)(=O)C[C@@H](O)CN[C@@H](Cc1ccc(F)cc1Cl)c1ccoc1 ZINC000927027774 654589840 /nfs/dbraw/zinc/58/98/40/654589840.db2.gz NPJYNTNPTHFAJT-HOCLYGCPSA-N 0 1 375.849 2.351 20 0 GEADMN O=C(C[C@@H](O)C(Cl)(Cl)Cl)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000907961161 654593034 /nfs/dbraw/zinc/59/30/34/654593034.db2.gz ZSBINTOLDVIRPR-MRVPVSSYSA-N 0 1 399.624 2.025 20 0 GEADMN CC1(C)CCN(CCNS(=O)(=O)Cc2ncsc2Br)C1 ZINC000908087930 654603249 /nfs/dbraw/zinc/60/32/49/654603249.db2.gz JYDZLNZOBGPVKM-UHFFFAOYSA-N 0 1 382.349 2.057 20 0 GEADMN CN1C[C@H](O)C[C@]1(C)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000908262216 654618061 /nfs/dbraw/zinc/61/80/61/654618061.db2.gz STBUXRBAWDCRML-SJKOYZFVSA-N 0 1 380.286 2.044 20 0 GEADMN CCc1[nH]nc(C(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1Br ZINC000928018214 654626787 /nfs/dbraw/zinc/62/67/87/654626787.db2.gz GTYUNGBOJYHJSB-VFZGTOFNSA-N 0 1 385.262 2.085 20 0 GEADMN O=C(Cc1ccc(Br)cc1O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000928087338 654629381 /nfs/dbraw/zinc/62/93/81/654629381.db2.gz BZSIEQLMKXUOHL-KBPBESRZSA-N 0 1 385.327 2.393 20 0 GEADMN O=C(CCc1nc(-c2ccsc2)no1)N[C@H]1CCCN2CCSC[C@H]12 ZINC000928094982 654630219 /nfs/dbraw/zinc/63/02/19/654630219.db2.gz IHRIEYCWXQKRTQ-UONOGXRCSA-N 0 1 378.523 2.427 20 0 GEADMN CN1C[C@@H](O)C[C@]1(C)C(=O)NCCc1ccc(Br)cc1Cl ZINC000908453300 654630534 /nfs/dbraw/zinc/63/05/34/654630534.db2.gz VOQHHGNNYOCBHD-SWLSCSKDSA-N 0 1 375.694 2.216 20 0 GEADMN O=C(N[C@H]1CCCN2CCSC[C@H]12)c1cc(Br)cn2ccnc12 ZINC000928100605 654630865 /nfs/dbraw/zinc/63/08/65/654630865.db2.gz IUSHPIYPYNMKBS-UONOGXRCSA-N 0 1 395.326 2.406 20 0 GEADMN COCCOCC[N@H+](C)CCC(=O)Nc1cccc([O-])c1Br ZINC000908709165 654638697 /nfs/dbraw/zinc/63/86/97/654638697.db2.gz AXEMJYOWAUPGTP-UHFFFAOYSA-N 0 1 375.263 2.078 20 0 GEADMN COCCOCC[N@@H+](C)CCC(=O)Nc1cccc([O-])c1Br ZINC000908709165 654638699 /nfs/dbraw/zinc/63/86/99/654638699.db2.gz AXEMJYOWAUPGTP-UHFFFAOYSA-N 0 1 375.263 2.078 20 0 GEADMN C[N@H+]1CCC[C@@H](NC(=O)N2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])C1 ZINC000908872221 654642964 /nfs/dbraw/zinc/64/29/64/654642964.db2.gz XIWUOTVKUNXWBX-DOMZBBRYSA-N 0 1 396.285 2.064 20 0 GEADMN CN(CC(=O)N1CCC[C@H]1c1ncc(Br)cn1)[C@H]1CCSC1 ZINC000928359982 654643653 /nfs/dbraw/zinc/64/36/53/654643653.db2.gz YYJOYEMJBFVBNH-STQMWFEESA-N 0 1 385.331 2.340 20 0 GEADMN O=C([O-])[C@@]1(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCSC1 ZINC000908892671 654643943 /nfs/dbraw/zinc/64/39/43/654643943.db2.gz IMTPYASXLJYTPL-CXAGYDPISA-N 0 1 383.539 2.220 20 0 GEADMN Cc1[nH+]ccn1CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908913095 654645582 /nfs/dbraw/zinc/64/55/82/654645582.db2.gz HEZUYJJZLFUISY-CYBMUJFWSA-N 0 1 381.230 2.079 20 0 GEADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@]2(C(=O)[O-])CCSC2)[C@H]1c1cccs1 ZINC000909066741 654651612 /nfs/dbraw/zinc/65/16/12/654651612.db2.gz MLFUILNGDALREN-HACGYAERSA-N 0 1 383.539 2.391 20 0 GEADMN C[N@H+]1CC[C@H](CNC(=O)N[C@H](CF)C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000909108707 654652648 /nfs/dbraw/zinc/65/26/48/654652648.db2.gz VZAWESNBEMAFBK-LERXQTSPSA-N 0 1 375.803 2.194 20 0 GEADMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000909142582 654653689 /nfs/dbraw/zinc/65/36/89/654653689.db2.gz NLSGVBHOQGNIDN-VCTAVGKDSA-N 0 1 396.285 2.357 20 0 GEADMN C[C@@H](Cc1cccc(Br)c1)NC(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000909402755 654663125 /nfs/dbraw/zinc/66/31/25/654663125.db2.gz CUTJXCYEIIWPFP-JSGCOSHPSA-N 0 1 383.286 2.293 20 0 GEADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000909407652 654663333 /nfs/dbraw/zinc/66/33/33/654663333.db2.gz WAHQWHVRPQUMPO-CYBMUJFWSA-N 0 1 381.270 2.130 20 0 GEADMN CN(Cc1csc(Br)c1)C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000909404986 654663345 /nfs/dbraw/zinc/66/33/45/654663345.db2.gz SMMPTZNFIGKWMT-NSHDSACASA-N 0 1 375.288 2.266 20 0 GEADMN Cc1cc(C(=O)N2CCN(C(=O)c3ccnc(Cl)c3Cl)[C@H](C)C2)n[nH]1 ZINC000909571239 654668230 /nfs/dbraw/zinc/66/82/30/654668230.db2.gz YXRBUOILAFUOOA-SNVBAGLBSA-N 0 1 382.251 2.407 20 0 GEADMN C[C@@H](C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)[NH+]1CCSCC1 ZINC000909630035 654669855 /nfs/dbraw/zinc/66/98/55/654669855.db2.gz KOUPEAISORAIQI-VBNZEHGJSA-N 0 1 382.913 2.404 20 0 GEADMN 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Cc1cc(SCC(=O)NCCN2CC[C@@H](O)C2)c(C)cc1Br ZINC000629178819 532482434 /nfs/dbraw/zinc/48/24/34/532482434.db2.gz ANUNVBMNNAQKET-CYBMUJFWSA-N 0 1 387.343 2.341 20 0 GEADMN COc1c(Cl)cc(NC(=O)C(=O)NCc2n[nH]c(C(C)C)n2)cc1Cl ZINC000296045960 532497030 /nfs/dbraw/zinc/49/70/30/532497030.db2.gz IHDYPFPBTSDYME-UHFFFAOYSA-N 0 1 386.239 2.498 20 0 GEADMN CCOC[C@H](C)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000430046896 532487682 /nfs/dbraw/zinc/48/76/82/532487682.db2.gz QEQXHIFKUFOXJM-JTQLQIEISA-N 0 1 382.262 2.458 20 0 GEADMN CCOC[C@H](C)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000430046896 532487688 /nfs/dbraw/zinc/48/76/88/532487688.db2.gz QEQXHIFKUFOXJM-JTQLQIEISA-N 0 1 382.262 2.458 20 0 GEADMN O=C(N1CCN(C2CCOCC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000282689992 532487728 /nfs/dbraw/zinc/48/77/28/532487728.db2.gz RMTWVDGVUXWDJD-UHFFFAOYSA-N 0 1 394.313 2.199 20 0 GEADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)C1(c2cncc(Br)c2)CC1 ZINC000684998513 532489098 /nfs/dbraw/zinc/48/90/98/532489098.db2.gz 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QIKNCLUJRFRGMJ-QMMMGPOBSA-N 0 1 399.182 2.403 20 0 GEADMN CS(=O)(=O)CC[C@@H](N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000237329788 532506807 /nfs/dbraw/zinc/50/68/07/532506807.db2.gz QJVKDIHZMABVHQ-CYBMUJFWSA-N 0 1 387.914 2.088 20 0 GEADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@@H](N)CCS(C)(=O)=O ZINC000237324331 532507911 /nfs/dbraw/zinc/50/79/11/532507911.db2.gz HQMFXUUIFLWQBT-RISCZKNCSA-N 0 1 381.523 2.058 20 0 GEADMN C[C@@H](CN1CCN(C)CC1)NC(=O)NCCOc1cccc(Cl)c1Cl ZINC000521237967 532509681 /nfs/dbraw/zinc/50/96/81/532509681.db2.gz KQBCWZISSUZTDI-ZDUSSCGKSA-N 0 1 389.327 2.307 20 0 GEADMN CCC[C@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CCN1CCOC ZINC000469739216 532509746 /nfs/dbraw/zinc/50/97/46/532509746.db2.gz GREMEDBDWHXLMF-LBPRGKRZSA-N 0 1 386.290 2.123 20 0 GEADMN C[C@H]1[C@H](C)N(C(=O)COc2cccc(I)c2)CCN1C ZINC000469724337 532510143 /nfs/dbraw/zinc/51/01/43/532510143.db2.gz FGEQIRHLIYEUNC-RYUDHWBXSA-N 0 1 388.249 2.221 20 0 GEADMN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1 ZINC000431336788 532510173 /nfs/dbraw/zinc/51/01/73/532510173.db2.gz FVQWQKPPJYVPPT-UHFFFAOYSA-N 0 1 383.495 2.221 20 0 GEADMN CN(Cc1nnc[nH]1)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000282964314 532510252 /nfs/dbraw/zinc/51/02/52/532510252.db2.gz ZWZOCENXNWRIKZ-UHFFFAOYSA-N 0 1 382.205 2.100 20 0 GEADMN C[N@@H+](CCN1CCCS1(=O)=O)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000652434157 532512434 /nfs/dbraw/zinc/51/24/34/532512434.db2.gz UAYSZDPQDYZYEO-ZDUSSCGKSA-N 0 1 381.281 2.086 20 0 GEADMN Cc1cc(Br)cc2c1C[N@H+](CCc1cn(CC(=O)[O-])nn1)CC2 ZINC000652442480 532513680 /nfs/dbraw/zinc/51/36/80/532513680.db2.gz IAWDNQHHWHBGQB-UHFFFAOYSA-N 0 1 379.258 2.034 20 0 GEADMN Cc1cc(Br)cc2c1C[N@@H+](CCc1cn(CC(=O)[O-])nn1)CC2 ZINC000652442480 532513689 /nfs/dbraw/zinc/51/36/89/532513689.db2.gz IAWDNQHHWHBGQB-UHFFFAOYSA-N 0 1 379.258 2.034 20 0 GEADMN [NH3+]CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000237982807 532514398 /nfs/dbraw/zinc/51/43/98/532514398.db2.gz UZVJEJJZAKQYQP-UHFFFAOYSA-N 0 1 388.276 2.483 20 0 GEADMN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000296315706 532514860 /nfs/dbraw/zinc/51/48/60/532514860.db2.gz WTMQWLQUJRSUEI-UHFFFAOYSA-N 0 1 396.220 2.147 20 0 GEADMN Cc1ccc(NC(=O)C(=O)NCc2n[nH]c(C3CC3)n2)c(Br)c1 ZINC000296352737 532515485 /nfs/dbraw/zinc/51/54/85/532515485.db2.gz YZNHWAMHUITFMQ-UHFFFAOYSA-N 0 1 378.230 2.008 20 0 GEADMN C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000652496348 532515787 /nfs/dbraw/zinc/51/57/87/532515787.db2.gz SEYSZTNQRYYZQB-RISCZKNCSA-N 0 1 390.299 2.265 20 0 GEADMN C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000652496348 532515791 /nfs/dbraw/zinc/51/57/91/532515791.db2.gz SEYSZTNQRYYZQB-RISCZKNCSA-N 0 1 390.299 2.265 20 0 GEADMN O=C([O-])[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000652515226 532516087 /nfs/dbraw/zinc/51/60/87/532516087.db2.gz UNYPQAXYANSWQL-CWRNSKLLSA-N 0 1 384.270 2.231 20 0 GEADMN N[C@H](c1cn(Cc2ccccc2I)nn1)[C@@H]1CCCO1 ZINC000594650913 532516552 /nfs/dbraw/zinc/51/65/52/532516552.db2.gz AYBPPGALWAXQOE-UONOGXRCSA-N 0 1 384.221 2.110 20 0 GEADMN CN1CCN(C2CCN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)C(=O)C1 ZINC000374770837 532518087 /nfs/dbraw/zinc/51/80/87/532518087.db2.gz IFBGZQVPMFZAEG-QGZVFWFLSA-N 0 1 386.323 2.265 20 0 GEADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593870159 532499870 /nfs/dbraw/zinc/49/98/70/532499870.db2.gz ZEJYMMJPWFPTGN-YEZLUTFDSA-N 0 1 380.267 2.185 20 0 GEADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296709129 532536287 /nfs/dbraw/zinc/53/62/87/532536287.db2.gz AUSSFCJOZHDECT-QWRGUYRKSA-N 0 1 380.436 2.233 20 0 GEADMN COC(=O)CCN1CC[C@H](Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C1=O ZINC000594882748 532539038 /nfs/dbraw/zinc/53/90/38/532539038.db2.gz MBTKOYQEXCTLHR-LBPRGKRZSA-N 0 1 380.857 2.381 20 0 GEADMN CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000296753102 532539707 /nfs/dbraw/zinc/53/97/07/532539707.db2.gz PUXZCCGGGSWKII-SNVBAGLBSA-N 0 1 382.463 2.373 20 0 GEADMN C[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C(=O)[O-] ZINC000564962328 532541244 /nfs/dbraw/zinc/54/12/44/532541244.db2.gz BGXLTBIHCHLFGV-SMDDNHRTSA-N 0 1 390.299 2.265 20 0 GEADMN C[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C(=O)[O-] ZINC000564962328 532541249 /nfs/dbraw/zinc/54/12/49/532541249.db2.gz BGXLTBIHCHLFGV-SMDDNHRTSA-N 0 1 390.299 2.265 20 0 GEADMN COc1cc(CNCC(C)(C)NS(C)(=O)=O)c(F)cc1Br ZINC000631068512 532543087 /nfs/dbraw/zinc/54/30/87/532543087.db2.gz SCUJICCZUIHVRO-UHFFFAOYSA-N 0 1 383.283 2.014 20 0 GEADMN CC(=O)N[C@@H](CC(=O)NCCN1CC=CCC1)c1ccc(Br)cc1 ZINC000527017493 532544213 /nfs/dbraw/zinc/54/42/13/532544213.db2.gz ILYZWMHBEXKCBN-KRWDZBQOSA-N 0 1 394.313 2.395 20 0 GEADMN O=C(NC1(c2nn[nH]n2)CCCC1)c1ccc(Br)c2c1OCCC2 ZINC000564274319 532520025 /nfs/dbraw/zinc/52/00/25/532520025.db2.gz KNBAASIPDBWDIL-UHFFFAOYSA-N 0 1 392.257 2.487 20 0 GEADMN NS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000564361705 532523619 /nfs/dbraw/zinc/52/36/19/532523619.db2.gz DUEIZQRSIICGTN-GFCCVEGCSA-N 0 1 384.395 2.267 20 0 GEADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)NCC1CCSCC1 ZINC000283511323 532545015 /nfs/dbraw/zinc/54/50/15/532545015.db2.gz QDTCZOJFPZHUNE-HNNXBMFYSA-N 0 1 381.567 2.261 20 0 GEADMN CC(C)[N@H+]1CCc2nc(CN(CCC(F)(F)F)C[C@H](O)CO)sc2C1 ZINC000374964161 532525319 /nfs/dbraw/zinc/52/53/19/532525319.db2.gz PCFOAZXTNLQNDC-LBPRGKRZSA-N 0 1 381.464 2.017 20 0 GEADMN CC(C)N1CCc2nc(CN(CCC(F)(F)F)C[C@H](O)CO)sc2C1 ZINC000374964161 532525324 /nfs/dbraw/zinc/52/53/24/532525324.db2.gz PCFOAZXTNLQNDC-LBPRGKRZSA-N 0 1 381.464 2.017 20 0 GEADMN O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000594769446 532525548 /nfs/dbraw/zinc/52/55/48/532525548.db2.gz GOUUAEJUMMCTPC-ZDUSSCGKSA-N 0 1 378.416 2.390 20 0 GEADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652900812 532525790 /nfs/dbraw/zinc/52/57/90/532525790.db2.gz CCRPFLPNPGEUOF-ZDUSSCGKSA-N 0 1 392.301 2.090 20 0 GEADMN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)c(Br)c1 ZINC000431965997 532525999 /nfs/dbraw/zinc/52/59/99/532525999.db2.gz SHTVPBQHIGSTJV-LBPRGKRZSA-N 0 1 380.286 2.357 20 0 GEADMN CCCOc1c(Br)cc(Br)cc1CNC[C@H](O)CO ZINC000470350894 532526145 /nfs/dbraw/zinc/52/61/45/532526145.db2.gz DMCHDEKPIWUHSU-NSHDSACASA-N 0 1 397.107 2.443 20 0 GEADMN O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1cc(Br)ccc1F ZINC000594774558 532526286 /nfs/dbraw/zinc/52/62/86/532526286.db2.gz BLAUHFVGCPPQPK-GFCCVEGCSA-N 0 1 377.279 2.351 20 0 GEADMN CN(C)S(=O)(=O)c1ccsc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470350265 532526355 /nfs/dbraw/zinc/52/63/55/532526355.db2.gz UZRMOIWUNDWWSO-UHFFFAOYSA-N 0 1 384.527 2.291 20 0 GEADMN CS(=O)(=O)c1ccc(CN[C@H](Cc2ccc(F)cc2)C(N)=O)cc1Cl ZINC000432235731 532531672 /nfs/dbraw/zinc/53/16/72/532531672.db2.gz LUABZVNLIYPOAA-OAHLLOKOSA-N 0 1 384.860 2.069 20 0 GEADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3csc(S(N)(=O)=O)c3)cccc21 ZINC000564810621 532532672 /nfs/dbraw/zinc/53/26/72/532532672.db2.gz GXZLGOWNMLLMQN-CYBMUJFWSA-N 0 1 381.479 2.033 20 0 GEADMN O=C(NCCc1cccs1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000283326826 532533498 /nfs/dbraw/zinc/53/34/98/532533498.db2.gz GBTQQQOXTFXNHN-HNNXBMFYSA-N 0 1 377.535 2.422 20 0 GEADMN Cc1ccc2c([n-]cc(C(=O)NCc3ccc(S(C)(=O)=O)s3)c2=O)[nH+]1 ZINC000471451980 532551346 /nfs/dbraw/zinc/55/13/46/532551346.db2.gz PEEXXADBFZLUPA-UHFFFAOYSA-N 0 1 377.447 2.039 20 0 GEADMN C[C@H](CNC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)N1CCN(C)CC1 ZINC000631289119 532552957 /nfs/dbraw/zinc/55/29/57/532552957.db2.gz OLYPOHSSGXAGGZ-LJHODMEESA-N 0 1 394.357 2.479 20 0 GEADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCCN1CCC(O)CC1 ZINC000296912810 532553305 /nfs/dbraw/zinc/55/33/05/532553305.db2.gz LDWPFXRWEQZWEE-GFCCVEGCSA-N 0 1 387.293 2.340 20 0 GEADMN CC(C)Oc1cc(Cl)c(CNC[C@@]2(O)CCS(=O)(=O)C2)cc1Cl ZINC000527712858 532554102 /nfs/dbraw/zinc/55/41/02/532554102.db2.gz LITMEDZJFCQIGE-HNNXBMFYSA-N 0 1 382.309 2.420 20 0 GEADMN C[C@H](O)CN1CCN(C(=O)NCc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000248694261 532554578 /nfs/dbraw/zinc/55/45/78/532554578.db2.gz YKQZSSGQJBAQNQ-RYUDHWBXSA-N 0 1 388.281 2.185 20 0 GEADMN CN1CCCC[C@H]1C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000654252331 532555457 /nfs/dbraw/zinc/55/54/57/532555457.db2.gz MJBRLQDDAVTZMS-CJNGLKHVSA-N 0 1 387.293 2.340 20 0 GEADMN COC(=O)[C@@H](c1ccccc1Br)N1CCN(CC(C)(C)O)CC1 ZINC000595306115 532555529 /nfs/dbraw/zinc/55/55/29/532555529.db2.gz KVXUMVBWFDCUCX-OAHLLOKOSA-N 0 1 385.302 2.052 20 0 GEADMN COc1ccc(Br)cc1C[C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC000654252077 532555509 /nfs/dbraw/zinc/55/55/09/532555509.db2.gz CPQNMZQOGPOLPD-BBRMVZONSA-N 0 1 399.329 2.209 20 0 GEADMN Cn1cnnc1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631727679 532557804 /nfs/dbraw/zinc/55/78/04/532557804.db2.gz FCGVXCXIUKHBDU-BQBZGAKWSA-N 0 1 380.314 2.003 20 0 GEADMN CC1(C)CCc2sc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)nc21 ZINC000565356869 532558813 /nfs/dbraw/zinc/55/88/13/532558813.db2.gz WMEYWZPUVDMULH-UHFFFAOYSA-N 0 1 379.463 2.499 20 0 GEADMN CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000528050500 532558852 /nfs/dbraw/zinc/55/88/52/532558852.db2.gz ZCLFUKSJZYEWLK-AWEZNQCLSA-N 0 1 390.347 2.134 20 0 GEADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000631754231 532559371 /nfs/dbraw/zinc/55/93/71/532559371.db2.gz BXJXVWQITMDYFR-KCPJHIHWSA-N 0 1 378.416 2.309 20 0 GEADMN CO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000565374506 532560681 /nfs/dbraw/zinc/56/06/81/532560681.db2.gz ZAJSDWQYHLTQHX-OUCADQQQSA-N 0 1 378.252 2.297 20 0 GEADMN C[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)[C@@H](C)C1 ZINC000249114802 532561098 /nfs/dbraw/zinc/56/10/98/532561098.db2.gz RXEPWWPPZMQYCC-STQMWFEESA-N 0 1 394.313 2.386 20 0 GEADMN O=C(NCCc1ccc(Br)cc1)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654447605 532562103 /nfs/dbraw/zinc/56/21/03/532562103.db2.gz ALJLALSUCMRWEH-ZDUSSCGKSA-N 0 1 394.273 2.461 20 0 GEADMN CC(C)(CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1Br ZINC000654500595 532562862 /nfs/dbraw/zinc/56/28/62/532562862.db2.gz TXFFNKOKUOZXMV-UONOGXRCSA-N 0 1 396.329 2.187 20 0 GEADMN CN1CCN(CCCS(=O)(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 ZINC000631835775 532563938 /nfs/dbraw/zinc/56/39/38/532563938.db2.gz XHYCJMOZAOZHEN-UHFFFAOYSA-N 0 1 387.977 2.175 20 0 GEADMN CN1CCN(CCCS(=O)(=O)N2CC(C)(C)c3c2cccc3Cl)CC1 ZINC000631839186 532563990 /nfs/dbraw/zinc/56/39/90/532563990.db2.gz BONHSZCDXOWOHX-UHFFFAOYSA-N 0 1 385.961 2.405 20 0 GEADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[S@@](=O)C1 ZINC000297059675 532564437 /nfs/dbraw/zinc/56/44/37/532564437.db2.gz CYURGYCRGSPBMK-ITNZAGEZSA-N 0 1 383.583 2.370 20 0 GEADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000249407037 532564563 /nfs/dbraw/zinc/56/45/63/532564563.db2.gz DKPAXLNTAQYCIX-HIFRSBDPSA-N 0 1 398.345 2.295 20 0 GEADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCCC12CCC2 ZINC000375524920 532565380 /nfs/dbraw/zinc/56/53/80/532565380.db2.gz UTJXGHSIOMFMOA-UHFFFAOYSA-N 0 1 388.511 2.164 20 0 GEADMN Cc1ccsc1[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1CNCCO1 ZINC000631920746 532566640 /nfs/dbraw/zinc/56/66/40/532566640.db2.gz FUIBSXNNZVUOPD-DLBZAZTESA-N 0 1 380.535 2.248 20 0 GEADMN CC(C)[C@H](NS(=O)(=O)C[C@H]1CNCCO1)c1cccc(C(F)(F)F)c1 ZINC000631917646 532566874 /nfs/dbraw/zinc/56/68/74/532566874.db2.gz NCHWLTFQOPICJH-CABCVRRESA-N 0 1 380.432 2.310 20 0 GEADMN C[C@H]1COCC[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000433410238 532567042 /nfs/dbraw/zinc/56/70/42/532567042.db2.gz MRGDKBOODPYACX-GXFFZTMASA-N 0 1 394.273 2.458 20 0 GEADMN C[C@H]1COCC[C@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000433410238 532567049 /nfs/dbraw/zinc/56/70/49/532567049.db2.gz MRGDKBOODPYACX-GXFFZTMASA-N 0 1 394.273 2.458 20 0 GEADMN C[C@H]1COCC[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000433410237 532567353 /nfs/dbraw/zinc/56/73/53/532567353.db2.gz MRGDKBOODPYACX-GWCFXTLKSA-N 0 1 394.273 2.458 20 0 GEADMN C[C@H]1COCC[C@@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000433410237 532567362 /nfs/dbraw/zinc/56/73/62/532567362.db2.gz MRGDKBOODPYACX-GWCFXTLKSA-N 0 1 394.273 2.458 20 0 GEADMN C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3Cl)C[C@H]21 ZINC000375580279 532567598 /nfs/dbraw/zinc/56/75/98/532567598.db2.gz YQERWLWMJOZSFK-BXKDBHETSA-N 0 1 393.292 2.406 20 0 GEADMN C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3Cl)C[C@@H]21 ZINC000375580281 532567730 /nfs/dbraw/zinc/56/77/30/532567730.db2.gz YQERWLWMJOZSFK-CABZTGNLSA-N 0 1 393.292 2.406 20 0 GEADMN CN(C)c1nc2sc(C(=O)NCc3n[nH]c([C@H]4CCCO4)n3)cc2s1 ZINC000655237060 532582499 /nfs/dbraw/zinc/58/24/99/532582499.db2.gz UHZAFXVLCNVFTF-MRVPVSSYSA-N 0 1 378.483 2.323 20 0 GEADMN C/C=C\C[C@@H](NS(=O)(=O)c1nc(C)c(Br)s1)C(=O)OCC ZINC000433884308 532582438 /nfs/dbraw/zinc/58/24/38/532582438.db2.gz IXXYMSCBHZAPGK-XTULLQBASA-N 0 1 397.316 2.390 20 0 GEADMN COc1ccc(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc1Br ZINC000655235248 532582519 /nfs/dbraw/zinc/58/25/19/532582519.db2.gz DELONIOERZPCGV-GFCCVEGCSA-N 0 1 381.230 2.357 20 0 GEADMN O=C(C[C@@H]1COCCN1)N1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000375970989 532588330 /nfs/dbraw/zinc/58/83/30/532588330.db2.gz ZWGLNDZKQSPDHT-IUODEOHRSA-N 0 1 386.279 2.301 20 0 GEADMN O=C(C[C@H]1COCCN1)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000375968439 532588395 /nfs/dbraw/zinc/58/83/95/532588395.db2.gz JFGOVUAHGFYZHX-SWLSCSKDSA-N 0 1 386.279 2.301 20 0 GEADMN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000473377207 532589966 /nfs/dbraw/zinc/58/99/66/532589966.db2.gz QKFOGRRZRFRCIX-JTQLQIEISA-N 0 1 384.249 2.188 20 0 GEADMN CN1CCN(CCCS(=O)(=O)N2CCCCc3c(Cl)cccc32)CC1 ZINC000632208299 532590015 /nfs/dbraw/zinc/59/00/15/532590015.db2.gz YZHJLKLDMUMMPO-UHFFFAOYSA-N 0 1 385.961 2.450 20 0 GEADMN Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)c1ncc(Br)cn1 ZINC000566046783 532590281 /nfs/dbraw/zinc/59/02/81/532590281.db2.gz WVYWGWXNUIESLU-LBPRGKRZSA-N 0 1 388.269 2.449 20 0 GEADMN NC(=O)c1nccnc1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000473383894 532590327 /nfs/dbraw/zinc/59/03/27/532590327.db2.gz CQRDIKZWSLRYDZ-UHFFFAOYSA-N 0 1 378.776 2.139 20 0 GEADMN C[C@@H](NC(=O)NCCN1CCCOCC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000297545474 532595818 /nfs/dbraw/zinc/59/58/18/532595818.db2.gz ZEOBJESBCBPGCF-WBMJQRKESA-N 0 1 390.311 2.437 20 0 GEADMN C[C@@H](CO)N1CCCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000376048512 532593367 /nfs/dbraw/zinc/59/33/67/532593367.db2.gz ROXJTPUPIHSRHB-JTQLQIEISA-N 0 1 377.229 2.256 20 0 GEADMN CC(C)c1ccccc1OC[C@@H](O)CNCc1ccc(S(N)(=O)=O)s1 ZINC000566108251 532593505 /nfs/dbraw/zinc/59/35/05/532593505.db2.gz USBPXJZFKQHFJE-ZDUSSCGKSA-N 0 1 384.523 2.048 20 0 GEADMN CC[C@H](NC(=O)[C@H](N)COC)c1noc(-c2cccc(Br)c2)n1 ZINC000376063119 532594675 /nfs/dbraw/zinc/59/46/75/532594675.db2.gz XQLYAPBEUQOZBV-NEPJUHHUSA-N 0 1 383.246 2.040 20 0 GEADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCCCCn1cc(Br)cn1 ZINC000472312008 532570411 /nfs/dbraw/zinc/57/04/11/532570411.db2.gz IXKDZDMUSJYZSA-OAHLLOKOSA-N 0 1 386.338 2.407 20 0 GEADMN Cc1nn(C)c(S(=O)(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1C(F)F ZINC000565587674 532571424 /nfs/dbraw/zinc/57/14/24/532571424.db2.gz 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Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000737523183 598851588 /nfs/dbraw/zinc/85/15/88/598851588.db2.gz HKJNHROECDMRJS-IAGOWNOFSA-N 0 1 380.456 2.035 20 0 GEADMN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CCOC[C@@H]1CC(C)C ZINC000737523216 598853311 /nfs/dbraw/zinc/85/33/11/598853311.db2.gz HSGQDDLPEPLDHJ-KRWDZBQOSA-N 0 1 382.472 2.138 20 0 GEADMN O=C(CN(CCc1cccc(F)c1)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737864620 598873555 /nfs/dbraw/zinc/87/35/55/598873555.db2.gz LXRMNSIDEAQKSS-UHFFFAOYSA-N 0 1 394.454 2.329 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000737187365 598922293 /nfs/dbraw/zinc/92/22/93/598922293.db2.gz RBGBZJGCFLRKEE-ZDUSSCGKSA-N 0 1 396.476 2.319 20 0 GEADMN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736940409 598948388 /nfs/dbraw/zinc/94/83/88/598948388.db2.gz KZVDMUDBHFUBCU-UHFFFAOYSA-N 0 1 387.421 2.071 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCN(Cc2ccccc2)CC1 ZINC000737031009 598980394 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C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)C1=O ZINC000818084823 597043717 /nfs/dbraw/zinc/04/37/17/597043717.db2.gz CSMVOHISPWUKTJ-KPZWWZAWSA-N 0 1 379.844 2.251 20 0 GEADMN C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)C1=O ZINC000818084823 597043721 /nfs/dbraw/zinc/04/37/21/597043721.db2.gz CSMVOHISPWUKTJ-KPZWWZAWSA-N 0 1 379.844 2.251 20 0 GEADMN C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818084826 597043791 /nfs/dbraw/zinc/04/37/91/597043791.db2.gz CSMVOHISPWUKTJ-XIKOKIGWSA-N 0 1 379.844 2.251 20 0 GEADMN C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818084826 597043793 /nfs/dbraw/zinc/04/37/93/597043793.db2.gz CSMVOHISPWUKTJ-XIKOKIGWSA-N 0 1 379.844 2.251 20 0 GEADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)c2)CCO1 ZINC000818114222 597059296 /nfs/dbraw/zinc/05/92/96/597059296.db2.gz YYSVYMFXYWEHIM-VQIMIIECSA-N 0 1 389.496 2.304 20 0 GEADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)c2)CCO1 ZINC000818114222 597059298 /nfs/dbraw/zinc/05/92/98/597059298.db2.gz YYSVYMFXYWEHIM-VQIMIIECSA-N 0 1 389.496 2.304 20 0 GEADMN CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1CCOC ZINC000736408537 599240775 /nfs/dbraw/zinc/24/07/75/599240775.db2.gz KAGSBNKZPYEUHF-ZDUSSCGKSA-N 0 1 393.879 2.095 20 0 GEADMN CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1CCOC ZINC000736408536 599240821 /nfs/dbraw/zinc/24/08/21/599240821.db2.gz KAGSBNKZPYEUHF-CYBMUJFWSA-N 0 1 393.879 2.095 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H](SC)C2)cc1-c1nn[nH]n1 ZINC000737187803 599242430 /nfs/dbraw/zinc/24/24/30/599242430.db2.gz VPCQYWYWQLIXLP-BDAKNGLRSA-N 0 1 380.499 2.093 20 0 GEADMN CCN(CC)[C@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736533704 599242676 /nfs/dbraw/zinc/24/26/76/599242676.db2.gz IXHPFCDKNWLBIX-IBGZPJMESA-N 0 1 394.479 2.445 20 0 GEADMN Cc1c(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cccc1-c1nn[nH]n1 ZINC000822104683 607292845 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397.508 2.238 20 0 GEADMN CCOC(=O)CCCCCN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736592458 599268420 /nfs/dbraw/zinc/26/84/20/599268420.db2.gz QVDDQSVXCROJNL-UHFFFAOYSA-N 0 1 390.463 2.251 20 0 GEADMN CC(C)(C)n1cc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])c(Br)n1 ZINC000819940449 597637502 /nfs/dbraw/zinc/63/75/02/597637502.db2.gz FTVAWRYPHBRJEX-JTQLQIEISA-N 0 1 388.262 2.106 20 0 GEADMN Cc1nc(COC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)n[nH]1 ZINC000822444135 607319588 /nfs/dbraw/zinc/31/95/88/607319588.db2.gz CRFHHMBSGHTQHX-UHFFFAOYSA-N 0 1 391.391 2.229 20 0 GEADMN CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000635530166 598170681 /nfs/dbraw/zinc/17/06/81/598170681.db2.gz RRBJPYCFOSYQOO-MSOLQXFVSA-N 0 1 382.549 2.220 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000821415449 598172828 /nfs/dbraw/zinc/17/28/28/598172828.db2.gz NQMMLRVUNIIEIO-INIZCTEOSA-N 0 1 385.420 2.260 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 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CSc1nc(C2CC2)cc(C(=O)N2CCC([NH+](C)C)CC2)c1-c1nn[n-]n1 ZINC000737189407 598536226 /nfs/dbraw/zinc/53/62/26/598536226.db2.gz MBJCNQWVGKJNJX-UHFFFAOYSA-N 0 1 387.513 2.027 20 0 GEADMN CN(C)c1ccccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736779158 598607027 /nfs/dbraw/zinc/60/70/27/598607027.db2.gz LCOKUJPFNLURGH-UHFFFAOYSA-N 0 1 378.845 2.387 20 0 GEADMN CCN(CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736537053 598621378 /nfs/dbraw/zinc/62/13/78/598621378.db2.gz PUNVUWHFLVGNKM-LJQANCHMSA-N 0 1 392.463 2.373 20 0 GEADMN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736480746 598621470 /nfs/dbraw/zinc/62/14/70/598621470.db2.gz NABWGLRFUBLYFT-AWEZNQCLSA-N 0 1 382.390 2.242 20 0 GEADMN CN(Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736829596 598621759 /nfs/dbraw/zinc/62/17/59/598621759.db2.gz HNBYOSNNHBWQHS-SFHVURJKSA-N 0 1 387.447 2.357 20 0 GEADMN CC1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)CC1 ZINC000736279770 598720520 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GEADMN Cc1nn(C)c(C)c1CN1CCN([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737509763 599317592 /nfs/dbraw/zinc/31/75/92/599317592.db2.gz JMIHJCUPCSQFGE-HNNXBMFYSA-N 0 1 380.500 2.096 20 0 GEADMN COc1ccc(CNCc2cc3c(cc2OC)C[C@H](C)O3)cc1-c1nn[nH]n1 ZINC000821728328 599401704 /nfs/dbraw/zinc/40/17/04/599401704.db2.gz UNDQMEDCDRVKNI-LBPRGKRZSA-N 0 1 381.436 2.497 20 0 GEADMN CN(C)[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccsc1 ZINC000821579846 599407165 /nfs/dbraw/zinc/40/71/65/599407165.db2.gz QAUSBQSUNYYNIL-OAHLLOKOSA-N 0 1 389.460 2.169 20 0 GEADMN COc1ccc(CNCc2ccc(OC)c(OC)c2OC)cc1-c1nn[nH]n1 ZINC000821818496 599409200 /nfs/dbraw/zinc/40/92/00/599409200.db2.gz SYSJDFPNEODFCI-UHFFFAOYSA-N 0 1 385.424 2.191 20 0 GEADMN CC(C)Oc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1-c1nn[nH]n1 ZINC000820178085 607375412 /nfs/dbraw/zinc/37/54/12/607375412.db2.gz HCCHOXKPAZXMHH-UHFFFAOYSA-N 0 1 399.436 2.331 20 0 GEADMN Fc1ccc(-c2nn[nH]n2)cc1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000822761266 599457119 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ZINC000820722861 599654897 /nfs/dbraw/zinc/65/48/97/599654897.db2.gz QFTVFUOYIOOVQJ-AWEZNQCLSA-N 0 1 393.451 2.235 20 0 GEADMN Clc1nsc(N2CCC(OCC[NH+]3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000822591588 599689252 /nfs/dbraw/zinc/68/92/52/599689252.db2.gz WHKLMNSGOKIYAT-UHFFFAOYSA-N 0 1 383.909 2.058 20 0 GEADMN Clc1nsc(N2CCC(OCC[NH+]3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000822591588 599689253 /nfs/dbraw/zinc/68/92/53/599689253.db2.gz WHKLMNSGOKIYAT-UHFFFAOYSA-N 0 1 383.909 2.058 20 0 GEADMN CCCC[C@@H](C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000736979502 599705699 /nfs/dbraw/zinc/70/56/99/599705699.db2.gz ODYBHRBHTAOUNR-LBPRGKRZSA-N 0 1 394.415 2.054 20 0 GEADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000736782314 599722318 /nfs/dbraw/zinc/72/23/18/599722318.db2.gz BOXUDXHEGWPDOW-NEPJUHHUSA-N 0 1 380.420 2.233 20 0 GEADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CCCN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736813997 599732902 /nfs/dbraw/zinc/73/29/02/599732902.db2.gz HCDXUCDTONFQRF-IYBDPMFKSA-N 0 1 377.485 2.302 20 0 GEADMN CC(C)(NC(=O)[O-])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000736327556 599740607 /nfs/dbraw/zinc/74/06/07/599740607.db2.gz FNQZJVPQKDHCTJ-UHFFFAOYSA-N 0 1 382.892 2.015 20 0 GEADMN C[N@@H+](CCN1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1)Cc1ccccc1 ZINC000737441364 599765010 /nfs/dbraw/zinc/76/50/10/599765010.db2.gz NIDIWXIGVFZLGY-UHFFFAOYSA-N 0 1 387.505 2.336 20 0 GEADMN Cc1ccccc1C[N@@H+]1CCCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000738322970 599770706 /nfs/dbraw/zinc/77/07/06/599770706.db2.gz CQOIXIAIRXAFFV-SFHVURJKSA-N 0 1 387.524 2.214 20 0 GEADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000736492286 599820204 /nfs/dbraw/zinc/82/02/04/599820204.db2.gz ZYWKNAFDOUWKKH-HUUCEWRRSA-N 0 1 377.441 2.157 20 0 GEADMN CC(C)[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000736352265 599827479 /nfs/dbraw/zinc/82/74/79/599827479.db2.gz JEORXNLVMBGLLI-GOSISDBHSA-N 0 1 376.501 2.097 20 0 GEADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1=O ZINC000737113556 599834689 /nfs/dbraw/zinc/83/46/89/599834689.db2.gz CVSIPWAABHMWQK-TZMCWYRMSA-N 0 1 393.871 2.310 20 0 GEADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000736369571 599845001 /nfs/dbraw/zinc/84/50/01/599845001.db2.gz SDTRURSHDGCPHG-QGZVFWFLSA-N 0 1 396.919 2.261 20 0 GEADMN Cc1csc2nc(C[N@@H+](CC(=O)[O-])Cc3ccc(F)c(F)c3)cc(=O)n12 ZINC000738821980 599864140 /nfs/dbraw/zinc/86/41/40/599864140.db2.gz UXIYJLZNEJZORK-UHFFFAOYSA-N 0 1 379.388 2.429 20 0 GEADMN O=C([O-])C1(NC(=O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)CCCCC1 ZINC000739273692 599867362 /nfs/dbraw/zinc/86/73/62/599867362.db2.gz MHIGRZYDRIONBK-LJQANCHMSA-N 0 1 392.471 2.475 20 0 GEADMN CC1CCC([N@@H+](CC(=O)NCCC(=O)[O-])Cc2ccc3c(c2)OCO3)CC1 ZINC000736762890 599874258 /nfs/dbraw/zinc/87/42/58/599874258.db2.gz SOZIZVWGEFYVGX-UHFFFAOYSA-N 0 1 376.453 2.387 20 0 GEADMN O=C([O-])CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000739753664 599877764 /nfs/dbraw/zinc/87/77/64/599877764.db2.gz WUSYFFNLSUATNJ-KRWDZBQOSA-N 0 1 399.447 2.189 20 0 GEADMN C[NH+]1CCN([C@@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737515908 599900080 /nfs/dbraw/zinc/90/00/80/599900080.db2.gz PQAHHFAPEOTJPV-HXUWFJFHSA-N 0 1 381.476 2.032 20 0 GEADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c2ccccc2O1 ZINC000739604965 599912150 /nfs/dbraw/zinc/91/21/50/599912150.db2.gz SEQDECXTEGCVEQ-QFBILLFUSA-N 0 1 381.432 2.172 20 0 GEADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c2ccccc2O1 ZINC000739604964 599912158 /nfs/dbraw/zinc/91/21/58/599912158.db2.gz SEQDECXTEGCVEQ-LPHOPBHVSA-N 0 1 381.432 2.172 20 0 GEADMN C[C@@H](C[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1)C(=O)[O-] ZINC000736579164 599950033 /nfs/dbraw/zinc/95/00/33/599950033.db2.gz QNAGEZWJVPIEPI-AWEZNQCLSA-N 0 1 379.888 2.174 20 0 GEADMN C[C@@H](C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1)C(=O)[O-] ZINC000736578604 599950055 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O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822991427 606116406 /nfs/dbraw/zinc/11/64/06/606116406.db2.gz CIVVLOHCHQYTSO-GASCZTMLSA-N 0 1 392.467 2.113 20 0 GEADMN CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@@H]1N1CCCC1 ZINC000445711654 649964304 /nfs/dbraw/zinc/96/43/04/649964304.db2.gz JUNVUIBUNFLDAO-UONOGXRCSA-N 0 1 380.457 2.304 20 0 GEADMN C[C@H](NC(=O)Nc1cnn(-c2ccncc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820380177 606161473 /nfs/dbraw/zinc/16/14/73/606161473.db2.gz MLZTZMREICONMN-LBPRGKRZSA-N 0 1 375.396 2.330 20 0 GEADMN COCCCOc1cccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC000821688295 606203348 /nfs/dbraw/zinc/20/33/48/606203348.db2.gz FPIGHRTVOSVXDE-UHFFFAOYSA-N 0 1 389.437 2.083 20 0 GEADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000822237147 606266774 /nfs/dbraw/zinc/26/67/74/606266774.db2.gz HKGBIIQWIMEWEA-UHFFFAOYSA-N 0 1 383.481 2.304 20 0 GEADMN O=C(NCc1cnc[nH]1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000823229537 606279439 /nfs/dbraw/zinc/27/94/39/606279439.db2.gz WUJKVXVTAAOYNK-UHFFFAOYSA-N 0 1 375.392 2.099 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000822535638 606283736 /nfs/dbraw/zinc/28/37/36/606283736.db2.gz ZBVLSRVIZQSJLC-CYBMUJFWSA-N 0 1 385.472 2.265 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000822535638 606283738 /nfs/dbraw/zinc/28/37/38/606283738.db2.gz ZBVLSRVIZQSJLC-CYBMUJFWSA-N 0 1 385.472 2.265 20 0 GEADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000823060452 606294657 /nfs/dbraw/zinc/29/46/57/606294657.db2.gz CFHOIKQYSFJCAL-UHFFFAOYSA-N 0 1 383.481 2.229 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1O)C(=O)c1ccc(Br)cc1 ZINC000823289107 606295969 /nfs/dbraw/zinc/29/59/69/606295969.db2.gz BKWHCJBXGWHFAP-UHFFFAOYSA-N 0 1 388.181 2.156 20 0 GEADMN CN(CCc1ccc(F)cc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821604847 606316711 /nfs/dbraw/zinc/31/67/11/606316711.db2.gz JRXACCIFXGTTCL-OAHLLOKOSA-N 0 1 386.456 2.347 20 0 GEADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)N(C)CC(C)(C)O ZINC000819876647 606374934 /nfs/dbraw/zinc/37/49/34/606374934.db2.gz ICQFTEUAJCYFBQ-NSHDSACASA-N 0 1 392.529 2.227 20 0 GEADMN Fc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCOCC2)c1 ZINC000822787321 606413279 /nfs/dbraw/zinc/41/32/79/606413279.db2.gz YGZXNDCJNCMMSM-MRXNPFEDSA-N 0 1 388.472 2.230 20 0 GEADMN Fc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCOCC2)c1 ZINC000822787321 606413281 /nfs/dbraw/zinc/41/32/81/606413281.db2.gz YGZXNDCJNCMMSM-MRXNPFEDSA-N 0 1 388.472 2.230 20 0 GEADMN C[C@@H]1CCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000820711241 606436371 /nfs/dbraw/zinc/43/63/71/606436371.db2.gz VPQVRGCEZSZZMQ-GFCCVEGCSA-N 0 1 397.439 2.342 20 0 GEADMN CCC1(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820962606 606443089 /nfs/dbraw/zinc/44/30/89/606443089.db2.gz VMDXMUMRDAPXMR-UHFFFAOYSA-N 0 1 383.500 2.274 20 0 GEADMN OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823713710 606469750 /nfs/dbraw/zinc/46/97/50/606469750.db2.gz INHWBMXHMFMEDA-GOEBONIOSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823713710 606469751 /nfs/dbraw/zinc/46/97/51/606469751.db2.gz INHWBMXHMFMEDA-GOEBONIOSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823713710 606469752 /nfs/dbraw/zinc/46/97/52/606469752.db2.gz INHWBMXHMFMEDA-GOEBONIOSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823713710 606469753 /nfs/dbraw/zinc/46/97/53/606469753.db2.gz INHWBMXHMFMEDA-GOEBONIOSA-N 0 1 399.886 2.210 20 0 GEADMN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821114593 606487263 /nfs/dbraw/zinc/48/72/63/606487263.db2.gz YRVAONYTABPMGC-CQSZACIVSA-N 0 1 394.426 2.206 20 0 GEADMN CN(C)[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000821579821 606580683 /nfs/dbraw/zinc/58/06/83/606580683.db2.gz PHBQBEDHZHYOLQ-QGZVFWFLSA-N 0 1 384.871 2.482 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000822534879 606586327 /nfs/dbraw/zinc/58/63/27/606586327.db2.gz AVPQKSKDPYRVCV-UONOGXRCSA-N 0 1 383.456 2.161 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000822534879 606586329 /nfs/dbraw/zinc/58/63/29/606586329.db2.gz AVPQKSKDPYRVCV-UONOGXRCSA-N 0 1 383.456 2.161 20 0 GEADMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821572110 606616312 /nfs/dbraw/zinc/61/63/12/606616312.db2.gz RUKWCEBHDUXNGY-AWEZNQCLSA-N 0 1 376.436 2.447 20 0 GEADMN NC(=O)[C@@H](NC[C@H]1SCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850515 606622404 /nfs/dbraw/zinc/62/24/04/606622404.db2.gz IUQMOJGEENZCMM-SJORKVTESA-N 0 1 380.477 2.013 20 0 GEADMN C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C1(N2CCOCC2)CCCC1 ZINC000820321672 606639283 /nfs/dbraw/zinc/63/92/83/606639283.db2.gz KPAOXUNXBTWBOX-QWGSZXSUSA-N 0 1 396.495 2.030 20 0 GEADMN O=C(NCc1c[nH]nn1)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823229202 606658730 /nfs/dbraw/zinc/65/87/30/606658730.db2.gz GIGXUBURYLVNAQ-UHFFFAOYSA-N 0 1 377.368 2.099 20 0 GEADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823155640 606663969 /nfs/dbraw/zinc/66/39/69/606663969.db2.gz VQAVUFJYZMHDMG-AWEZNQCLSA-N 0 1 384.390 2.149 20 0 GEADMN CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002217 606685612 /nfs/dbraw/zinc/68/56/12/606685612.db2.gz VBSFOBUPEOPYKW-CHWSQXEVSA-N 0 1 376.411 2.234 20 0 GEADMN CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821456565 606697897 /nfs/dbraw/zinc/69/78/97/606697897.db2.gz PYKPPNKMCCLODY-QWRGUYRKSA-N 0 1 380.499 2.093 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@](C)(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821971264 606698002 /nfs/dbraw/zinc/69/80/02/606698002.db2.gz ZWTHHCXVQBGCFJ-IBGZPJMESA-N 0 1 396.476 2.493 20 0 GEADMN O=C(CN1CC[C@H](c2ccc(F)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822992662 606717024 /nfs/dbraw/zinc/71/70/24/606717024.db2.gz LOFZNNFTHWPDEF-KRWDZBQOSA-N 0 1 380.427 2.112 20 0 GEADMN COCCOc1cc(C)ccc1CNCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821692842 606729462 /nfs/dbraw/zinc/72/94/62/606729462.db2.gz FOXYJRRPBYCDJH-UHFFFAOYSA-N 0 1 383.452 2.499 20 0 GEADMN C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820760637 606750136 /nfs/dbraw/zinc/75/01/36/606750136.db2.gz RITVBOGCHZATFQ-HUUCEWRRSA-N 0 1 391.479 2.148 20 0 GEADMN C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820760637 606750138 /nfs/dbraw/zinc/75/01/38/606750138.db2.gz RITVBOGCHZATFQ-HUUCEWRRSA-N 0 1 391.479 2.148 20 0 GEADMN Cc1ccc(F)cc1S(=O)(=O)Nc1cc(N(C)C)ccc1-c1nn[nH]n1 ZINC000822241010 606752649 /nfs/dbraw/zinc/75/26/49/606752649.db2.gz ILGJULRBJAAXDL-UHFFFAOYSA-N 0 1 376.417 2.181 20 0 GEADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821896871 606769485 /nfs/dbraw/zinc/76/94/85/606769485.db2.gz CXYNIYFHPDTJTC-BBRMVZONSA-N 0 1 378.436 2.331 20 0 GEADMN CC(C)(C)C[C@H](NC(=O)Cn1cccc(-c2nn[nH]n2)c1=O)c1ccc(F)cc1 ZINC000819907766 606823299 /nfs/dbraw/zinc/82/32/99/606823299.db2.gz RQUAJAJQOQYGHE-INIZCTEOSA-N 0 1 398.442 2.461 20 0 GEADMN CN(C)C1(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)nc2)CCC1 ZINC000821581172 606834784 /nfs/dbraw/zinc/83/47/84/606834784.db2.gz DZBCFSPBTXPHNF-UHFFFAOYSA-N 0 1 379.424 2.477 20 0 GEADMN O=C(CCN1CC(c2nc3ccccc3[nH]2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822963886 606847076 /nfs/dbraw/zinc/84/70/76/606847076.db2.gz AJNFPQQMAYDZBN-UHFFFAOYSA-N 0 1 388.435 2.171 20 0 GEADMN c1ccc2c(c1)nc(N[C@H]1CCCC[C@H]1N1CCOCC1)cc2-c1nn[nH]n1 ZINC000823792583 606877955 /nfs/dbraw/zinc/87/79/55/606877955.db2.gz YIWFTHYMWULNDS-ZWKOTPCHSA-N 0 1 379.468 2.470 20 0 GEADMN O=C(CCN1CCN(c2cccs2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969570 606882436 /nfs/dbraw/zinc/88/24/36/606882436.db2.gz RHKUOAHHBXCXQJ-UHFFFAOYSA-N 0 1 383.481 2.079 20 0 GEADMN C[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Cc1cccs1 ZINC000820275730 606893024 /nfs/dbraw/zinc/89/30/24/606893024.db2.gz RCWBFDFQWHMCJE-SECBINFHSA-N 0 1 399.448 2.364 20 0 GEADMN C[C@H](c1cccnc1)N1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820570378 606902365 /nfs/dbraw/zinc/90/23/65/606902365.db2.gz IPZPCGYDRKSBGO-QGZVFWFLSA-N 0 1 393.495 2.409 20 0 GEADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821600692 606926650 /nfs/dbraw/zinc/92/66/50/606926650.db2.gz YYEGMPXWRLMLIT-LJQANCHMSA-N 0 1 392.463 2.373 20 0 GEADMN O=C(Cc1[nH]nc2ccccc21)OCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823118997 606947089 /nfs/dbraw/zinc/94/70/89/606947089.db2.gz ZKPTYSRNGLQJIA-UHFFFAOYSA-N 0 1 378.392 2.298 20 0 GEADMN CC=C(C=CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)CC ZINC000820825867 606995317 /nfs/dbraw/zinc/99/53/17/606995317.db2.gz GCQANMVVAVXUEE-OZIKREMFSA-N 0 1 383.456 2.293 20 0 GEADMN CC(C)C[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820067321 607023145 /nfs/dbraw/zinc/02/31/45/607023145.db2.gz ICNIHYOLGSUCIV-RHSMWYFYSA-N 0 1 382.468 2.257 20 0 GEADMN COc1cccc(OCCN2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000821877718 607038373 /nfs/dbraw/zinc/03/83/73/607038373.db2.gz RMBLNBWCNJBUOU-UHFFFAOYSA-N 0 1 398.442 2.215 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822535356 607071794 /nfs/dbraw/zinc/07/17/94/607071794.db2.gz OJIAQIWNBFCRGB-CABCVRRESA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822535356 607071796 /nfs/dbraw/zinc/07/17/96/607071796.db2.gz OJIAQIWNBFCRGB-CABCVRRESA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822535356 607071798 /nfs/dbraw/zinc/07/17/98/607071798.db2.gz OJIAQIWNBFCRGB-CABCVRRESA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822535356 607071800 /nfs/dbraw/zinc/07/18/00/607071800.db2.gz OJIAQIWNBFCRGB-CABCVRRESA-N 0 1 395.467 2.115 20 0 GEADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820958665 607106722 /nfs/dbraw/zinc/10/67/22/607106722.db2.gz WXQWGPOKYWYXQN-DLBZAZTESA-N 0 1 386.500 2.008 20 0 GEADMN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997083 607107449 /nfs/dbraw/zinc/10/74/49/607107449.db2.gz MTXIIPODXRBACR-XIKOKIGWSA-N 0 1 390.875 2.086 20 0 GEADMN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)C1 ZINC000820697638 607211028 /nfs/dbraw/zinc/21/10/28/607211028.db2.gz JUDWWHSLHMAGCM-XJKSGUPXSA-N 0 1 396.455 2.192 20 0 GEADMN CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821021734 607213682 /nfs/dbraw/zinc/21/36/82/607213682.db2.gz ONADJZIOLMUGAA-INIZCTEOSA-N 0 1 382.472 2.108 20 0 GEADMN CCN1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)C[C@@H]1C ZINC000825460503 607825900 /nfs/dbraw/zinc/82/59/00/607825900.db2.gz ZCQCAQWEFJFMFR-NSHDSACASA-N 0 1 387.513 2.027 20 0 GEADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824899897 607828647 /nfs/dbraw/zinc/82/86/47/607828647.db2.gz QAUJJTKLPBDESF-CKEIUWERSA-N 0 1 375.498 2.293 20 0 GEADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(c2ccccn2)CC1 ZINC000824045408 607830341 /nfs/dbraw/zinc/83/03/41/607830341.db2.gz MJGLNHAMRRTGHO-CQSZACIVSA-N 0 1 377.452 2.468 20 0 GEADMN COc1ccc(C[C@](C)([NH3+])CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000826190493 607838201 /nfs/dbraw/zinc/83/82/01/607838201.db2.gz CWWRIQFECXBWOO-FQEVSTJZSA-N 0 1 390.451 2.191 20 0 GEADMN COc1ccc(C[C@](C)([NH3+])CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000826190493 607838202 /nfs/dbraw/zinc/83/82/02/607838202.db2.gz CWWRIQFECXBWOO-FQEVSTJZSA-N 0 1 390.451 2.191 20 0 GEADMN O=C(CN1CC[C@@H](C2CCOCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410601 607859372 /nfs/dbraw/zinc/85/93/72/607859372.db2.gz RWGZQTXUIRHFMV-CYBMUJFWSA-N 0 1 390.875 2.207 20 0 GEADMN CN1CC[C@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H]1c1ccccc1 ZINC000826029545 608007081 /nfs/dbraw/zinc/00/70/81/608007081.db2.gz SXRXRZHMPHVPCO-RDJZCZTQSA-N 0 1 384.390 2.320 20 0 GEADMN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000824754573 608011987 /nfs/dbraw/zinc/01/19/87/608011987.db2.gz IOVWNALPZZRLDT-GJZGRUSLSA-N 0 1 397.435 2.435 20 0 GEADMN Cn1c2ccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2nc1C1CC1 ZINC000826354897 608017611 /nfs/dbraw/zinc/01/76/11/608017611.db2.gz ADRNRADXVPUWIS-UHFFFAOYSA-N 0 1 395.448 2.432 20 0 GEADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000825958166 608032023 /nfs/dbraw/zinc/03/20/23/608032023.db2.gz NKHZIOXCMFOSEX-IBGZPJMESA-N 0 1 376.464 2.490 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1-c1nn[nH]n1 ZINC000826231221 608200883 /nfs/dbraw/zinc/20/08/83/608200883.db2.gz CAFUFHJGOZPLHA-WDEREUQCSA-N 0 1 387.513 2.026 20 0 GEADMN CCC[C@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CCN1CCOC ZINC000825251895 608272231 /nfs/dbraw/zinc/27/22/31/608272231.db2.gz FVXFXGLNSLBTQI-INIZCTEOSA-N 0 1 387.488 2.140 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000826332346 608313606 /nfs/dbraw/zinc/31/36/06/608313606.db2.gz QZJGRRZJYKTLDZ-OAHLLOKOSA-N 0 1 389.467 2.084 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000826332346 608313608 /nfs/dbraw/zinc/31/36/08/608313608.db2.gz QZJGRRZJYKTLDZ-OAHLLOKOSA-N 0 1 389.467 2.084 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000826332346 608313610 /nfs/dbraw/zinc/31/36/10/608313610.db2.gz QZJGRRZJYKTLDZ-OAHLLOKOSA-N 0 1 389.467 2.084 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000826332346 608313613 /nfs/dbraw/zinc/31/36/13/608313613.db2.gz QZJGRRZJYKTLDZ-OAHLLOKOSA-N 0 1 389.467 2.084 20 0 GEADMN CCN1C[C@H](C)N(C(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C[C@@H]1C ZINC000825444270 608314890 /nfs/dbraw/zinc/31/48/90/608314890.db2.gz LDSALYWDWGUANI-RLFYNMQTSA-N 0 1 386.500 2.211 20 0 GEADMN CCc1cc(CNc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)n[nH]1 ZINC000825700821 608378827 /nfs/dbraw/zinc/37/88/27/608378827.db2.gz UKLQXEOHAUROIY-UHFFFAOYSA-N 0 1 386.366 2.336 20 0 GEADMN CN(Cc1cccc(-c2nn[nH]n2)c1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825977160 608399000 /nfs/dbraw/zinc/39/90/00/608399000.db2.gz ZDVNWGJOKGGAHV-CYBMUJFWSA-N 0 1 376.436 2.447 20 0 GEADMN Fc1c(CN[C@H](CN2CCOCC2)c2ccccc2)cccc1-c1nn[nH]n1 ZINC000826371222 608430005 /nfs/dbraw/zinc/43/00/05/608430005.db2.gz XJMFOLOCXKFIDW-GOSISDBHSA-N 0 1 382.443 2.169 20 0 GEADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000824004659 608432926 /nfs/dbraw/zinc/43/29/26/608432926.db2.gz BXDMWJSIDTYNRU-NSHDSACASA-N 0 1 397.439 2.324 20 0 GEADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824004978 608432935 /nfs/dbraw/zinc/43/29/35/608432935.db2.gz IOULOXYAXQDUQF-GFCCVEGCSA-N 0 1 379.424 2.114 20 0 GEADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000824005613 608432993 /nfs/dbraw/zinc/43/29/93/608432993.db2.gz ZJAGMSJEMHXPKO-SNVBAGLBSA-N 0 1 385.453 2.176 20 0 GEADMN C[C@@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562061 608488038 /nfs/dbraw/zinc/48/80/38/608488038.db2.gz CJTVQIQZAQAOHB-SNVBAGLBSA-N 0 1 386.485 2.305 20 0 GEADMN CC(C)N(CC(N)=O)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824288802 608499936 /nfs/dbraw/zinc/49/99/36/608499936.db2.gz PBYZMSHLYRKNCQ-UHFFFAOYSA-N 0 1 380.452 2.141 20 0 GEADMN c1cnc(N2CCOCC2)c(CN[C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826525743 608501055 /nfs/dbraw/zinc/50/10/55/608501055.db2.gz XIXIPGFNSWYXEW-IBGZPJMESA-N 0 1 391.479 2.266 20 0 GEADMN CCCCCNC(=O)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825275992 608529945 /nfs/dbraw/zinc/52/99/45/608529945.db2.gz LGQWAGHOUTZFCV-UHFFFAOYSA-N 0 1 396.499 2.033 20 0 GEADMN Cc1cccc(C(C)(C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826296133 608536106 /nfs/dbraw/zinc/53/61/06/608536106.db2.gz KHRPHJYQANWCGD-UHFFFAOYSA-N 0 1 385.493 2.474 20 0 GEADMN CC(C)(NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000824166858 608549614 /nfs/dbraw/zinc/54/96/14/608549614.db2.gz LLILARBJQLNLBL-UHFFFAOYSA-N 0 1 386.406 2.286 20 0 GEADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccccc1CN1CCC(O)CC1 ZINC000826423349 608560796 /nfs/dbraw/zinc/56/07/96/608560796.db2.gz KYSDEMIJXAZEKL-UHFFFAOYSA-N 0 1 392.463 2.005 20 0 GEADMN CCCCN(CCCO)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825285104 608562240 /nfs/dbraw/zinc/56/22/40/608562240.db2.gz JQCDLLMHUZPZQE-GFCCVEGCSA-N 0 1 392.529 2.228 20 0 GEADMN CCC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CCN1Cc1ccccc1 ZINC000825254237 608591103 /nfs/dbraw/zinc/59/11/03/608591103.db2.gz RNJCKLXLCMYMEI-GOSISDBHSA-N 0 1 393.495 2.332 20 0 GEADMN Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000826288219 608655068 /nfs/dbraw/zinc/65/50/68/608655068.db2.gz WFHBCWAIPNQAOF-UHFFFAOYSA-N 0 1 380.452 2.297 20 0 GEADMN O=S(=O)(NCCCc1cccs1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490784 608757751 /nfs/dbraw/zinc/75/77/51/608757751.db2.gz HQDKHNMVBDTBGG-UHFFFAOYSA-N 0 1 385.421 2.118 20 0 GEADMN C/C(=C\c1ccccc1)C[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000823943087 608838222 /nfs/dbraw/zinc/83/82/22/608838222.db2.gz MRWVGNDQPPDJSA-STTHAQSSSA-N 0 1 376.468 2.271 20 0 GEADMN C/C(=C\c1ccccc1)C[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000823943087 608838226 /nfs/dbraw/zinc/83/82/26/608838226.db2.gz MRWVGNDQPPDJSA-STTHAQSSSA-N 0 1 376.468 2.271 20 0 GEADMN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824098851 608842120 /nfs/dbraw/zinc/84/21/20/608842120.db2.gz BIRIEXYNEQFOBY-CQSZACIVSA-N 0 1 397.483 2.458 20 0 GEADMN C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824611784 609327576 /nfs/dbraw/zinc/32/75/76/609327576.db2.gz DXUWSUMPBICBNN-GFCCVEGCSA-N 0 1 389.456 2.401 20 0 GEADMN CCNC(=O)COc1cccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825471648 609328253 /nfs/dbraw/zinc/32/82/53/609328253.db2.gz ZTXWOMZGEPYPPB-ZDUSSCGKSA-N 0 1 398.442 2.372 20 0 GEADMN COc1cccc(C(=O)NCCN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826214114 609331009 /nfs/dbraw/zinc/33/10/09/609331009.db2.gz ALZYDWQWGHEAMG-LBPRGKRZSA-N 0 1 384.415 2.095 20 0 GEADMN CC(C)(C)OC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000824114661 609434494 /nfs/dbraw/zinc/43/44/94/609434494.db2.gz ZPCLVMOBVRYPBO-UHFFFAOYSA-N 0 1 390.831 2.360 20 0 GEADMN CCc1ncc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825750034 609599612 /nfs/dbraw/zinc/59/96/12/609599612.db2.gz IWEMJZQZOJZVAW-OAHLLOKOSA-N 0 1 383.481 2.171 20 0 GEADMN COC[C@@H](O)CNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449155528 650033527 /nfs/dbraw/zinc/03/35/27/650033527.db2.gz LUBJZHFMQMXWMT-LBPRGKRZSA-N 0 1 388.251 2.063 20 0 GEADMN COC(=O)CN(CCN1CCN(C)CC1)Cc1cc(Cl)sc1Cl ZINC000449301819 650038130 /nfs/dbraw/zinc/03/81/30/650038130.db2.gz IFZQZYNEYOIRCQ-UHFFFAOYSA-N 0 1 380.341 2.277 20 0 GEADMN Cc1cc(Br)cn2c(CN(C)[C@H]3CCN4CCO[C@H]3C4)cnc12 ZINC000449367055 650039152 /nfs/dbraw/zinc/03/91/52/650039152.db2.gz YTZJIADTBBCFJI-HOTGVXAUSA-N 0 1 379.302 2.310 20 0 GEADMN CCc1oc(CNCCn2cc(Br)ccc2=O)cc1C(=O)OC ZINC000449376888 650039402 /nfs/dbraw/zinc/03/94/02/650039402.db2.gz NBKCAQFVNWAHFI-UHFFFAOYSA-N 0 1 383.242 2.343 20 0 GEADMN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(OC)cc1Br ZINC000449442682 650041034 /nfs/dbraw/zinc/04/10/34/650041034.db2.gz LZTFHOUUXGSGDF-WDEREUQCSA-N 0 1 379.320 2.436 20 0 GEADMN CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(OC)cc1Br ZINC000449442679 650041058 /nfs/dbraw/zinc/04/10/58/650041058.db2.gz LZTFHOUUXGSGDF-GHMZBOCLSA-N 0 1 379.320 2.436 20 0 GEADMN C[C@H]1CN(CCO)CCN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449788238 650050096 /nfs/dbraw/zinc/05/00/96/650050096.db2.gz XJEGWDYAEBQOPY-AWEZNQCLSA-N 0 1 379.302 2.133 20 0 GEADMN CC(C)CN1CCO[C@H](CNc2ccc(I)cn2)C1 ZINC000450224086 650062438 /nfs/dbraw/zinc/06/24/38/650062438.db2.gz RUEJJCYWXRUGCG-CYBMUJFWSA-N 0 1 375.254 2.455 20 0 GEADMN C[C@@H]1CN(C2CCN(c3ccc(I)cn3)CC2)CCO1 ZINC000450262226 650063208 /nfs/dbraw/zinc/06/32/08/650063208.db2.gz RJVRJNWKIXFRAT-GFCCVEGCSA-N 0 1 387.265 2.376 20 0 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532250481 /nfs/dbraw/zinc/25/04/81/532250481.db2.gz AJIKEBKBEOWYRF-LBPRGKRZSA-N 0 1 375.230 2.153 20 0 GEADMN CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cccnc3Br)C2)CC1 ZINC000179626403 532238850 /nfs/dbraw/zinc/23/88/50/532238850.db2.gz OFTZGSNJCHYQBJ-AWEZNQCLSA-N 0 1 381.318 2.086 20 0 GEADMN CN1CCN([C@H]2CCCCN(C(=O)c3cccnc3Br)C2)CC1 ZINC000179626403 532238852 /nfs/dbraw/zinc/23/88/52/532238852.db2.gz OFTZGSNJCHYQBJ-AWEZNQCLSA-N 0 1 381.318 2.086 20 0 GEADMN Cc1nc(S(=O)(=O)NCC[S@](=O)C(C)(C)C)sc1Br ZINC000180077501 532255791 /nfs/dbraw/zinc/25/57/91/532255791.db2.gz UABPPRBPJVZBOJ-SFHVURJKSA-N 0 1 389.362 2.040 20 0 GEADMN Cc1nc(S(=O)(=O)NC[C@H](C)C(=O)OC(C)C)sc1Br ZINC000180092454 532256884 /nfs/dbraw/zinc/25/68/84/532256884.db2.gz QUNGTTFDALZRFS-ZETCQYMHSA-N 0 1 385.305 2.080 20 0 GEADMN CC[C@@H](CO)N1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180203308 532261679 /nfs/dbraw/zinc/26/16/79/532261679.db2.gz ZPIFYFUPPCJALX-JKSUJKDBSA-N 0 1 375.296 2.332 20 0 GEADMN CN(C)C1CN(C(=O)CCc2nnc(-c3cc(F)ccc3Br)o2)C1 ZINC000134997155 532265902 /nfs/dbraw/zinc/26/59/02/532265902.db2.gz AMTPPIUFZWMYKH-UHFFFAOYSA-N 0 1 397.248 2.343 20 0 GEADMN CC1CCN(CC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000135657610 532277910 /nfs/dbraw/zinc/27/79/10/532277910.db2.gz PNILGVKBAOCYDF-UHFFFAOYSA-N 0 1 396.329 2.417 20 0 GEADMN O=C(CCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000135686493 532278792 /nfs/dbraw/zinc/27/87/92/532278792.db2.gz LSEGVTWCXPPFCN-MRXNPFEDSA-N 0 1 385.917 2.169 20 0 GEADMN O=C(CCN1CC[C@H](S(=O)(=O)N2CCCC2)C1)Nc1ccccc1Cl ZINC000135687731 532278922 /nfs/dbraw/zinc/27/89/22/532278922.db2.gz DJQFHGFNXBYNMJ-AWEZNQCLSA-N 0 1 385.917 2.169 20 0 GEADMN O=S(=O)(CCN[C@H]1CCSc2ccc(F)cc21)NC[C@H]1CCCCO1 ZINC000180749805 532279434 /nfs/dbraw/zinc/27/94/34/532279434.db2.gz MOQKOVFAFHNBRY-ZBFHGGJFSA-N 0 1 388.530 2.441 20 0 GEADMN Cc1nnc(SCC(=O)N[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)[nH]1 ZINC000181286249 532295283 /nfs/dbraw/zinc/29/52/83/532295283.db2.gz DUWWAEYOOSVKOI-CYBMUJFWSA-N 0 1 378.845 2.456 20 0 GEADMN Cc1n[nH]c(SCC(=O)N[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)n1 ZINC000181286249 532295285 /nfs/dbraw/zinc/29/52/85/532295285.db2.gz DUWWAEYOOSVKOI-CYBMUJFWSA-N 0 1 378.845 2.456 20 0 GEADMN O=C(c1ccncc1I)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181388896 532296922 /nfs/dbraw/zinc/29/69/22/532296922.db2.gz ZWOJDKUXOPBACO-LLVKDONJSA-N 0 1 383.193 2.172 20 0 GEADMN C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1nc(-c2ccc(F)cc2)no1 ZINC000146525823 532297996 /nfs/dbraw/zinc/29/79/96/532297996.db2.gz CLDGTTNQBCLPQE-MRVPVSSYSA-N 0 1 385.808 2.302 20 0 GEADMN O=S(=O)(NCc1ccccc1CN1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000181475131 532299443 /nfs/dbraw/zinc/29/94/43/532299443.db2.gz ZCLDDIYWFUOXOT-KRWDZBQOSA-N 0 1 380.897 2.385 20 0 GEADMN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1sccc1Br ZINC000150872272 532303506 /nfs/dbraw/zinc/30/35/06/532303506.db2.gz PTCMYFKZMLLENL-SNVBAGLBSA-N 0 1 385.349 2.146 20 0 GEADMN C[C@H](CN(C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1nn[nH]n1 ZINC000183404523 532324827 /nfs/dbraw/zinc/32/48/27/532324827.db2.gz XYLSCOPDZGCEIJ-SSDOTTSWSA-N 0 1 381.209 2.458 20 0 GEADMN CCSc1ccc([C@H](C)NCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000182131513 532309405 /nfs/dbraw/zinc/30/94/05/532309405.db2.gz OEMCEKUTRXXYOU-HOCLYGCPSA-N 0 1 384.567 2.485 20 0 GEADMN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000182420125 532312684 /nfs/dbraw/zinc/31/26/84/532312684.db2.gz OLGZYLIDNABSFH-UHIISALHSA-N 0 1 378.416 2.048 20 0 GEADMN C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1nnc[nH]1 ZINC000182431760 532313338 /nfs/dbraw/zinc/31/33/38/532313338.db2.gz RXZHWKGSJWOVSJ-NEPJUHHUSA-N 0 1 393.289 2.454 20 0 GEADMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000185164729 532337020 /nfs/dbraw/zinc/33/70/20/532337020.db2.gz SDQASVPFGMEHFE-RNCFNFMXSA-N 0 1 378.853 2.138 20 0 GEADMN Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000185175240 532337073 /nfs/dbraw/zinc/33/70/73/532337073.db2.gz LKKYXWQQNSCPSN-CYBMUJFWSA-N 0 1 383.857 2.396 20 0 GEADMN C[C@@H](CCN1CCN(C)CC1)NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000185335240 532337704 /nfs/dbraw/zinc/33/77/04/532337704.db2.gz GMFRVYLJJYBQFM-ZDUSSCGKSA-N 0 1 394.368 2.439 20 0 GEADMN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCNC(=O)c1ccccc1Cl ZINC000185889927 532339033 /nfs/dbraw/zinc/33/90/33/532339033.db2.gz STFFUUYXJWAYLR-MRXNPFEDSA-N 0 1 380.275 2.409 20 0 GEADMN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186603812 532341386 /nfs/dbraw/zinc/34/13/86/532341386.db2.gz DRIGZWGQBDCWBS-UHFFFAOYSA-N 0 1 391.297 2.307 20 0 GEADMN Cn1cnc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)c1Cl ZINC000187120406 532343328 /nfs/dbraw/zinc/34/33/28/532343328.db2.gz KVKNWXQYLULNBU-UHFFFAOYSA-N 0 1 386.930 2.423 20 0 GEADMN C[C@H](NC(=O)c1ncc(Br)cc1Br)c1nnc[nH]1 ZINC000183830426 532329200 /nfs/dbraw/zinc/32/92/00/532329200.db2.gz WADSNPYJLPFBSG-YFKPBYRVSA-N 0 1 375.024 2.216 20 0 GEADMN O=C1[C@@H](N[C@H](CO)c2cccc(Br)c2)CCN1CC(F)(F)F ZINC000183888276 532329848 /nfs/dbraw/zinc/32/98/48/532329848.db2.gz RRPZTXLCADAPEV-NWDGAFQWSA-N 0 1 381.192 2.235 20 0 GEADMN COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCN1CCCCC1 ZINC000184639963 532334037 /nfs/dbraw/zinc/33/40/37/532334037.db2.gz ZWBHQQABRANZNK-UHFFFAOYSA-N 0 1 398.301 2.307 20 0 GEADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1F ZINC000184873670 532335140 /nfs/dbraw/zinc/33/51/40/532335140.db2.gz TXMZEVSQJXGDAI-GFCCVEGCSA-N 0 1 386.470 2.475 20 0 GEADMN CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000184983389 532336344 /nfs/dbraw/zinc/33/63/44/532336344.db2.gz TZHBWXUDNKEESI-JTQLQIEISA-N 0 1 382.404 2.412 20 0 GEADMN O=C(Nc1nc(SCCO)n[nH]1)C1(c2ccccc2Br)CC1 ZINC000188158693 532347053 /nfs/dbraw/zinc/34/70/53/532347053.db2.gz DPKUMXOBZHKDCM-UHFFFAOYSA-N 0 1 383.271 2.322 20 0 GEADMN O=C1NCCN1C1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000188853759 532349873 /nfs/dbraw/zinc/34/98/73/532349873.db2.gz GNMLNRJZSYTIFN-UHFFFAOYSA-N 0 1 386.265 2.457 20 0 GEADMN C[C@H]1C(=O)NCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000188920410 532350185 /nfs/dbraw/zinc/35/01/85/532350185.db2.gz KGUHTQNGTZDDLL-JTQLQIEISA-N 0 1 377.242 2.190 20 0 GEADMN CCN(CCCN(C)C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000188917352 532350318 /nfs/dbraw/zinc/35/03/18/532350318.db2.gz KKXFDRZTSDEKNJ-UHFFFAOYSA-N 0 1 375.922 2.097 20 0 GEADMN C[C@@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000189342123 532351765 /nfs/dbraw/zinc/35/17/65/532351765.db2.gz FBWPBYAYMHSMCY-CYBMUJFWSA-N 0 1 385.302 2.109 20 0 GEADMN COCCn1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000189367344 532351969 /nfs/dbraw/zinc/35/19/69/532351969.db2.gz NDGGKSAEVRUZRF-UHFFFAOYSA-N 0 1 391.229 2.329 20 0 GEADMN C[C@H]1CN(CC2CCN(S(=O)(=O)CCc3cccs3)CC2)C[C@H](C)O1 ZINC000189578650 532352861 /nfs/dbraw/zinc/35/28/61/532352861.db2.gz FHZPUYNSBGNYKF-HOTGVXAUSA-N 0 1 386.583 2.442 20 0 GEADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000189577481 532352890 /nfs/dbraw/zinc/35/28/90/532352890.db2.gz WMGMJPAPCDLRKG-UHFFFAOYSA-N 0 1 390.245 2.476 20 0 GEADMN O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CCN2CCC1CC2 ZINC000189804062 532353750 /nfs/dbraw/zinc/35/37/50/532353750.db2.gz WSRGIZBONJKJTK-UHFFFAOYSA-N 0 1 386.677 2.348 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CCN1CC(C)(C)O ZINC000189886464 532353984 /nfs/dbraw/zinc/35/39/84/532353984.db2.gz BAHIUXAGUVODSV-ZDUSSCGKSA-N 0 1 384.318 2.165 20 0 GEADMN CCN1CCCN(CCC(=O)Nc2ccc(Br)cc2F)CC1=O ZINC000190164392 532355099 /nfs/dbraw/zinc/35/50/99/532355099.db2.gz LMLMLSPBJHQDOT-UHFFFAOYSA-N 0 1 386.265 2.471 20 0 GEADMN C[C@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CCN1CCO ZINC000190250094 532355506 /nfs/dbraw/zinc/35/55/06/532355506.db2.gz CLFJPCOKJPLPLE-AWEZNQCLSA-N 0 1 379.302 2.133 20 0 GEADMN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190496856 532356434 /nfs/dbraw/zinc/35/64/34/532356434.db2.gz SSMJXGJVXUEYQB-LLVKDONJSA-N 0 1 392.258 2.298 20 0 GEADMN O=C(NCCN1CCCCC1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190756716 532357850 /nfs/dbraw/zinc/35/78/50/532357850.db2.gz OORSAWYWGXSEGO-UHFFFAOYSA-N 0 1 390.228 2.268 20 0 GEADMN C[C@H](NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)c1nnc[nH]1 ZINC000190993031 532358989 /nfs/dbraw/zinc/35/89/89/532358989.db2.gz LLOJQXJDVYBMNR-QMMMGPOBSA-N 0 1 376.829 2.398 20 0 GEADMN CN(Cc1nc(-c2cccc(Br)c2)no1)C1(CO)CCOCC1 ZINC000190975511 532359044 /nfs/dbraw/zinc/35/90/44/532359044.db2.gz LNWJDROCZMXBCQ-UHFFFAOYSA-N 0 1 382.258 2.472 20 0 GEADMN O=C(NCCCn1cccn1)c1n[nH]c2ccc(I)cc21 ZINC000463425797 532372910 /nfs/dbraw/zinc/37/29/10/532372910.db2.gz VXEDUZSQPBGPET-UHFFFAOYSA-N 0 1 395.204 2.184 20 0 GEADMN CC(C)(C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)c1cnc[nH]1 ZINC000621973763 532374943 /nfs/dbraw/zinc/37/49/43/532374943.db2.gz XIDVLXMQOFXLOC-ZDUSSCGKSA-N 0 1 380.286 2.417 20 0 GEADMN CC(C)(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cnc[nH]1 ZINC000621977136 532375789 /nfs/dbraw/zinc/37/57/89/532375789.db2.gz XIAOBOMUGAXHAA-ZDUSSCGKSA-N 0 1 391.269 2.372 20 0 GEADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[C@H](COC)C1 ZINC000294720343 532377668 /nfs/dbraw/zinc/37/76/68/532377668.db2.gz GCMPXOZIJUITOJ-OLZOCXBDSA-N 0 1 385.302 2.431 20 0 GEADMN Cc1ccc([C@@H]2C[C@@H]2C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000371918568 532362289 /nfs/dbraw/zinc/36/22/89/532362289.db2.gz NARLRKUNKYOLLE-XHSDSOJGSA-N 0 1 384.567 2.127 20 0 GEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000515389656 532362599 /nfs/dbraw/zinc/36/25/99/532362599.db2.gz YVZHHYWIIJYUOZ-XHDPSFHLSA-N 0 1 391.269 2.051 20 0 GEADMN O=C(CCN1CCCC1=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000589896964 532363049 /nfs/dbraw/zinc/36/30/49/532363049.db2.gz UCHUNIHIBOZBDW-UHFFFAOYSA-N 0 1 378.230 2.185 20 0 GEADMN O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CCCc2[nH]cnc21 ZINC000647015849 532363440 /nfs/dbraw/zinc/36/34/40/532363440.db2.gz VZELNRLXLCPYKK-GXTWGEPZSA-N 0 1 389.253 2.124 20 0 GEADMN Cc1cccc(I)c1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425068332 532363508 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GEADMN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736379779 598915419 /nfs/dbraw/zinc/91/54/19/598915419.db2.gz DHCRWABWDQBVLJ-LSDHHAIUSA-N 0 1 378.864 2.084 20 0 GEADMN CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736646779 598931310 /nfs/dbraw/zinc/93/13/10/598931310.db2.gz JWQRENQQGDJNKV-UHFFFAOYSA-N 0 1 389.437 2.383 20 0 GEADMN C[C@@H]1C[N@H+](C(C)(C)CNc2c3ccccc3nnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736295181 598956310 /nfs/dbraw/zinc/95/63/10/598956310.db2.gz ZIUURQULSFSFRO-BETUJISGSA-N 0 1 382.472 2.110 20 0 GEADMN C[C@@H]1C[N@@H+](C(C)(C)CNc2c3ccccc3nnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736295181 598956311 /nfs/dbraw/zinc/95/63/11/598956311.db2.gz ZIUURQULSFSFRO-BETUJISGSA-N 0 1 382.472 2.110 20 0 GEADMN C[C@@H]1C[N@H+](C(C)(C)CNc2c3ccccc3nnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736295181 598956312 /nfs/dbraw/zinc/95/63/12/598956312.db2.gz ZIUURQULSFSFRO-BETUJISGSA-N 0 1 382.472 2.110 20 0 GEADMN C[C@@H]1C[N@@H+](C(C)(C)CNc2c3ccccc3nnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736295181 598956313 /nfs/dbraw/zinc/95/63/13/598956313.db2.gz ZIUURQULSFSFRO-BETUJISGSA-N 0 1 382.472 2.110 20 0 GEADMN Cn1c(Sc2c3ccccc3nnc2-c2nn[nH]n2)nnc1-c1ccncc1 ZINC000737590592 598956379 /nfs/dbraw/zinc/95/63/79/598956379.db2.gz ABPMDTYVTNSGAS-UHFFFAOYSA-N 0 1 388.420 2.152 20 0 GEADMN c1ccc(C[NH+]2CCC(Nc3c4ccccc4nnc3-c3nnn[n-]3)CC2)nc1 ZINC000738432630 598960835 /nfs/dbraw/zinc/96/08/35/598960835.db2.gz KJIFBCRNNLRIRG-UHFFFAOYSA-N 0 1 387.451 2.281 20 0 GEADMN c1ccc(C[NH+]2CCC(Nc3c4ccccc4nnc3-c3nn[n-]n3)CC2)nc1 ZINC000738432630 598960837 /nfs/dbraw/zinc/96/08/37/598960837.db2.gz KJIFBCRNNLRIRG-UHFFFAOYSA-N 0 1 387.451 2.281 20 0 GEADMN COc1cccc([C@H](C)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000737127687 598961213 /nfs/dbraw/zinc/96/12/13/598961213.db2.gz RCZDPNVXHFRGJD-UGSOOPFHSA-N 0 1 378.436 2.331 20 0 GEADMN CS(=O)(=O)c1ccc(Sc2c3ccccc3nnc2-c2nn[nH]n2)cc1 ZINC000737174087 598963515 /nfs/dbraw/zinc/96/35/15/598963515.db2.gz QYMDSPXDPLSCSO-UHFFFAOYSA-N 0 1 384.446 2.365 20 0 GEADMN Cc1ccc(-c2n[nH]c(S[C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000737288984 599011250 /nfs/dbraw/zinc/01/12/50/599011250.db2.gz NHTCXVPVJYWVQO-CQSZACIVSA-N 0 1 392.448 2.279 20 0 GEADMN C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736856039 599028317 /nfs/dbraw/zinc/02/83/17/599028317.db2.gz LUUXHMLTVHZCEK-UHFFFAOYSA-N 0 1 378.440 2.020 20 0 GEADMN C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736856039 599028319 /nfs/dbraw/zinc/02/83/19/599028319.db2.gz LUUXHMLTVHZCEK-UHFFFAOYSA-N 0 1 378.440 2.020 20 0 GEADMN CN(C)Cc1cc(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)ccc1F ZINC000736772016 599033169 /nfs/dbraw/zinc/03/31/69/599033169.db2.gz UAFBYLZAQXYJFO-CSKARUKUSA-N 0 1 380.427 2.397 20 0 GEADMN CC(C)CN1CCO[C@@H](CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C1 ZINC000735834814 599038147 /nfs/dbraw/zinc/03/81/47/599038147.db2.gz AEYINLCZJCBXLH-NSHDSACASA-N 0 1 385.394 2.049 20 0 GEADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000737740441 599067150 /nfs/dbraw/zinc/06/71/50/599067150.db2.gz MPZMFKFFYHJOAB-IBGZPJMESA-N 0 1 376.464 2.348 20 0 GEADMN C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1cccs1 ZINC000736858571 599084781 /nfs/dbraw/zinc/08/47/81/599084781.db2.gz TUXGZUBKUWZMPY-MLGOLLRUSA-N 0 1 383.481 2.136 20 0 GEADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1cccs1 ZINC000736858571 599084784 /nfs/dbraw/zinc/08/47/84/599084784.db2.gz TUXGZUBKUWZMPY-MLGOLLRUSA-N 0 1 383.481 2.136 20 0 GEADMN C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1cccs1 ZINC000736858571 599084788 /nfs/dbraw/zinc/08/47/88/599084788.db2.gz TUXGZUBKUWZMPY-MLGOLLRUSA-N 0 1 383.481 2.136 20 0 GEADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1cccs1 ZINC000736858571 599084790 /nfs/dbraw/zinc/08/47/90/599084790.db2.gz TUXGZUBKUWZMPY-MLGOLLRUSA-N 0 1 383.481 2.136 20 0 GEADMN C[C@H](c1cccnc1)N1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736205090 599132411 /nfs/dbraw/zinc/13/24/11/599132411.db2.gz XFPNIYJNUNMFCP-QGZVFWFLSA-N 0 1 393.495 2.409 20 0 GEADMN CN(CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736802931 599133374 /nfs/dbraw/zinc/13/33/74/599133374.db2.gz YISQKFCRWQIVTG-GOSISDBHSA-N 0 1 394.435 2.203 20 0 GEADMN O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738217940 599153138 /nfs/dbraw/zinc/15/31/38/599153138.db2.gz AOXNLDKTDRKTFO-UHFFFAOYSA-N 0 1 378.436 2.331 20 0 GEADMN O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738217940 599153141 /nfs/dbraw/zinc/15/31/41/599153141.db2.gz AOXNLDKTDRKTFO-UHFFFAOYSA-N 0 1 378.436 2.331 20 0 GEADMN CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000738573387 596919768 /nfs/dbraw/zinc/91/97/68/596919768.db2.gz IJRHMBIWTJSQQF-UHFFFAOYSA-N 0 1 387.358 2.399 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)cn1 ZINC000740238451 596966368 /nfs/dbraw/zinc/96/63/68/596966368.db2.gz ZSGBUMSSVWHTSO-QGZVFWFLSA-N 0 1 390.403 2.234 20 0 GEADMN CN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1nc2ccccc2o1 ZINC000821597712 607264948 /nfs/dbraw/zinc/26/49/48/607264948.db2.gz DSSOWHAYMKZOSK-UHFFFAOYSA-N 0 1 377.408 2.469 20 0 GEADMN CC(C)[C@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000817969826 597028262 /nfs/dbraw/zinc/02/82/62/597028262.db2.gz UCYSRYVAQARANS-SFHVURJKSA-N 0 1 388.468 2.204 20 0 GEADMN C[C@@]1(c2ccc(Cl)s2)NC(=O)N(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818084867 597042224 /nfs/dbraw/zinc/04/22/24/597042224.db2.gz FOBMSIJNGAVOQA-HWPZZCPQSA-N 0 1 385.873 2.313 20 0 GEADMN C[C@@]1(c2ccc(Cl)s2)NC(=O)N(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818084867 597042229 /nfs/dbraw/zinc/04/22/29/597042229.db2.gz FOBMSIJNGAVOQA-HWPZZCPQSA-N 0 1 385.873 2.313 20 0 GEADMN O=C([O-])Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000738626854 597187582 /nfs/dbraw/zinc/18/75/82/597187582.db2.gz XEQAIUGURWTIQO-UHFFFAOYSA-N 0 1 383.448 2.468 20 0 GEADMN CN(C)[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)c1ccco1 ZINC000736758817 599254075 /nfs/dbraw/zinc/25/40/75/599254075.db2.gz IQAGWKIAVOZGDF-CYBMUJFWSA-N 0 1 385.378 2.423 20 0 GEADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000263392527 597300947 /nfs/dbraw/zinc/30/09/47/597300947.db2.gz QRASESKYPZIGBR-IIDMSEBBSA-N 0 1 375.469 2.168 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000819513604 597456285 /nfs/dbraw/zinc/45/62/85/597456285.db2.gz PUMAKXICSSUAPB-HNNXBMFYSA-N 0 1 387.436 2.136 20 0 GEADMN Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C(=O)[O-] ZINC000820986486 597490570 /nfs/dbraw/zinc/49/05/70/597490570.db2.gz WFJFOKKXRFWWJQ-KBXCAEBGSA-N 0 1 385.464 2.107 20 0 GEADMN CC(=O)NCC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@@H](C)C(=O)[O-] ZINC000263361887 597673566 /nfs/dbraw/zinc/67/35/66/597673566.db2.gz SEBNRCDQYUDBBA-HNNXBMFYSA-N 0 1 380.448 2.413 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000821531191 598063924 /nfs/dbraw/zinc/06/39/24/598063924.db2.gz JTVPAYWRCCZTKI-WBVHZDCISA-N 0 1 389.452 2.023 20 0 GEADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000666566357 598190972 /nfs/dbraw/zinc/19/09/72/598190972.db2.gz MIPHZNRMIHEMIT-IIDMSEBBSA-N 0 1 375.469 2.168 20 0 GEADMN O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000821511969 598206963 /nfs/dbraw/zinc/20/69/63/598206963.db2.gz TWYMFEGZDTXGBG-GOSISDBHSA-N 0 1 386.452 2.054 20 0 GEADMN O=C(c1cccc2c[nH]nc21)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738277347 598237446 /nfs/dbraw/zinc/23/74/46/598237446.db2.gz BZMDXPYLSKDGJT-UHFFFAOYSA-N 0 1 389.419 2.427 20 0 GEADMN Cc1ccccc1[C@@H]1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424795 598255065 /nfs/dbraw/zinc/25/50/65/598255065.db2.gz XOUBDDVITJKNOT-GOSISDBHSA-N 0 1 376.464 2.281 20 0 GEADMN C[C@@H]1CCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259708 598257189 /nfs/dbraw/zinc/25/71/89/598257189.db2.gz GDVVGASSFMVTKG-QAPCUYQASA-N 0 1 383.500 2.273 20 0 GEADMN CN(C)[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccsc1 ZINC000736758385 598318035 /nfs/dbraw/zinc/31/80/35/598318035.db2.gz GUTINBWCLLOBIO-HNNXBMFYSA-N 0 1 389.460 2.169 20 0 GEADMN Cc1nc(-c2nn[nH]n2)c(NNC(=S)NCc2cccc(C(F)(F)F)c2)o1 ZINC000737466763 598322701 /nfs/dbraw/zinc/32/27/01/598322701.db2.gz CILDGNQIZCOZSC-UHFFFAOYSA-N 0 1 398.374 2.173 20 0 GEADMN CCOCc1cccc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c1 ZINC000736625696 598357754 /nfs/dbraw/zinc/35/77/54/598357754.db2.gz KVMCTWDYXDMTCG-UHFFFAOYSA-N 0 1 386.437 2.478 20 0 GEADMN Cc1csc(N2CCN(CCOc3ccccc3-c3nn[nH]n3)C[C@H]2C)n1 ZINC000737451930 598364939 /nfs/dbraw/zinc/36/49/39/598364939.db2.gz HCWJMJVSNXJKGH-CQSZACIVSA-N 0 1 385.497 2.221 20 0 GEADMN CCC(C)(C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736315132 598366215 /nfs/dbraw/zinc/36/62/15/598366215.db2.gz WCUJFPDKQIMAEA-UHFFFAOYSA-N 0 1 385.428 2.200 20 0 GEADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000735561229 598373978 /nfs/dbraw/zinc/37/39/78/598373978.db2.gz JRUMOAZHGLRNQV-GOEBONIOSA-N 0 1 377.452 2.380 20 0 GEADMN C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)[NH+](C)C ZINC000736025946 598399494 /nfs/dbraw/zinc/39/94/94/598399494.db2.gz JSNNCIRXYIOOJE-GFCCVEGCSA-N 0 1 384.415 2.478 20 0 GEADMN C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)[NH+](C)C ZINC000736025946 598399495 /nfs/dbraw/zinc/39/94/95/598399495.db2.gz JSNNCIRXYIOOJE-GFCCVEGCSA-N 0 1 384.415 2.478 20 0 GEADMN Cc1occc1C(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737556720 598462682 /nfs/dbraw/zinc/46/26/82/598462682.db2.gz NLAHWZWTPXNTPP-UHFFFAOYSA-N 0 1 384.415 2.302 20 0 GEADMN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736250757 598471325 /nfs/dbraw/zinc/47/13/25/598471325.db2.gz MDPDIACUAMBCOL-TXEJJXNPSA-N 0 1 398.920 2.061 20 0 GEADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(-c5nn[nH]n5)cn4)C3)[nH]c2c1 ZINC000737373733 598474073 /nfs/dbraw/zinc/47/40/73/598474073.db2.gz UMERGXBJSCTDEM-AWEZNQCLSA-N 0 1 388.435 2.466 20 0 GEADMN COc1ccc(C)cc1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000737077718 598504274 /nfs/dbraw/zinc/50/42/74/598504274.db2.gz XDBKPDNADYDSHF-UHFFFAOYSA-N 0 1 375.388 2.382 20 0 GEADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)Nc1cnn(-c2ccncc2)c1 ZINC000737948218 598659337 /nfs/dbraw/zinc/65/93/37/598659337.db2.gz QRHLGAJDWBXBFH-UHFFFAOYSA-N 0 1 378.421 2.178 20 0 GEADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736230354 598665865 /nfs/dbraw/zinc/66/58/65/598665865.db2.gz SMYGIXDSNFVBFB-GASCZTMLSA-N 0 1 388.541 2.443 20 0 GEADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCc1n[nH]c(-c2ccccc2)n1 ZINC000737940787 598669340 /nfs/dbraw/zinc/66/93/40/598669340.db2.gz IXEHHGQTPSKADQ-UHFFFAOYSA-N 0 1 392.448 2.060 20 0 GEADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCc1nc(-c2ccccc2)n[nH]1 ZINC000737940787 598669342 /nfs/dbraw/zinc/66/93/42/598669342.db2.gz IXEHHGQTPSKADQ-UHFFFAOYSA-N 0 1 392.448 2.060 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000737189103 598697389 /nfs/dbraw/zinc/69/73/89/598697389.db2.gz IKJMKSVOIDBIQE-ZDUSSCGKSA-N 0 1 399.524 2.170 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000737189103 598697391 /nfs/dbraw/zinc/69/73/91/598697391.db2.gz IKJMKSVOIDBIQE-ZDUSSCGKSA-N 0 1 399.524 2.170 20 0 GEADMN CC(C)CN(CC(=O)NCc1cccnc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735827336 598701302 /nfs/dbraw/zinc/70/13/02/598701302.db2.gz KMKAETFCWHSCJB-UHFFFAOYSA-N 0 1 379.468 2.036 20 0 GEADMN C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736274377 598719623 /nfs/dbraw/zinc/71/96/23/598719623.db2.gz UNXQDGQKOVWKPR-XJKSGUPXSA-N 0 1 380.452 2.219 20 0 GEADMN C[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1cccs1 ZINC000736111216 598720505 /nfs/dbraw/zinc/72/05/05/598720505.db2.gz MEXCKQOXKNQZFO-NSHDSACASA-N 0 1 380.433 2.121 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2nnsc2Cl)c2ccc(Cl)cc12 ZINC000738372887 598721848 /nfs/dbraw/zinc/72/18/48/598721848.db2.gz XUHFIVTUXQCMHK-UHFFFAOYSA-N 0 1 380.220 2.388 20 0 GEADMN COc1cccc([C@@H](C)N2CCN(c3nnc(C)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000737126489 598757541 /nfs/dbraw/zinc/75/75/41/598757541.db2.gz MSTHNBZRABBJNJ-OAHLLOKOSA-N 0 1 394.483 2.165 20 0 GEADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737487395 598807939 /nfs/dbraw/zinc/80/79/39/598807939.db2.gz IGXGLYYZOYJDNG-UHFFFAOYSA-N 0 1 398.814 2.066 20 0 GEADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000736200580 599312344 /nfs/dbraw/zinc/31/23/44/599312344.db2.gz VGNOCRRSBZKYPG-CYBMUJFWSA-N 0 1 398.492 2.358 20 0 GEADMN O=C1C[C@@H](N2CCC3(C2)CCCCC3)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301611 599334317 /nfs/dbraw/zinc/33/43/17/599334317.db2.gz PMJXGWLEYKTAGO-MRXNPFEDSA-N 0 1 380.452 2.155 20 0 GEADMN Brc1ccc(NCCCCN2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000735369835 599362776 /nfs/dbraw/zinc/36/27/76/599362776.db2.gz XVMOSVSKJNXHEE-UHFFFAOYSA-N 0 1 381.278 2.154 20 0 GEADMN C[C@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736158932 599367096 /nfs/dbraw/zinc/36/70/96/599367096.db2.gz KHJVOUNIXKTKLL-QMMMGPOBSA-N 0 1 389.318 2.035 20 0 GEADMN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737742928 599478928 /nfs/dbraw/zinc/47/89/28/599478928.db2.gz RNYBGLWBAKKWHK-RDTXWAMCSA-N 0 1 380.427 2.097 20 0 GEADMN CCOc1ccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)cc1OC ZINC000736644620 599485078 /nfs/dbraw/zinc/48/50/78/599485078.db2.gz LYHSOCMBYFEVGF-UHFFFAOYSA-N 0 1 379.424 2.212 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1-c1nn[nH]n1 ZINC000737188129 599495127 /nfs/dbraw/zinc/49/51/27/599495127.db2.gz ZUDIBCDSENDHFN-HNNXBMFYSA-N 0 1 396.476 2.440 20 0 GEADMN Clc1cccc(-c2nn[nH]n2)c1N1CCC(CCN2CCOCC2)CC1 ZINC000822582136 599507516 /nfs/dbraw/zinc/50/75/16/599507516.db2.gz QTMZYZJQXKNWCY-UHFFFAOYSA-N 0 1 376.892 2.459 20 0 GEADMN CCOCCN1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000821378338 599534618 /nfs/dbraw/zinc/53/46/18/599534618.db2.gz LYWKRXOWTASVOF-UHFFFAOYSA-N 0 1 387.875 2.227 20 0 GEADMN C[C@@](CO)(NCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)C1CCCCC1 ZINC000820280960 599577997 /nfs/dbraw/zinc/57/79/97/599577997.db2.gz QBNGIDRQDGFFJQ-IBGZPJMESA-N 0 1 383.456 2.338 20 0 GEADMN C[C@](CO)(NCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)C1CCCCC1 ZINC000820280961 599578512 /nfs/dbraw/zinc/57/85/12/599578512.db2.gz QBNGIDRQDGFFJQ-LJQANCHMSA-N 0 1 383.456 2.338 20 0 GEADMN CC[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736401344 599580884 /nfs/dbraw/zinc/58/08/84/599580884.db2.gz IOHGNAVZFQJBGH-OAHLLOKOSA-N 0 1 397.483 2.101 20 0 GEADMN Cc1ccc(C[C@H](C)N(C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737335043 599589935 /nfs/dbraw/zinc/58/99/35/599589935.db2.gz PGWUWYJEMAABLQ-INIZCTEOSA-N 0 1 378.480 2.354 20 0 GEADMN O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822997600 599640671 /nfs/dbraw/zinc/64/06/71/599640671.db2.gz SVXHYDWUWJCOGO-WMLDXEAASA-N 0 1 392.467 2.255 20 0 GEADMN O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822997600 599640672 /nfs/dbraw/zinc/64/06/72/599640672.db2.gz SVXHYDWUWJCOGO-WMLDXEAASA-N 0 1 392.467 2.255 20 0 GEADMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C2CCC2)c1-c1nn[nH]n1 ZINC000822015061 599641506 /nfs/dbraw/zinc/64/15/06/599641506.db2.gz BHOLNNLVYYBNGX-UHFFFAOYSA-N 0 1 383.456 2.349 20 0 GEADMN COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821891122 599643166 /nfs/dbraw/zinc/64/31/66/599643166.db2.gz VYEJKAPENMSVKX-AWEZNQCLSA-N 0 1 380.452 2.377 20 0 GEADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000820524802 599692291 /nfs/dbraw/zinc/69/22/91/599692291.db2.gz AABRMNLJEARXLF-NSHDSACASA-N 0 1 395.398 2.008 20 0 GEADMN C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)c1nnc[nH]1 ZINC000820396921 599692302 /nfs/dbraw/zinc/69/23/02/599692302.db2.gz JQVDZRVMCLPNOJ-LLVKDONJSA-N 0 1 376.380 2.268 20 0 GEADMN CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C(=O)[O-] ZINC000736874807 599717028 /nfs/dbraw/zinc/71/70/28/599717028.db2.gz DQPHENAPQGZMBP-ACJLOTCBSA-N 0 1 393.459 2.092 20 0 GEADMN Cc1oc(CN(C)C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1C(=O)[O-] ZINC000738969141 599721782 /nfs/dbraw/zinc/72/17/82/599721782.db2.gz HZOWOJAAXYRUQG-LJQANCHMSA-N 0 1 386.448 2.443 20 0 GEADMN Cc1oc(CN(C)C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1C(=O)[O-] ZINC000738969138 599721966 /nfs/dbraw/zinc/72/19/66/599721966.db2.gz HZOWOJAAXYRUQG-IBGZPJMESA-N 0 1 386.448 2.443 20 0 GEADMN Cc1nn(-c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000738897091 599751489 /nfs/dbraw/zinc/75/14/89/599751489.db2.gz ZJDGNCIJLAQYPZ-QGZVFWFLSA-N 0 1 396.491 2.473 20 0 GEADMN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000737516278 599753123 /nfs/dbraw/zinc/75/31/23/599753123.db2.gz SWWXEXVVQIMMHK-HXUWFJFHSA-N 0 1 381.476 2.332 20 0 GEADMN C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000737491738 599756653 /nfs/dbraw/zinc/75/66/53/599756653.db2.gz HOEJQWUTEXIFRZ-UHFFFAOYSA-N 0 1 387.524 2.154 20 0 GEADMN C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000737491738 599756656 /nfs/dbraw/zinc/75/66/56/599756656.db2.gz HOEJQWUTEXIFRZ-UHFFFAOYSA-N 0 1 387.524 2.154 20 0 GEADMN COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)[NH+]2CCCC2)c1 ZINC000738092613 599766859 /nfs/dbraw/zinc/76/68/59/599766859.db2.gz QOOYANXVPZHFRJ-OAHLLOKOSA-N 0 1 394.449 2.102 20 0 GEADMN O=C([O-])[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(Br)cc1 ZINC000739501283 599790962 /nfs/dbraw/zinc/79/09/62/599790962.db2.gz VRLNTFUUKXWLNR-CYBMUJFWSA-N 0 1 394.250 2.434 20 0 GEADMN C[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000737517384 599792544 /nfs/dbraw/zinc/79/25/44/599792544.db2.gz AAPCGZODPKKOBQ-UONOGXRCSA-N 0 1 384.274 2.358 20 0 GEADMN C[C@@H](C[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1)C(=O)[O-] ZINC000736579572 599803761 /nfs/dbraw/zinc/80/37/61/599803761.db2.gz SWCJGIVGFLPZHN-HNNXBMFYSA-N 0 1 376.478 2.099 20 0 GEADMN COc1ccccc1CC[N@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000738125510 599813987 /nfs/dbraw/zinc/81/39/87/599813987.db2.gz FNZJFZMMQRDEMJ-LJQANCHMSA-N 0 1 382.460 2.208 20 0 GEADMN COc1ccccc1CC[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000738125510 599813989 /nfs/dbraw/zinc/81/39/89/599813989.db2.gz FNZJFZMMQRDEMJ-LJQANCHMSA-N 0 1 382.460 2.208 20 0 GEADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000736492284 599820328 /nfs/dbraw/zinc/82/03/28/599820328.db2.gz ZYWKNAFDOUWKKH-CABCVRRESA-N 0 1 377.441 2.157 20 0 GEADMN O=C([O-])N1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000739381431 599864821 /nfs/dbraw/zinc/86/48/21/599864821.db2.gz NBEBTFJVQIVZDQ-OAHLLOKOSA-N 0 1 396.438 2.371 20 0 GEADMN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccsc1 ZINC000737361269 599878016 /nfs/dbraw/zinc/87/80/16/599878016.db2.gz MHAKHKXVGDZXJC-INIZCTEOSA-N 0 1 389.477 2.123 20 0 GEADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000739628091 599894287 /nfs/dbraw/zinc/89/42/87/599894287.db2.gz YCMAVTWECMHLPJ-UWCCDQBKSA-N 0 1 376.478 2.342 20 0 GEADMN COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000737858503 599895350 /nfs/dbraw/zinc/89/53/50/599895350.db2.gz MQQGENWZWLGCNC-IBGZPJMESA-N 0 1 384.432 2.288 20 0 GEADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)NCCSCC(=O)[O-])CC2)cc1 ZINC000736514080 599903152 /nfs/dbraw/zinc/90/31/52/599903152.db2.gz KXVKGVSNEYTXQA-UHFFFAOYSA-N 0 1 379.526 2.455 20 0 GEADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000739624060 599905340 /nfs/dbraw/zinc/90/53/40/599905340.db2.gz GWQAJZGQXSOHIC-LEWJYISDSA-N 0 1 394.471 2.488 20 0 GEADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000739624060 599905342 /nfs/dbraw/zinc/90/53/42/599905342.db2.gz GWQAJZGQXSOHIC-LEWJYISDSA-N 0 1 394.471 2.488 20 0 GEADMN C[C@H](C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1)C(=O)[O-] ZINC000736577882 599948778 /nfs/dbraw/zinc/94/87/78/599948778.db2.gz GEYLSZHRVUQNBH-OAHLLOKOSA-N 0 1 377.460 2.050 20 0 GEADMN C[C@@H](C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1)C(=O)[O-] ZINC000736578605 599950231 /nfs/dbraw/zinc/95/02/31/599950231.db2.gz NTDAQLXFNICPJP-YOEHRIQHSA-N 0 1 388.464 2.306 20 0 GEADMN CC(C)[C@H](NC(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 ZINC000736579183 599950959 /nfs/dbraw/zinc/95/09/59/599950959.db2.gz QONGDCLRJGACCA-VLIAUNLRSA-N 0 1 390.480 2.456 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000738521732 599957438 /nfs/dbraw/zinc/95/74/38/599957438.db2.gz ZPEGYDHNDVBUIW-NVXWUHKLSA-N 0 1 397.479 2.411 20 0 GEADMN Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H](C(=O)[O-])C3)c2c1C ZINC000567113608 599959691 /nfs/dbraw/zinc/95/96/91/599959691.db2.gz GLCLSQOEPMISMG-CYBMUJFWSA-N 0 1 376.482 2.194 20 0 GEADMN Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)no1 ZINC000738852540 599979122 /nfs/dbraw/zinc/97/91/22/599979122.db2.gz YKDWQVUBUMGMNI-HNNXBMFYSA-N 0 1 387.440 2.039 20 0 GEADMN Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)no1 ZINC000738852540 599979123 /nfs/dbraw/zinc/97/91/23/599979123.db2.gz YKDWQVUBUMGMNI-HNNXBMFYSA-N 0 1 387.440 2.039 20 0 GEADMN CC(C)[N@H+](C)CC1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000736455474 600003544 /nfs/dbraw/zinc/00/35/44/600003544.db2.gz SANCCKYDTKDNNM-HXUWFJFHSA-N 0 1 387.524 2.077 20 0 GEADMN CC(C)[N@@H+](C)CC1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000736455474 600003547 /nfs/dbraw/zinc/00/35/47/600003547.db2.gz SANCCKYDTKDNNM-HXUWFJFHSA-N 0 1 387.524 2.077 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cn1 ZINC000738886662 600019220 /nfs/dbraw/zinc/01/92/20/600019220.db2.gz AAJHKJQDLSYCCH-UHFFFAOYSA-N 0 1 377.404 2.499 20 0 GEADMN C[NH+]1CCN([C@@H](C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c2ccccc2)CC1 ZINC000737515481 600044770 /nfs/dbraw/zinc/04/47/70/600044770.db2.gz JPOAGAJRNXSQPB-HXUWFJFHSA-N 0 1 379.460 2.216 20 0 GEADMN C[C@H](C(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)N(C)Cc1ccccc1 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CN(C[C@@H]1CCC[N@@H+](CN2C(=O)CN(/C=C\c3ccccc3)C2=O)C1)C(=O)[O-] ZINC000739634759 602861182 /nfs/dbraw/zinc/86/11/82/602861182.db2.gz ASLOHDFTIYDXQL-CCCPALQASA-N 0 1 386.452 2.201 20 0 GEADMN C[N@@H+](CCN1CCN(C(=O)[O-])CC1)Cc1ccc(OCc2ccncc2)cc1 ZINC000739684726 602868025 /nfs/dbraw/zinc/86/80/25/602868025.db2.gz NQJQFRZUNOKAPV-UHFFFAOYSA-N 0 1 384.480 2.388 20 0 GEADMN O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000740361268 602869389 /nfs/dbraw/zinc/86/93/89/602869389.db2.gz BLCADXUCGWIUHB-MOPGFXCFSA-N 0 1 389.496 2.174 20 0 GEADMN C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H](C)N1C(=O)[O-] ZINC000739131097 602898206 /nfs/dbraw/zinc/89/82/06/602898206.db2.gz BRNSIXAAEQSTPD-ZHALLVOQSA-N 0 1 388.512 2.333 20 0 GEADMN CCCN(C(=O)C[C@H](C)NC(=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000826859733 602931193 /nfs/dbraw/zinc/93/11/93/602931193.db2.gz VPJPNMZSDGDRMH-AWEZNQCLSA-N 0 1 377.489 2.347 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3CNC(=O)[O-])CC2)cs1 ZINC000740224253 602979374 /nfs/dbraw/zinc/97/93/74/602979374.db2.gz UENVFTHKWOGPFQ-HOCLYGCPSA-N 0 1 380.514 2.216 20 0 GEADMN CC[C@H]1CN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)CC[N@H+]1CCOC ZINC000739277797 602997412 /nfs/dbraw/zinc/99/74/12/602997412.db2.gz HSMGPAQTKQILEV-AWEZNQCLSA-N 0 1 380.445 2.360 20 0 GEADMN COCC[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C[C@@H]1C ZINC000739836582 602998049 /nfs/dbraw/zinc/99/80/49/602998049.db2.gz YUJJJLXJGUWOQT-AWEZNQCLSA-N 0 1 376.457 2.302 20 0 GEADMN COCC[N@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C[C@@H]1C ZINC000739836582 602998051 /nfs/dbraw/zinc/99/80/51/602998051.db2.gz YUJJJLXJGUWOQT-AWEZNQCLSA-N 0 1 376.457 2.302 20 0 GEADMN O=C([O-])N[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000740536251 603017947 /nfs/dbraw/zinc/01/79/47/603017947.db2.gz JFBRGOAQPWJYSJ-RTBURBONSA-N 0 1 383.448 2.013 20 0 GEADMN O=C([O-])N[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000740536251 603017950 /nfs/dbraw/zinc/01/79/50/603017950.db2.gz JFBRGOAQPWJYSJ-RTBURBONSA-N 0 1 383.448 2.013 20 0 GEADMN O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000740579172 603026932 /nfs/dbraw/zinc/02/69/32/603026932.db2.gz VWMOLTTYWPSCDM-WMLDXEAASA-N 0 1 381.423 2.482 20 0 GEADMN C[C@H](c1ccc(NC(=O)NC2CCN(C(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000736718065 603030068 /nfs/dbraw/zinc/03/00/68/603030068.db2.gz QAVKQVPNLQNFDR-CQSZACIVSA-N 0 1 376.457 2.344 20 0 GEADMN O=C([O-])NC[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000740643151 603036735 /nfs/dbraw/zinc/03/67/35/603036735.db2.gz QCTUXBZYEWLKGF-SMDDNHRTSA-N 0 1 387.358 2.280 20 0 GEADMN CC[NH+]1CCN(CCCCNC(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1 ZINC000739461656 603038064 /nfs/dbraw/zinc/03/80/64/603038064.db2.gz UXWUXOISTRYGKD-UHFFFAOYSA-N 0 1 381.452 2.455 20 0 GEADMN O=C([O-])N1CC[NH+](CCCNC(=O)N2CCS[C@H](c3ccccc3)C2)CC1 ZINC000740527146 603046859 /nfs/dbraw/zinc/04/68/59/603046859.db2.gz ODUZICWYIYDMQN-KRWDZBQOSA-N 0 1 392.525 2.172 20 0 GEADMN O=C([O-])N1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H]1C1CCCCC1)C2=O ZINC000740508022 603047462 /nfs/dbraw/zinc/04/74/62/603047462.db2.gz XRFBRGLZRWSFLM-OAHLLOKOSA-N 0 1 378.473 2.053 20 0 GEADMN O=C([O-])N1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H]1CC1CCCCC1)C2=O ZINC000740507591 603049835 /nfs/dbraw/zinc/04/98/35/603049835.db2.gz RTKIYHWVHONFDP-INIZCTEOSA-N 0 1 392.500 2.443 20 0 GEADMN CC[NH+]1CCN(c2ccc(C(=O)NC3CCC(NC(=O)[O-])CC3)cc2F)CC1 ZINC000739456286 603062763 /nfs/dbraw/zinc/06/27/63/603062763.db2.gz ILUSYTURDLIFIY-UHFFFAOYSA-N 0 1 392.475 2.276 20 0 GEADMN CC(C)N(CCC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000738961932 603062883 /nfs/dbraw/zinc/06/28/83/603062883.db2.gz TWPUADPNKGAGCT-AEFFLSMTSA-N 0 1 377.485 2.171 20 0 GEADMN CC(C)N(CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000738961932 603062888 /nfs/dbraw/zinc/06/28/88/603062888.db2.gz TWPUADPNKGAGCT-AEFFLSMTSA-N 0 1 377.485 2.171 20 0 GEADMN CC[C@@H]1CN(C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000826683096 603091966 /nfs/dbraw/zinc/09/19/66/603091966.db2.gz RMWONMJCLOAXRE-QRQLOZEOSA-N 0 1 389.496 2.345 20 0 GEADMN CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738766421 603099634 /nfs/dbraw/zinc/09/96/34/603099634.db2.gz ALNLDNFBKNJEFE-FXAWDEMLSA-N 0 1 377.485 2.076 20 0 GEADMN CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738766421 603099636 /nfs/dbraw/zinc/09/96/36/603099636.db2.gz ALNLDNFBKNJEFE-FXAWDEMLSA-N 0 1 377.485 2.076 20 0 GEADMN CC(C)[C@](C)(CNC(=O)[O-])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738766427 603099713 /nfs/dbraw/zinc/09/97/13/603099713.db2.gz ALNLDNFBKNJEFE-XLIONFOSSA-N 0 1 377.485 2.076 20 0 GEADMN CC(C)[C@](C)(CNC(=O)[O-])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738766427 603099715 /nfs/dbraw/zinc/09/97/15/603099715.db2.gz ALNLDNFBKNJEFE-XLIONFOSSA-N 0 1 377.485 2.076 20 0 GEADMN CC(C)[C@](C)(CNC(=O)[O-])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738766424 603099743 /nfs/dbraw/zinc/09/97/43/603099743.db2.gz ALNLDNFBKNJEFE-PXNSSMCTSA-N 0 1 377.485 2.076 20 0 GEADMN CC(C)[C@](C)(CNC(=O)[O-])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738766424 603099745 /nfs/dbraw/zinc/09/97/45/603099745.db2.gz ALNLDNFBKNJEFE-PXNSSMCTSA-N 0 1 377.485 2.076 20 0 GEADMN O=C([O-])NC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000740532236 603106437 /nfs/dbraw/zinc/10/64/37/603106437.db2.gz GHJLRIBBZBLGBJ-UHFFFAOYSA-N 0 1 379.460 2.136 20 0 GEADMN COc1ccc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000739914131 603116030 /nfs/dbraw/zinc/11/60/30/603116030.db2.gz BOJCEOAXBAGNKZ-HXUWFJFHSA-N 0 1 385.420 2.361 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])cc1F ZINC000740236496 603122958 /nfs/dbraw/zinc/12/29/58/603122958.db2.gz MLAXISQPXHGOKA-BDJLRTHQSA-N 0 1 390.415 2.439 20 0 GEADMN C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000739203450 603138180 /nfs/dbraw/zinc/13/81/80/603138180.db2.gz SIMHSGBDKJCHQV-CGTJXYLNSA-N 0 1 389.496 2.171 20 0 GEADMN COC1(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C(=O)[O-])CC1 ZINC000828849498 603222969 /nfs/dbraw/zinc/22/29/69/603222969.db2.gz PPBNYWQHFSZMTH-SFHVURJKSA-N 0 1 389.496 2.126 20 0 GEADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828258496 603223442 /nfs/dbraw/zinc/22/34/42/603223442.db2.gz FFOYRNQTAIYBNF-OALUTQOASA-N 0 1 389.496 2.126 20 0 GEADMN O=C([O-])NC[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000832402617 603232057 /nfs/dbraw/zinc/23/20/57/603232057.db2.gz JTIROHGJFXQDPQ-SFHVURJKSA-N 0 1 389.496 2.189 20 0 GEADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000738824606 603268350 /nfs/dbraw/zinc/26/83/50/603268350.db2.gz KBDNYMAHKPIFJG-HZPDHXFCSA-N 0 1 383.876 2.122 20 0 GEADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CCCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000826058026 603318918 /nfs/dbraw/zinc/31/89/18/603318918.db2.gz MHVJOCIQBXQIRK-FCEWJHQRSA-N 0 1 389.496 2.445 20 0 GEADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@@H](C)O1 ZINC000739179294 603321472 /nfs/dbraw/zinc/32/14/72/603321472.db2.gz WEWBKQGMSRAMDO-ZIAGYGMSSA-N 0 1 378.473 2.464 20 0 GEADMN CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739452424 603322316 /nfs/dbraw/zinc/32/23/16/603322316.db2.gz RNBKJJJXYFENGD-LBPRGKRZSA-N 0 1 390.440 2.174 20 0 GEADMN CCN(Cc1cccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1)C(=O)[O-] ZINC000827169377 603330341 /nfs/dbraw/zinc/33/03/41/603330341.db2.gz AYCRFZGWMBMRRF-MRXNPFEDSA-N 0 1 391.516 2.192 20 0 GEADMN CC(C)[C@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])[NH+]1CCOCC1 ZINC000738782997 603334852 /nfs/dbraw/zinc/33/48/52/603334852.db2.gz IVJMRUKECZRPOT-KRWDZBQOSA-N 0 1 378.473 2.275 20 0 GEADMN CCN(Cc1cccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1)C(=O)[O-] ZINC000739447274 603345674 /nfs/dbraw/zinc/34/56/74/603345674.db2.gz NQTZONXMJSDXRV-SJORKVTESA-N 0 1 376.457 2.171 20 0 GEADMN C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[C@H]1NC(=O)[O-] ZINC000739127562 603361919 /nfs/dbraw/zinc/36/19/19/603361919.db2.gz ZCDYICASHGKXRJ-DJIMGWMZSA-N 0 1 377.510 2.281 20 0 GEADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000738823005 603362831 /nfs/dbraw/zinc/36/28/31/603362831.db2.gz DGESLIFQSSGVED-KRWDZBQOSA-N 0 1 378.473 2.275 20 0 GEADMN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000825426987 603368205 /nfs/dbraw/zinc/36/82/05/603368205.db2.gz NBYPMIZUZFLWCU-RHSMWYFYSA-N 0 1 376.457 2.344 20 0 GEADMN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccsc1 ZINC000739602189 603385928 /nfs/dbraw/zinc/38/59/28/603385928.db2.gz KKIUXWOKHLWNQT-CQSZACIVSA-N 0 1 376.438 2.196 20 0 GEADMN CC[C@@H](CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000739259031 603392394 /nfs/dbraw/zinc/39/23/94/603392394.db2.gz ZVTRCIFDLFONRJ-OALUTQOASA-N 0 1 389.496 2.099 20 0 GEADMN O=C([O-])NC[C@@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000832404283 603398847 /nfs/dbraw/zinc/39/88/47/603398847.db2.gz ZUQIPVDTCIKSRL-GOSISDBHSA-N 0 1 387.505 2.486 20 0 GEADMN Cc1cc(C)n([C@H]2CCC[N@@H+](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[O-])C2)n1 ZINC000830016678 603405642 /nfs/dbraw/zinc/40/56/42/603405642.db2.gz IFCKFIUHRRKQKU-UFYCRDLUSA-N 0 1 386.496 2.377 20 0 GEADMN C[C@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823669507 603426328 /nfs/dbraw/zinc/42/63/28/603426328.db2.gz OGCUDYYNTMZARV-UHOSZYNNSA-N 0 1 389.496 2.345 20 0 GEADMN COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000829362363 603437648 /nfs/dbraw/zinc/43/76/48/603437648.db2.gz KJLLBPYZBZYEHO-IAGOWNOFSA-N 0 1 375.469 2.166 20 0 GEADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])C[C@@H](C)O1 ZINC000826042940 603440325 /nfs/dbraw/zinc/44/03/25/603440325.db2.gz VPIGPKKGDRWDNH-NUJGCVRESA-N 0 1 391.512 2.259 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])cn1 ZINC000830818137 603501943 /nfs/dbraw/zinc/50/19/43/603501943.db2.gz HLGWELNOBRQUHH-GOSISDBHSA-N 0 1 393.447 2.461 20 0 GEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000825192331 603540472 /nfs/dbraw/zinc/54/04/72/603540472.db2.gz CRFJEZRJXVPRKN-UHOSZYNNSA-N 0 1 389.496 2.315 20 0 GEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000825192331 603540475 /nfs/dbraw/zinc/54/04/75/603540475.db2.gz CRFJEZRJXVPRKN-UHOSZYNNSA-N 0 1 389.496 2.315 20 0 GEADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828624218 603548639 /nfs/dbraw/zinc/54/86/39/603548639.db2.gz LTWKNMZBWHLZRL-VMXHOPILSA-N 0 1 390.480 2.032 20 0 GEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000825192954 603553661 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COc1cccc([C@H](C)N[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821858314 606302345 /nfs/dbraw/zinc/30/23/45/606302345.db2.gz FDPFGQSGEORALI-NHYWBVRUSA-N 0 1 384.465 2.393 20 0 GEADMN C[C@H](NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000820420970 606307665 /nfs/dbraw/zinc/30/76/65/606307665.db2.gz YUJWLSZBOFIGSB-NSHDSACASA-N 0 1 393.419 2.269 20 0 GEADMN CC[C@H](C)C[N@H+](CC)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820870481 606376121 /nfs/dbraw/zinc/37/61/21/606376121.db2.gz SZHPXZPYDDGGPT-AWEZNQCLSA-N 0 1 382.472 2.359 20 0 GEADMN CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820870481 606376123 /nfs/dbraw/zinc/37/61/23/606376123.db2.gz SZHPXZPYDDGGPT-AWEZNQCLSA-N 0 1 382.472 2.359 20 0 GEADMN CCCC1=NC(=S)N[C@H](c2ccc(-c3nn[nH]n3)s2)C1C(=O)OCC ZINC000821034003 606394970 /nfs/dbraw/zinc/39/49/70/606394970.db2.gz HITMPRQVLHVZTR-GFCCVEGCSA-N 0 1 378.483 2.064 20 0 GEADMN COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N(C)C)cc1OC ZINC000821778350 606405877 /nfs/dbraw/zinc/40/58/77/606405877.db2.gz YVRXLHGMVFZSOK-AWEZNQCLSA-N 0 1 388.497 2.338 20 0 GEADMN COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N(C)C)cc1OC ZINC000821778350 606405879 /nfs/dbraw/zinc/40/58/79/606405879.db2.gz YVRXLHGMVFZSOK-AWEZNQCLSA-N 0 1 388.497 2.338 20 0 GEADMN Cc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCOCC2)c1 ZINC000822288978 606409450 /nfs/dbraw/zinc/40/94/50/606409450.db2.gz OJGGXKKCHSAZAM-QGZVFWFLSA-N 0 1 384.509 2.400 20 0 GEADMN Cc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCOCC2)c1 ZINC000822288978 606409451 /nfs/dbraw/zinc/40/94/51/606409451.db2.gz OJGGXKKCHSAZAM-QGZVFWFLSA-N 0 1 384.509 2.400 20 0 GEADMN CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C1 ZINC000821697757 606518838 /nfs/dbraw/zinc/51/88/38/606518838.db2.gz PYZVBCCEHMKDEV-NEPJUHHUSA-N 0 1 390.513 2.102 20 0 GEADMN CO[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C1 ZINC000821697757 606518839 /nfs/dbraw/zinc/51/88/39/606518839.db2.gz PYZVBCCEHMKDEV-NEPJUHHUSA-N 0 1 390.513 2.102 20 0 GEADMN C[C@@H]1CC/C(=C\C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000820678739 606618971 /nfs/dbraw/zinc/61/89/71/606618971.db2.gz XUFMLCIGCCLHDX-RVROTUBLSA-N 0 1 383.456 2.127 20 0 GEADMN C[C@H]1CC/C(=C\C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000820678738 606619000 /nfs/dbraw/zinc/61/90/00/606619000.db2.gz XUFMLCIGCCLHDX-OWRWYXLESA-N 0 1 383.456 2.127 20 0 GEADMN CC[C@H]1CN2CCCC[C@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002223 606685718 /nfs/dbraw/zinc/68/57/18/606685718.db2.gz VBSFOBUPEOPYKW-STQMWFEESA-N 0 1 376.411 2.234 20 0 GEADMN Cc1cc(C)cc(OCCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000822197779 606701040 /nfs/dbraw/zinc/70/10/40/606701040.db2.gz PBURNXHPUUVZBN-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1cc(C)cc(OCCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000822197779 606701041 /nfs/dbraw/zinc/70/10/41/606701041.db2.gz PBURNXHPUUVZBN-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1cc(C)cc(OCCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000822197779 606701042 /nfs/dbraw/zinc/70/10/42/606701042.db2.gz PBURNXHPUUVZBN-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN Cc1cc(C)cc(OCCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000822197779 606701043 /nfs/dbraw/zinc/70/10/43/606701043.db2.gz PBURNXHPUUVZBN-UHFFFAOYSA-N 0 1 384.488 2.122 20 0 GEADMN CC1(C2CCN(Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC2)OCCO1 ZINC000820612222 606749954 /nfs/dbraw/zinc/74/99/54/606749954.db2.gz BZIDRKNITMVZPI-UHFFFAOYSA-N 0 1 395.410 2.443 20 0 GEADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821896872 606769701 /nfs/dbraw/zinc/76/97/01/606769701.db2.gz CXYNIYFHPDTJTC-CJNGLKHVSA-N 0 1 378.436 2.331 20 0 GEADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000820788915 606781954 /nfs/dbraw/zinc/78/19/54/606781954.db2.gz RGBAULGBKDHOML-AWEZNQCLSA-N 0 1 398.902 2.453 20 0 GEADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000820788915 606781956 /nfs/dbraw/zinc/78/19/56/606781956.db2.gz RGBAULGBKDHOML-AWEZNQCLSA-N 0 1 398.902 2.453 20 0 GEADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000820788915 606781958 /nfs/dbraw/zinc/78/19/58/606781958.db2.gz RGBAULGBKDHOML-AWEZNQCLSA-N 0 1 398.902 2.453 20 0 GEADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000820788915 606781960 /nfs/dbraw/zinc/78/19/60/606781960.db2.gz RGBAULGBKDHOML-AWEZNQCLSA-N 0 1 398.902 2.453 20 0 GEADMN Cc1nc2sccn2c1CN(C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822467097 606788772 /nfs/dbraw/zinc/78/87/72/606788772.db2.gz HHNVBRHKVRAKJX-UHFFFAOYSA-N 0 1 396.480 2.345 20 0 GEADMN CCC[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000821040379 606861446 /nfs/dbraw/zinc/86/14/46/606861446.db2.gz KZOZZSWDLNLJSG-HNNXBMFYSA-N 0 1 397.483 2.101 20 0 GEADMN C[C@H](CCc1ccco1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820254780 606884198 /nfs/dbraw/zinc/88/41/98/606884198.db2.gz WZHKRMSHJHNTJV-SECBINFHSA-N 0 1 383.380 2.038 20 0 GEADMN C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)o1 ZINC000820675398 606885827 /nfs/dbraw/zinc/88/58/27/606885827.db2.gz IQCKPKOXUYQYMS-KWQFWETISA-N 0 1 395.391 2.340 20 0 GEADMN O=S(=O)(NC[C@@H]1CCc2ccccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572357 606891046 /nfs/dbraw/zinc/89/10/46/606891046.db2.gz HBWJUVAVEPXQTP-NSHDSACASA-N 0 1 391.403 2.153 20 0 GEADMN CC[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1nccs1 ZINC000820925917 606891656 /nfs/dbraw/zinc/89/16/56/606891656.db2.gz NFOWNSXLYJEJAA-JTQLQIEISA-N 0 1 386.409 2.031 20 0 GEADMN CS[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821949929 606892030 /nfs/dbraw/zinc/89/20/30/606892030.db2.gz JWHGZASNBIZRHR-VHSXEESVSA-N 0 1 389.453 2.097 20 0 GEADMN CN(Cc1cc(Br)cn1C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607449 606911050 /nfs/dbraw/zinc/91/10/50/606911050.db2.gz OXQQEQBDKVRRHU-HNNXBMFYSA-N 0 1 391.273 2.133 20 0 GEADMN CCc1nnc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c(-c2nn[nH]n2)c1CC ZINC000821536169 606918721 /nfs/dbraw/zinc/91/87/21/606918721.db2.gz SDILTALTDHKZIX-BETUJISGSA-N 0 1 388.520 2.081 20 0 GEADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821586402 607020618 /nfs/dbraw/zinc/02/06/18/607020618.db2.gz WIZKYWWNUNYNIP-UHFFFAOYSA-N 0 1 398.920 2.015 20 0 GEADMN CS(=O)(=O)CC1(CSc2nc(-c3ccccc3O)n[nH]2)CCOCC1 ZINC000446064908 649970129 /nfs/dbraw/zinc/97/01/29/649970129.db2.gz UVIHUZOBVNEGHS-UHFFFAOYSA-N 0 1 383.495 2.111 20 0 GEADMN COc1cccc(OCCN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000821877788 607038749 /nfs/dbraw/zinc/03/87/49/607038749.db2.gz VPNTWGMEWWXARV-UHFFFAOYSA-N 0 1 398.442 2.215 20 0 GEADMN O[C@@]12CCCC[C@@H]1CN(Cc1nnc(-c3ccc(-c4nn[nH]n4)cc3)o1)CC2 ZINC000823696672 607075283 /nfs/dbraw/zinc/07/52/83/607075283.db2.gz GIPRUWHUECDCQG-DNVCBOLYSA-N 0 1 381.440 2.044 20 0 GEADMN O[C@@]12CCCC[C@H]1CN(Cc1nnc(-c3ccc(-c4nn[nH]n4)cc3)o1)CC2 ZINC000823696673 607075673 /nfs/dbraw/zinc/07/56/73/607075673.db2.gz GIPRUWHUECDCQG-HNAYVOBHSA-N 0 1 381.440 2.044 20 0 GEADMN O[C@]12CCCC[C@H]1CN(Cc1nnc(-c3ccc(-c4nn[nH]n4)cc3)o1)CC2 ZINC000823696674 607075738 /nfs/dbraw/zinc/07/57/38/607075738.db2.gz GIPRUWHUECDCQG-KXBFYZLASA-N 0 1 381.440 2.044 20 0 GEADMN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000821104549 607154703 /nfs/dbraw/zinc/15/47/03/607154703.db2.gz IFBFVGAIKSRTCC-ZDUSSCGKSA-N 0 1 382.472 2.451 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000822200011 607167352 /nfs/dbraw/zinc/16/73/52/607167352.db2.gz QODRWJDCRQBBNI-CYBMUJFWSA-N 0 1 383.456 2.195 20 0 GEADMN OC[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000823707249 607230074 /nfs/dbraw/zinc/23/00/74/607230074.db2.gz XRZMUXQCWDLUFE-LBPRGKRZSA-N 0 1 381.358 2.419 20 0 GEADMN O=C(NCCC1=CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826435985 607794959 /nfs/dbraw/zinc/79/49/59/607794959.db2.gz DHVUZCRLBKQAPD-UHFFFAOYSA-N 0 1 398.471 2.064 20 0 GEADMN C[C@H]1CN(Cc2ccc(CNc3cnccc3-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000824984474 607839419 /nfs/dbraw/zinc/83/94/19/607839419.db2.gz KBTVAHPQVRYLBX-GJZGRUSLSA-N 0 1 379.468 2.483 20 0 GEADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1Cl)CN1CCc2ccccc2C1 ZINC000826504086 607872928 /nfs/dbraw/zinc/87/29/28/607872928.db2.gz MTHWSPTXOZMJDX-INIZCTEOSA-N 0 1 385.855 2.318 20 0 GEADMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCC2 ZINC000825582105 607924408 /nfs/dbraw/zinc/92/44/08/607924408.db2.gz HZWKBYBHKNNJDW-JKSUJKDBSA-N 0 1 385.468 2.433 20 0 GEADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCC2 ZINC000825582105 607924409 /nfs/dbraw/zinc/92/44/09/607924409.db2.gz HZWKBYBHKNNJDW-JKSUJKDBSA-N 0 1 385.468 2.433 20 0 GEADMN CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCC2 ZINC000825582103 607924522 /nfs/dbraw/zinc/92/45/22/607924522.db2.gz HZWKBYBHKNNJDW-HOTGVXAUSA-N 0 1 385.468 2.433 20 0 GEADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCC2 ZINC000825582103 607924523 /nfs/dbraw/zinc/92/45/23/607924523.db2.gz HZWKBYBHKNNJDW-HOTGVXAUSA-N 0 1 385.468 2.433 20 0 GEADMN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825154825 607925114 /nfs/dbraw/zinc/92/51/14/607925114.db2.gz UJFZLLCUERJYGI-QGZVFWFLSA-N 0 1 395.463 2.426 20 0 GEADMN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825154825 607925115 /nfs/dbraw/zinc/92/51/15/607925115.db2.gz UJFZLLCUERJYGI-QGZVFWFLSA-N 0 1 395.463 2.426 20 0 GEADMN COc1ccc([C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[NH+]2CCCCC2)cc1 ZINC000826189415 607987709 /nfs/dbraw/zinc/98/77/09/607987709.db2.gz VEKDSJDTJAJMJV-QGZVFWFLSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccc([C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[NH+]2CCCCC2)cc1 ZINC000826189415 607987710 /nfs/dbraw/zinc/98/77/10/607987710.db2.gz VEKDSJDTJAJMJV-QGZVFWFLSA-N 0 1 380.456 2.304 20 0 GEADMN CN1CC[C@@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@H]1c1ccccc1 ZINC000826029544 608007136 /nfs/dbraw/zinc/00/71/36/608007136.db2.gz SXRXRZHMPHVPCO-NVXWUHKLSA-N 0 1 384.390 2.320 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2C)c1-c1nnn[n-]1 ZINC000826077599 608019567 /nfs/dbraw/zinc/01/95/67/608019567.db2.gz NZFXOYNLTHHGCU-CYBMUJFWSA-N 0 1 382.472 2.183 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2C)c1-c1nn[n-]n1 ZINC000826077599 608019568 /nfs/dbraw/zinc/01/95/68/608019568.db2.gz NZFXOYNLTHHGCU-CYBMUJFWSA-N 0 1 382.472 2.183 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1c(Cl)ccc2cccnc21 ZINC000825935070 608035634 /nfs/dbraw/zinc/03/56/34/608035634.db2.gz UDDGZLPQFORLNR-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1c(Cl)ccc2cccnc21 ZINC000825935070 608035635 /nfs/dbraw/zinc/03/56/35/608035635.db2.gz UDDGZLPQFORLNR-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC2(CCOC2)CC1 ZINC000824045303 608041847 /nfs/dbraw/zinc/04/18/47/608041847.db2.gz KWFWNSRMSHHILT-LBPRGKRZSA-N 0 1 390.875 2.350 20 0 GEADMN NC(=O)[C@@H](NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388897 608111221 /nfs/dbraw/zinc/11/12/21/608111221.db2.gz LNLXVYCPWQXTGY-INIZCTEOSA-N 0 1 382.855 2.368 20 0 GEADMN CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824077509 608129376 /nfs/dbraw/zinc/12/93/76/608129376.db2.gz BVIJAONMVICOKK-AWEZNQCLSA-N 0 1 394.483 2.359 20 0 GEADMN CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824077509 608129377 /nfs/dbraw/zinc/12/93/77/608129377.db2.gz BVIJAONMVICOKK-AWEZNQCLSA-N 0 1 394.483 2.359 20 0 GEADMN CCN(CCCO)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825420054 608159506 /nfs/dbraw/zinc/15/95/06/608159506.db2.gz ZHFFHLBFCLBWOP-GFCCVEGCSA-N 0 1 392.529 2.228 20 0 GEADMN C[C@H]1[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CCN1C ZINC000824857153 608200965 /nfs/dbraw/zinc/20/09/65/608200965.db2.gz BREWEWCFYSCHHF-KBPBESRZSA-N 0 1 393.451 2.219 20 0 GEADMN Cc1cnc([C@@H](C)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)o1 ZINC000826317787 608205246 /nfs/dbraw/zinc/20/52/46/608205246.db2.gz NLLQUMMXAUDURH-GFCCVEGCSA-N 0 1 396.411 2.294 20 0 GEADMN Cc1cccc2nc(CNC(=O)N(C)Cc3ccc(-c4nn[nH]n4)cc3)[nH]c21 ZINC000826304483 608240730 /nfs/dbraw/zinc/24/07/30/608240730.db2.gz MKNGPFPCQLFNGY-UHFFFAOYSA-N 0 1 376.424 2.393 20 0 GEADMN COCc1cnc(CNCCSCc2ccccc2-c2nn[nH]n2)s1 ZINC000826165072 608250732 /nfs/dbraw/zinc/25/07/32/608250732.db2.gz DPFWSBTZABXMJA-UHFFFAOYSA-N 0 1 376.511 2.493 20 0 GEADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825152549 608313415 /nfs/dbraw/zinc/31/34/15/608313415.db2.gz BKNWEZGNKGESAS-FUHWJXTLSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825152549 608313418 /nfs/dbraw/zinc/31/34/18/608313418.db2.gz BKNWEZGNKGESAS-FUHWJXTLSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825152549 608313419 /nfs/dbraw/zinc/31/34/19/608313419.db2.gz BKNWEZGNKGESAS-FUHWJXTLSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825152549 608313421 /nfs/dbraw/zinc/31/34/21/608313421.db2.gz BKNWEZGNKGESAS-FUHWJXTLSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825152549 608313423 /nfs/dbraw/zinc/31/34/23/608313423.db2.gz BKNWEZGNKGESAS-FUHWJXTLSA-N 0 1 381.484 2.486 20 0 GEADMN CCN1C[C@H](C)N(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C[C@@H]1C ZINC000825444269 608315005 /nfs/dbraw/zinc/31/50/05/608315005.db2.gz LDSALYWDWGUANI-MPGHIAIKSA-N 0 1 386.500 2.211 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826332450 608317733 /nfs/dbraw/zinc/31/77/33/608317733.db2.gz UYNNBYOMSLSWNT-IERDGZPVSA-N 0 1 393.495 2.488 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826332450 608317735 /nfs/dbraw/zinc/31/77/35/608317735.db2.gz UYNNBYOMSLSWNT-IERDGZPVSA-N 0 1 393.495 2.488 20 0 GEADMN CCc1cc(CNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)n[nH]1 ZINC000825700595 608411960 /nfs/dbraw/zinc/41/19/60/608411960.db2.gz LSYDXNLINJYSKV-UHFFFAOYSA-N 0 1 378.440 2.151 20 0 GEADMN FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826368554 608419181 /nfs/dbraw/zinc/41/91/81/608419181.db2.gz UOGRRNDWJGGEIU-ZDUSSCGKSA-N 0 1 390.373 2.362 20 0 GEADMN FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826368554 608419183 /nfs/dbraw/zinc/41/91/83/608419183.db2.gz UOGRRNDWJGGEIU-ZDUSSCGKSA-N 0 1 390.373 2.362 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)cc1 ZINC000826521737 608428186 /nfs/dbraw/zinc/42/81/86/608428186.db2.gz XCVBCOBJDITILP-FQEVSTJZSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)cc1 ZINC000826521737 608428188 /nfs/dbraw/zinc/42/81/88/608428188.db2.gz XCVBCOBJDITILP-FQEVSTJZSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)cc1 ZINC000826521737 608428190 /nfs/dbraw/zinc/42/81/90/608428190.db2.gz XCVBCOBJDITILP-FQEVSTJZSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)cc1 ZINC000826521737 608428192 /nfs/dbraw/zinc/42/81/92/608428192.db2.gz XCVBCOBJDITILP-FQEVSTJZSA-N 0 1 376.468 2.149 20 0 GEADMN Fc1c(CN[C@@H](CN2CCOCC2)c2ccccc2)cccc1-c1nn[nH]n1 ZINC000826371223 608430050 /nfs/dbraw/zinc/43/00/50/608430050.db2.gz XJMFOLOCXKFIDW-SFHVURJKSA-N 0 1 382.443 2.169 20 0 GEADMN CCOc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825653615 608438365 /nfs/dbraw/zinc/43/83/65/608438365.db2.gz GQTVKPBQTBDCSW-CQSZACIVSA-N 0 1 380.452 2.232 20 0 GEADMN CC[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC ZINC000825141805 608456377 /nfs/dbraw/zinc/45/63/77/608456377.db2.gz PWIGZDOUISIDLD-KRWDZBQOSA-N 0 1 380.452 2.232 20 0 GEADMN COc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826192210 608461431 /nfs/dbraw/zinc/46/14/31/608461431.db2.gz DPCURICTVYVKMF-CYBMUJFWSA-N 0 1 398.442 2.324 20 0 GEADMN CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824005498 608464668 /nfs/dbraw/zinc/46/46/68/608464668.db2.gz VICYPJRGDWRLJP-LBPRGKRZSA-N 0 1 379.424 2.114 20 0 GEADMN CCCCc1nnc(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000825296621 608467192 /nfs/dbraw/zinc/46/71/92/608467192.db2.gz QPNLMIRWIXUFEN-NSHDSACASA-N 0 1 386.485 2.350 20 0 GEADMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826290951 608469523 /nfs/dbraw/zinc/46/95/23/608469523.db2.gz IIQGONDYHBAKAC-AWEZNQCLSA-N 0 1 393.451 2.482 20 0 GEADMN CC[C@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825139757 608470241 /nfs/dbraw/zinc/47/02/41/608470241.db2.gz HUTRTGZDMFYCLC-INIZCTEOSA-N 0 1 394.435 2.317 20 0 GEADMN COc1cc([C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)ccc1OCCO ZINC000826177622 608470540 /nfs/dbraw/zinc/47/05/40/608470540.db2.gz OZEUZNHVRRUTAU-GFCCVEGCSA-N 0 1 387.415 2.236 20 0 GEADMN COc1cc([C@@H](C)NCc2cccc(-c3nn[nH]n3)c2F)ccc1OCCO ZINC000826177740 608470861 /nfs/dbraw/zinc/47/08/61/608470861.db2.gz SQUALNAATVRUMW-GFCCVEGCSA-N 0 1 387.415 2.236 20 0 GEADMN Cc1nc(CN2CCCN(Cc3cc(-c4nn[nH]n4)cs3)CC2)cs1 ZINC000826326012 608496637 /nfs/dbraw/zinc/49/66/37/608496637.db2.gz VMZPSWKHQCXIOG-UHFFFAOYSA-N 0 1 375.527 2.401 20 0 GEADMN Cc1cccc(CN2CCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1 ZINC000826298327 608502527 /nfs/dbraw/zinc/50/25/27/608502527.db2.gz NYXDQEJTGRLSKU-UHFFFAOYSA-N 0 1 388.479 2.141 20 0 GEADMN Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c(-c2nn[n-]n2)c1C ZINC000826341595 608526621 /nfs/dbraw/zinc/52/66/21/608526621.db2.gz LPRVMUOTWRGGPB-YJBOKZPZSA-N 0 1 396.451 2.382 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1nc2c(s1)CCC2 ZINC000826412601 608531831 /nfs/dbraw/zinc/53/18/31/608531831.db2.gz VDYBCPMPEPYVKG-UHFFFAOYSA-N 0 1 381.465 2.029 20 0 GEADMN COc1cc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc(OC)c1 ZINC000826180517 608533910 /nfs/dbraw/zinc/53/39/10/608533910.db2.gz LACCFEPCGHYKAZ-UHFFFAOYSA-N 0 1 394.435 2.101 20 0 GEADMN Cc1cccc(C(C)(C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826296250 608536091 /nfs/dbraw/zinc/53/60/91/608536091.db2.gz OTBXGOARASVYFC-UHFFFAOYSA-N 0 1 385.493 2.474 20 0 GEADMN C[C@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F ZINC000824572860 608559249 /nfs/dbraw/zinc/55/92/49/608559249.db2.gz XODFRHCWMURWIK-WCQYABFASA-N 0 1 375.379 2.235 20 0 GEADMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826453693 608591466 /nfs/dbraw/zinc/59/14/66/608591466.db2.gz VVLMZDVRLVQEBA-LLVKDONJSA-N 0 1 387.831 2.359 20 0 GEADMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826453693 608591469 /nfs/dbraw/zinc/59/14/69/608591469.db2.gz VVLMZDVRLVQEBA-LLVKDONJSA-N 0 1 387.831 2.359 20 0 GEADMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826453693 608591470 /nfs/dbraw/zinc/59/14/70/608591470.db2.gz VVLMZDVRLVQEBA-LLVKDONJSA-N 0 1 387.831 2.359 20 0 GEADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)CCc1ccncc1 ZINC000824045916 608640836 /nfs/dbraw/zinc/64/08/36/608640836.db2.gz PDJSNVLFLRYTES-GFCCVEGCSA-N 0 1 385.859 2.417 20 0 GEADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000826518209 608745331 /nfs/dbraw/zinc/74/53/31/608745331.db2.gz GCPCIEXRGVDDDH-GOSISDBHSA-N 0 1 397.483 2.065 20 0 GEADMN C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546508 609152965 /nfs/dbraw/zinc/15/29/65/609152965.db2.gz JNAONLYDQBKARQ-TVQRCGJNSA-N 0 1 386.353 2.210 20 0 GEADMN Cc1ccncc1[C@H](C)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826314785 609169095 /nfs/dbraw/zinc/16/90/95/609169095.db2.gz MMMZSCSLQSWSEO-KSSFIOAISA-N 0 1 377.452 2.416 20 0 GEADMN CCC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1Cc1ccccc1 ZINC000825254485 609232446 /nfs/dbraw/zinc/23/24/46/609232446.db2.gz SCIKXPFZDDQRQU-KRWDZBQOSA-N 0 1 379.468 2.322 20 0 GEADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826455132 609256547 /nfs/dbraw/zinc/25/65/47/609256547.db2.gz 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1 380.451 2.110 20 0 GEADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000264519593 645688616 /nfs/dbraw/zinc/68/86/16/645688616.db2.gz VUEORHIUDBXVMO-OAHLLOKOSA-N 0 1 387.311 2.475 20 0 GEADMN COCCN1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC000264602355 645695438 /nfs/dbraw/zinc/69/54/38/645695438.db2.gz XVZAKKAWOXXPID-WCQYABFASA-N 0 1 389.265 2.192 20 0 GEADMN COCCN1CCCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000264736830 645709120 /nfs/dbraw/zinc/70/91/20/645709120.db2.gz GDBWAXIOFQYSPK-AWEZNQCLSA-N 0 1 385.302 2.397 20 0 GEADMN CN1CCN(C)[C@H](CNC(=O)NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000264774341 645714644 /nfs/dbraw/zinc/71/46/44/645714644.db2.gz OIDAKJXUIPBULQ-MRXNPFEDSA-N 0 1 395.345 2.373 20 0 GEADMN CN1CCN(C)[C@@H](CNC(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000264818410 645721269 /nfs/dbraw/zinc/72/12/69/645721269.db2.gz XFBDJYCDTFVHDH-KRWDZBQOSA-N 0 1 395.345 2.369 20 0 GEADMN CN1CCN(C)[C@H](CNC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000265341251 645753555 /nfs/dbraw/zinc/75/35/55/645753555.db2.gz ZGEPBYINFCEWIR-IAGOWNOFSA-N 0 1 382.961 2.385 20 0 GEADMN CN(C)[C@H](CNC(=O)C(=O)Nc1nc(C(C)(C)C)ns1)c1cccs1 ZINC000265483747 645762479 /nfs/dbraw/zinc/76/24/79/645762479.db2.gz BAUYDDNTAGJSKH-SNVBAGLBSA-N 0 1 381.527 2.255 20 0 GEADMN Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000266000026 645818186 /nfs/dbraw/zinc/81/81/86/645818186.db2.gz IWFHXERWCRCFFO-HNNXBMFYSA-N 0 1 396.329 2.350 20 0 GEADMN CSCC[C@@H](NC(N)=O)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000266306345 645838236 /nfs/dbraw/zinc/83/82/36/645838236.db2.gz LIWSVVSYVPKQPB-SECBINFHSA-N 0 1 386.275 2.054 20 0 GEADMN Cc1nnc(SCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[nH]1 ZINC000266888461 645864166 /nfs/dbraw/zinc/86/41/66/645864166.db2.gz VPPRWRVPICHQIX-UHFFFAOYSA-N 0 1 377.495 2.033 20 0 GEADMN Cc1n[nH]c(SCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)n1 ZINC000266888461 645864170 /nfs/dbraw/zinc/86/41/70/645864170.db2.gz VPPRWRVPICHQIX-UHFFFAOYSA-N 0 1 377.495 2.033 20 0 GEADMN CS(=O)(=O)Cc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000267017648 645874248 /nfs/dbraw/zinc/87/42/48/645874248.db2.gz OUOGGTACIZEWHW-UHFFFAOYSA-N 0 1 375.522 2.102 20 0 GEADMN O=C(CSc1n[nH]c(=S)s1)NCC(=O)N1CCCc2ccccc21 ZINC000267024321 645874982 /nfs/dbraw/zinc/87/49/82/645874982.db2.gz QLKVRRMHOWBNRD-UHFFFAOYSA-N 0 1 380.520 2.015 20 0 GEADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000267032452 645875920 /nfs/dbraw/zinc/87/59/20/645875920.db2.gz RZNCNYVHDATQGN-WDEREUQCSA-N 0 1 388.584 2.462 20 0 GEADMN O=C(CSc1n[nH]c(=S)s1)NCCCC(=O)N1Cc2ccccc2C1 ZINC000267110826 645883435 /nfs/dbraw/zinc/88/34/35/645883435.db2.gz YOKUDUUCCHHQQH-UHFFFAOYSA-N 0 1 394.547 2.358 20 0 GEADMN O=C(NCCc1nc[nH]n1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000267239049 645891139 /nfs/dbraw/zinc/89/11/39/645891139.db2.gz XGCHRCBHWFHGNZ-ZDUSSCGKSA-N 0 1 382.251 2.075 20 0 GEADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000267297603 645896327 /nfs/dbraw/zinc/89/63/27/645896327.db2.gz TZBRDZPSBSKWCH-ZFWWWQNUSA-N 0 1 382.917 2.262 20 0 GEADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000267297603 645896329 /nfs/dbraw/zinc/89/63/29/645896329.db2.gz TZBRDZPSBSKWCH-ZFWWWQNUSA-N 0 1 382.917 2.262 20 0 GEADMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000268129435 645946497 /nfs/dbraw/zinc/94/64/97/645946497.db2.gz CCYPUGDXWKNVCA-LKFCYVNXSA-N 0 1 384.249 2.126 20 0 GEADMN CN1CCN(c2ccc(NC(=O)c3ccnc(Br)c3)nc2)CC1 ZINC000268167004 645950094 /nfs/dbraw/zinc/95/00/94/645950094.db2.gz RMTJEVPKSBYTMN-UHFFFAOYSA-N 0 1 376.258 2.243 20 0 GEADMN CCS[C@@H]1CCCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000268310959 645958334 /nfs/dbraw/zinc/95/83/34/645958334.db2.gz JWNGRBJJKDSZDQ-CQSZACIVSA-N 0 1 385.555 2.189 20 0 GEADMN C[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000548026540 651061281 /nfs/dbraw/zinc/06/12/81/651061281.db2.gz KKZWBNICWOQFDD-UHFFFAOYSA-N 0 1 375.288 2.061 20 0 GEADMN Cc1n[nH]c([C@H]2CCCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)n1 ZINC000268427970 645966635 /nfs/dbraw/zinc/96/66/35/645966635.db2.gz FDDKRKSUMDDEOP-HZMBPMFUSA-N 0 1 396.264 2.421 20 0 GEADMN Cc1nnc([C@H]2CCCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)[nH]1 ZINC000268427970 645966647 /nfs/dbraw/zinc/96/66/47/645966647.db2.gz FDDKRKSUMDDEOP-HZMBPMFUSA-N 0 1 396.264 2.421 20 0 GEADMN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000268955444 646010160 /nfs/dbraw/zinc/01/01/60/646010160.db2.gz IVXSNCPACMGJDS-AWEZNQCLSA-N 0 1 391.269 2.486 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(Br)c2)n[nH]1 ZINC000269187960 646020886 /nfs/dbraw/zinc/02/08/86/646020886.db2.gz YWTSFMRAPMQNIH-MRVPVSSYSA-N 0 1 383.221 2.306 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(F)c(Br)c2)n[nH]1 ZINC000269187961 646020978 /nfs/dbraw/zinc/02/09/78/646020978.db2.gz YWTSFMRAPMQNIH-QMMMGPOBSA-N 0 1 383.221 2.306 20 0 GEADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(Cl)cc(Br)c1 ZINC000269522115 646045184 /nfs/dbraw/zinc/04/51/84/646045184.db2.gz XVPLQMUNIQDYIQ-ZDUSSCGKSA-N 0 1 388.693 2.172 20 0 GEADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1sc(-c2cccs2)nc1C ZINC000270431178 646107084 /nfs/dbraw/zinc/10/70/84/646107084.db2.gz GAMINIGHESYNKO-NSHDSACASA-N 0 1 376.463 2.417 20 0 GEADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCCCCC1 ZINC000270523725 646115121 /nfs/dbraw/zinc/11/51/21/646115121.db2.gz SEQVMLWOEAKKCW-UHFFFAOYSA-N 0 1 376.500 2.022 20 0 GEADMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(Br)c(F)c2)n[nH]1 ZINC000270583378 646121939 /nfs/dbraw/zinc/12/19/39/646121939.db2.gz QSSHRVOJOFPCCO-SSDOTTSWSA-N 0 1 377.239 2.308 20 0 GEADMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(Br)c(OC)c2)n[nH]1 ZINC000270583243 646122113 /nfs/dbraw/zinc/12/21/13/646122113.db2.gz QOTCRDATHNRMQC-MRVPVSSYSA-N 0 1 389.275 2.178 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2c(F)cccc2Br)n[nH]1 ZINC000270616567 646126019 /nfs/dbraw/zinc/12/60/19/646126019.db2.gz HCNFYCLRXKFSRU-SSDOTTSWSA-N 0 1 384.209 2.085 20 0 GEADMN CC(C)c1nc([C@H](C)NC(=O)CNC(=O)c2cccc(Br)c2)n[nH]1 ZINC000270789037 646138818 /nfs/dbraw/zinc/13/88/18/646138818.db2.gz URKQCGAOVRQILV-JTQLQIEISA-N 0 1 394.273 2.298 20 0 GEADMN COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000270916885 646152385 /nfs/dbraw/zinc/15/23/85/646152385.db2.gz TYIQOXYSRLTZBC-GXFFZTMASA-N 0 1 396.285 2.138 20 0 GEADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000271074503 646170301 /nfs/dbraw/zinc/17/03/01/646170301.db2.gz OTPKTOCOEHBJEJ-OAHLLOKOSA-N 0 1 381.274 2.446 20 0 GEADMN Cc1nnc(SCCC(=O)N[C@@H](CO)c2ccc(Br)cc2)[nH]1 ZINC000271377411 646197778 /nfs/dbraw/zinc/19/77/78/646197778.db2.gz WULAESWBMDUSCA-LBPRGKRZSA-N 0 1 385.287 2.208 20 0 GEADMN C[C@H]1OCC[C@H]1NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000271441467 646206776 /nfs/dbraw/zinc/20/67/76/646206776.db2.gz OIGQYSTUVYNTDD-PRHODGIISA-N 0 1 398.200 2.452 20 0 GEADMN Cc1sc2ncc(C(=O)NC[C@@H](c3ccsc3)N(C)C)c(=O)n2c1C ZINC000271741276 646227048 /nfs/dbraw/zinc/22/70/48/646227048.db2.gz QXJUJZOLZLIAMY-AWEZNQCLSA-N 0 1 376.507 2.467 20 0 GEADMN CC(C)(C)NC(=O)N1CCC(NC(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000271900081 646238401 /nfs/dbraw/zinc/23/84/01/646238401.db2.gz AHPNEXJGKMYOAI-UHFFFAOYSA-N 0 1 389.572 2.008 20 0 GEADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)c(Br)n1 ZINC000271895025 646238545 /nfs/dbraw/zinc/23/85/45/646238545.db2.gz WWTOSCFEZOYLHZ-SNVBAGLBSA-N 0 1 378.230 2.008 20 0 GEADMN Cc1cc(C2CCN(C(=O)CNC(=O)c3ccc(Br)o3)CC2)n[nH]1 ZINC000272144456 646256876 /nfs/dbraw/zinc/25/68/76/646256876.db2.gz VACVFZOQPSERAH-UHFFFAOYSA-N 0 1 395.257 2.210 20 0 GEADMN Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272312353 646265714 /nfs/dbraw/zinc/26/57/14/646265714.db2.gz IZVYZLDQJBDIIF-WFASDCNBSA-N 0 1 380.286 2.249 20 0 GEADMN Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272354422 646268936 /nfs/dbraw/zinc/26/89/36/646268936.db2.gz REMNNSQZJGAOJW-DOMZBBRYSA-N 0 1 380.286 2.249 20 0 GEADMN C[C@@]1(NCc2nnnn2-c2ccccc2Br)CCO[C@H]1C1CC1 ZINC000273014360 646296534 /nfs/dbraw/zinc/29/65/34/646296534.db2.gz CPCSZTRLTRGVOZ-JKSUJKDBSA-N 0 1 378.274 2.472 20 0 GEADMN C[C@@]1(NCc2nnnn2-c2ccccc2Br)CCO[C@@H]1C1CC1 ZINC000273014357 646296787 /nfs/dbraw/zinc/29/67/87/646296787.db2.gz CPCSZTRLTRGVOZ-HZPDHXFCSA-N 0 1 378.274 2.472 20 0 GEADMN CCC(CC)[C@@H]1C[C@H](NS(=O)(=O)c2scnc2C(=O)OC)CCO1 ZINC000274123499 646318550 /nfs/dbraw/zinc/31/85/50/646318550.db2.gz GGWLPDFZNHYTCP-NEPJUHHUSA-N 0 1 376.500 2.192 20 0 GEADMN C[C@@H](CN(C)C(=O)CSCc1ccc(Br)cc1)c1nn[nH]n1 ZINC000274720023 646329150 /nfs/dbraw/zinc/32/91/50/646329150.db2.gz AHRKUHMOKBLXQE-JTQLQIEISA-N 0 1 384.303 2.458 20 0 GEADMN Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@H]1CN(C)CCN1C)CC2 ZINC000275112119 646346245 /nfs/dbraw/zinc/34/62/45/646346245.db2.gz SECBWCCEOHWXNJ-HNNXBMFYSA-N 0 1 395.345 2.071 20 0 GEADMN COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C(=O)[O-] ZINC000276732635 646373034 /nfs/dbraw/zinc/37/30/34/646373034.db2.gz CVYUEIPYCQYMLF-ZWNOBZJWSA-N 0 1 390.889 2.008 20 0 GEADMN Cn1cc([C@@H]2CN(Cc3cc4c(cc3Br)OCO4)C[C@H]2CO)cn1 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570845277 /nfs/dbraw/zinc/84/52/77/570845277.db2.gz BAANYGULWPDCNX-RDJZCZTQSA-N 0 1 392.297 2.325 20 0 GEADMN c1sc(C2CC2)nc1CNC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738413661 598837996 /nfs/dbraw/zinc/83/79/96/598837996.db2.gz TYGIVCDBXZYFMD-UHFFFAOYSA-N 0 1 382.497 2.354 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000737226650 598947639 /nfs/dbraw/zinc/94/76/39/598947639.db2.gz XUJZMPLDRIBBPB-UHFFFAOYSA-N 0 1 398.452 2.302 20 0 GEADMN COc1ccc([C@H](C)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000737074535 598959810 /nfs/dbraw/zinc/95/98/10/598959810.db2.gz XICVXFJXTPIDJH-SJCJKPOMSA-N 0 1 396.426 2.471 20 0 GEADMN CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@@H]1C ZINC000736565744 599007738 /nfs/dbraw/zinc/00/77/38/599007738.db2.gz PLUREDHMXXLTCX-NWDGAFQWSA-N 0 1 398.920 2.013 20 0 GEADMN CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@@H]1C ZINC000736565744 599007740 /nfs/dbraw/zinc/00/77/40/599007740.db2.gz PLUREDHMXXLTCX-NWDGAFQWSA-N 0 1 398.920 2.013 20 0 GEADMN Cc1ccc(-c2n[nH]c(S[C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000737288981 599011812 /nfs/dbraw/zinc/01/18/12/599011812.db2.gz NHTCXVPVJYWVQO-AWEZNQCLSA-N 0 1 392.448 2.279 20 0 GEADMN C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736275822 599022124 /nfs/dbraw/zinc/02/21/24/599022124.db2.gz DNSUCBOMLRERTH-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736275822 599022125 /nfs/dbraw/zinc/02/21/25/599022125.db2.gz DNSUCBOMLRERTH-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736275822 599022127 /nfs/dbraw/zinc/02/21/27/599022127.db2.gz DNSUCBOMLRERTH-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736275822 599022129 /nfs/dbraw/zinc/02/21/29/599022129.db2.gz DNSUCBOMLRERTH-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN NC(=O)[C@@H](NCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735975 599087459 /nfs/dbraw/zinc/08/74/59/599087459.db2.gz FXIJOMFMYASQEQ-HNNXBMFYSA-N 0 1 390.369 2.244 20 0 GEADMN NC(=O)[C@@H](NCCc1csc2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736678 599092662 /nfs/dbraw/zinc/09/26/62/599092662.db2.gz KUOPNBHNAYVRHK-KRWDZBQOSA-N 0 1 378.461 2.440 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000737188778 599107474 /nfs/dbraw/zinc/10/74/74/599107474.db2.gz GOMQBYDRHMIKIF-JQWIXIFHSA-N 0 1 387.513 2.074 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000737188778 599107476 /nfs/dbraw/zinc/10/74/76/599107476.db2.gz GOMQBYDRHMIKIF-JQWIXIFHSA-N 0 1 387.513 2.074 20 0 GEADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(-c5nn[nH]n5)nc4)C3)[nH]c2c1 ZINC000737372664 599109155 /nfs/dbraw/zinc/10/91/55/599109155.db2.gz HQCISSSBQAJUMT-CQSZACIVSA-N 0 1 388.435 2.466 20 0 GEADMN CN(C)[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1cccs1 ZINC000821579481 599157365 /nfs/dbraw/zinc/15/73/65/599157365.db2.gz CHLRDPQBNIXCJG-AWEZNQCLSA-N 0 1 389.460 2.169 20 0 GEADMN CC(C)(C)c1nc(-c2nn[nH]n2)c(NNC(=S)NC(C2CC2)C2CC2)o1 ZINC000735655669 599157930 /nfs/dbraw/zinc/15/79/30/599157930.db2.gz BXVACORMUAZGGV-UHFFFAOYSA-N 0 1 376.490 2.132 20 0 GEADMN O=C(COc1ccccc1CNCc1ccc(-c2nn[nH]n2)cc1)NCC1CC1 ZINC000737932596 599177271 /nfs/dbraw/zinc/17/72/71/599177271.db2.gz ZHFSWUSFHLQLQS-UHFFFAOYSA-N 0 1 392.463 2.062 20 0 GEADMN O[C@@H](CN1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738380254 599205148 /nfs/dbraw/zinc/20/51/48/599205148.db2.gz FNYVFTNURZQSSX-SFHVURJKSA-N 0 1 384.871 2.376 20 0 GEADMN COc1ccc(Cl)c(NC(=S)NNc2oc(C)nc2-c2nn[nH]n2)c1 ZINC000821824187 599226267 /nfs/dbraw/zinc/22/62/67/599226267.db2.gz KEQOBBKRKFOHNN-UHFFFAOYSA-N 0 1 380.821 2.139 20 0 GEADMN CC[N@@H+]1CCc2nc(NC(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)sc2C1 ZINC000739461802 596965428 /nfs/dbraw/zinc/96/54/28/596965428.db2.gz MAOFHDIVWMNWIX-HNNXBMFYSA-N 0 1 399.476 2.179 20 0 GEADMN CC[N@H+]1CCc2nc(NC(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)sc2C1 ZINC000739461802 596965430 /nfs/dbraw/zinc/96/54/30/596965430.db2.gz MAOFHDIVWMNWIX-HNNXBMFYSA-N 0 1 399.476 2.179 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000676232413 597069542 /nfs/dbraw/zinc/06/95/42/597069542.db2.gz BBNBRPOUMQVNAG-OAHLLOKOSA-N 0 1 385.464 2.471 20 0 GEADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818339313 597080605 /nfs/dbraw/zinc/08/06/05/597080605.db2.gz OBHAJKHWAYKFOA-HZPDHXFCSA-N 0 1 389.496 2.221 20 0 GEADMN COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000532881998 597083712 /nfs/dbraw/zinc/08/37/12/597083712.db2.gz TZYNMTGVCSJHQD-GJZGRUSLSA-N 0 1 378.469 2.237 20 0 GEADMN O=C([O-])CSCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571921070 597101618 /nfs/dbraw/zinc/10/16/18/597101618.db2.gz YNGIADBYZGXFEP-CYBMUJFWSA-N 0 1 376.400 2.214 20 0 GEADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000737739036 597195613 /nfs/dbraw/zinc/19/56/13/597195613.db2.gz LURPPDSTUMZXQL-CALCHBBNSA-N 0 1 388.512 2.336 20 0 GEADMN CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)cn1 ZINC000737917270 597201765 /nfs/dbraw/zinc/20/17/65/597201765.db2.gz PCSGKTNYJXGRFS-UHFFFAOYSA-N 0 1 385.468 2.270 20 0 GEADMN CCn1cc(C[N@H+]2CCCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)cn1 ZINC000737917270 597201769 /nfs/dbraw/zinc/20/17/69/597201769.db2.gz PCSGKTNYJXGRFS-UHFFFAOYSA-N 0 1 385.468 2.270 20 0 GEADMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CSCC(=O)[O-] ZINC000818970519 597279746 /nfs/dbraw/zinc/27/97/46/597279746.db2.gz FVVZAYUUZVREKD-INIZCTEOSA-N 0 1 388.493 2.395 20 0 GEADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000819618484 597330767 /nfs/dbraw/zinc/33/07/67/597330767.db2.gz YXHWQLWFEMTIPL-NRFANRHFSA-N 0 1 383.448 2.072 20 0 GEADMN CC[C@H](C)[C@H](NC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)C(=O)[O-] ZINC000820443686 597402222 /nfs/dbraw/zinc/40/22/22/597402222.db2.gz PNSUIFICPAGBNA-YOEHRIQHSA-N 0 1 390.484 2.085 20 0 GEADMN O=C([O-])[C@H]1CC[N@H+]([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000262652895 597529722 /nfs/dbraw/zinc/52/97/22/597529722.db2.gz LPVIYWNKTFJUMC-LPHOPBHVSA-N 0 1 382.416 2.179 20 0 GEADMN CCOc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)ccc1OCC(=O)N1CCCCC1 ZINC000820382969 598129482 /nfs/dbraw/zinc/12/94/82/598129482.db2.gz KLIJNBFRPYMFEI-QGZVFWFLSA-N 0 1 390.480 2.383 20 0 GEADMN CCC(CC)N(CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000736345177 598233120 /nfs/dbraw/zinc/23/31/20/598233120.db2.gz FRVMDUPBFDMKEZ-HXUWFJFHSA-N 0 1 397.483 2.244 20 0 GEADMN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736908622 598250014 /nfs/dbraw/zinc/25/00/14/598250014.db2.gz HBXCISNCTBRLNA-UNEWFSDZSA-N 0 1 380.452 2.426 20 0 GEADMN CC(C)COC(=O)N1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735839526 598254751 /nfs/dbraw/zinc/25/47/51/598254751.db2.gz XGHLELBEDUITKR-UHFFFAOYSA-N 0 1 388.472 2.046 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3c2cccc3C)cc1-c1nn[nH]n1 ZINC000737188105 598260785 /nfs/dbraw/zinc/26/07/85/598260785.db2.gz YURGYWIZZCDYDI-CQSZACIVSA-N 0 1 382.449 2.415 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000737289988 598265928 /nfs/dbraw/zinc/26/59/28/598265928.db2.gz AQPKEJZBLLROJY-UHFFFAOYSA-N 0 1 399.499 2.141 20 0 GEADMN O=C(c1ccc(O)c(Cl)c1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738269787 598287315 /nfs/dbraw/zinc/28/73/15/598287315.db2.gz XYJCPYLKAYKCOF-UHFFFAOYSA-N 0 1 384.827 2.188 20 0 GEADMN CN(C)[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000736757799 598324016 /nfs/dbraw/zinc/32/40/16/598324016.db2.gz DIYHDUFJKLVHEB-CQSZACIVSA-N 0 1 389.460 2.169 20 0 GEADMN O=C(c1cccc(F)c1F)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738274652 598331048 /nfs/dbraw/zinc/33/10/48/598331048.db2.gz UNXVZZIHEXVAAN-UHFFFAOYSA-N 0 1 398.417 2.493 20 0 GEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737233352 598332051 /nfs/dbraw/zinc/33/20/51/598332051.db2.gz DRMYZWYGDQECRD-UHFFFAOYSA-N 0 1 388.435 2.014 20 0 GEADMN CCN1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736569325 598357774 /nfs/dbraw/zinc/35/77/74/598357774.db2.gz FXJDBQDVRJVUCJ-INIZCTEOSA-N 0 1 396.451 2.253 20 0 GEADMN C[C@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CCN1C[C@H](O)c1ccccc1 ZINC000736291006 598364381 /nfs/dbraw/zinc/36/43/81/598364381.db2.gz TVVZPCDKXVLTLZ-YWZLYKJASA-N 0 1 396.470 2.246 20 0 GEADMN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737510745 598368423 /nfs/dbraw/zinc/36/84/23/598368423.db2.gz NABFENKVJFJDPX-PBHICJAKSA-N 0 1 394.483 2.381 20 0 GEADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCc2ccc(O)cc2CC1 ZINC000735559890 598373917 /nfs/dbraw/zinc/37/39/17/598373917.db2.gz ASJSEQOEFURHJL-CYBMUJFWSA-N 0 1 378.436 2.000 20 0 GEADMN CN1CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)CC1 ZINC000736861081 598375864 /nfs/dbraw/zinc/37/58/64/598375864.db2.gz YGEHAHUZAAAVRU-UHFFFAOYSA-N 0 1 398.496 2.083 20 0 GEADMN O=S(=O)(Nc1ccc(OC2CCCC2)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738341091 598382507 /nfs/dbraw/zinc/38/25/07/598382507.db2.gz FJARCGQDSIZEIO-UHFFFAOYSA-N 0 1 386.437 2.384 20 0 GEADMN CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573671 607354279 /nfs/dbraw/zinc/35/42/79/607354279.db2.gz ZLKIVFOCKNIPIL-UHFFFAOYSA-N 0 1 393.451 2.013 20 0 GEADMN CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573671 607354281 /nfs/dbraw/zinc/35/42/81/607354281.db2.gz ZLKIVFOCKNIPIL-UHFFFAOYSA-N 0 1 393.451 2.013 20 0 GEADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC000736275236 598458988 /nfs/dbraw/zinc/45/89/88/598458988.db2.gz AUPXLVATFFWPAS-HNNXBMFYSA-N 0 1 391.479 2.424 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NC1CCCCCCC1 ZINC000737982861 598504835 /nfs/dbraw/zinc/50/48/35/598504835.db2.gz SLGPIGDBJSEOGZ-UHFFFAOYSA-N 0 1 380.452 2.411 20 0 GEADMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000728506601 598519140 /nfs/dbraw/zinc/51/91/40/598519140.db2.gz VTOFGTMUKXUEOM-UHFFFAOYSA-N 0 1 387.421 2.234 20 0 GEADMN CC(C)CN(CC(=O)NCc1ccccn1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735827528 598523440 /nfs/dbraw/zinc/52/34/40/598523440.db2.gz OWKXHHFNLYWFNR-UHFFFAOYSA-N 0 1 379.468 2.036 20 0 GEADMN CCN1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000736568995 598557452 /nfs/dbraw/zinc/55/74/52/598557452.db2.gz HALGDQBEFHDZKH-UHFFFAOYSA-N 0 1 396.451 2.207 20 0 GEADMN CCNC(=O)[C@@H](C)NCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736573493 598560466 /nfs/dbraw/zinc/56/04/66/598560466.db2.gz IZLSKJYPDYNVEE-CQSZACIVSA-N 0 1 380.452 2.060 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000737186674 598606276 /nfs/dbraw/zinc/60/62/76/598606276.db2.gz KQQVSRFMFMPFDF-LBPRGKRZSA-N 0 1 397.464 2.016 20 0 GEADMN O=C(C[N@@H+]1CCC[C@H]1C1CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737874862 598615086 /nfs/dbraw/zinc/61/50/86/598615086.db2.gz AKFQPPMAJZVQLC-KRWDZBQOSA-N 0 1 392.467 2.255 20 0 GEADMN O=C(C[N@H+]1CCC[C@H]1C1CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737874862 598615087 /nfs/dbraw/zinc/61/50/87/598615087.db2.gz AKFQPPMAJZVQLC-KRWDZBQOSA-N 0 1 392.467 2.255 20 0 GEADMN CN(C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cccs1 ZINC000736760131 598624463 /nfs/dbraw/zinc/62/44/63/598624463.db2.gz PLJSHGNNDRZKPI-ZDUSSCGKSA-N 0 1 375.433 2.492 20 0 GEADMN COc1ccc(-c2nc(Cn3cccc(-c4nn[nH]n4)c3=O)cs2)cc1OC ZINC000737057045 598675700 /nfs/dbraw/zinc/67/57/00/598675700.db2.gz OBYPBEMXMNUOSW-UHFFFAOYSA-N 0 1 396.432 2.217 20 0 GEADMN C[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737194705 598708039 /nfs/dbraw/zinc/70/80/39/598708039.db2.gz RBICSEIUIDWIET-MRXNPFEDSA-N 0 1 391.479 2.012 20 0 GEADMN CN(CC1CCCCC1)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736791640 598719232 /nfs/dbraw/zinc/71/92/32/598719232.db2.gz BNDGQHZLNZLHSK-UHFFFAOYSA-N 0 1 380.452 2.220 20 0 GEADMN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736296228 598719352 /nfs/dbraw/zinc/71/93/52/598719352.db2.gz GTKDUUFVJQOXRJ-CYBMUJFWSA-N 0 1 386.415 2.159 20 0 GEADMN O=C(c1nnc2ccccc2c1O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738292298 598719620 /nfs/dbraw/zinc/71/96/20/598719620.db2.gz MPVZSRRWQTVRJC-UHFFFAOYSA-N 0 1 387.403 2.320 20 0 GEADMN CC(C)(C)CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000735601704 598720523 /nfs/dbraw/zinc/72/05/23/598720523.db2.gz AJYGPSZTWCHEGD-UHFFFAOYSA-N 0 1 388.859 2.387 20 0 GEADMN Fc1cc(F)c2ncc(-c3nn[nH]n3)c(NCCCCN3CCOCC3)c2c1 ZINC000737643853 598770778 /nfs/dbraw/zinc/77/07/78/598770778.db2.gz GQRPPQDAXZFVPS-UHFFFAOYSA-N 0 1 389.410 2.217 20 0 GEADMN CCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000736701389 599292637 /nfs/dbraw/zinc/29/26/37/599292637.db2.gz BFVPWJDSIYJLQX-KRWDZBQOSA-N 0 1 395.467 2.040 20 0 GEADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000820404394 599372205 /nfs/dbraw/zinc/37/22/05/599372205.db2.gz UNCLWUGYWMZTMW-GJZGRUSLSA-N 0 1 376.464 2.491 20 0 GEADMN CCn1cc(CN2CCCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)cn1 ZINC000736721340 599431461 /nfs/dbraw/zinc/43/14/61/599431461.db2.gz CVRBPRVZUPHPED-UHFFFAOYSA-N 0 1 386.891 2.449 20 0 GEADMN O[C@H](C[NH+]1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC000823673290 599535699 /nfs/dbraw/zinc/53/56/99/599535699.db2.gz KDQMOYBUJKRTOJ-GOSISDBHSA-N 0 1 379.468 2.119 20 0 GEADMN O[C@H](C[NH+]1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC000823673290 599535700 /nfs/dbraw/zinc/53/57/00/599535700.db2.gz KDQMOYBUJKRTOJ-GOSISDBHSA-N 0 1 379.468 2.119 20 0 GEADMN COc1ccc2c(c1)[nH]cc(C(=O)N[C@@H](C)c1cccc(-c3nn[nH]n3)c1)c2=O ZINC000821850218 599553391 /nfs/dbraw/zinc/55/33/91/599553391.db2.gz ZPXHEMITUWMNKD-NSHDSACASA-N 0 1 390.403 2.208 20 0 GEADMN CC[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736401342 599581340 /nfs/dbraw/zinc/58/13/40/599581340.db2.gz IOHGNAVZFQJBGH-HNNXBMFYSA-N 0 1 397.483 2.101 20 0 GEADMN O=C(CN1CC[C@H](COCc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993325 599641992 /nfs/dbraw/zinc/64/19/92/599641992.db2.gz REGAAHJVXHLPNZ-KRWDZBQOSA-N 0 1 392.463 2.344 20 0 GEADMN O=C([O-])c1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1 ZINC000740104966 599705274 /nfs/dbraw/zinc/70/52/74/599705274.db2.gz FWSKXVSNPVTXNL-UHFFFAOYSA-N 0 1 383.448 2.145 20 0 GEADMN COC(=O)c1ccc2c(c1)nc(C[N@H+]1[C@@H]3CCCC[C@@H]3C[C@H]1C(=O)[O-])[nH]c2=O ZINC000516869984 599712512 /nfs/dbraw/zinc/71/25/12/599712512.db2.gz SXZOMTMLEZQYND-LYRGGWFBSA-N 0 1 385.420 2.340 20 0 GEADMN O=C([O-])c1ccc(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000740121188 599722377 /nfs/dbraw/zinc/72/23/77/599722377.db2.gz FBZRQRCXEWZWSM-HXUWFJFHSA-N 0 1 382.460 2.242 20 0 GEADMN Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000738773207 599769897 /nfs/dbraw/zinc/76/98/97/599769897.db2.gz PNCZJCIZENWXRM-UHFFFAOYSA-N 0 1 378.450 2.183 20 0 GEADMN Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000738773207 599769899 /nfs/dbraw/zinc/76/98/99/599769899.db2.gz PNCZJCIZENWXRM-UHFFFAOYSA-N 0 1 378.450 2.183 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC000738887222 599774851 /nfs/dbraw/zinc/77/48/51/599774851.db2.gz LWTOMBFKFALXMP-UHFFFAOYSA-N 0 1 379.369 2.090 20 0 GEADMN CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736952975 599784733 /nfs/dbraw/zinc/78/47/33/599784733.db2.gz YRKBAUHASBKDLV-INIZCTEOSA-N 0 1 390.484 2.021 20 0 GEADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736952995 599785574 /nfs/dbraw/zinc/78/55/74/599785574.db2.gz ZDZTYPZOSLBWMT-NVXWUHKLSA-N 0 1 389.496 2.018 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000738530069 599785690 /nfs/dbraw/zinc/78/56/90/599785690.db2.gz BZGVGVOZDFSVLQ-OAHLLOKOSA-N 0 1 375.469 2.116 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000738530069 599785692 /nfs/dbraw/zinc/78/56/92/599785692.db2.gz BZGVGVOZDFSVLQ-OAHLLOKOSA-N 0 1 375.469 2.116 20 0 GEADMN CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000736878942 599786019 /nfs/dbraw/zinc/78/60/19/599786019.db2.gz ODAIXRDYCMPRHS-FZKQIMNGSA-N 0 1 393.459 2.092 20 0 GEADMN CC[C@H](C)[C@@H](NC(=O)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736886047 599796720 /nfs/dbraw/zinc/79/67/20/599796720.db2.gz ORCVAQFPHYSIQN-QFBILLFUSA-N 0 1 375.513 2.198 20 0 GEADMN CC(C)Cn1c(N2CCOCC2)nn(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000736454938 599839293 /nfs/dbraw/zinc/83/92/93/599839293.db2.gz IMYIUEHOPSVLKY-HNNXBMFYSA-N 0 1 397.545 2.193 20 0 GEADMN CC(C)Cn1c(N2CCOCC2)nn(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000736454938 599839294 /nfs/dbraw/zinc/83/92/94/599839294.db2.gz IMYIUEHOPSVLKY-HNNXBMFYSA-N 0 1 397.545 2.193 20 0 GEADMN O=C([O-])CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000739734973 599852488 /nfs/dbraw/zinc/85/24/88/599852488.db2.gz QLYJNKZWWOFUQL-CYBMUJFWSA-N 0 1 392.843 2.160 20 0 GEADMN O=C([O-])CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000739734973 599852489 /nfs/dbraw/zinc/85/24/89/599852489.db2.gz QLYJNKZWWOFUQL-CYBMUJFWSA-N 0 1 392.843 2.160 20 0 GEADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCSCC(=O)[O-])CC1 ZINC000717618996 599898293 /nfs/dbraw/zinc/89/82/93/599898293.db2.gz DUTPCYZSCXQJCB-UHFFFAOYSA-N 0 1 379.526 2.358 20 0 GEADMN C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000737515085 599905122 /nfs/dbraw/zinc/90/51/22/599905122.db2.gz GESJQIHPMAPRFK-UHFFFAOYSA-N 0 1 396.447 2.094 20 0 GEADMN CC[NH+]1CCN(c2ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)cc2F)CC1 ZINC000737114476 599914573 /nfs/dbraw/zinc/91/45/73/599914573.db2.gz AUNWYIDTXKGVJQ-CQSZACIVSA-N 0 1 377.460 2.293 20 0 GEADMN CCOc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1OCC(=O)[O-] ZINC000737185982 599930767 /nfs/dbraw/zinc/93/07/67/599930767.db2.gz SDDNLPNTBDRFON-LSDHHAIUSA-N 0 1 378.469 2.399 20 0 GEADMN C[C@H](C[N@@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C1CC1)C(=O)[O-] ZINC000736580028 599946870 /nfs/dbraw/zinc/94/68/70/599946870.db2.gz WQEMPPLXGMAWKI-OAHLLOKOSA-N 0 1 393.915 2.169 20 0 GEADMN CC(C)[C@H](NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 ZINC000736579185 599950838 /nfs/dbraw/zinc/95/08/38/599950838.db2.gz QONGDCLRJGACCA-XOBRGWDASA-N 0 1 390.480 2.456 20 0 GEADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000736751202 599957407 /nfs/dbraw/zinc/95/74/07/599957407.db2.gz UNIGWCIQUKQHNY-OWCLPIDISA-N 0 1 377.485 2.429 20 0 GEADMN O=C([O-])c1ccc(OCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739428196 599957997 /nfs/dbraw/zinc/95/79/97/599957997.db2.gz DMQSOGJNAMITLA-SFHVURJKSA-N 0 1 383.448 2.337 20 0 GEADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736995899 599958439 /nfs/dbraw/zinc/95/84/39/599958439.db2.gz QTZABRNUSYNTKT-QGZVFWFLSA-N 0 1 390.484 2.277 20 0 GEADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000737505495 599970428 /nfs/dbraw/zinc/97/04/28/599970428.db2.gz LNMMISWTLJZHOP-APWZRJJASA-N 0 1 395.463 2.083 20 0 GEADMN O=C(CC1CCCC1)NC1CC[NH+](CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000739219938 599977806 /nfs/dbraw/zinc/97/78/06/599977806.db2.gz ZEATZEOGNAJMLB-UHFFFAOYSA-N 0 1 393.528 2.051 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)NCCc3ccc(C(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408868 599979049 /nfs/dbraw/zinc/97/90/49/599979049.db2.gz PLEWRSWEDUGOIY-SFHVURJKSA-N 0 1 397.479 2.302 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)NCCCCCCC(=O)[O-])C2)nc(C)[nH+]1 ZINC000738408920 599981581 /nfs/dbraw/zinc/98/15/81/599981581.db2.gz QJHMFXGQOCRMOA-INIZCTEOSA-N 0 1 377.489 2.397 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)NC3CCC(C(=O)[O-])CC3)C2)nc(C)[nH+]1 ZINC000738232254 599981617 /nfs/dbraw/zinc/98/16/17/599981617.db2.gz YLCFNYZEJDFJBB-GPANFISMSA-N 0 1 375.473 2.005 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000740175087 599986366 /nfs/dbraw/zinc/98/63/66/599986366.db2.gz DQGUKEPBIYXJBB-HNNXBMFYSA-N 0 1 394.518 2.289 20 0 GEADMN O=C([O-])Nc1cccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000740036908 599998354 /nfs/dbraw/zinc/99/83/54/599998354.db2.gz QICVQNSYGUGFQZ-UHFFFAOYSA-N 0 1 397.431 2.278 20 0 GEADMN COc1ccc(C[N@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1C ZINC000737996550 600003738 /nfs/dbraw/zinc/00/37/38/600003738.db2.gz ZFBBENMJHCKNOP-LJQANCHMSA-N 0 1 382.460 2.474 20 0 GEADMN COc1ccc(C[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1C ZINC000737996550 600003740 /nfs/dbraw/zinc/00/37/40/600003740.db2.gz ZFBBENMJHCKNOP-LJQANCHMSA-N 0 1 382.460 2.474 20 0 GEADMN Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000738415221 600043992 /nfs/dbraw/zinc/04/39/92/600043992.db2.gz IBRKRNAOMXYQJM-UHFFFAOYSA-N 0 1 395.459 2.196 20 0 GEADMN Cc1cccc(C[C@H](CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])c1 ZINC000738697862 600064234 /nfs/dbraw/zinc/06/42/34/600064234.db2.gz CMXKZKGLIFFGGT-BWPNAZKDSA-N 0 1 390.524 2.488 20 0 GEADMN Cc1cccc(C[C@H](CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])c1 ZINC000738697862 600064238 /nfs/dbraw/zinc/06/42/38/600064238.db2.gz CMXKZKGLIFFGGT-BWPNAZKDSA-N 0 1 390.524 2.488 20 0 GEADMN Cc1cccc(C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C(=O)[O-])c1 ZINC000738697863 600064444 /nfs/dbraw/zinc/06/44/44/600064444.db2.gz CMXKZKGLIFFGGT-LFGUQSLTSA-N 0 1 390.524 2.488 20 0 GEADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000738153975 600085773 /nfs/dbraw/zinc/08/57/73/600085773.db2.gz PYUZXGFICCGJJV-CQSZACIVSA-N 0 1 384.436 2.258 20 0 GEADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000738153975 600085776 /nfs/dbraw/zinc/08/57/76/600085776.db2.gz PYUZXGFICCGJJV-CQSZACIVSA-N 0 1 384.436 2.258 20 0 GEADMN CN1CC[NH+](Cc2ccc(CNC(=O)CCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000737529206 600087310 /nfs/dbraw/zinc/08/73/10/600087310.db2.gz UGAZTESTLQGULO-UHFFFAOYSA-N 0 1 395.503 2.381 20 0 GEADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000740025763 600096068 /nfs/dbraw/zinc/09/60/68/600096068.db2.gz WPCSSZIGZWJUGN-MRXNPFEDSA-N 0 1 383.452 2.222 20 0 GEADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000568059534 600096299 /nfs/dbraw/zinc/09/62/99/600096299.db2.gz DLYQHOCMPSZFRT-UHFFFAOYSA-N 0 1 384.480 2.264 20 0 GEADMN CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)C(=O)[O-] ZINC000736880265 600128383 /nfs/dbraw/zinc/12/83/83/600128383.db2.gz VQMVZJKBTAHCCR-RDTXWAMCSA-N 0 1 399.495 2.267 20 0 GEADMN CC[C@]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)(C(=O)[O-])c1ccccc1 ZINC000736919039 600131897 /nfs/dbraw/zinc/13/18/97/600131897.db2.gz WMXKKLGUQVFDJR-PTSWNOGYSA-N 0 1 375.469 2.371 20 0 GEADMN COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000262610862 600132686 /nfs/dbraw/zinc/13/26/86/600132686.db2.gz AQJXGTUCJSIFIH-HZPDHXFCSA-N 0 1 376.453 2.164 20 0 GEADMN CC[C@](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)(C(=O)[O-])c1ccccc1 ZINC000736908485 600133774 /nfs/dbraw/zinc/13/37/74/600133774.db2.gz YHSNHBQSUJVQPN-OAQYLSRUSA-N 0 1 384.480 2.138 20 0 GEADMN Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNC2(C(=O)[O-])CCCCC2)CC1 ZINC000738770362 600148329 /nfs/dbraw/zinc/14/83/29/600148329.db2.gz HSVWOGZPIPELQL-UHFFFAOYSA-N 0 1 387.524 2.406 20 0 GEADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CNC2(C(=O)[O-])CCCCC2)CC1 ZINC000738770362 600148330 /nfs/dbraw/zinc/14/83/30/600148330.db2.gz HSVWOGZPIPELQL-UHFFFAOYSA-N 0 1 387.524 2.406 20 0 GEADMN C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCC(=O)NCC(=O)[O-])OCCO3 ZINC000736837832 600158697 /nfs/dbraw/zinc/15/86/97/600158697.db2.gz OCLIZKIIADTHMJ-AWEZNQCLSA-N 0 1 388.464 2.237 20 0 GEADMN CC[C@](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)(C(=O)[O-])c1ccccc1 ZINC000736910379 600258552 /nfs/dbraw/zinc/25/85/52/600258552.db2.gz KBNWXMFPLQOTAS-HSZRJFAPSA-N 0 1 395.503 2.311 20 0 GEADMN O=C([O-])Cc1csc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000738632026 600262790 /nfs/dbraw/zinc/26/27/90/600262790.db2.gz LHJKRATZFCPJJU-CYBMUJFWSA-N 0 1 377.441 2.412 20 0 GEADMN O=C([O-])Cc1csc(NC(=O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000738632026 600262791 /nfs/dbraw/zinc/26/27/91/600262791.db2.gz LHJKRATZFCPJJU-CYBMUJFWSA-N 0 1 377.441 2.412 20 0 GEADMN CCOCC[N@H+]1CCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@H]1CC ZINC000737176872 600270203 /nfs/dbraw/zinc/27/02/03/600270203.db2.gz SFRWXBPESVXHMA-MRXNPFEDSA-N 0 1 393.484 2.036 20 0 GEADMN Cc1ccc(N2CCC[C@H]([N@H+](C)CC(=O)N(C)c3ccccc3C(=O)[O-])C2)nn1 ZINC000738614203 600274483 /nfs/dbraw/zinc/27/44/83/600274483.db2.gz JQJXHMKUCHXJLD-INIZCTEOSA-N 0 1 397.479 2.047 20 0 GEADMN C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736782347 600283809 /nfs/dbraw/zinc/28/38/09/600283809.db2.gz BQPKZGVUWWWTAU-LLVKDONJSA-N 0 1 394.497 2.246 20 0 GEADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000736790035 600285805 /nfs/dbraw/zinc/28/58/05/600285805.db2.gz SNKIMXLSIPUWEX-LSDHHAIUSA-N 0 1 394.541 2.295 20 0 GEADMN CCOC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC000737161273 600286187 /nfs/dbraw/zinc/28/61/87/600286187.db2.gz FYMGGPZWZULWEL-KGLIPLIRSA-N 0 1 392.452 2.247 20 0 GEADMN COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1sc3c(c1C(=O)[O-])CCC3)CC2 ZINC000737578460 600304496 /nfs/dbraw/zinc/30/44/96/600304496.db2.gz CSIVPHQTVSPPBY-LBPRGKRZSA-N 0 1 392.477 2.149 20 0 GEADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738039767 600306582 /nfs/dbraw/zinc/30/65/82/600306582.db2.gz OKDPOAKKHCKUKY-WFASDCNBSA-N 0 1 389.452 2.167 20 0 GEADMN COc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)C2=O)cc1Cl ZINC000738017349 600315187 /nfs/dbraw/zinc/31/51/87/600315187.db2.gz IXEQFXGSAOPGNS-OCCSQVGLSA-N 0 1 392.839 2.167 20 0 GEADMN COC(=O)c1sc(NC(=O)CC[N@H+]2CCCOC(C)(C)C2)c(C(=O)[O-])c1C ZINC000737719113 600320336 /nfs/dbraw/zinc/32/03/36/600320336.db2.gz LTGZXDXDSOZDQG-UHFFFAOYSA-N 0 1 398.481 2.371 20 0 GEADMN Cc1cc(=O)n2nc(C[N@@H+](CCC(=O)[O-])Cc3ccc(F)c(F)c3)sc2n1 ZINC000738313980 600328481 /nfs/dbraw/zinc/32/84/81/600328481.db2.gz GRLZSPLDUZTKKT-UHFFFAOYSA-N 0 1 394.403 2.215 20 0 GEADMN COCC[N@@H+]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000737813915 600338377 /nfs/dbraw/zinc/33/83/77/600338377.db2.gz SWYNMDCAJWFERI-CQSZACIVSA-N 0 1 379.457 2.356 20 0 GEADMN COCC[N@H+]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000737813915 600338381 /nfs/dbraw/zinc/33/83/81/600338381.db2.gz SWYNMDCAJWFERI-CQSZACIVSA-N 0 1 379.457 2.356 20 0 GEADMN CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000736938617 600346626 /nfs/dbraw/zinc/34/66/26/600346626.db2.gz ISAFXNFBRLHBSQ-HNNXBMFYSA-N 0 1 398.525 2.329 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000736587890 600370923 /nfs/dbraw/zinc/37/09/23/600370923.db2.gz HATULHFFUKVTNB-OAHLLOKOSA-N 0 1 398.463 2.029 20 0 GEADMN COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000737562008 600374795 /nfs/dbraw/zinc/37/47/95/600374795.db2.gz JEFKVFBFOYTGLS-MRVPVSSYSA-N 0 1 377.224 2.371 20 0 GEADMN COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000737562008 600374798 /nfs/dbraw/zinc/37/47/98/600374798.db2.gz JEFKVFBFOYTGLS-MRVPVSSYSA-N 0 1 377.224 2.371 20 0 GEADMN C[NH+]1CCN([C@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737515108 600386033 /nfs/dbraw/zinc/38/60/33/600386033.db2.gz GWHOUSFBROSZQV-FQEVSTJZSA-N 0 1 396.491 2.424 20 0 GEADMN NC(=O)c1ccc(C[NH+]2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000739176558 600401055 /nfs/dbraw/zinc/40/10/55/600401055.db2.gz HVYHRMMYQIVSTG-GOSISDBHSA-N 0 1 387.867 2.382 20 0 GEADMN COc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)[O-])c3ccccc3)CC2)c(OC)c1 ZINC000737921856 600401427 /nfs/dbraw/zinc/40/14/27/600401427.db2.gz AURDJKSGWZIEHO-LJQANCHMSA-N 0 1 384.432 2.288 20 0 GEADMN CCOCC[NH+]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000737177649 600407230 /nfs/dbraw/zinc/40/72/30/600407230.db2.gz YPXXFNQUPJPFBA-UHFFFAOYSA-N 0 1 387.383 2.172 20 0 GEADMN Cc1nc(C[NH+]2CCC(CNC(=O)N3CCC(CC(=O)[O-])CC3)CC2)oc1C ZINC000738348149 600413952 /nfs/dbraw/zinc/41/39/52/600413952.db2.gz FPEWWDUSNUBYHD-UHFFFAOYSA-N 0 1 392.500 2.400 20 0 GEADMN C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(C(=O)[O-])cc1 ZINC000737441924 600437170 /nfs/dbraw/zinc/43/71/70/600437170.db2.gz QVJJXAIZOVLCKW-UHFFFAOYSA-N 0 1 377.485 2.369 20 0 GEADMN COC(=O)c1cc(NC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cc(C(=O)[O-])c1 ZINC000737662489 600465763 /nfs/dbraw/zinc/46/57/63/600465763.db2.gz OZXBRBQHRFMRDF-CVEARBPZSA-N 0 1 375.425 2.262 20 0 GEADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000570953429 600468193 /nfs/dbraw/zinc/46/81/93/600468193.db2.gz QIXJJQRZCCECBC-INIZCTEOSA-N 0 1 375.469 2.403 20 0 GEADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736993254 600469065 /nfs/dbraw/zinc/46/90/65/600469065.db2.gz AEQKVUWEOJLWTR-MRXNPFEDSA-N 0 1 376.457 2.486 20 0 GEADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737346899 600508466 /nfs/dbraw/zinc/50/84/66/600508466.db2.gz FPTKTMLCCHKGIB-HNNXBMFYSA-N 0 1 396.875 2.102 20 0 GEADMN O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390543496 600517896 /nfs/dbraw/zinc/51/78/96/600517896.db2.gz MBLDQLZSLYJDNQ-MRXNPFEDSA-N 0 1 392.452 2.467 20 0 GEADMN O=C([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390568524 600518053 /nfs/dbraw/zinc/51/80/53/600518053.db2.gz UMSYYUDFQOTYGU-IBGZPJMESA-N 0 1 388.489 2.469 20 0 GEADMN CN(C(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1C(=O)[O-] ZINC000737325163 600546538 /nfs/dbraw/zinc/54/65/38/600546538.db2.gz ZGPFUHVDGNJBMZ-OAHLLOKOSA-N 0 1 389.496 2.222 20 0 GEADMN CN(C(=O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1C(=O)[O-] ZINC000737325163 600546540 /nfs/dbraw/zinc/54/65/40/600546540.db2.gz ZGPFUHVDGNJBMZ-OAHLLOKOSA-N 0 1 389.496 2.222 20 0 GEADMN O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000738665080 600550027 /nfs/dbraw/zinc/55/00/27/600550027.db2.gz QNBBZHRUGXPARC-SFHVURJKSA-N 0 1 396.447 2.496 20 0 GEADMN CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000737117523 600554186 /nfs/dbraw/zinc/55/41/86/600554186.db2.gz WBMCYBOFCVIBRZ-INIZCTEOSA-N 0 1 391.516 2.192 20 0 GEADMN O=C([O-])CCCc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)s1 ZINC000739703249 600555235 /nfs/dbraw/zinc/55/52/35/600555235.db2.gz VZHKMIUUVKIYBO-AWEZNQCLSA-N 0 1 389.481 2.191 20 0 GEADMN O=C([O-])CCCc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)s1 ZINC000739703249 600555238 /nfs/dbraw/zinc/55/52/38/600555238.db2.gz VZHKMIUUVKIYBO-AWEZNQCLSA-N 0 1 389.481 2.191 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(C)c1C(=O)[O-] ZINC000738236607 600555378 /nfs/dbraw/zinc/55/53/78/600555378.db2.gz NKSDEJTYRZDQAS-GJZGRUSLSA-N 0 1 375.469 2.235 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(C)c1C(=O)[O-] ZINC000738236607 600555379 /nfs/dbraw/zinc/55/53/79/600555379.db2.gz NKSDEJTYRZDQAS-GJZGRUSLSA-N 0 1 375.469 2.235 20 0 GEADMN CCc1nc(C[NH+]2CCC(CNC(=O)N3CCC(C(=O)[O-])CC3)CC2)cs1 ZINC000737278693 600565269 /nfs/dbraw/zinc/56/52/69/600565269.db2.gz FKRZMWCIZQIIEO-UHFFFAOYSA-N 0 1 394.541 2.424 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1 ZINC000364106337 600578092 /nfs/dbraw/zinc/57/80/92/600578092.db2.gz VKIXWXYRCAFGTB-UHFFFAOYSA-N 0 1 386.433 2.061 20 0 GEADMN C[C@H](CC(=O)[O-])S[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000736554309 600590532 /nfs/dbraw/zinc/59/05/32/600590532.db2.gz YEEVSHKXFSURLT-HUUCEWRRSA-N 0 1 380.510 2.120 20 0 GEADMN C[C@H](Sc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(=O)[O-] ZINC000736711366 600592814 /nfs/dbraw/zinc/59/28/14/600592814.db2.gz AUQXTDWOKHHRIH-HNNXBMFYSA-N 0 1 393.553 2.350 20 0 GEADMN C[C@H](Sc1ccccc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000736711366 600592815 /nfs/dbraw/zinc/59/28/15/600592815.db2.gz AUQXTDWOKHHRIH-HNNXBMFYSA-N 0 1 393.553 2.350 20 0 GEADMN CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)[C@@H](C)C1 ZINC000737167003 600639061 /nfs/dbraw/zinc/63/90/61/600639061.db2.gz LXOIJEDYTSFMMB-DOTOQJQBSA-N 0 1 398.525 2.109 20 0 GEADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC000737168464 600641680 /nfs/dbraw/zinc/64/16/80/600641680.db2.gz VMDOYZVIEOSQDS-CRAIPNDOSA-N 0 1 377.485 2.321 20 0 GEADMN O=C([O-])Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000570574457 600645683 /nfs/dbraw/zinc/64/56/83/600645683.db2.gz LHWVCFKWVXGMKU-INIZCTEOSA-N 0 1 394.518 2.491 20 0 GEADMN C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000737358778 600648690 /nfs/dbraw/zinc/64/86/90/600648690.db2.gz PVPBPNVVNPPXRQ-QGZVFWFLSA-N 0 1 380.441 2.034 20 0 GEADMN CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000737115677 600656995 /nfs/dbraw/zinc/65/69/95/600656995.db2.gz NIXIHGKOJQHADH-UXHICEINSA-N 0 1 387.524 2.331 20 0 GEADMN 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RLJDBVXYZALSDU-NFOMZHRRSA-N 0 1 393.484 2.392 20 0 GEADMN C[C@H](NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000825120605 603813340 /nfs/dbraw/zinc/81/33/40/603813340.db2.gz GKDYEFKEUYSDOJ-SMDDNHRTSA-N 0 1 384.274 2.310 20 0 GEADMN C[C@H](NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000825120605 603813347 /nfs/dbraw/zinc/81/33/47/603813347.db2.gz GKDYEFKEUYSDOJ-SMDDNHRTSA-N 0 1 384.274 2.310 20 0 GEADMN C[C@H](NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000825120603 603813850 /nfs/dbraw/zinc/81/38/50/603813850.db2.gz GKDYEFKEUYSDOJ-FZMZJTMJSA-N 0 1 384.274 2.310 20 0 GEADMN C[C@H](NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000825120603 603813853 /nfs/dbraw/zinc/81/38/53/603813853.db2.gz GKDYEFKEUYSDOJ-FZMZJTMJSA-N 0 1 384.274 2.310 20 0 GEADMN O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000832350324 603935771 /nfs/dbraw/zinc/93/57/71/603935771.db2.gz QGVFGYSDZMAJGR-KZNAEPCWSA-N 0 1 381.517 2.306 20 0 GEADMN 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/nfs/dbraw/zinc/33/67/70/606336770.db2.gz WXOSYVRBCPQUDU-UHFFFAOYSA-N 0 1 396.226 2.136 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000820529741 606365744 /nfs/dbraw/zinc/36/57/44/606365744.db2.gz RIWKJMGHOUNUHW-CQSZACIVSA-N 0 1 398.442 2.021 20 0 GEADMN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000820541212 606365974 /nfs/dbraw/zinc/36/59/74/606365974.db2.gz CJNIZYQFFLPUBT-CQSZACIVSA-N 0 1 398.442 2.021 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000822540493 606366919 /nfs/dbraw/zinc/36/69/19/606366919.db2.gz BXSQVQOVGGVBIS-UHFFFAOYSA-N 0 1 392.423 2.268 20 0 GEADMN C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820364899 606383142 /nfs/dbraw/zinc/38/31/42/606383142.db2.gz GAGISGFHNRHAMC-CQSZACIVSA-N 0 1 397.458 2.498 20 0 GEADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000820431524 606408741 /nfs/dbraw/zinc/40/87/41/606408741.db2.gz GLXGCUUIPZUIEB-LBPRGKRZSA-N 0 1 398.492 2.436 20 0 GEADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000820431524 606408742 /nfs/dbraw/zinc/40/87/42/606408742.db2.gz GLXGCUUIPZUIEB-LBPRGKRZSA-N 0 1 398.492 2.436 20 0 GEADMN O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N1CCCC1 ZINC000822912240 606415040 /nfs/dbraw/zinc/41/50/40/606415040.db2.gz SEUCXBLGEWSZTE-INIZCTEOSA-N 0 1 382.493 2.252 20 0 GEADMN O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N1CCCC1 ZINC000822912240 606415041 /nfs/dbraw/zinc/41/50/41/606415041.db2.gz SEUCXBLGEWSZTE-INIZCTEOSA-N 0 1 382.493 2.252 20 0 GEADMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820431225 606421630 /nfs/dbraw/zinc/42/16/30/606421630.db2.gz BYXBKQNONPQQHA-PBHICJAKSA-N 0 1 384.509 2.307 20 0 GEADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820431225 606421632 /nfs/dbraw/zinc/42/16/32/606421632.db2.gz BYXBKQNONPQQHA-PBHICJAKSA-N 0 1 384.509 2.307 20 0 GEADMN CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821330853 606423676 /nfs/dbraw/zinc/42/36/76/606423676.db2.gz VKPCXMLXWXHVJK-UHFFFAOYSA-N 0 1 387.465 2.202 20 0 GEADMN CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821330853 606423679 /nfs/dbraw/zinc/42/36/79/606423679.db2.gz VKPCXMLXWXHVJK-UHFFFAOYSA-N 0 1 387.465 2.202 20 0 GEADMN CCCNC(=O)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821113655 606481650 /nfs/dbraw/zinc/48/16/50/606481650.db2.gz BKRHLXPIODVQDP-UHFFFAOYSA-N 0 1 394.426 2.206 20 0 GEADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000823093005 606492218 /nfs/dbraw/zinc/49/22/18/606492218.db2.gz RGNNFXSALOSLNM-KRWDZBQOSA-N 0 1 380.452 2.346 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821971268 606698204 /nfs/dbraw/zinc/69/82/04/606698204.db2.gz ZWTHHCXVQBGCFJ-LJQANCHMSA-N 0 1 396.476 2.493 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)oc1C ZINC000821667979 606712331 /nfs/dbraw/zinc/71/23/31/606712331.db2.gz JOPDAPWOQPLFNI-UHFFFAOYSA-N 0 1 397.800 2.009 20 0 GEADMN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820820706 606724030 /nfs/dbraw/zinc/72/40/30/606724030.db2.gz PLRQARUWZAFGBJ-DGCLKSJQSA-N 0 1 392.460 2.310 20 0 GEADMN Cc1cc(C)c(C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)c1 ZINC000822194074 606784165 /nfs/dbraw/zinc/78/41/65/606784165.db2.gz HNLBHFJJKKHZLD-INIZCTEOSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)c1 ZINC000822194074 606784167 /nfs/dbraw/zinc/78/41/67/606784167.db2.gz HNLBHFJJKKHZLD-INIZCTEOSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)c1 ZINC000822194074 606784168 /nfs/dbraw/zinc/78/41/68/606784168.db2.gz HNLBHFJJKKHZLD-INIZCTEOSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)c1 ZINC000822194074 606784170 /nfs/dbraw/zinc/78/41/70/606784170.db2.gz HNLBHFJJKKHZLD-INIZCTEOSA-N 0 1 378.484 2.293 20 0 GEADMN CSc1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1 ZINC000821984773 606820791 /nfs/dbraw/zinc/82/07/91/606820791.db2.gz SLJXSVLBJLHVEX-UHFFFAOYSA-N 0 1 390.494 2.455 20 0 GEADMN CN(C)C1(C(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)nc2)CCC1 ZINC000821581833 606835424 /nfs/dbraw/zinc/83/54/24/606835424.db2.gz VUKBPDCFIRYLBE-UHFFFAOYSA-N 0 1 379.424 2.477 20 0 GEADMN O[C@@H](CN1CCN(C/C=C\c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681928 606844847 /nfs/dbraw/zinc/84/48/47/606844847.db2.gz LLOROSYWCPHVDP-PAKAJVGYSA-N 0 1 390.491 2.231 20 0 GEADMN CSc1n[nH]c(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)n1 ZINC000446028806 649968318 /nfs/dbraw/zinc/96/83/18/649968318.db2.gz NSHGUZQWXAGLHK-MRVPVSSYSA-N 0 1 382.243 2.354 20 0 GEADMN CCC[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000821040380 606861209 /nfs/dbraw/zinc/86/12/09/606861209.db2.gz KZOZZSWDLNLJSG-OAHLLOKOSA-N 0 1 397.483 2.101 20 0 GEADMN c1ccc2c(c1)nc(N[C@@H]1CCCC[C@H]1N1CCOCC1)cc2-c1nn[nH]n1 ZINC000823792581 606877726 /nfs/dbraw/zinc/87/77/26/606877726.db2.gz YIWFTHYMWULNDS-QZTJIDSGSA-N 0 1 379.468 2.470 20 0 GEADMN O=S(=O)(NCCSc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578109 606885519 /nfs/dbraw/zinc/88/55/19/606885519.db2.gz IEQCXLNUXMMFET-UHFFFAOYSA-N 0 1 397.432 2.216 20 0 GEADMN C[C@@H](Cc1ccccc1F)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820298811 606886225 /nfs/dbraw/zinc/88/62/25/606886225.db2.gz AQAYXMZPIRNXJF-VIFPVBQESA-N 0 1 397.382 2.194 20 0 GEADMN CCOc1ccccc1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821431349 606886679 /nfs/dbraw/zinc/88/66/79/606886679.db2.gz QROIEPQHULTTAV-UHFFFAOYSA-N 0 1 395.391 2.022 20 0 GEADMN C[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccc(F)cc1 ZINC000820276161 606887339 /nfs/dbraw/zinc/88/73/39/606887339.db2.gz SZMHJLFXWXRJOS-SECBINFHSA-N 0 1 397.382 2.366 20 0 GEADMN O=S(=O)(N[C@H]1C[C@H]1c1cccc(F)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573196 606888985 /nfs/dbraw/zinc/88/89/85/606888985.db2.gz RYJTXLMMVXOOLF-FZMZJTMJSA-N 0 1 395.366 2.118 20 0 GEADMN CCC[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccn1 ZINC000821023118 606890520 /nfs/dbraw/zinc/89/05/20/606890520.db2.gz WVKAVTNFXUGLHH-CQSZACIVSA-N 0 1 394.407 2.360 20 0 GEADMN O=S(=O)(NCCCc1cccc(F)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572048 606891132 /nfs/dbraw/zinc/89/11/32/606891132.db2.gz AOINRCXLLUYLRS-UHFFFAOYSA-N 0 1 397.382 2.195 20 0 GEADMN CCc1nnc(N2CC[C@H](CNc3cc(C)ccn3)C2)c(-c2nn[nH]n2)c1CC ZINC000821520877 606927225 /nfs/dbraw/zinc/92/72/25/606927225.db2.gz BJWNGMKJCJCIDL-CQSZACIVSA-N 0 1 393.499 2.423 20 0 GEADMN CCc1nnc(N2CC[C@@H](CNc3cccc(C)n3)C2)c(-c2nn[nH]n2)c1CC ZINC000821523283 606927646 /nfs/dbraw/zinc/92/76/46/606927646.db2.gz UBEJMVCTRRKGLA-AWEZNQCLSA-N 0 1 393.499 2.423 20 0 GEADMN C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@@H]1N1CCOCC1 ZINC000820766183 606943021 /nfs/dbraw/zinc/94/30/21/606943021.db2.gz AISLJWZYUPNXPY-NHYWBVRUSA-N 0 1 382.390 2.042 20 0 GEADMN COCCN(Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821690660 607066222 /nfs/dbraw/zinc/06/62/22/607066222.db2.gz UJOFDDANBUFCAU-UHFFFAOYSA-N 0 1 385.399 2.383 20 0 GEADMN C[C@@]1(c2ccccc2)CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)CCO1 ZINC000820635274 607121864 /nfs/dbraw/zinc/12/18/64/607121864.db2.gz LUJVHRSGSFJDGV-NRFANRHFSA-N 0 1 392.463 2.443 20 0 GEADMN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000822497093 607122901 /nfs/dbraw/zinc/12/29/01/607122901.db2.gz YCZJNBUTKQMSJP-UHFFFAOYSA-N 0 1 388.240 2.016 20 0 GEADMN CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821190170 607132177 /nfs/dbraw/zinc/13/21/77/607132177.db2.gz ZUTIAEWRPJNYHE-UHFFFAOYSA-N 0 1 385.497 2.307 20 0 GEADMN CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821190170 607132178 /nfs/dbraw/zinc/13/21/78/607132178.db2.gz ZUTIAEWRPJNYHE-UHFFFAOYSA-N 0 1 385.497 2.307 20 0 GEADMN Cc1cc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000822167697 607132271 /nfs/dbraw/zinc/13/22/71/607132271.db2.gz GFHBKTLBNLBKOR-UHFFFAOYSA-N 0 1 380.452 2.425 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1-c1nn[nH]n1 ZINC000821971246 607159570 /nfs/dbraw/zinc/15/95/70/607159570.db2.gz ZMWKDAOQPGOCKZ-CQSZACIVSA-N 0 1 397.464 2.370 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000823126358 607213107 /nfs/dbraw/zinc/21/31/07/607213107.db2.gz IZTJDTBCXBGISQ-MRXNPFEDSA-N 0 1 380.456 2.286 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000823132084 607213116 /nfs/dbraw/zinc/21/31/16/607213116.db2.gz YWSSRONGQAIFDC-UHFFFAOYSA-N 0 1 394.826 2.095 20 0 GEADMN Cc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCC(C)CC1 ZINC000822351549 607216824 /nfs/dbraw/zinc/21/68/24/607216824.db2.gz OFKLUMDNSRGFBJ-RWKZGTHUSA-N 0 1 394.483 2.450 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000823127288 607217858 /nfs/dbraw/zinc/21/78/58/607217858.db2.gz YYVRHFKIYZTQHI-CQSZACIVSA-N 0 1 386.847 2.256 20 0 GEADMN Cc1ccc(SCC(F)(F)F)c(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822266816 607218494 /nfs/dbraw/zinc/21/84/94/607218494.db2.gz KAQSSNGDTBGGTG-UHFFFAOYSA-N 0 1 398.374 2.060 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(CSC2CCCC2)c1 ZINC000823136268 607218943 /nfs/dbraw/zinc/21/89/43/607218943.db2.gz RKKUSCWBNCHTKU-UHFFFAOYSA-N 0 1 384.469 2.273 20 0 GEADMN CN(C)[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccc(F)cc1 ZINC000821579804 607233832 /nfs/dbraw/zinc/23/38/32/607233832.db2.gz OFVNZCSECSQBSA-AWEZNQCLSA-N 0 1 389.822 2.087 20 0 GEADMN O=S(=O)(CCNCc1cccc(Cl)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485586 607814217 /nfs/dbraw/zinc/81/42/17/607814217.db2.gz WJBIQALYVPTOKI-UHFFFAOYSA-N 0 1 377.857 2.084 20 0 GEADMN CCN1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@@H]1C ZINC000825459822 607835036 /nfs/dbraw/zinc/83/50/36/607835036.db2.gz OCECYFZYNAFTPA-JTQLQIEISA-N 0 1 381.387 2.026 20 0 GEADMN O=C(CN1CC[C@H](C2CCOCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410602 607859363 /nfs/dbraw/zinc/85/93/63/607859363.db2.gz RWGZQTXUIRHFMV-ZDUSSCGKSA-N 0 1 390.875 2.207 20 0 GEADMN CC(C)CSCCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824274061 607907245 /nfs/dbraw/zinc/90/72/45/607907245.db2.gz CNXVBFPPRGHTNI-UHFFFAOYSA-N 0 1 391.469 2.203 20 0 GEADMN CC[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1c(C)noc1C ZINC000825147253 607939091 /nfs/dbraw/zinc/93/90/91/607939091.db2.gz GXFKGDAYKZAGGQ-GFCCVEGCSA-N 0 1 398.395 2.179 20 0 GEADMN CC[C@@H]1C[N@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212948 607942224 /nfs/dbraw/zinc/94/22/24/607942224.db2.gz VDBFOSAXARNDKB-CABCVRRESA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@@H]1C[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212948 607942225 /nfs/dbraw/zinc/94/22/25/607942225.db2.gz VDBFOSAXARNDKB-CABCVRRESA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@@H]1C[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212948 607942226 /nfs/dbraw/zinc/94/22/26/607942226.db2.gz VDBFOSAXARNDKB-CABCVRRESA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@@H]1C[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212948 607942227 /nfs/dbraw/zinc/94/22/27/607942227.db2.gz VDBFOSAXARNDKB-CABCVRRESA-N 0 1 387.488 2.387 20 0 GEADMN CCC[C@H]1CN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000825251467 607992381 /nfs/dbraw/zinc/99/23/81/607992381.db2.gz BNHJDMWQMIVPMH-ZDUSSCGKSA-N 0 1 378.864 2.350 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826077580 608021339 /nfs/dbraw/zinc/02/13/39/608021339.db2.gz NCSVQKNZGCCLSG-MELADBBJSA-N 0 1 386.504 2.287 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826077580 608021340 /nfs/dbraw/zinc/02/13/40/608021340.db2.gz NCSVQKNZGCCLSG-MELADBBJSA-N 0 1 386.504 2.287 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1-c1nnn[n-]1 ZINC000826083742 608022309 /nfs/dbraw/zinc/02/23/09/608022309.db2.gz PKLCMTVLKXOLTO-UHFFFAOYSA-N 0 1 399.846 2.129 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1-c1nn[n-]n1 ZINC000826083742 608022310 /nfs/dbraw/zinc/02/23/10/608022310.db2.gz PKLCMTVLKXOLTO-UHFFFAOYSA-N 0 1 399.846 2.129 20 0 GEADMN C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764687 608035211 /nfs/dbraw/zinc/03/52/11/608035211.db2.gz XKGVDEBIWNRTAM-JTQLQIEISA-N 0 1 392.414 2.399 20 0 GEADMN C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764687 608035212 /nfs/dbraw/zinc/03/52/12/608035212.db2.gz XKGVDEBIWNRTAM-JTQLQIEISA-N 0 1 392.414 2.399 20 0 GEADMN C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764687 608035213 /nfs/dbraw/zinc/03/52/13/608035213.db2.gz XKGVDEBIWNRTAM-JTQLQIEISA-N 0 1 392.414 2.399 20 0 GEADMN C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764687 608035214 /nfs/dbraw/zinc/03/52/14/608035214.db2.gz XKGVDEBIWNRTAM-JTQLQIEISA-N 0 1 392.414 2.399 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc1-c1nn[nH]n1 ZINC000826229545 608037459 /nfs/dbraw/zinc/03/74/59/608037459.db2.gz IMCLCKGMMZILFR-UHFFFAOYSA-N 0 1 384.421 2.453 20 0 GEADMN CCC(CC)[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825094783 608054027 /nfs/dbraw/zinc/05/40/27/608054027.db2.gz BOFDYRRKUDAVSN-GFCCVEGCSA-N 0 1 387.488 2.453 20 0 GEADMN c1ccc(C[N@@H+]2CCC3(C2)CCN(c2nccnc2-c2nnn[n-]2)CC3)cc1 ZINC000826521291 608099128 /nfs/dbraw/zinc/09/91/28/608099128.db2.gz HBRUBPNTONOSEB-UHFFFAOYSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@H+]2CCC3(C2)CCN(c2nccnc2-c2nnn[n-]2)CC3)cc1 ZINC000826521291 608099129 /nfs/dbraw/zinc/09/91/29/608099129.db2.gz HBRUBPNTONOSEB-UHFFFAOYSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@@H+]2CCC3(C2)CCN(c2nccnc2-c2nn[n-]n2)CC3)cc1 ZINC000826521291 608099130 /nfs/dbraw/zinc/09/91/30/608099130.db2.gz HBRUBPNTONOSEB-UHFFFAOYSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@H+]2CCC3(C2)CCN(c2nccnc2-c2nn[n-]n2)CC3)cc1 ZINC000826521291 608099131 /nfs/dbraw/zinc/09/91/31/608099131.db2.gz HBRUBPNTONOSEB-UHFFFAOYSA-N 0 1 376.468 2.149 20 0 GEADMN CC(C)c1nc([C@H](C)NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824358329 608108238 /nfs/dbraw/zinc/10/82/38/608108238.db2.gz HFYJJBFXFSXORX-NSHDSACASA-N 0 1 386.485 2.219 20 0 GEADMN CCC[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C(C)C ZINC000825225209 608117453 /nfs/dbraw/zinc/11/74/53/608117453.db2.gz OEIVUNTUFXUBND-CQSZACIVSA-N 0 1 387.488 2.453 20 0 GEADMN c1cc2nc(N[C@@H]3CCCC[C@@H]3N3CCOCC3)ccc2cc1-c1nn[nH]n1 ZINC000826518413 608234046 /nfs/dbraw/zinc/23/40/46/608234046.db2.gz MWLACLJYUZNDNP-MSOLQXFVSA-N 0 1 379.468 2.470 20 0 GEADMN COC(=O)[C@H](NCc1nc2cccc(C)c2[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000826111551 608239011 /nfs/dbraw/zinc/23/90/11/608239011.db2.gz GXJIUZLSDFDIBS-QGZVFWFLSA-N 0 1 377.408 2.055 20 0 GEADMN O=C(COc1ccc(-c2nn[nH]n2)cc1)OC[C@@H]1CCCN1Cc1ccco1 ZINC000826417067 608249407 /nfs/dbraw/zinc/24/94/07/608249407.db2.gz CICUVQAANCNTQV-HNNXBMFYSA-N 0 1 383.408 2.046 20 0 GEADMN C[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1cccc(NS(C)(=O)=O)c1 ZINC000824613882 608284355 /nfs/dbraw/zinc/28/43/55/608284355.db2.gz XMAFUFQDEUTJHQ-LLVKDONJSA-N 0 1 390.444 2.228 20 0 GEADMN Cc1nc(Br)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826322785 608294754 /nfs/dbraw/zinc/29/47/54/608294754.db2.gz BHBYEZGTOGYOKI-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[NH+](C3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826331965 608309158 /nfs/dbraw/zinc/30/91/58/608309158.db2.gz FRHOAJLKXJBFJN-UHFFFAOYSA-N 0 1 392.511 2.421 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1-c1nnn[n-]1 ZINC000826332076 608309259 /nfs/dbraw/zinc/30/92/59/608309259.db2.gz JCWFSDRPWISKSF-HNNXBMFYSA-N 0 1 379.468 2.362 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1-c1nnn[n-]1 ZINC000826332076 608309260 /nfs/dbraw/zinc/30/92/60/608309260.db2.gz JCWFSDRPWISKSF-HNNXBMFYSA-N 0 1 379.468 2.362 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1-c1nn[n-]n1 ZINC000826332076 608309263 /nfs/dbraw/zinc/30/92/63/608309263.db2.gz JCWFSDRPWISKSF-HNNXBMFYSA-N 0 1 379.468 2.362 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1-c1nn[n-]n1 ZINC000826332076 608309265 /nfs/dbraw/zinc/30/92/65/608309265.db2.gz JCWFSDRPWISKSF-HNNXBMFYSA-N 0 1 379.468 2.362 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826331853 608316288 /nfs/dbraw/zinc/31/62/88/608316288.db2.gz AIWUCDQZOZEBJH-JKSUJKDBSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826331853 608316290 /nfs/dbraw/zinc/31/62/90/608316290.db2.gz AIWUCDQZOZEBJH-JKSUJKDBSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826331853 608316292 /nfs/dbraw/zinc/31/62/92/608316292.db2.gz AIWUCDQZOZEBJH-JKSUJKDBSA-N 0 1 379.468 2.219 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826331853 608316294 /nfs/dbraw/zinc/31/62/94/608316294.db2.gz AIWUCDQZOZEBJH-JKSUJKDBSA-N 0 1 379.468 2.219 20 0 GEADMN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825221097 608407602 /nfs/dbraw/zinc/40/76/02/608407602.db2.gz XZTHHUFINZTRGB-AEFFLSMTSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825221097 608407603 /nfs/dbraw/zinc/40/76/03/608407603.db2.gz XZTHHUFINZTRGB-AEFFLSMTSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825221097 608407604 /nfs/dbraw/zinc/40/76/04/608407604.db2.gz XZTHHUFINZTRGB-AEFFLSMTSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825221097 608407605 /nfs/dbraw/zinc/40/76/05/608407605.db2.gz XZTHHUFINZTRGB-AEFFLSMTSA-N 0 1 392.511 2.419 20 0 GEADMN COc1ccc(C)cc1[C@@H](C)NCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826189776 608429630 /nfs/dbraw/zinc/42/96/30/608429630.db2.gz DWDFYBYHQFVEPD-CQSZACIVSA-N 0 1 380.452 2.151 20 0 GEADMN C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825866362 608431577 /nfs/dbraw/zinc/43/15/77/608431577.db2.gz XRWHFWHRKFXRQW-UHFFFAOYSA-N 0 1 392.389 2.244 20 0 GEADMN C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825866362 608431578 /nfs/dbraw/zinc/43/15/78/608431578.db2.gz XRWHFWHRKFXRQW-UHFFFAOYSA-N 0 1 392.389 2.244 20 0 GEADMN Cc1sc(NC(=O)CN[C@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000826349558 608433917 /nfs/dbraw/zinc/43/39/17/608433917.db2.gz MHHMGRTZLKCWSD-CQSZACIVSA-N 0 1 386.481 2.197 20 0 GEADMN COc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826192211 608461664 /nfs/dbraw/zinc/46/16/64/608461664.db2.gz DPCURICTVYVKMF-ZDUSSCGKSA-N 0 1 398.442 2.324 20 0 GEADMN CC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824000085 608464632 /nfs/dbraw/zinc/46/46/32/608464632.db2.gz UCAATTVCKKGBGU-GFCCVEGCSA-N 0 1 379.424 2.114 20 0 GEADMN C[C@@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555799 608466728 /nfs/dbraw/zinc/46/67/28/608466728.db2.gz YFKSBTPLUMNNPI-BXUZGUMPSA-N 0 1 382.390 2.318 20 0 GEADMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000826209697 608480895 /nfs/dbraw/zinc/48/08/95/608480895.db2.gz MVIZJRLHXXUGQU-GFCCVEGCSA-N 0 1 382.424 2.173 20 0 GEADMN CCOC(=O)c1ccc(NC(=O)CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825560881 608494063 /nfs/dbraw/zinc/49/40/63/608494063.db2.gz WUZWKHQGNAZGNA-ZDUSSCGKSA-N 0 1 394.435 2.333 20 0 GEADMN CCS(=O)(=O)C[C@H](C)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825659067 608526017 /nfs/dbraw/zinc/52/60/17/608526017.db2.gz NNSGNQRFGRPKFP-AWEZNQCLSA-N 0 1 385.493 2.447 20 0 GEADMN C[C@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000826232287 608528387 /nfs/dbraw/zinc/52/83/87/608528387.db2.gz RXASROJSENZKRZ-SMDDNHRTSA-N 0 1 375.379 2.235 20 0 GEADMN Cc1oc(NC(=O)CN[C@@H](c2cnn(C)c2)C(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000826341904 608554080 /nfs/dbraw/zinc/55/40/80/608554080.db2.gz SQIYQLIWFJFGHF-HNNXBMFYSA-N 0 1 386.460 2.126 20 0 GEADMN CCc1ncc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)s1 ZINC000825749721 608589327 /nfs/dbraw/zinc/58/93/27/608589327.db2.gz GTYPJUWOBWFSBJ-UHFFFAOYSA-N 0 1 386.485 2.073 20 0 GEADMN CNC(=O)[C@H]1CCCN1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826060956 608608838 /nfs/dbraw/zinc/60/88/38/608608838.db2.gz XHNMPECMMBCPST-LJQANCHMSA-N 0 1 392.463 2.156 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCc3cc(F)ccc3C2)cc1-c1nn[nH]n1 ZINC000826229743 608608883 /nfs/dbraw/zinc/60/88/83/608608883.db2.gz PWLPPUARPGJRHB-UHFFFAOYSA-N 0 1 386.412 2.027 20 0 GEADMN CNC(=O)[C@@H]1CCCN1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826060679 608608915 /nfs/dbraw/zinc/60/89/15/608608915.db2.gz QPJGAYHDWQFTIW-IBGZPJMESA-N 0 1 392.463 2.156 20 0 GEADMN Cc1sc(NC(=O)CN2CCC[C@@]2(C)CCCO)c(-c2nn[nH]n2)c1C ZINC000826349813 608642744 /nfs/dbraw/zinc/64/27/44/608642744.db2.gz VRGHWMFWSBQHAI-KRWDZBQOSA-N 0 1 378.502 2.111 20 0 GEADMN C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598796 609137020 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C[C@H](CO)N1CCCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000369406302 532939283 /nfs/dbraw/zinc/93/92/83/532939283.db2.gz AAZDAHXHCRTJSG-CQSZACIVSA-N 0 1 381.314 2.396 20 0 GEADMN C[C@](O)(CN1CCc2n[nH]c(=O)cc2C1)c1ccc(Br)cc1Cl ZINC000294462693 532939446 /nfs/dbraw/zinc/93/94/46/532939446.db2.gz GKBRWRWGAMBXFI-INIZCTEOSA-N 0 1 398.688 2.452 20 0 GEADMN Cn1cc([C@H]2[C@H](CNC(=O)c3cccnc3Br)CCCN2C)cn1 ZINC000370473915 532943714 /nfs/dbraw/zinc/94/37/14/532943714.db2.gz TWVQVCLPWZVORG-SWLSCSKDSA-N 0 1 392.301 2.391 20 0 GEADMN C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1nc(C(F)(F)F)cs1 ZINC000369735753 532940682 /nfs/dbraw/zinc/94/06/82/532940682.db2.gz JEDNSLRECMGSJT-HBNTYKKESA-N 0 1 378.420 2.385 20 0 GEADMN C[C@H](CO)N1CCCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000370724103 532945034 /nfs/dbraw/zinc/94/50/34/532945034.db2.gz JMVVIAIMQHGSSI-SNVBAGLBSA-N 0 1 376.682 2.026 20 0 GEADMN O=C(COc1cccc(Br)c1)NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000370762083 532945211 /nfs/dbraw/zinc/94/52/11/532945211.db2.gz ZDIGJBLGHRTFLS-WMLDXEAASA-N 0 1 397.313 2.445 20 0 GEADMN O=C(COc1cccc(Br)c1)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000370762082 532945241 /nfs/dbraw/zinc/94/52/41/532945241.db2.gz ZDIGJBLGHRTFLS-RHSMWYFYSA-N 0 1 397.313 2.445 20 0 GEADMN C[C@H](NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cn1 ZINC000370543648 532944073 /nfs/dbraw/zinc/94/40/73/532944073.db2.gz JVKYNUQDJDWPTF-RCBQFDQVSA-N 0 1 397.317 2.146 20 0 GEADMN O=C(Cc1ccccc1I)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371362822 532947632 /nfs/dbraw/zinc/94/76/32/532947632.db2.gz XYNIELJPCVZLBT-LLVKDONJSA-N 0 1 381.217 2.231 20 0 GEADMN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371362863 532947683 /nfs/dbraw/zinc/94/76/83/532947683.db2.gz YJQYNQKCYWZFAQ-CZUORRHYSA-N 0 1 396.329 2.253 20 0 GEADMN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000371424741 532948088 /nfs/dbraw/zinc/94/80/88/532948088.db2.gz PJUFMDPUNYQWJN-INIZCTEOSA-N 0 1 385.961 2.297 20 0 GEADMN O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1[O-] ZINC000632196897 450597930 /nfs/dbraw/zinc/59/79/30/450597930.db2.gz DFLVSKBDEVLZDT-HNNXBMFYSA-N 0 1 396.896 2.091 20 0 GEADMN CN(CCc1ccc(Cl)cc1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736804778 598833316 /nfs/dbraw/zinc/83/33/16/598833316.db2.gz VQRSGUOYAXPJMP-UHFFFAOYSA-N 0 1 384.871 2.311 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737546857 598848490 /nfs/dbraw/zinc/84/84/90/598848490.db2.gz IBZJQHWPPONJND-HNNXBMFYSA-N 0 1 395.467 2.117 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737546857 598848492 /nfs/dbraw/zinc/84/84/92/598848492.db2.gz IBZJQHWPPONJND-HNNXBMFYSA-N 0 1 395.467 2.117 20 0 GEADMN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CCO[C@H]2CCCC[C@H]21 ZINC000737523188 598851814 /nfs/dbraw/zinc/85/18/14/598851814.db2.gz HKJNHROECDMRJS-SJORKVTESA-N 0 1 380.456 2.035 20 0 GEADMN CC[C@H](O)[C@H]1CCCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736381602 598897074 /nfs/dbraw/zinc/89/70/74/598897074.db2.gz JDZOQCPVGYYTFG-CABCVRRESA-N 0 1 378.864 2.084 20 0 GEADMN CC1(C)CCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736212037 598929229 /nfs/dbraw/zinc/92/92/29/598929229.db2.gz VEYFNQCGWWPXGW-UHFFFAOYSA-N 0 1 397.439 2.342 20 0 GEADMN c1ccc(CC[NH+]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000738426764 598935447 /nfs/dbraw/zinc/93/54/47/598935447.db2.gz GXDFVVAMKKBNQA-UHFFFAOYSA-N 0 1 386.463 2.175 20 0 GEADMN c1ccc(CC[NH+]2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000738426764 598935449 /nfs/dbraw/zinc/93/54/49/598935449.db2.gz GXDFVVAMKKBNQA-UHFFFAOYSA-N 0 1 386.463 2.175 20 0 GEADMN COc1ccccc1[C@@H](C)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737143151 598959681 /nfs/dbraw/zinc/95/96/81/598959681.db2.gz SQBFSFJKYLGSOC-DYVFJYSZSA-N 0 1 378.436 2.331 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1cccnc1N1CCCCC1 ZINC000737301120 598968734 /nfs/dbraw/zinc/96/87/34/598968734.db2.gz HVCUUYNNHCYHCQ-UHFFFAOYSA-N 0 1 399.480 2.361 20 0 GEADMN O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738104268 599020477 /nfs/dbraw/zinc/02/04/77/599020477.db2.gz VRNBLNBVUAHHPB-UHFFFAOYSA-N 0 1 377.452 2.178 20 0 GEADMN O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738104268 599020479 /nfs/dbraw/zinc/02/04/79/599020479.db2.gz VRNBLNBVUAHHPB-UHFFFAOYSA-N 0 1 377.452 2.178 20 0 GEADMN FC(F)(F)c1cc(N2CC[C@H](CN3CCOCC3)C2)ccc1-c1nn[nH]n1 ZINC000822724078 599051735 /nfs/dbraw/zinc/05/17/35/599051735.db2.gz YJHZYCAGPFNJGR-GFCCVEGCSA-N 0 1 382.390 2.044 20 0 GEADMN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC000736617662 599063890 /nfs/dbraw/zinc/06/38/90/599063890.db2.gz ZVMKFVJOWPNKDG-TZMCWYRMSA-N 0 1 379.896 2.464 20 0 GEADMN CCOCCC[N@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC000736617662 599063892 /nfs/dbraw/zinc/06/38/92/599063892.db2.gz ZVMKFVJOWPNKDG-TZMCWYRMSA-N 0 1 379.896 2.464 20 0 GEADMN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC000736617662 599063895 /nfs/dbraw/zinc/06/38/95/599063895.db2.gz ZVMKFVJOWPNKDG-TZMCWYRMSA-N 0 1 379.896 2.464 20 0 GEADMN CCOCCC[N@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC000736617662 599063899 /nfs/dbraw/zinc/06/38/99/599063899.db2.gz ZVMKFVJOWPNKDG-TZMCWYRMSA-N 0 1 379.896 2.464 20 0 GEADMN CN(CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736804759 599074822 /nfs/dbraw/zinc/07/48/22/599074822.db2.gz UJAMBOUHFGQULH-GOSISDBHSA-N 0 1 392.463 2.373 20 0 GEADMN CN(C)Cc1cc(CNC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736771417 599105804 /nfs/dbraw/zinc/10/58/04/599105804.db2.gz KQUMOUJLTDYZHW-UHFFFAOYSA-N 0 1 397.458 2.409 20 0 GEADMN CN(C)Cc1cc(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736770667 599105900 /nfs/dbraw/zinc/10/59/00/599105900.db2.gz DGNQHAAQWVRXRN-UHFFFAOYSA-N 0 1 383.431 2.067 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000822535550 599160819 /nfs/dbraw/zinc/16/08/19/599160819.db2.gz VYSGMXMCVLUJLB-GOOCMWNKSA-N 0 1 395.467 2.304 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000822535550 599160820 /nfs/dbraw/zinc/16/08/20/599160820.db2.gz VYSGMXMCVLUJLB-GOOCMWNKSA-N 0 1 395.467 2.304 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000822535550 599160822 /nfs/dbraw/zinc/16/08/22/599160822.db2.gz VYSGMXMCVLUJLB-GOOCMWNKSA-N 0 1 395.467 2.304 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000822535550 599160824 /nfs/dbraw/zinc/16/08/24/599160824.db2.gz VYSGMXMCVLUJLB-GOOCMWNKSA-N 0 1 395.467 2.304 20 0 GEADMN COc1cc(Cl)c(C)cc1N1C(=O)C[C@H]([NH+]2CCC(C(=O)[O-])CC2)C1=O ZINC000739858842 596926465 /nfs/dbraw/zinc/92/64/65/596926465.db2.gz BHXGCCWJDNGCIX-AWEZNQCLSA-N 0 1 380.828 2.086 20 0 GEADMN Cc1nc(C[NH+]2CCC(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)CC2)oc1C ZINC000818994613 597061477 /nfs/dbraw/zinc/06/14/77/597061477.db2.gz HZVKXQIXYWPAEP-QGZVFWFLSA-N 0 1 392.500 2.400 20 0 GEADMN Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCC[C@@H](CC(=O)[O-])C3)cs2)c1C ZINC000819023450 597077387 /nfs/dbraw/zinc/07/73/87/597077387.db2.gz IEOGDICKGTVVQX-ZDUSSCGKSA-N 0 1 376.482 2.207 20 0 GEADMN Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)cs2)c1C ZINC000819023450 597077390 /nfs/dbraw/zinc/07/73/90/597077390.db2.gz IEOGDICKGTVVQX-ZDUSSCGKSA-N 0 1 376.482 2.207 20 0 GEADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000769756418 597084835 /nfs/dbraw/zinc/08/48/35/597084835.db2.gz SLXZWMRUKGYOAW-BBWFWOEESA-N 0 1 389.496 2.425 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000737761589 597201150 /nfs/dbraw/zinc/20/11/50/597201150.db2.gz BMPZFNJIUZRIBV-DAYGRLMNSA-N 0 1 375.469 2.419 20 0 GEADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000737761589 597201152 /nfs/dbraw/zinc/20/11/52/597201152.db2.gz BMPZFNJIUZRIBV-DAYGRLMNSA-N 0 1 375.469 2.419 20 0 GEADMN CC(C)[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000817943714 597205811 /nfs/dbraw/zinc/20/58/11/597205811.db2.gz UCYSRYVAQARANS-GOSISDBHSA-N 0 1 388.468 2.204 20 0 GEADMN O=C(Cc1ccc(Cl)cc1Br)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737956179 599252767 /nfs/dbraw/zinc/25/27/67/599252767.db2.gz WVCWAAHHXJDDRU-UHFFFAOYSA-N 0 1 393.632 2.281 20 0 GEADMN CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818149272 597338042 /nfs/dbraw/zinc/33/80/42/597338042.db2.gz VAUTZBVPYPYGHG-QGZVFWFLSA-N 0 1 385.468 2.139 20 0 GEADMN CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818149272 597338046 /nfs/dbraw/zinc/33/80/46/597338046.db2.gz VAUTZBVPYPYGHG-QGZVFWFLSA-N 0 1 385.468 2.139 20 0 GEADMN C[C@]1(C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000818075900 597455397 /nfs/dbraw/zinc/45/53/97/597455397.db2.gz VBDCJQWAJRXHSQ-UWJYYQICSA-N 0 1 388.464 2.021 20 0 GEADMN C[C@]1(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000818075900 597455399 /nfs/dbraw/zinc/45/53/99/597455399.db2.gz VBDCJQWAJRXHSQ-UWJYYQICSA-N 0 1 388.464 2.021 20 0 GEADMN NC(=O)C1CC[NH+](Cc2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000822864448 607310312 /nfs/dbraw/zinc/31/03/12/607310312.db2.gz ADDZYIGQXWZOGC-UHFFFAOYSA-N 0 1 397.508 2.238 20 0 GEADMN C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000820620133 598022826 /nfs/dbraw/zinc/02/28/26/598022826.db2.gz GLUZQZZCLXIVPC-IRXDYDNUSA-N 0 1 385.395 2.024 20 0 GEADMN CN(C(=O)c1ccco1)c1ccccc1C(=O)OC[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000820524418 598063084 /nfs/dbraw/zinc/06/30/84/598063084.db2.gz XKRCQEUPQFWSLX-CQSZACIVSA-N 0 1 386.404 2.262 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000821531188 598063723 /nfs/dbraw/zinc/06/37/23/598063723.db2.gz JTVPAYWRCCZTKI-DOTOQJQBSA-N 0 1 389.452 2.023 20 0 GEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823380464 607325233 /nfs/dbraw/zinc/32/52/33/607325233.db2.gz YFXPGEGZRLBSKT-LLVKDONJSA-N 0 1 392.345 2.216 20 0 GEADMN Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000820991394 598191518 /nfs/dbraw/zinc/19/15/18/598191518.db2.gz FTYCGMCDGZUZFI-OAHLLOKOSA-N 0 1 383.448 2.268 20 0 GEADMN NC(=O)c1cccc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737761188 598249739 /nfs/dbraw/zinc/24/97/39/598249739.db2.gz QXMZYLSOPRWTCV-UHFFFAOYSA-N 0 1 378.436 2.009 20 0 GEADMN Cc1ccc([C@@H](CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)N2CCCC2)o1 ZINC000737320747 598285621 /nfs/dbraw/zinc/28/56/21/598285621.db2.gz OWJSDZZNLVBAMG-QGZVFWFLSA-N 0 1 395.467 2.404 20 0 GEADMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735482965 598360154 /nfs/dbraw/zinc/36/01/54/598360154.db2.gz XOTVFOCPZONSSK-UHFFFAOYSA-N 0 1 392.828 2.279 20 0 GEADMN COc1ccc2nc(SC[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000737121418 598367715 /nfs/dbraw/zinc/36/77/15/598367715.db2.gz YJFUTXUPEXHNDK-GFCCVEGCSA-N 0 1 398.448 2.284 20 0 GEADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000735558328 598373489 /nfs/dbraw/zinc/37/34/89/598373489.db2.gz AAWOSPLONOEPDT-KDOFPFPSSA-N 0 1 377.452 2.380 20 0 GEADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000735558326 598373984 /nfs/dbraw/zinc/37/39/84/598373984.db2.gz AAWOSPLONOEPDT-KBXCAEBGSA-N 0 1 377.452 2.380 20 0 GEADMN O=C(COc1ccc(Oc2ccccc2)cc1)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737919838 598380717 /nfs/dbraw/zinc/38/07/17/598380717.db2.gz LMIDEKLGWZMMLC-UHFFFAOYSA-N 0 1 388.387 2.493 20 0 GEADMN COc1ccc([C@H](CNc2cnc(-c3nnn[n-]3)cn2)[NH+]2CCCCC2)cc1 ZINC000737074659 598383962 /nfs/dbraw/zinc/38/39/62/598383962.db2.gz JNRIISDZUBNREB-KRWDZBQOSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccc([C@H](CNc2cnc(-c3nn[n-]n3)cn2)[NH+]2CCCCC2)cc1 ZINC000737074659 598383963 /nfs/dbraw/zinc/38/39/63/598383963.db2.gz JNRIISDZUBNREB-KRWDZBQOSA-N 0 1 380.456 2.304 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1-c1nnn[n-]1 ZINC000737189733 598420785 /nfs/dbraw/zinc/42/07/85/598420785.db2.gz PTXMLOVGZYZOQD-CYBMUJFWSA-N 0 1 399.524 2.171 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC000737189733 598420787 /nfs/dbraw/zinc/42/07/87/598420787.db2.gz PTXMLOVGZYZOQD-CYBMUJFWSA-N 0 1 399.524 2.171 20 0 GEADMN COc1ccc(C)cc1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000737075096 598503945 /nfs/dbraw/zinc/50/39/45/598503945.db2.gz CUWUUDAWARKCPS-UHFFFAOYSA-N 0 1 390.403 2.137 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738146875 598562536 /nfs/dbraw/zinc/56/25/36/598562536.db2.gz SEQOGTZHIMCPRK-NWDGAFQWSA-N 0 1 393.398 2.216 20 0 GEADMN C[NH+](C)C1CCN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2F)CC1 ZINC000736765069 598612966 /nfs/dbraw/zinc/61/29/66/598612966.db2.gz TWFHHXHYWJXBIB-UHFFFAOYSA-N 0 1 383.435 2.070 20 0 GEADMN C[NH+](C)C1CCN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2F)CC1 ZINC000736765069 598612968 /nfs/dbraw/zinc/61/29/68/598612968.db2.gz TWFHHXHYWJXBIB-UHFFFAOYSA-N 0 1 383.435 2.070 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000737545953 598613866 /nfs/dbraw/zinc/61/38/66/598613866.db2.gz AHIWXMZBOKOPFI-HUUCEWRRSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000737545953 598613867 /nfs/dbraw/zinc/61/38/67/598613867.db2.gz AHIWXMZBOKOPFI-HUUCEWRRSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000737545953 598613868 /nfs/dbraw/zinc/61/38/68/598613868.db2.gz AHIWXMZBOKOPFI-HUUCEWRRSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000737545953 598613869 /nfs/dbraw/zinc/61/38/69/598613869.db2.gz AHIWXMZBOKOPFI-HUUCEWRRSA-N 0 1 395.467 2.258 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N(C)CCc2ccccc2F)cc1-c1nn[nH]n1 ZINC000737186964 598613888 /nfs/dbraw/zinc/61/38/88/598613888.db2.gz MMAQKWRBZXGJOH-UHFFFAOYSA-N 0 1 388.428 2.143 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000737545947 598614320 /nfs/dbraw/zinc/61/43/20/598614320.db2.gz AHIWXMZBOKOPFI-CABCVRRESA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000737545947 598614322 /nfs/dbraw/zinc/61/43/22/598614322.db2.gz AHIWXMZBOKOPFI-CABCVRRESA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000737545947 598614323 /nfs/dbraw/zinc/61/43/23/598614323.db2.gz AHIWXMZBOKOPFI-CABCVRRESA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000737545947 598614325 /nfs/dbraw/zinc/61/43/25/598614325.db2.gz AHIWXMZBOKOPFI-CABCVRRESA-N 0 1 395.467 2.258 20 0 GEADMN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000736184930 598697093 /nfs/dbraw/zinc/69/70/93/598697093.db2.gz PMBPIWBWYYCCBM-JTQLQIEISA-N 0 1 397.826 2.480 20 0 GEADMN CC[C@H]1CN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H](C)O1 ZINC000736408919 598706766 /nfs/dbraw/zinc/70/67/66/598706766.db2.gz LBOQAFSRBAEZLH-NEPJUHHUSA-N 0 1 390.513 2.245 20 0 GEADMN CC(C)c1nnc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)n1C ZINC000735952476 598720538 /nfs/dbraw/zinc/72/05/38/598720538.db2.gz HFUWCVYJUUJFDK-UHFFFAOYSA-N 0 1 384.831 2.135 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)cs1 ZINC000736701055 598721645 /nfs/dbraw/zinc/72/16/45/598721645.db2.gz YBJWLKOIYFWXTG-SSDOTTSWSA-N 0 1 391.482 2.199 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCc3ccccc32)cc1-c1nn[nH]n1 ZINC000737187082 598722202 /nfs/dbraw/zinc/72/22/02/598722202.db2.gz OPZYFPIKAVXQGL-NSHDSACASA-N 0 1 382.449 2.149 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21)c1ccc[nH]1 ZINC000737980213 598723171 /nfs/dbraw/zinc/72/31/71/598723171.db2.gz AMGVTXPSPTUPGD-UHFFFAOYSA-N 0 1 399.208 2.155 20 0 GEADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737097013 598766631 /nfs/dbraw/zinc/76/66/31/598766631.db2.gz GZFQLWZNAMLDIU-UHFFFAOYSA-N 0 1 383.792 2.469 20 0 GEADMN CC1(C)C[C@H]1CNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736212386 598779498 /nfs/dbraw/zinc/77/94/98/598779498.db2.gz XFJHUAISPONRHH-KRWDZBQOSA-N 0 1 383.500 2.130 20 0 GEADMN C[C@H](C(=O)N1CCCCC1)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735517490 598780154 /nfs/dbraw/zinc/78/01/54/598780154.db2.gz BKUDPRCCZDGQET-OAHLLOKOSA-N 0 1 384.484 2.111 20 0 GEADMN CC(C)[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735702114 598809852 /nfs/dbraw/zinc/80/98/52/598809852.db2.gz NCGWUBJKICCISA-LBPRGKRZSA-N 0 1 385.428 2.055 20 0 GEADMN COC[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978785 598820870 /nfs/dbraw/zinc/82/08/70/598820870.db2.gz RPRWRPXLBJAXNL-RYUDHWBXSA-N 0 1 390.513 2.102 20 0 GEADMN Cc1cc(C)cc([C@H](O)CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822196515 599306541 /nfs/dbraw/zinc/30/65/41/599306541.db2.gz MAJQDDYLHPZCIJ-HXUWFJFHSA-N 0 1 378.480 2.339 20 0 GEADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820404393 599372546 /nfs/dbraw/zinc/37/25/46/599372546.db2.gz UNCLWUGYWMZTMW-CABCVRRESA-N 0 1 376.464 2.491 20 0 GEADMN OC1CCN(c2ccc(NCc3ccc4nc[nH]c4c3)cc2-c2nn[nH]n2)CC1 ZINC000823706945 599461230 /nfs/dbraw/zinc/46/12/30/599461230.db2.gz SAAOXMSVVFTVRH-UHFFFAOYSA-N 0 1 390.451 2.316 20 0 GEADMN O=C(N[C@@H]1CC=CCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738024015 599507251 /nfs/dbraw/zinc/50/72/51/599507251.db2.gz XBQUFVVWTVDITA-GOSISDBHSA-N 0 1 381.484 2.193 20 0 GEADMN CC1(C)CN(CCNc2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000820601112 599513495 /nfs/dbraw/zinc/51/34/95/599513495.db2.gz CAFQGLAAQMQISP-UHFFFAOYSA-N 0 1 387.875 2.013 20 0 GEADMN C[C@@H](Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)[C@@H](C)N1CCOCC1 ZINC000820452143 599527940 /nfs/dbraw/zinc/52/79/40/599527940.db2.gz ZZSZAVUNPOLYDH-VXGBXAGGSA-N 0 1 387.875 2.011 20 0 GEADMN CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC000821596170 599534917 /nfs/dbraw/zinc/53/49/17/599534917.db2.gz BOPPIMUOVLSCMU-IBGZPJMESA-N 0 1 393.495 2.144 20 0 GEADMN CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC000821596170 599534918 /nfs/dbraw/zinc/53/49/18/599534918.db2.gz BOPPIMUOVLSCMU-IBGZPJMESA-N 0 1 393.495 2.144 20 0 GEADMN CC(C)[C@H]1CN(C)CCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000735747342 599559348 /nfs/dbraw/zinc/55/93/48/599559348.db2.gz CKUCJHWNACMLFJ-GOSISDBHSA-N 0 1 386.500 2.214 20 0 GEADMN C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1ccsc1 ZINC000735525589 599563729 /nfs/dbraw/zinc/56/37/29/599563729.db2.gz NLCWOEDCTAHQKM-NSHDSACASA-N 0 1 399.480 2.246 20 0 GEADMN CC[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736403805 599581285 /nfs/dbraw/zinc/58/12/85/599581285.db2.gz XGXWGSGEJLWBON-VBKZILBWSA-N 0 1 397.483 2.103 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CCCN1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000819939460 599588162 /nfs/dbraw/zinc/58/81/62/599588162.db2.gz COPUVJHYRANCLB-OAHLLOKOSA-N 0 1 388.472 2.235 20 0 GEADMN O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822997594 599640655 /nfs/dbraw/zinc/64/06/55/599640655.db2.gz SVXHYDWUWJCOGO-PBHICJAKSA-N 0 1 392.467 2.255 20 0 GEADMN O=C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822997594 599640656 /nfs/dbraw/zinc/64/06/56/599640656.db2.gz SVXHYDWUWJCOGO-PBHICJAKSA-N 0 1 392.467 2.255 20 0 GEADMN CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000463346982 599708355 /nfs/dbraw/zinc/70/83/55/599708355.db2.gz VRVUHVMXAYEDAW-BEFAXECRSA-N 0 1 376.453 2.068 20 0 GEADMN C[NH+]1CCN([C@H](C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c2ccccc2)CC1 ZINC000737516351 599708473 /nfs/dbraw/zinc/70/84/73/599708473.db2.gz WNGPAPVLDLQAOH-IBGZPJMESA-N 0 1 393.447 2.188 20 0 GEADMN CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000463346985 599708458 /nfs/dbraw/zinc/70/84/58/599708458.db2.gz VRVUHVMXAYEDAW-DNVCBOLYSA-N 0 1 376.453 2.068 20 0 GEADMN 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CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@H]3CCCN(C(=O)[O-])C3)CC2)nc1 ZINC000739481603 602703896 /nfs/dbraw/zinc/70/38/96/602703896.db2.gz WTZBLWIDHMQVBC-MRXNPFEDSA-N 0 1 390.484 2.160 20 0 GEADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000739183995 602717238 /nfs/dbraw/zinc/71/72/38/602717238.db2.gz IJMQDHPDXJOBCX-ARFHVFGLSA-N 0 1 375.469 2.120 20 0 GEADMN C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000739151541 602748082 /nfs/dbraw/zinc/74/80/82/602748082.db2.gz HKBBJBIEEZXXKA-CABCVRRESA-N 0 1 380.514 2.354 20 0 GEADMN COCCN(CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000739811450 602816223 /nfs/dbraw/zinc/81/62/23/602816223.db2.gz CUVPPZQIRCNEDN-WMZOPIPTSA-N 0 1 377.485 2.124 20 0 GEADMN C[C@@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000739141064 602817169 /nfs/dbraw/zinc/81/71/69/602817169.db2.gz XEEVHYWKGRPBCN-VNHYZAJKSA-N 0 1 380.514 2.182 20 0 GEADMN 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CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000739281590 602986748 /nfs/dbraw/zinc/98/67/48/602986748.db2.gz AYGJMUXJIYEDDE-VPWXQRGCSA-N 0 1 377.485 2.079 20 0 GEADMN CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000739281590 602986749 /nfs/dbraw/zinc/98/67/49/602986749.db2.gz AYGJMUXJIYEDDE-VPWXQRGCSA-N 0 1 377.485 2.079 20 0 GEADMN CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[N@H+](C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000739281589 602986925 /nfs/dbraw/zinc/98/69/25/602986925.db2.gz AYGJMUXJIYEDDE-SYNHAJSKSA-N 0 1 377.485 2.079 20 0 GEADMN CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[N@@H+](C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000739281589 602986929 /nfs/dbraw/zinc/98/69/29/602986929.db2.gz AYGJMUXJIYEDDE-SYNHAJSKSA-N 0 1 377.485 2.079 20 0 GEADMN CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)C[C@@H]1C ZINC000739486005 602997144 /nfs/dbraw/zinc/99/71/44/602997144.db2.gz CQVQBSZPHDGEFW-ZDUSSCGKSA-N 0 1 380.445 2.360 20 0 GEADMN 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/nfs/dbraw/zinc/88/63/55/606886355.db2.gz AQAYXMZPIRNXJF-SECBINFHSA-N 0 1 397.382 2.194 20 0 GEADMN O=S(=O)(NC1CC(c2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823566372 606890785 /nfs/dbraw/zinc/89/07/85/606890785.db2.gz FHINKXLFHWTFJM-UHFFFAOYSA-N 0 1 391.403 2.369 20 0 GEADMN Cc1ccc(C[C@H](C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)s1 ZINC000822234727 606892113 /nfs/dbraw/zinc/89/21/13/606892113.db2.gz FVXIDPQKFPXRHY-QMMMGPOBSA-N 0 1 399.448 2.424 20 0 GEADMN O=S(=O)(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572780 606895261 /nfs/dbraw/zinc/89/52/61/606895261.db2.gz MCXSWSHJQWPWSG-JBLDHEPKSA-N 0 1 383.424 2.392 20 0 GEADMN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821653672 606907694 /nfs/dbraw/zinc/90/76/94/606907694.db2.gz HIYYGXLXRFURDB-QYZOEREBSA-N 0 1 399.495 2.344 20 0 GEADMN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821653670 606907995 /nfs/dbraw/zinc/90/79/95/606907995.db2.gz HIYYGXLXRFURDB-FHWLQOOXSA-N 0 1 399.495 2.344 20 0 GEADMN CN(CCOc1ccccc1-c1nn[nH]n1)Cc1cc(Br)cn1C ZINC000821605186 606985229 /nfs/dbraw/zinc/98/52/29/606985229.db2.gz YUVIERNTAQHHTN-UHFFFAOYSA-N 0 1 391.273 2.479 20 0 GEADMN CC(C)Cn1cnc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000820111645 607121620 /nfs/dbraw/zinc/12/16/20/607121620.db2.gz FBRZXRVDMFZAKW-UHFFFAOYSA-N 0 1 381.849 2.173 20 0 GEADMN O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823707221 607129419 /nfs/dbraw/zinc/12/94/19/607129419.db2.gz XHNGJXJEANHUKD-QWRGUYRKSA-N 0 1 383.909 2.156 20 0 GEADMN O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823707221 607129420 /nfs/dbraw/zinc/12/94/20/607129420.db2.gz XHNGJXJEANHUKD-QWRGUYRKSA-N 0 1 383.909 2.156 20 0 GEADMN O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823707223 607129529 /nfs/dbraw/zinc/12/95/29/607129529.db2.gz XHNGJXJEANHUKD-WDEREUQCSA-N 0 1 383.909 2.156 20 0 GEADMN O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823707223 607129531 /nfs/dbraw/zinc/12/95/31/607129531.db2.gz XHNGJXJEANHUKD-WDEREUQCSA-N 0 1 383.909 2.156 20 0 GEADMN O=C(CCc1nc[nH]n1)Oc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822986651 607132552 /nfs/dbraw/zinc/13/25/52/607132552.db2.gz JITZBPFTMAHNBO-UHFFFAOYSA-N 0 1 377.364 2.315 20 0 GEADMN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000820957021 607159953 /nfs/dbraw/zinc/15/99/53/607159953.db2.gz MKBXERLVXPXOCJ-NWDGAFQWSA-N 0 1 392.485 2.013 20 0 GEADMN C[C@H](c1ccc2ccccc2c1)N(C(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CC1 ZINC000820562540 607210259 /nfs/dbraw/zinc/21/02/59/607210259.db2.gz GOZMWAWTUZEKSL-CYBMUJFWSA-N 0 1 388.435 2.364 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(Cl)c1SC(F)F ZINC000823136112 607213301 /nfs/dbraw/zinc/21/33/01/607213301.db2.gz KOMSPQDVPFMXCX-UHFFFAOYSA-N 0 1 386.775 2.065 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(Sc2ccccc2)c1 ZINC000823136427 607215745 /nfs/dbraw/zinc/21/57/45/607215745.db2.gz ZSHWMPVLLNIVQY-UHFFFAOYSA-N 0 1 378.421 2.248 20 0 GEADMN CCCCCN(Cc1ccc(Cl)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821055803 607218302 /nfs/dbraw/zinc/21/83/02/607218302.db2.gz GUUXOFPXTFULMH-UHFFFAOYSA-N 0 1 388.863 2.331 20 0 GEADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877216 607795477 /nfs/dbraw/zinc/79/54/77/607795477.db2.gz WYRNCUFBUMXKNR-WBVHZDCISA-N 0 1 391.479 2.292 20 0 GEADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877216 607795478 /nfs/dbraw/zinc/79/54/78/607795478.db2.gz WYRNCUFBUMXKNR-WBVHZDCISA-N 0 1 391.479 2.292 20 0 GEADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877216 607795479 /nfs/dbraw/zinc/79/54/79/607795479.db2.gz WYRNCUFBUMXKNR-WBVHZDCISA-N 0 1 391.479 2.292 20 0 GEADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877216 607795480 /nfs/dbraw/zinc/79/54/80/607795480.db2.gz WYRNCUFBUMXKNR-WBVHZDCISA-N 0 1 391.479 2.292 20 0 GEADMN O=S(=O)(CCN[C@@H]1CCc2c1cccc2F)c1cccc(-c2nn[nH]n2)c1 ZINC000826485625 607815830 /nfs/dbraw/zinc/81/58/30/607815830.db2.gz YAJQJBHNPUZDKT-QGZVFWFLSA-N 0 1 387.440 2.057 20 0 GEADMN CC(C)(NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000824168310 607829548 /nfs/dbraw/zinc/82/95/48/607829548.db2.gz ZRXUMRCEFYDYHH-UHFFFAOYSA-N 0 1 389.456 2.304 20 0 GEADMN CC[NH+](CC)CCNC(=O)c1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825412906 607899748 /nfs/dbraw/zinc/89/97/48/607899748.db2.gz WIFPLXWIYGSBRG-UHFFFAOYSA-N 0 1 381.440 2.126 20 0 GEADMN CC[NH+](CC)CCNC(=O)c1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825412906 607899749 /nfs/dbraw/zinc/89/97/49/607899749.db2.gz WIFPLXWIYGSBRG-UHFFFAOYSA-N 0 1 381.440 2.126 20 0 GEADMN CSCC[C@@H](NCc1ccccc1-c1nn[nH]n1)c1nnc2ccccn21 ZINC000826228193 607908697 /nfs/dbraw/zinc/90/86/97/607908697.db2.gz HYWFBDOBZBVERT-OAHLLOKOSA-N 0 1 380.481 2.493 20 0 GEADMN Brc1cc(-c2nn[nH]n2)ccc1NCCCCN1CCOCC1 ZINC000823826114 607989065 /nfs/dbraw/zinc/98/90/65/607989065.db2.gz COMRTTLYZYKWTM-UHFFFAOYSA-N 0 1 381.278 2.154 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC(C)C)c1-c1nnn[n-]1 ZINC000826084052 608020114 /nfs/dbraw/zinc/02/01/14/608020114.db2.gz UNSVJXBYEWJMCH-UHFFFAOYSA-N 0 1 398.471 2.029 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC(C)C)c1-c1nn[n-]n1 ZINC000826084052 608020115 /nfs/dbraw/zinc/02/01/15/608020115.db2.gz UNSVJXBYEWJMCH-UHFFFAOYSA-N 0 1 398.471 2.029 20 0 GEADMN COc1ccc(C[C@H](C)CN(C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191957 608065455 /nfs/dbraw/zinc/06/54/55/608065455.db2.gz VPMTYEDYAWEHRB-IFXJQAMLSA-N 0 1 394.479 2.212 20 0 GEADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000825626973 608105892 /nfs/dbraw/zinc/10/58/92/608105892.db2.gz RYOZSGYBMMNUBG-JTQLQIEISA-N 0 1 385.432 2.390 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2scnc2C2CC2)cc1-c1nn[nH]n1 ZINC000826229753 608109021 /nfs/dbraw/zinc/10/90/21/608109021.db2.gz PZGJJRWRSKVTFI-UHFFFAOYSA-N 0 1 375.439 2.275 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC000826231219 608201036 /nfs/dbraw/zinc/20/10/36/608201036.db2.gz CAFUFHJGOZPLHA-MNOVXSKESA-N 0 1 387.513 2.026 20 0 GEADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1sccc1-c1nn[nH]n1 ZINC000826458032 608213516 /nfs/dbraw/zinc/21/35/16/608213516.db2.gz ZZPAPFLRUTYUTE-UHFFFAOYSA-N 0 1 384.465 2.137 20 0 GEADMN CCN1C[C@@H](C)N(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444600 608247068 /nfs/dbraw/zinc/24/70/68/608247068.db2.gz OYACCSWODMUXED-JKSUJKDBSA-N 0 1 386.500 2.357 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826332519 608313595 /nfs/dbraw/zinc/31/35/95/608313595.db2.gz WRFHEZOZKYVDBB-YOEHRIQHSA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826332519 608313597 /nfs/dbraw/zinc/31/35/97/608313597.db2.gz WRFHEZOZKYVDBB-YOEHRIQHSA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332519 608313599 /nfs/dbraw/zinc/31/35/99/608313599.db2.gz WRFHEZOZKYVDBB-YOEHRIQHSA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332519 608313601 /nfs/dbraw/zinc/31/36/01/608313601.db2.gz WRFHEZOZKYVDBB-YOEHRIQHSA-N 0 1 378.484 2.029 20 0 GEADMN CCN1C[C@H](C)N(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C[C@H]1C ZINC000825444195 608314945 /nfs/dbraw/zinc/31/49/45/608314945.db2.gz JWUFINLWZRMJPB-OLZOCXBDSA-N 0 1 383.456 2.114 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000826169492 608367430 /nfs/dbraw/zinc/36/74/30/608367430.db2.gz URAZHZCMGVIYDO-HNNXBMFYSA-N 0 1 388.472 2.364 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cc3n[nH]cc3c(C)c2)cc1-c1nn[nH]n1 ZINC000826229467 608385436 /nfs/dbraw/zinc/38/54/36/608385436.db2.gz GAFMODOANYFEFU-UHFFFAOYSA-N 0 1 382.409 2.126 20 0 GEADMN CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824296248 608417387 /nfs/dbraw/zinc/41/73/87/608417387.db2.gz FUYZXJLDNHRBEL-INIZCTEOSA-N 0 1 395.511 2.396 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000826184052 608429356 /nfs/dbraw/zinc/42/93/56/608429356.db2.gz JFCJZRSIEKUMHN-LBPRGKRZSA-N 0 1 387.465 2.130 20 0 GEADMN C[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564478 608459584 /nfs/dbraw/zinc/45/95/84/608459584.db2.gz UKWLHYQFVLXZLV-GUYCJALGSA-N 0 1 378.436 2.157 20 0 GEADMN C[C@@H](NCC(=O)NCCCN(C)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824565089 608460906 /nfs/dbraw/zinc/46/09/06/608460906.db2.gz YUXBBKIMGXCCPU-MRXNPFEDSA-N 0 1 393.495 2.160 20 0 GEADMN CCOCc1ccc(CNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825605045 608465427 /nfs/dbraw/zinc/46/54/27/608465427.db2.gz OWGDMLXYQQSZRD-HNNXBMFYSA-N 0 1 394.479 2.370 20 0 GEADMN C[C@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555806 608466591 /nfs/dbraw/zinc/46/65/91/608466591.db2.gz YFKSBTPLUMNNPI-SMDDNHRTSA-N 0 1 382.390 2.318 20 0 GEADMN CC[C@@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000825141290 608470673 /nfs/dbraw/zinc/47/06/73/608470673.db2.gz NJEDOIZWXMJPTQ-MRXNPFEDSA-N 0 1 394.435 2.317 20 0 GEADMN C[C@@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000826231939 608527567 /nfs/dbraw/zinc/52/75/67/608527567.db2.gz RXASROJSENZKRZ-RISCZKNCSA-N 0 1 375.379 2.235 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000826412419 608528142 /nfs/dbraw/zinc/52/81/42/608528142.db2.gz NJZJJNGPWTYWST-QGZVFWFLSA-N 0 1 390.447 2.085 20 0 GEADMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000824319212 608548861 /nfs/dbraw/zinc/54/88/61/608548861.db2.gz JGSNZCBCPXATDB-INIZCTEOSA-N 0 1 387.488 2.458 20 0 GEADMN Cc1ccc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826283127 608552623 /nfs/dbraw/zinc/55/26/23/608552623.db2.gz LBXVBTWGVPVWTJ-ZDUSSCGKSA-N 0 1 389.456 2.439 20 0 GEADMN Cc1cc([C@@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000826262558 608553989 /nfs/dbraw/zinc/55/39/89/608553989.db2.gz RZGIXVZVYWDZOD-CYBMUJFWSA-N 0 1 389.456 2.439 20 0 GEADMN CC(C)CN(CC(N)=O)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824255155 608559068 /nfs/dbraw/zinc/55/90/68/608559068.db2.gz ANYHDLLOAPWORU-UHFFFAOYSA-N 0 1 394.479 2.389 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000826169737 608561123 /nfs/dbraw/zinc/56/11/23/608561123.db2.gz CBQNMZPKUHKDAL-CYBMUJFWSA-N 0 1 376.424 2.307 20 0 GEADMN CCCN(CC(=O)NC)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825307999 608619793 /nfs/dbraw/zinc/61/97/93/608619793.db2.gz SRIGURQDJPMQIO-UHFFFAOYSA-N 0 1 394.479 2.404 20 0 GEADMN CC(C)n1cc(CN2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000824371913 608658364 /nfs/dbraw/zinc/65/83/64/608658364.db2.gz YLOCLWJZBGTIHE-UHFFFAOYSA-N 0 1 394.483 2.495 20 0 GEADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000826518210 608746444 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643180191 /nfs/dbraw/zinc/18/01/91/643180191.db2.gz KZLCBAZPUDGNRW-MRXNPFEDSA-N 0 1 381.929 2.408 20 0 GEADMN COCCN(CC[NH+](C)C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000104556490 643185125 /nfs/dbraw/zinc/18/51/25/643185125.db2.gz YTTPXQDLVSWCNH-UHFFFAOYSA-N 0 1 395.301 2.489 20 0 GEADMN O=C(c1cccnc1)N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000537672439 650820666 /nfs/dbraw/zinc/82/06/66/650820666.db2.gz WZCIXMCGHWCMFT-UHFFFAOYSA-N 0 1 390.237 2.148 20 0 GEADMN CN(C)[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000105326380 643202789 /nfs/dbraw/zinc/20/27/89/643202789.db2.gz RBTKLTGQFLSSAV-GFCCVEGCSA-N 0 1 389.315 2.019 20 0 GEADMN Cc1ccc(NC(=O)[C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000106099892 643220629 /nfs/dbraw/zinc/22/06/29/643220629.db2.gz KYPARDQSYMCAHN-KFWWJZLASA-N 0 1 398.345 2.471 20 0 GEADMN CCOCCN1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106104890 643221471 /nfs/dbraw/zinc/22/14/71/643221471.db2.gz FSFGFPYEQOOZHD-OAHLLOKOSA-N 0 1 377.312 2.387 20 0 GEADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CCc1ccc(Br)cc1 ZINC000106584326 643235015 /nfs/dbraw/zinc/23/50/15/643235015.db2.gz VEZRKMOBZMMNKK-OAHLLOKOSA-N 0 1 397.361 2.269 20 0 GEADMN CC[C@@]1(O)CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000495202348 650823685 /nfs/dbraw/zinc/82/36/85/650823685.db2.gz NDUVSMDFDILOJP-QGZVFWFLSA-N 0 1 385.302 2.133 20 0 GEADMN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000107357059 643254504 /nfs/dbraw/zinc/25/45/04/643254504.db2.gz LKDVSTNLHWXIFX-OAHLLOKOSA-N 0 1 396.329 2.397 20 0 GEADMN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000107357059 643254515 /nfs/dbraw/zinc/25/45/15/643254515.db2.gz LKDVSTNLHWXIFX-OAHLLOKOSA-N 0 1 396.329 2.397 20 0 GEADMN O=C1N=NC(S(=O)(=O)Cc2c(Cl)cccc2Cl)N1C[C@H]1CCCO1 ZINC000108594684 643278325 /nfs/dbraw/zinc/27/83/25/643278325.db2.gz FDDDXPHQQDBSBC-SECBINFHSA-N 0 1 392.264 2.443 20 0 GEADMN COCCCN1CCCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000110249687 643309343 /nfs/dbraw/zinc/30/93/43/643309343.db2.gz BMDNGNYYIQFLTO-UHFFFAOYSA-N 0 1 391.331 2.182 20 0 GEADMN Cc1cc(Br)ccc1CNC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000110324999 643310492 /nfs/dbraw/zinc/31/04/92/643310492.db2.gz GYWIIEUJKKCZJM-UHFFFAOYSA-N 0 1 389.257 2.176 20 0 GEADMN C[C@H](NC(=O)CN[C@H](c1ccc(Br)cc1)C1CCC1)C(=O)N(C)C ZINC000538174831 650831706 /nfs/dbraw/zinc/83/17/06/650831706.db2.gz FUUKCVRAWWWBBQ-SJCJKPOMSA-N 0 1 396.329 2.473 20 0 GEADMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000110844049 643320590 /nfs/dbraw/zinc/32/05/90/643320590.db2.gz RDXURDADCLNKNG-JTQLQIEISA-N 0 1 399.314 2.409 20 0 GEADMN C[C@@H](c1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc1)[NH+]1CCOCC1 ZINC000111994937 643351585 /nfs/dbraw/zinc/35/15/85/643351585.db2.gz AAVLYLPLINYOGN-LBPRGKRZSA-N 0 1 384.889 2.268 20 0 GEADMN COc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1I ZINC000538912878 650838785 /nfs/dbraw/zinc/83/87/85/650838785.db2.gz GBLSLGLRBPKVHV-WDEREUQCSA-N 0 1 388.249 2.464 20 0 GEADMN C[C@]12CCC(=O)N1[C@@H](C(=O)NC1CCN(Cc3ccsc3)CC1)CS2 ZINC000115117617 643430364 /nfs/dbraw/zinc/43/03/64/643430364.db2.gz LFOUQWZJIWAGKG-QAPCUYQASA-N 0 1 379.551 2.283 20 0 GEADMN CC(C)NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000116357212 643459840 /nfs/dbraw/zinc/45/98/40/643459840.db2.gz NHUWEOUIEMLCPN-PWSUYJOCSA-N 0 1 378.416 2.466 20 0 GEADMN O=C(COC[C@@H]1CCOC1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000117771685 643498130 /nfs/dbraw/zinc/49/81/30/643498130.db2.gz NXZJMVMGFWWJMB-SNVBAGLBSA-N 0 1 381.230 2.226 20 0 GEADMN CS(=O)(=O)NCc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 ZINC000117850672 643500583 /nfs/dbraw/zinc/50/05/83/643500583.db2.gz CDBYFFPYNOWQTE-UHFFFAOYSA-N 0 1 376.463 2.440 20 0 GEADMN CN(CCS(=O)(=O)c1ccc(Br)cc1)C[C@H]1CCCN(C)C1 ZINC000118841482 643523907 /nfs/dbraw/zinc/52/39/07/643523907.db2.gz HPGBQNJYQHXDSY-AWEZNQCLSA-N 0 1 389.359 2.496 20 0 GEADMN O=C(c1c(O)cccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000119001128 643530431 /nfs/dbraw/zinc/53/04/31/643530431.db2.gz WBRMCVVAKGCYKC-UHFFFAOYSA-N 0 1 384.454 2.176 20 0 GEADMN CN1CC[C@@H]2OCCN(C(=O)c3ccnc(SCC(F)(F)F)c3)[C@@H]2C1 ZINC000498054404 650846617 /nfs/dbraw/zinc/84/66/17/650846617.db2.gz KMXUKTHUCVDPRF-OLZOCXBDSA-N 0 1 375.416 2.281 20 0 GEADMN O=C(Nc1cccnc1Br)N1CCC[C@H](CN2CCOCC2)C1 ZINC000119591858 643559375 /nfs/dbraw/zinc/55/93/75/643559375.db2.gz RSMQQLAKWVDNLC-CYBMUJFWSA-N 0 1 383.290 2.420 20 0 GEADMN C[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC[C@H]1O ZINC000498155466 650849421 /nfs/dbraw/zinc/84/94/21/650849421.db2.gz BYVPXEKQOBSSFR-GXFFZTMASA-N 0 1 394.273 2.147 20 0 GEADMN C[C@H]1CN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC[C@H]1O ZINC000498155466 650849422 /nfs/dbraw/zinc/84/94/22/650849422.db2.gz BYVPXEKQOBSSFR-GXFFZTMASA-N 0 1 394.273 2.147 20 0 GEADMN CCn1cc(C(=O)C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cn1 ZINC000119899377 643578364 /nfs/dbraw/zinc/57/83/64/643578364.db2.gz KWHIQDXBSVFZPD-UHFFFAOYSA-N 0 1 389.213 2.272 20 0 GEADMN COC(=O)[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c21)c1cccs1 ZINC000539845421 650851511 /nfs/dbraw/zinc/85/15/11/650851511.db2.gz CBOYCFDJLDTDBR-LBPRGKRZSA-N 0 1 385.854 2.470 20 0 GEADMN O=S(=O)(CC[C@@H]1CCCO1)NCC1(N2CCSCC2)CCCCC1 ZINC000120433714 643606502 /nfs/dbraw/zinc/60/65/02/643606502.db2.gz CDWXPHFWPGLYEF-INIZCTEOSA-N 0 1 376.588 2.227 20 0 GEADMN COCCN1[C@H](C)CN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1C ZINC000120616438 643620926 /nfs/dbraw/zinc/62/09/26/643620926.db2.gz CZFQEBQUBYFFQL-ZENOOKHLSA-N 0 1 384.318 2.017 20 0 GEADMN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(SCCO)n[nH]1 ZINC000120730229 643623714 /nfs/dbraw/zinc/62/37/14/643623714.db2.gz QUFOCWOSSHXMRM-UHFFFAOYSA-N 0 1 378.845 2.289 20 0 GEADMN C[N@H+](CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCSC1 ZINC000122256778 643652035 /nfs/dbraw/zinc/65/20/35/643652035.db2.gz XVPHAQVHLFBZSN-JTQLQIEISA-N 0 1 383.322 2.236 20 0 GEADMN C[N@@H+](CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCSC1 ZINC000122256778 643652040 /nfs/dbraw/zinc/65/20/40/643652040.db2.gz XVPHAQVHLFBZSN-JTQLQIEISA-N 0 1 383.322 2.236 20 0 GEADMN COc1cc(Br)cc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000498494894 650858613 /nfs/dbraw/zinc/85/86/13/650858613.db2.gz DFOLCQYBEGGWMM-UHFFFAOYSA-N 0 1 385.239 2.357 20 0 GEADMN O=S1(=O)CCO[C@H](CN[C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000540165467 650858669 /nfs/dbraw/zinc/85/86/69/650858669.db2.gz SKVOBCUXTTYRIB-TZMCWYRMSA-N 0 1 390.299 2.066 20 0 GEADMN COC[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540193169 650859070 /nfs/dbraw/zinc/85/90/70/650859070.db2.gz ZYALJGCNANFRFO-HUUCEWRRSA-N 0 1 380.432 2.407 20 0 GEADMN CC[C@H](C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)N(C)C ZINC000126341168 643729128 /nfs/dbraw/zinc/72/91/28/643729128.db2.gz ICQRYDOXDIUSCL-CQSZACIVSA-N 0 1 382.511 2.460 20 0 GEADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000127251091 643766368 /nfs/dbraw/zinc/76/63/68/643766368.db2.gz DONSIMMVNVXKQF-TXEJJXNPSA-N 0 1 383.286 2.314 20 0 GEADMN C[N@H+](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000127813532 643786348 /nfs/dbraw/zinc/78/63/48/643786348.db2.gz CKEVIRLPIHBOIU-SECBINFHSA-N 0 1 383.322 2.236 20 0 GEADMN C[N@@H+](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000127813532 643786351 /nfs/dbraw/zinc/78/63/51/643786351.db2.gz CKEVIRLPIHBOIU-SECBINFHSA-N 0 1 383.322 2.236 20 0 GEADMN CC1=CCN(CCNC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000498858929 650867565 /nfs/dbraw/zinc/86/75/65/650867565.db2.gz VTRSGOKSONPKBA-UHFFFAOYSA-N 0 1 394.313 2.176 20 0 GEADMN COCCN1[C@H](C)CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000128980611 643816873 /nfs/dbraw/zinc/81/68/73/643816873.db2.gz VTBDEKVATFSHFA-OKILXGFUSA-N 0 1 384.318 2.429 20 0 GEADMN COC(=O)c1coc(S(=O)(=O)Nc2ccc(C)nc2Br)c1 ZINC000129358950 643821933 /nfs/dbraw/zinc/82/19/33/643821933.db2.gz CDJUEKXQELQHGP-UHFFFAOYSA-N 0 1 375.200 2.333 20 0 GEADMN CC1(NC(=O)c2n[nH]c3ccc(I)cc32)CCOCC1 ZINC000130785645 643851324 /nfs/dbraw/zinc/85/13/24/643851324.db2.gz FXVKATKGXNNNEW-UHFFFAOYSA-N 0 1 385.205 2.466 20 0 GEADMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 ZINC000541078578 650871048 /nfs/dbraw/zinc/87/10/48/650871048.db2.gz REMXDKKRDVNAJU-UHFFFAOYSA-N 0 1 386.788 2.165 20 0 GEADMN C[C@@H](CNC(=O)Cc1cc(Cl)ccc1Br)N1CCN(C)CC1 ZINC000132969216 643890254 /nfs/dbraw/zinc/89/02/54/643890254.db2.gz VMDWHPUQQWCCDG-LBPRGKRZSA-N 0 1 388.737 2.397 20 0 GEADMN CSc1n[nH]c(NC(=O)CSc2nncn2-c2cccc(Cl)c2)n1 ZINC000499097374 650873610 /nfs/dbraw/zinc/87/36/10/650873610.db2.gz BRIYWFYQJWSNBY-UHFFFAOYSA-N 0 1 381.874 2.492 20 0 GEADMN N#Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000151582805 643946468 /nfs/dbraw/zinc/94/64/68/643946468.db2.gz CNJMHTYJGGDHEZ-UHFFFAOYSA-N 0 1 389.165 2.304 20 0 GEADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1 ZINC000152649197 643971313 /nfs/dbraw/zinc/97/13/13/643971313.db2.gz HEBHSQCIQGHKKW-UHFFFAOYSA-N 0 1 391.268 2.048 20 0 GEADMN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000153362534 643986381 /nfs/dbraw/zinc/98/63/81/643986381.db2.gz XHKXKNHMNLYPPB-BETUJISGSA-N 0 1 387.933 2.191 20 0 GEADMN Cc1nnc(SCC(=O)N[C@@H](CCO)c2ccccc2Br)[nH]1 ZINC000541980869 650884434 /nfs/dbraw/zinc/88/44/34/650884434.db2.gz IMXXRMUZVQABNM-LBPRGKRZSA-N 0 1 385.287 2.208 20 0 GEADMN Cc1n[nH]c(SCC(=O)N[C@@H](CCO)c2ccccc2Br)n1 ZINC000541980869 650884437 /nfs/dbraw/zinc/88/44/37/650884437.db2.gz IMXXRMUZVQABNM-LBPRGKRZSA-N 0 1 385.287 2.208 20 0 GEADMN COC(C)(C)c1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000154197170 644024953 /nfs/dbraw/zinc/02/49/53/644024953.db2.gz UXXVLMUMTHYWMV-UHFFFAOYSA-N 0 1 396.288 2.254 20 0 GEADMN O=C(CCc1nc[nH]n1)OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000155227409 644068022 /nfs/dbraw/zinc/06/80/22/644068022.db2.gz QGCVLFLWYLANGB-LLVKDONJSA-N 0 1 393.241 2.096 20 0 GEADMN Cc1ccc(OC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c(Br)n1 ZINC000155470304 644073288 /nfs/dbraw/zinc/07/32/88/644073288.db2.gz JGNWPPFUNPAMND-UHFFFAOYSA-N 0 1 391.225 2.253 20 0 GEADMN O=C(c1cc2c(cccc2Br)[nH]1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000155601511 644077185 /nfs/dbraw/zinc/07/71/85/644077185.db2.gz PRFXCSKSTPYGBH-SECBINFHSA-N 0 1 375.230 2.463 20 0 GEADMN CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000156386384 644093021 /nfs/dbraw/zinc/09/30/21/644093021.db2.gz HAZBWZVMPQHYKB-UHFFFAOYSA-N 0 1 391.331 2.233 20 0 GEADMN CCc1nn(C)c(CC)c1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1 ZINC000156407989 644094880 /nfs/dbraw/zinc/09/48/80/644094880.db2.gz SLKPCSGGTJEXDI-UHFFFAOYSA-N 0 1 377.392 2.264 20 0 GEADMN CS(=O)(=O)CC1(CN[C@@H](CCO)c2ccccc2Br)CC1 ZINC000542881880 650893233 /nfs/dbraw/zinc/89/32/33/650893233.db2.gz OIUCUGHJNOACBB-AWEZNQCLSA-N 0 1 376.316 2.287 20 0 GEADMN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCCCN1CCC(O)CC1 ZINC000158994330 644171320 /nfs/dbraw/zinc/17/13/20/644171320.db2.gz FVZLTYPTZVWGQL-UHFFFAOYSA-N 0 1 380.432 2.139 20 0 GEADMN COC(=O)c1ncsc1S(=O)(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000161944885 644226696 /nfs/dbraw/zinc/22/66/96/644226696.db2.gz AXXHQSUEUQDGRE-UHFFFAOYSA-N 0 1 388.417 2.218 20 0 GEADMN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCCN(C)CC2)c1 ZINC000162024240 644229937 /nfs/dbraw/zinc/22/99/37/644229937.db2.gz DSUPFIMDPFLVNZ-UHFFFAOYSA-N 0 1 398.301 2.339 20 0 GEADMN COC(=O)c1cc(Br)c(S(=O)(=O)NCc2ccc[nH]2)s1 ZINC000162979953 644243734 /nfs/dbraw/zinc/24/37/34/644243734.db2.gz MKJVGZRPGLEPRM-UHFFFAOYSA-N 0 1 379.257 2.104 20 0 GEADMN OC[C@@H]1CSCCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000543185395 650903233 /nfs/dbraw/zinc/90/32/33/650903233.db2.gz LDTBOJQDTVVLIO-NEPJUHHUSA-N 0 1 396.734 2.252 20 0 GEADMN COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)c(OC)s1 ZINC000163438175 644256010 /nfs/dbraw/zinc/25/60/10/644256010.db2.gz XJKNOSDEMPERHL-SECBINFHSA-N 0 1 377.285 2.485 20 0 GEADMN C[C@H]1COCCN1c1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1 ZINC000164782637 644267733 /nfs/dbraw/zinc/26/77/33/644267733.db2.gz SQFZCCKGMPVYDK-NSHDSACASA-N 0 1 382.873 2.343 20 0 GEADMN Cc1[nH]ncc1CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000170943853 644297555 /nfs/dbraw/zinc/29/75/55/644297555.db2.gz LHUIFPWSZXIWNA-UHFFFAOYSA-N 0 1 382.511 2.130 20 0 GEADMN CN(Cc1ccccc1Br)C(=O)CN1CCC(C2OCCO2)CC1 ZINC000171239993 644317866 /nfs/dbraw/zinc/31/78/66/644317866.db2.gz SVEGDJXRIXVJJL-UHFFFAOYSA-N 0 1 397.313 2.492 20 0 GEADMN COc1cc(Br)c(NS(=O)(=O)c2cn(C)c(C)n2)cc1OC ZINC000171475905 644324467 /nfs/dbraw/zinc/32/44/67/644324467.db2.gz QEYASXXBYNHHJO-UHFFFAOYSA-N 0 1 390.259 2.309 20 0 GEADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1sccc1Br ZINC000171473795 644324677 /nfs/dbraw/zinc/32/46/77/644324677.db2.gz KHEGKEJESUCILI-UHFFFAOYSA-N 0 1 395.282 2.322 20 0 GEADMN CC[N@@H+](CC[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C1CC1 ZINC000173098288 644351789 /nfs/dbraw/zinc/35/17/89/644351789.db2.gz FIIDWSJWLOBSRW-UHFFFAOYSA-N 0 1 395.859 2.339 20 0 GEADMN Cc1nnc(SCCC(=O)NCC(=O)Nc2ccc(Br)cc2)[nH]1 ZINC000174649784 644378711 /nfs/dbraw/zinc/37/87/11/644378711.db2.gz QKWKKJWDOIEZEZ-UHFFFAOYSA-N 0 1 398.286 2.113 20 0 GEADMN CC(C)CN1CCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000179369079 644458394 /nfs/dbraw/zinc/45/83/94/644458394.db2.gz ZYCBHOPBRVFUTO-UHFFFAOYSA-N 0 1 379.302 2.390 20 0 GEADMN Cc1nc(S(=O)(=O)NC[C@@H]2CSCCS2)sc1Br ZINC000180106651 644488618 /nfs/dbraw/zinc/48/86/18/644488618.db2.gz LMLKYBNZWBQJHK-SSDOTTSWSA-N 0 1 389.387 2.341 20 0 GEADMN Cc1cc(S(=O)(=O)Nc2ccccc2CN2CCNC2=O)cnc1Cl ZINC000180533686 644505896 /nfs/dbraw/zinc/50/58/96/644505896.db2.gz PZRLNDWHEFQJSM-UHFFFAOYSA-N 0 1 380.857 2.369 20 0 GEADMN CC[N@H+](C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000181151009 644527046 /nfs/dbraw/zinc/52/70/46/644527046.db2.gz SHZLCVVFLZTZLV-INIZCTEOSA-N 0 1 381.885 2.374 20 0 GEADMN CC[N@@H+](C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000181151009 644527057 /nfs/dbraw/zinc/52/70/57/644527057.db2.gz SHZLCVVFLZTZLV-INIZCTEOSA-N 0 1 381.885 2.374 20 0 GEADMN C[C@H](C[C@H](C)O)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000543971780 650929656 /nfs/dbraw/zinc/92/96/56/650929656.db2.gz XTNFIMVVDFKXAT-ZJUUUORDSA-N 0 1 382.262 2.193 20 0 GEADMN C[C@H](C[C@H](C)O)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000543971780 650929662 /nfs/dbraw/zinc/92/96/62/650929662.db2.gz XTNFIMVVDFKXAT-ZJUUUORDSA-N 0 1 382.262 2.193 20 0 GEADMN CN(CC(=O)NC(C)(C)C)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000544375332 650940658 /nfs/dbraw/zinc/94/06/58/650940658.db2.gz SLVMUZWKKMPFPN-UHFFFAOYSA-N 0 1 394.269 2.277 20 0 GEADMN C[C@H](C(=O)Nc1cccc(I)c1)N(C)CC1(O)CCC1 ZINC000544749686 650952240 /nfs/dbraw/zinc/95/22/40/650952240.db2.gz DCPSMHIWUSJNQH-LLVKDONJSA-N 0 1 388.249 2.465 20 0 GEADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)C[S@](C)=O)CC1 ZINC000183077748 644978362 /nfs/dbraw/zinc/97/83/62/644978362.db2.gz OIRYKKSDVRKFBL-SHZVTRLKSA-N 0 1 386.949 2.370 20 0 GEADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccsc1 ZINC000184251428 645013322 /nfs/dbraw/zinc/01/33/22/645013322.db2.gz VCZNPCRZEWLZPJ-LLVKDONJSA-N 0 1 380.369 2.355 20 0 GEADMN O=C(CNC(=O)c1cccc(Br)c1)Nc1nc(C2CCC2)n[nH]1 ZINC000184571314 645020834 /nfs/dbraw/zinc/02/08/34/645020834.db2.gz NVLDMAXKTGHQDY-UHFFFAOYSA-N 0 1 378.230 2.203 20 0 GEADMN O=C(CNC(=O)c1cccc(Br)c1)Nc1n[nH]c(C2CCC2)n1 ZINC000184571314 645020840 /nfs/dbraw/zinc/02/08/40/645020840.db2.gz NVLDMAXKTGHQDY-UHFFFAOYSA-N 0 1 378.230 2.203 20 0 GEADMN C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)[N@@H+](C)C1CC1 ZINC000184994461 645031089 /nfs/dbraw/zinc/03/10/89/645031089.db2.gz JBSXZGJMGXSNCR-MRVPVSSYSA-N 0 1 381.281 2.453 20 0 GEADMN O=C(C[C@H]1COC(=O)C1)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185379427 645043192 /nfs/dbraw/zinc/04/31/92/645043192.db2.gz DKYBJZSQMWAWAH-JTQLQIEISA-N 0 1 394.225 2.154 20 0 GEADMN O=C(C[C@H]1COC(=O)C1)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185379427 645043196 /nfs/dbraw/zinc/04/31/96/645043196.db2.gz DKYBJZSQMWAWAH-JTQLQIEISA-N 0 1 394.225 2.154 20 0 GEADMN CC[C@H](C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)N(C)C ZINC000185414451 645044153 /nfs/dbraw/zinc/04/41/53/645044153.db2.gz FAATVENFCFSUHI-LSDHHAIUSA-N 0 1 382.302 2.319 20 0 GEADMN Cc1nc(Br)ccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000186746275 645074328 /nfs/dbraw/zinc/07/43/28/645074328.db2.gz KAARKECBHIVVCS-LLVKDONJSA-N 0 1 385.306 2.461 20 0 GEADMN COCCOc1ccccc1S(=O)(=O)Nc1ccccc1C[S@@](C)=O ZINC000545830436 650981451 /nfs/dbraw/zinc/98/14/51/650981451.db2.gz YKHVGIUXLOBHNH-XMMPIXPASA-N 0 1 383.491 2.391 20 0 GEADMN CNS(=O)(=O)CCNCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000190305461 645151019 /nfs/dbraw/zinc/15/10/19/645151019.db2.gz NMCQRJWJYSSUNX-UHFFFAOYSA-N 0 1 381.885 2.231 20 0 GEADMN O=C(NCCCCN1CCOCC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190315637 645151497 /nfs/dbraw/zinc/15/14/97/645151497.db2.gz PUQPNOVDQGJXCD-UHFFFAOYSA-N 0 1 392.258 2.300 20 0 GEADMN CC[C@@H](CO)N1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190606685 645160712 /nfs/dbraw/zinc/16/07/12/645160712.db2.gz OJMSHZVKQCCOTD-YOEHRIQHSA-N 0 1 386.323 2.487 20 0 GEADMN N#Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 ZINC000192340838 645200718 /nfs/dbraw/zinc/20/07/18/645200718.db2.gz JZJMYPHKHGITFP-UHFFFAOYSA-N 0 1 389.165 2.304 20 0 GEADMN C[C@@](N)(C(=O)NC[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000192500565 645210201 /nfs/dbraw/zinc/21/02/01/645210201.db2.gz CKMGYMDRRVJVTE-KDOFPFPSSA-N 0 1 393.281 2.179 20 0 GEADMN Cc1cc(I)ccc1NC(=O)CN1CCC[C@@]1(C)CO ZINC000546103782 650991736 /nfs/dbraw/zinc/99/17/36/650991736.db2.gz CUNTXDPATGCLMU-HNNXBMFYSA-N 0 1 388.249 2.385 20 0 GEADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1c[nH]c(=S)[nH]1 ZINC000193074346 645238294 /nfs/dbraw/zinc/23/82/94/645238294.db2.gz DIWUIKXDAFVXSI-UHFFFAOYSA-N 0 1 379.243 2.176 20 0 GEADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1c[nH]c(=S)[nH]1 ZINC000193074346 645238300 /nfs/dbraw/zinc/23/83/00/645238300.db2.gz DIWUIKXDAFVXSI-UHFFFAOYSA-N 0 1 379.243 2.176 20 0 GEADMN O=C(c1cccc(Br)c1O)N1CCN(c2ncc(F)cn2)CC1 ZINC000546113004 650991900 /nfs/dbraw/zinc/99/19/00/650991900.db2.gz ZASJMZSTZPSGTH-UHFFFAOYSA-N 0 1 381.205 2.046 20 0 GEADMN COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000546173179 650994304 /nfs/dbraw/zinc/99/43/04/650994304.db2.gz SUNFFRGCJITLLR-ABAIWWIYSA-N 0 1 389.315 2.172 20 0 GEADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000193574624 645285463 /nfs/dbraw/zinc/28/54/63/645285463.db2.gz XZXVZGHUKKPQJV-UHFFFAOYSA-N 0 1 379.258 2.477 20 0 GEADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccoc1Br ZINC000193768746 645297330 /nfs/dbraw/zinc/29/73/30/645297330.db2.gz KGAOXENRSLGZDD-KGLIPLIRSA-N 0 1 379.254 2.407 20 0 GEADMN COCCOc1ccccc1S(=O)(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000546534951 651001345 /nfs/dbraw/zinc/00/13/45/651001345.db2.gz GYUHTAHBDXZQNZ-XMMPIXPASA-N 0 1 383.491 2.391 20 0 GEADMN Cc1nn[nH]c1C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000194566132 645334245 /nfs/dbraw/zinc/33/42/45/645334245.db2.gz SUKVWUTWIGTUAY-UHFFFAOYSA-N 0 1 397.273 2.298 20 0 GEADMN O=C1N=NC(S(=O)(=O)Cc2cccnc2Cl)N1CCc1ccccc1 ZINC000195062584 645356579 /nfs/dbraw/zinc/35/65/79/645356579.db2.gz SBFZWJBIULPYKR-UHFFFAOYSA-N 0 1 378.841 2.249 20 0 GEADMN O=C1N=NC(S(=O)(=O)Cc2cccc(Cl)n2)N1CCc1ccccc1 ZINC000195063716 645356598 /nfs/dbraw/zinc/35/65/98/645356598.db2.gz XTPBANOCCKGNSE-UHFFFAOYSA-N 0 1 378.841 2.249 20 0 GEADMN CC(C)N(C(=O)[C@H](C)S(=O)(=O)c1n[nH]c(Cc2cccs2)n1)C(C)C ZINC000195158656 645358554 /nfs/dbraw/zinc/35/85/54/645358554.db2.gz RKIGLYWQZJPSQX-LBPRGKRZSA-N 0 1 384.527 2.265 20 0 GEADMN O=C([O-])c1csc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195277655 645368740 /nfs/dbraw/zinc/36/87/40/645368740.db2.gz MKYWSBPQVIEFIG-AWEZNQCLSA-N 0 1 380.491 2.247 20 0 GEADMN O=C([O-])c1csc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195277644 645368998 /nfs/dbraw/zinc/36/89/98/645368998.db2.gz MKYWSBPQVIEFIG-CQSZACIVSA-N 0 1 380.491 2.247 20 0 GEADMN CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1nnc[nH]1 ZINC000226503138 645390888 /nfs/dbraw/zinc/39/08/88/645390888.db2.gz PDPFVMRUYMNYST-QMMMGPOBSA-N 0 1 375.248 2.005 20 0 GEADMN C[C@@H](CNC(=O)c1ccc(I)c([O-])c1)C[NH+]1CCCC1 ZINC000230889479 645400223 /nfs/dbraw/zinc/40/02/23/645400223.db2.gz JKQMOALPUORZGX-NSHDSACASA-N 0 1 388.249 2.459 20 0 GEADMN CC(C)[N@H+](C)CCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230888790 645400315 /nfs/dbraw/zinc/40/03/15/645400315.db2.gz COYPMJVZGBKVRI-UHFFFAOYSA-N 0 1 376.238 2.457 20 0 GEADMN CC(C)[N@@H+](C)CCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230888790 645400319 /nfs/dbraw/zinc/40/03/19/645400319.db2.gz COYPMJVZGBKVRI-UHFFFAOYSA-N 0 1 376.238 2.457 20 0 GEADMN CC[NH+]1CCC(CNC(=O)c2ccc(I)c([O-])c2)CC1 ZINC000230890375 645401305 /nfs/dbraw/zinc/40/13/05/645401305.db2.gz QJUBLSXZNCCWNZ-UHFFFAOYSA-N 0 1 388.249 2.459 20 0 GEADMN CCC[N@H+](CC)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000230900338 645401876 /nfs/dbraw/zinc/40/18/76/645401876.db2.gz YUHKESWXDDSZTQ-UHFFFAOYSA-N 0 1 376.238 2.459 20 0 GEADMN CCC[N@@H+](CC)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000230900338 645401880 /nfs/dbraw/zinc/40/18/80/645401880.db2.gz YUHKESWXDDSZTQ-UHFFFAOYSA-N 0 1 376.238 2.459 20 0 GEADMN O=C([O-])C[N@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000236433382 645410517 /nfs/dbraw/zinc/41/05/17/645410517.db2.gz YCWOSUDANDPOOR-UHFFFAOYSA-N 0 1 375.650 2.335 20 0 GEADMN O=C1[C@H](NS(=O)(=O)c2ccc(Br)o2)CCN1c1ccccc1 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SQUGPLKEWSBGLV-YOEHRIQHSA-N 0 1 397.313 2.445 20 0 GEADMN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c(Br)c1 ZINC000370593854 532944441 /nfs/dbraw/zinc/94/44/41/532944441.db2.gz NFEYLAKSLFWULG-NSHDSACASA-N 0 1 392.257 2.220 20 0 GEADMN C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371362864 532947629 /nfs/dbraw/zinc/94/76/29/532947629.db2.gz YJQYNQKCYWZFAQ-XJKSGUPXSA-N 0 1 396.329 2.253 20 0 GEADMN O=Cc1ccc(OCC(=O)N[C@H]2CCc3nc[nH]c3C2)c(Br)c1 ZINC000371443785 532948107 /nfs/dbraw/zinc/94/81/07/532948107.db2.gz SYLATZNVMTXUFC-NSHDSACASA-N 0 1 378.226 2.037 20 0 GEADMN COc1ccc(S(=O)(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc1Br ZINC000371505240 532948383 /nfs/dbraw/zinc/94/83/83/532948383.db2.gz IOTACROGGQFLMJ-RISCZKNCSA-N 0 1 389.315 2.172 20 0 GEADMN CS(=O)(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000371612285 532948851 /nfs/dbraw/zinc/94/88/51/532948851.db2.gz SBWBVZOMTQWAOJ-NSHDSACASA-N 0 1 382.873 2.454 20 0 GEADMN COc1cc(CN[C@@H]2CCN(c3ccn(C)n3)C2)c(Br)cc1O ZINC000371713388 532949323 /nfs/dbraw/zinc/94/93/23/532949323.db2.gz BWPYWQLRCZPMOM-GFCCVEGCSA-N 0 1 381.274 2.265 20 0 GEADMN CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000631977835 450596452 /nfs/dbraw/zinc/59/64/52/450596452.db2.gz WJXUKKAXXWQGOV-HIFRSBDPSA-N 0 1 390.933 2.461 20 0 GEADMN Cc1cc(CNC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)n[nH]1 ZINC000737265490 598827886 /nfs/dbraw/zinc/82/78/86/598827886.db2.gz VZRZQWVWZKCCGK-UHFFFAOYSA-N 0 1 379.380 2.000 20 0 GEADMN Cc1cc(CNC(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)nc2)n[nH]1 ZINC000737265372 598851195 /nfs/dbraw/zinc/85/11/95/598851195.db2.gz UYOLUPINVBKUHO-UHFFFAOYSA-N 0 1 391.395 2.407 20 0 GEADMN CC[C@@H](O)[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736379777 598915347 /nfs/dbraw/zinc/91/53/47/598915347.db2.gz DHCRWABWDQBVLJ-HUUCEWRRSA-N 0 1 378.864 2.084 20 0 GEADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCN(C2CCC2)CC1 ZINC000735550282 598944734 /nfs/dbraw/zinc/94/47/34/598944734.db2.gz HTEZYFPXASUGHL-LBPRGKRZSA-N 0 1 389.891 2.017 20 0 GEADMN NC(=O)[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737746072 599014051 /nfs/dbraw/zinc/01/40/51/599014051.db2.gz ZOAAZEZRJPYYEN-HNNXBMFYSA-N 0 1 398.496 2.426 20 0 GEADMN NC(=O)[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737746072 599014053 /nfs/dbraw/zinc/01/40/53/599014053.db2.gz ZOAAZEZRJPYYEN-HNNXBMFYSA-N 0 1 398.496 2.426 20 0 GEADMN O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737994729 599028881 /nfs/dbraw/zinc/02/88/81/599028881.db2.gz FSTAXQZAEUSNHL-GOSISDBHSA-N 0 1 377.452 2.219 20 0 GEADMN COc1cccc(C2CCN([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737130870 599071283 /nfs/dbraw/zinc/07/12/83/599071283.db2.gz SXSRIGTXRSFAHY-LJQANCHMSA-N 0 1 392.463 2.281 20 0 GEADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(-c5nn[nH]n5)nc4)C3)[nH]c2c1 ZINC000737372662 599109116 /nfs/dbraw/zinc/10/91/16/599109116.db2.gz HQCISSSBQAJUMT-AWEZNQCLSA-N 0 1 388.435 2.466 20 0 GEADMN CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821088879 599206945 /nfs/dbraw/zinc/20/69/45/599206945.db2.gz ZFVBDMZFVXJUNU-HNNXBMFYSA-N 0 1 397.483 2.363 20 0 GEADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821088879 599206947 /nfs/dbraw/zinc/20/69/47/599206947.db2.gz ZFVBDMZFVXJUNU-HNNXBMFYSA-N 0 1 397.483 2.363 20 0 GEADMN CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821088879 599206948 /nfs/dbraw/zinc/20/69/48/599206948.db2.gz ZFVBDMZFVXJUNU-HNNXBMFYSA-N 0 1 397.483 2.363 20 0 GEADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821088879 599206950 /nfs/dbraw/zinc/20/69/50/599206950.db2.gz ZFVBDMZFVXJUNU-HNNXBMFYSA-N 0 1 397.483 2.363 20 0 GEADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000736170108 599220318 /nfs/dbraw/zinc/22/03/18/599220318.db2.gz RRVFUZYCRJJGMW-KXBFYZLASA-N 0 1 393.447 2.452 20 0 GEADMN Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000740241171 597002315 /nfs/dbraw/zinc/00/23/15/597002315.db2.gz XUVHYYXDLITEDT-AEFFLSMTSA-N 0 1 381.436 2.075 20 0 GEADMN COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000532881997 597083583 /nfs/dbraw/zinc/08/35/83/597083583.db2.gz TZYNMTGVCSJHQD-CABCVRRESA-N 0 1 378.469 2.237 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H](SC)C2)cc1-c1nn[nH]n1 ZINC000737187804 599242735 /nfs/dbraw/zinc/24/27/35/599242735.db2.gz VPCQYWYWQLIXLP-DTWKUNHWSA-N 0 1 380.499 2.093 20 0 GEADMN CC[C@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737796519 597199435 /nfs/dbraw/zinc/19/94/35/597199435.db2.gz NUCZLSNSWMSDBD-SFHVURJKSA-N 0 1 385.468 2.139 20 0 GEADMN CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737796519 597199440 /nfs/dbraw/zinc/19/94/40/597199440.db2.gz NUCZLSNSWMSDBD-SFHVURJKSA-N 0 1 385.468 2.139 20 0 GEADMN Cc1c(NC(=O)NCCN2CCc3ccccc3C2)cccc1-c1nn[nH]n1 ZINC000822097343 607287602 /nfs/dbraw/zinc/28/76/02/607287602.db2.gz XFFJYOKTQARFRJ-UHFFFAOYSA-N 0 1 377.452 2.355 20 0 GEADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])C[C@@H](C)O1 ZINC000818112624 597339747 /nfs/dbraw/zinc/33/97/47/597339747.db2.gz FFSOKIPJVKKFLY-INMHGKMJSA-N 0 1 375.469 2.419 20 0 GEADMN Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1C(=O)[O-] ZINC000820996928 597490935 /nfs/dbraw/zinc/49/09/35/597490935.db2.gz OMXMSPFUHNBWDV-OAHLLOKOSA-N 0 1 375.469 2.116 20 0 GEADMN O=C([O-])[C@H]1CC[N@H+]([C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000262652896 597529739 /nfs/dbraw/zinc/52/97/39/597529739.db2.gz LPVIYWNKTFJUMC-QFBILLFUSA-N 0 1 382.416 2.179 20 0 GEADMN Cn1nccc1[C@H]1CCCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000737627660 599289630 /nfs/dbraw/zinc/28/96/30/599289630.db2.gz MLEZOWNGPHOUCS-HNNXBMFYSA-N 0 1 391.439 2.030 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000821532601 598065731 /nfs/dbraw/zinc/06/57/31/598065731.db2.gz UDPSBAWVJCJLDI-CYBMUJFWSA-N 0 1 380.828 2.173 20 0 GEADMN C[C@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819854802 607325217 /nfs/dbraw/zinc/32/52/17/607325217.db2.gz CDKQTVMPZYHKQA-OAHLLOKOSA-N 0 1 376.464 2.272 20 0 GEADMN CC(C)[N@H+](CC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000820009595 598078224 /nfs/dbraw/zinc/07/82/24/598078224.db2.gz OMRLSCDXEHAPEM-INIZCTEOSA-N 0 1 376.453 2.306 20 0 GEADMN CC(C)[N@@H+](CC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000820009595 598078228 /nfs/dbraw/zinc/07/82/28/598078228.db2.gz OMRLSCDXEHAPEM-INIZCTEOSA-N 0 1 376.453 2.306 20 0 GEADMN CCOc1cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])ccc1O[C@H](C)C(=O)N(C)C ZINC000820383310 598132525 /nfs/dbraw/zinc/13/25/25/598132525.db2.gz VROLIYWIDSLXAI-GDBMZVCRSA-N 0 1 378.469 2.380 20 0 GEADMN CC1CCC(N(C)CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736239092 598232734 /nfs/dbraw/zinc/23/27/34/598232734.db2.gz GBKJZOKWZUJWRP-SKMDKRRUSA-N 0 1 397.483 2.102 20 0 GEADMN CC(=O)Nc1cccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000735489182 598249447 /nfs/dbraw/zinc/24/94/47/598249447.db2.gz VBOYUYMPPANQNC-UHFFFAOYSA-N 0 1 391.479 2.143 20 0 GEADMN C[C@@H]1CCC[C@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259703 598257295 /nfs/dbraw/zinc/25/72/95/598257295.db2.gz GDVVGASSFMVTKG-CRAIPNDOSA-N 0 1 383.500 2.273 20 0 GEADMN O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000737852751 598311003 /nfs/dbraw/zinc/31/10/03/598311003.db2.gz GJUSVHSVTNADGZ-UHFFFAOYSA-N 0 1 392.398 2.040 20 0 GEADMN O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000737852751 598311004 /nfs/dbraw/zinc/31/10/04/598311004.db2.gz GJUSVHSVTNADGZ-UHFFFAOYSA-N 0 1 392.398 2.040 20 0 GEADMN CCC1(C)CCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736398234 598334645 /nfs/dbraw/zinc/33/46/45/598334645.db2.gz ZYWOPYSMDUKWTK-UHFFFAOYSA-N 0 1 397.483 2.101 20 0 GEADMN COc1ccc([C@H](CNc2nccnc2-c2nnn[n-]2)[NH+]2CCCCC2)cc1 ZINC000737076847 598337810 /nfs/dbraw/zinc/33/78/10/598337810.db2.gz RTFGRAJKBGVWEE-INIZCTEOSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccc([C@H](CNc2nccnc2-c2nn[n-]n2)[NH+]2CCCCC2)cc1 ZINC000737076847 598337812 /nfs/dbraw/zinc/33/78/12/598337812.db2.gz RTFGRAJKBGVWEE-INIZCTEOSA-N 0 1 380.456 2.304 20 0 GEADMN C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C[C@H](O)c1ccccc1 ZINC000736288107 598365618 /nfs/dbraw/zinc/36/56/18/598365618.db2.gz QTYGVBKQGJRHBM-QRWLVFNGSA-N 0 1 396.470 2.246 20 0 GEADMN Brc1ccc(-c2nc(CNc3ccc(-c4nn[nH]n4)cn3)n[nH]2)cc1 ZINC000735369872 598367635 /nfs/dbraw/zinc/36/76/35/598367635.db2.gz ZHYBZMGUYNDCOS-UHFFFAOYSA-N 0 1 398.228 2.421 20 0 GEADMN Brc1ccc(-c2n[nH]c(CNc3ccc(-c4nn[nH]n4)cn3)n2)cc1 ZINC000735369872 598367636 /nfs/dbraw/zinc/36/76/36/598367636.db2.gz ZHYBZMGUYNDCOS-UHFFFAOYSA-N 0 1 398.228 2.421 20 0 GEADMN Cc1cnn(CC2CCN([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737445204 598367907 /nfs/dbraw/zinc/36/79/07/598367907.db2.gz PUEJTLRNUIBAPE-OAHLLOKOSA-N 0 1 394.483 2.111 20 0 GEADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CSc1nc(-c2ccccc2)n[nH]1 ZINC000738385341 598370175 /nfs/dbraw/zinc/37/01/75/598370175.db2.gz HTALEVXSCWZIHN-CQSZACIVSA-N 0 1 395.448 2.184 20 0 GEADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@H](Nc2ccccc2)C1 ZINC000735561232 598373495 /nfs/dbraw/zinc/37/34/95/598373495.db2.gz JRUMOAZHGLRNQV-ZBFHGGJFSA-N 0 1 377.452 2.380 20 0 GEADMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737477319 598380864 /nfs/dbraw/zinc/38/08/64/598380864.db2.gz JRUSKPMGEIDZAH-UHFFFAOYSA-N 0 1 395.423 2.431 20 0 GEADMN COc1ccc([C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[NH+]2CCCCC2)cc1 ZINC000737074660 598384703 /nfs/dbraw/zinc/38/47/03/598384703.db2.gz JNRIISDZUBNREB-QGZVFWFLSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccc([C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[NH+]2CCCCC2)cc1 ZINC000737074660 598384704 /nfs/dbraw/zinc/38/47/04/598384704.db2.gz JNRIISDZUBNREB-QGZVFWFLSA-N 0 1 380.456 2.304 20 0 GEADMN CCN(C)c1ccccc1CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736511834 598410824 /nfs/dbraw/zinc/41/08/24/598410824.db2.gz LITYDZDHGRBESU-UHFFFAOYSA-N 0 1 399.480 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1-c1nnn[n-]1 ZINC000737189736 598420453 /nfs/dbraw/zinc/42/04/53/598420453.db2.gz PTXMLOVGZYZOQD-ZDUSSCGKSA-N 0 1 399.524 2.171 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC000737189736 598420454 /nfs/dbraw/zinc/42/04/54/598420454.db2.gz PTXMLOVGZYZOQD-ZDUSSCGKSA-N 0 1 399.524 2.171 20 0 GEADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738176417 598449331 /nfs/dbraw/zinc/44/93/31/598449331.db2.gz ZXYQCXIGCIWZST-OAHLLOKOSA-N 0 1 376.380 2.242 20 0 GEADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(-c5nn[nH]n5)cn4)C3)[nH]c2c1 ZINC000737373734 598474203 /nfs/dbraw/zinc/47/42/03/598474203.db2.gz UMERGXBJSCTDEM-CQSZACIVSA-N 0 1 388.435 2.466 20 0 GEADMN C[C@@H](c1ccccc1)N(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736204458 598503483 /nfs/dbraw/zinc/50/34/83/598503483.db2.gz PYVPTNHVMUILSU-AWEZNQCLSA-N 0 1 388.431 2.401 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000737982775 598504535 /nfs/dbraw/zinc/50/45/35/598504535.db2.gz QACLQDMCTARFHI-UHFFFAOYSA-N 0 1 380.795 2.474 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1-c1nnn[n-]1 ZINC000737190273 598536244 /nfs/dbraw/zinc/53/62/44/598536244.db2.gz WZWHDEGFLLVPKQ-LLVKDONJSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1-c1nnn[n-]1 ZINC000737190273 598536246 /nfs/dbraw/zinc/53/62/46/598536246.db2.gz WZWHDEGFLLVPKQ-LLVKDONJSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000737190273 598536248 /nfs/dbraw/zinc/53/62/48/598536248.db2.gz WZWHDEGFLLVPKQ-LLVKDONJSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000737190273 598536249 /nfs/dbraw/zinc/53/62/49/598536249.db2.gz WZWHDEGFLLVPKQ-LLVKDONJSA-N 0 1 399.524 2.075 20 0 GEADMN CCCNC(=O)CNCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736483253 598560237 /nfs/dbraw/zinc/56/02/37/598560237.db2.gz HYGKBMDFZMZTKL-UHFFFAOYSA-N 0 1 380.452 2.062 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cc(Cl)ccc2O)cc1-c1nn[nH]n1 ZINC000737187733 598568820 /nfs/dbraw/zinc/56/88/20/598568820.db2.gz SOSALGCPGRGZRI-UHFFFAOYSA-N 0 1 378.801 2.301 20 0 GEADMN CN(CCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736797005 598616249 /nfs/dbraw/zinc/61/62/49/598616249.db2.gz DYWBMSOXJFBMEM-GOSISDBHSA-N 0 1 390.447 2.063 20 0 GEADMN CN(C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccsc1 ZINC000736762667 598624409 /nfs/dbraw/zinc/62/44/09/598624409.db2.gz WXTJUQOPXBEBNT-CQSZACIVSA-N 0 1 375.433 2.492 20 0 GEADMN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCN2CCCC[C@@H]2C1 ZINC000737833225 598655418 /nfs/dbraw/zinc/65/54/18/598655418.db2.gz QPCUBMJLGJWNFW-QGZVFWFLSA-N 0 1 384.484 2.113 20 0 GEADMN CN1CCN(c2ncccc2CNc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736868474 598665183 /nfs/dbraw/zinc/66/51/83/598665183.db2.gz RQHQMUXWVADWRA-UHFFFAOYSA-N 0 1 384.875 2.279 20 0 GEADMN CC(=O)c1ccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000735495124 598718893 /nfs/dbraw/zinc/71/88/93/598718893.db2.gz AGCLLXYIJOZMMV-UHFFFAOYSA-N 0 1 388.387 2.023 20 0 GEADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736274371 598719559 /nfs/dbraw/zinc/71/95/59/598719559.db2.gz UNXQDGQKOVWKPR-BBRMVZONSA-N 0 1 380.452 2.219 20 0 GEADMN Cc1csc(=O)n1CCn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000737456118 598721425 /nfs/dbraw/zinc/72/14/25/598721425.db2.gz ATGJJBVBRJGQAF-UHFFFAOYSA-N 0 1 388.840 2.067 20 0 GEADMN CCOC(=O)c1sc(NC(=O)/C=C\C2CCOCC2)c(-c2nn[nH]n2)c1C ZINC000736605515 598751462 /nfs/dbraw/zinc/75/14/62/598751462.db2.gz NFOVMHDOPGMBLU-PLNGDYQASA-N 0 1 391.453 2.335 20 0 GEADMN O=C1[C@@H](N2CC[C@@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291564 598764471 /nfs/dbraw/zinc/76/44/71/598764471.db2.gz VHIZWJWMQJDSFO-MJGOQNOKSA-N 0 1 389.463 2.158 20 0 GEADMN CCc1cc(CNC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000736676103 598768677 /nfs/dbraw/zinc/76/86/77/598768677.db2.gz QHIBZZGSJBQYRE-UHFFFAOYSA-N 0 1 393.407 2.254 20 0 GEADMN Cc1cccc(C)c1OCCCN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000737388238 598795857 /nfs/dbraw/zinc/79/58/57/598795857.db2.gz DBUZNTCFPPEPGK-UHFFFAOYSA-N 0 1 393.495 2.470 20 0 GEADMN CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736533488 598812222 /nfs/dbraw/zinc/81/22/22/598812222.db2.gz HJJVWJOJNGJYBS-LLVKDONJSA-N 0 1 389.529 2.321 20 0 GEADMN O=C(Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)c1ncccc1O ZINC000823356900 599320955 /nfs/dbraw/zinc/32/09/55/599320955.db2.gz QYRKGCZOLVPYPR-UHFFFAOYSA-N 0 1 375.348 2.407 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCCOC2CCCCCC2)cc1-c1nn[nH]n1 ZINC000737186480 599334901 /nfs/dbraw/zinc/33/49/01/599334901.db2.gz IBKZVMICVURGNN-UHFFFAOYSA-N 0 1 392.485 2.158 20 0 GEADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736238736 599478919 /nfs/dbraw/zinc/47/89/19/599478919.db2.gz ZVVXCAAAYSSCPF-KDOFPFPSSA-N 0 1 394.454 2.500 20 0 GEADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CNCc1ccnc(N2CCCCC2)c1 ZINC000738412130 599485896 /nfs/dbraw/zinc/48/58/96/599485896.db2.gz AOIXMEQQXQKKQM-UHFFFAOYSA-N 0 1 389.467 2.190 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000737187758 599495013 /nfs/dbraw/zinc/49/50/13/599495013.db2.gz UESWNGXPMNKZLM-LKFCYVNXSA-N 0 1 382.449 2.353 20 0 GEADMN Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000737777273 599495392 /nfs/dbraw/zinc/49/53/92/599495392.db2.gz SHDFTJUQNCBGSI-UHFFFAOYSA-N 0 1 396.798 2.246 20 0 GEADMN COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)CN1CCCCCC1 ZINC000736988938 599504899 /nfs/dbraw/zinc/50/48/99/599504899.db2.gz XWWQMXAMWSQSJX-UHFFFAOYSA-N 0 1 389.504 2.136 20 0 GEADMN Oc1ccc2c(c1)CCN(Cc1nnc(-c3ccc(-c4nn[nH]n4)cc3)o1)CC2 ZINC000823731879 599638217 /nfs/dbraw/zinc/63/82/17/599638217.db2.gz GUWXXIGWCIZTAR-UHFFFAOYSA-N 0 1 389.419 2.223 20 0 GEADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC2(C1)CCOCC2 ZINC000819867976 599644861 /nfs/dbraw/zinc/64/48/61/599644861.db2.gz WHNFBYHVRNWKQF-GFCCVEGCSA-N 0 1 390.875 2.350 20 0 GEADMN C[C@@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)c1cccc(-c2nn[nH]n2)c1 ZINC000820375014 599675569 /nfs/dbraw/zinc/67/55/69/599675569.db2.gz VZXYXYAJVUDDBB-GFCCVEGCSA-N 0 1 389.423 2.212 20 0 GEADMN C[C@@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000820375014 599675570 /nfs/dbraw/zinc/67/55/70/599675570.db2.gz VZXYXYAJVUDDBB-GFCCVEGCSA-N 0 1 389.423 2.212 20 0 GEADMN Cc1nnc(SCC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)[nH]1 ZINC000822419802 599699012 /nfs/dbraw/zinc/69/90/12/599699012.db2.gz WOAPYMXYAJXYPI-UHFFFAOYSA-N 0 1 386.485 2.070 20 0 GEADMN Cc1oc(CN(C)C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000738969607 599706819 /nfs/dbraw/zinc/70/68/19/599706819.db2.gz MLTYSZBFWJYZGQ-LJQANCHMSA-N 0 1 385.464 2.233 20 0 GEADMN CS(=O)(=O)Nc1cccc2c1CC[N@@H+]([C@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC000738167867 599711967 /nfs/dbraw/zinc/71/19/67/599711967.db2.gz ILBHOGWZQHQVQT-KRWDZBQOSA-N 0 1 378.425 2.381 20 0 GEADMN CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC000738167867 599711968 /nfs/dbraw/zinc/71/19/68/599711968.db2.gz ILBHOGWZQHQVQT-KRWDZBQOSA-N 0 1 378.425 2.381 20 0 GEADMN C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCNC(=O)[O-])c1 ZINC000736784632 599721006 /nfs/dbraw/zinc/72/10/06/599721006.db2.gz LQCURKVGAYMGKX-GFCCVEGCSA-N 0 1 380.420 2.235 20 0 GEADMN C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCNC(=O)[O-])c1 ZINC000736784632 599721008 /nfs/dbraw/zinc/72/10/08/599721008.db2.gz LQCURKVGAYMGKX-GFCCVEGCSA-N 0 1 380.420 2.235 20 0 GEADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000738476545 599753488 /nfs/dbraw/zinc/75/34/88/599753488.db2.gz SNTKNXHUJFZIJD-NRFANRHFSA-N 0 1 397.475 2.386 20 0 GEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000650506475 599754442 /nfs/dbraw/zinc/75/44/42/599754442.db2.gz NITIJOLFUODSGS-KRWDZBQOSA-N 0 1 379.888 2.318 20 0 GEADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000736204195 599770173 /nfs/dbraw/zinc/77/01/73/599770173.db2.gz HMLKDWLXFFZULT-INIZCTEOSA-N 0 1 391.487 2.045 20 0 GEADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000736204195 599770175 /nfs/dbraw/zinc/77/01/75/599770175.db2.gz HMLKDWLXFFZULT-INIZCTEOSA-N 0 1 391.487 2.045 20 0 GEADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000736204195 599770176 /nfs/dbraw/zinc/77/01/76/599770176.db2.gz HMLKDWLXFFZULT-INIZCTEOSA-N 0 1 391.487 2.045 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)c1C(=O)[O-] ZINC000738237018 599785582 /nfs/dbraw/zinc/78/55/82/599785582.db2.gz RDECZHJKYDLQKE-CABCVRRESA-N 0 1 377.485 2.385 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)c1C(=O)[O-] ZINC000738237018 599785583 /nfs/dbraw/zinc/78/55/83/599785583.db2.gz RDECZHJKYDLQKE-CABCVRRESA-N 0 1 377.485 2.385 20 0 GEADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000736492285 599820188 /nfs/dbraw/zinc/82/01/88/599820188.db2.gz ZYWKNAFDOUWKKH-GJZGRUSLSA-N 0 1 377.441 2.157 20 0 GEADMN NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cccc(C(=O)[O-])c3)c2)C1 ZINC000567860656 599833699 /nfs/dbraw/zinc/83/36/99/599833699.db2.gz VRHACVHHZPEDKS-LJQANCHMSA-N 0 1 395.459 2.012 20 0 GEADMN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(C(=O)[O-])cc3)c2)C1 ZINC000576226568 599833780 /nfs/dbraw/zinc/83/37/80/599833780.db2.gz LLDMWZAHUFWCEW-IBGZPJMESA-N 0 1 395.459 2.012 20 0 GEADMN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1=O ZINC000737114598 599835401 /nfs/dbraw/zinc/83/54/01/599835401.db2.gz KQYHZWOYEPVSSQ-OCCSQVGLSA-N 0 1 392.431 2.187 20 0 GEADMN Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000574995505 599851325 /nfs/dbraw/zinc/85/13/25/599851325.db2.gz CWQDZVBPCUALNZ-OAHLLOKOSA-N 0 1 392.477 2.477 20 0 GEADMN 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606586067 /nfs/dbraw/zinc/58/60/67/606586067.db2.gz AVPQKSKDPYRVCV-KBPBESRZSA-N 0 1 383.456 2.161 20 0 GEADMN CC(C)S(=O)(=O)Cc1cccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1 ZINC000445974503 649967386 /nfs/dbraw/zinc/96/73/86/649967386.db2.gz MPIXKMILKOOLKS-LBPRGKRZSA-N 0 1 378.372 2.387 20 0 GEADMN NC(=O)[C@H](NC[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850512 606622308 /nfs/dbraw/zinc/62/23/08/606622308.db2.gz IUQMOJGEENZCMM-DLBZAZTESA-N 0 1 380.477 2.013 20 0 GEADMN C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C1(N2CCOCC2)CCCC1 ZINC000820321673 606639286 /nfs/dbraw/zinc/63/92/86/606639286.db2.gz KPAOXUNXBTWBOX-ROJDOSBLSA-N 0 1 396.495 2.030 20 0 GEADMN C[C@@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1(N2CCOCC2)CCCC1 ZINC000820380038 606645596 /nfs/dbraw/zinc/64/55/96/606645596.db2.gz JZKJIXVSWXKEMR-CQSZACIVSA-N 0 1 385.472 2.022 20 0 GEADMN CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002221 606685850 /nfs/dbraw/zinc/68/58/50/606685850.db2.gz VBSFOBUPEOPYKW-QWHCGFSZSA-N 0 1 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ZINC000820634189 606893849 /nfs/dbraw/zinc/89/38/49/606893849.db2.gz FVBUCJKFSHZMIW-WMLDXEAASA-N 0 1 391.403 2.153 20 0 GEADMN CCc1nnc(N2CC[C@H](CNc3cccc(C)n3)C2)c(-c2nn[nH]n2)c1CC ZINC000821523284 606927434 /nfs/dbraw/zinc/92/74/34/606927434.db2.gz UBEJMVCTRRKGLA-CQSZACIVSA-N 0 1 393.499 2.423 20 0 GEADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820704272 606935874 /nfs/dbraw/zinc/93/58/74/606935874.db2.gz NGOOENGTMDZJKV-OAHLLOKOSA-N 0 1 383.500 2.378 20 0 GEADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820704272 606935876 /nfs/dbraw/zinc/93/58/76/606935876.db2.gz NGOOENGTMDZJKV-OAHLLOKOSA-N 0 1 383.500 2.378 20 0 GEADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820704272 606935878 /nfs/dbraw/zinc/93/58/78/606935878.db2.gz NGOOENGTMDZJKV-OAHLLOKOSA-N 0 1 383.500 2.378 20 0 GEADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820704272 606935880 /nfs/dbraw/zinc/93/58/80/606935880.db2.gz NGOOENGTMDZJKV-OAHLLOKOSA-N 0 1 383.500 2.378 20 0 GEADMN Cc1nc(CN2CCCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)oc1C ZINC000822440731 606970520 /nfs/dbraw/zinc/97/05/20/606970520.db2.gz PHHXABCWTYGHEJ-UHFFFAOYSA-N 0 1 385.447 2.319 20 0 GEADMN C[C@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@H]1n1ccnc1 ZINC000820728130 607025080 /nfs/dbraw/zinc/02/50/80/607025080.db2.gz TXWGYSYCMODKLX-HNAYVOBHSA-N 0 1 389.467 2.467 20 0 GEADMN C[C@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@@H]1n1ccnc1 ZINC000820728131 607025149 /nfs/dbraw/zinc/02/51/49/607025149.db2.gz TXWGYSYCMODKLX-KXBFYZLASA-N 0 1 389.467 2.467 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCC(OC(C)(C)C)CC2)cc1-c1nn[nH]n1 ZINC000821969419 607070862 /nfs/dbraw/zinc/07/08/62/607070862.db2.gz ACUGAPLPBBZBDA-UHFFFAOYSA-N 0 1 392.485 2.109 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822535358 607071546 /nfs/dbraw/zinc/07/15/46/607071546.db2.gz OJIAQIWNBFCRGB-HUUCEWRRSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822535358 607071548 /nfs/dbraw/zinc/07/15/48/607071548.db2.gz OJIAQIWNBFCRGB-HUUCEWRRSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822535358 607071550 /nfs/dbraw/zinc/07/15/50/607071550.db2.gz OJIAQIWNBFCRGB-HUUCEWRRSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822535358 607071552 /nfs/dbraw/zinc/07/15/52/607071552.db2.gz OJIAQIWNBFCRGB-HUUCEWRRSA-N 0 1 395.467 2.115 20 0 GEADMN CCC1(CC)[C@H](N(C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1OC ZINC000820958668 607106937 /nfs/dbraw/zinc/10/69/37/607106937.db2.gz WXQWGPOKYWYXQN-SJORKVTESA-N 0 1 386.500 2.008 20 0 GEADMN COCCN(CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccc(C)o1 ZINC000821688989 607125369 /nfs/dbraw/zinc/12/53/69/607125369.db2.gz GVZJWXUQDILSGQ-UHFFFAOYSA-N 0 1 384.440 2.245 20 0 GEADMN COCCC1(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000821685332 607152494 /nfs/dbraw/zinc/15/24/94/607152494.db2.gz ACHUKBJTDXSKPA-UHFFFAOYSA-N 0 1 398.511 2.108 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000822200263 607168080 /nfs/dbraw/zinc/16/80/80/607168080.db2.gz ZZFNKRJPDNVDRT-SJCJKPOMSA-N 0 1 383.456 2.049 20 0 GEADMN CC(C)[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1)N(C)C ZINC000735691197 607192171 /nfs/dbraw/zinc/19/21/71/607192171.db2.gz NJADXSXTZMBQKX-HNNXBMFYSA-N 0 1 385.497 2.439 20 0 GEADMN Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCC[C@H](C)C1 ZINC000822352414 607216925 /nfs/dbraw/zinc/21/69/25/607216925.db2.gz ZCAKZRPKQOSHPN-DHSIGJKJSA-N 0 1 394.483 2.450 20 0 GEADMN c1nnc([C@@H]2CCC[N@H+](CCOc3ccccc3-c3nn[nH]n3)C2)n1C1CC1 ZINC000823772371 607237147 /nfs/dbraw/zinc/23/71/47/607237147.db2.gz KJALRPKBXYCKHS-CQSZACIVSA-N 0 1 380.456 2.052 20 0 GEADMN O=c1[nH]c2ccccc2n1CCCn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000823657840 607237639 /nfs/dbraw/zinc/23/76/39/607237639.db2.gz VROMMPYWDOBVTF-UHFFFAOYSA-N 0 1 387.403 2.327 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000822535584 607251296 /nfs/dbraw/zinc/25/12/96/607251296.db2.gz XJWQBZCBEQBGHC-GJZGRUSLSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822535584 607251297 /nfs/dbraw/zinc/25/12/97/607251297.db2.gz XJWQBZCBEQBGHC-GJZGRUSLSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000822535584 607251298 /nfs/dbraw/zinc/25/12/98/607251298.db2.gz XJWQBZCBEQBGHC-GJZGRUSLSA-N 0 1 395.467 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822535584 607251299 /nfs/dbraw/zinc/25/12/99/607251299.db2.gz XJWQBZCBEQBGHC-GJZGRUSLSA-N 0 1 395.467 2.115 20 0 GEADMN O[C@H](CN1CCO[C@]2(CCc3ccccc32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502545 607803411 /nfs/dbraw/zinc/80/34/11/607803411.db2.gz FVEMLCMICIZWEO-TZIWHRDSSA-N 0 1 377.448 2.074 20 0 GEADMN CCOCCN1CCN(c2cc(-c3nn[nH]n3)ccc2C(F)(F)F)C[C@@H]1C ZINC000825599120 607841059 /nfs/dbraw/zinc/84/10/59/607841059.db2.gz HYLUGGAKQAGZGH-LBPRGKRZSA-N 0 1 384.406 2.433 20 0 GEADMN Clc1nsc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1-c1nnn[n-]1 ZINC000826354205 607848944 /nfs/dbraw/zinc/84/89/44/607848944.db2.gz SWJHDULBGVMJGJ-LLVKDONJSA-N 0 1 383.909 2.058 20 0 GEADMN Clc1nsc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826354205 607848945 /nfs/dbraw/zinc/84/89/45/607848945.db2.gz SWJHDULBGVMJGJ-LLVKDONJSA-N 0 1 383.909 2.058 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCCCSCC(C)C)cc1-c1nn[nH]n1 ZINC000826229650 607929781 /nfs/dbraw/zinc/92/97/81/607929781.db2.gz LYIGDZPSAKKTMZ-UHFFFAOYSA-N 0 1 382.515 2.198 20 0 GEADMN CN1CC[C@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@H]1c1ccccc1 ZINC000826029543 608006967 /nfs/dbraw/zinc/00/69/67/608006967.db2.gz SXRXRZHMPHVPCO-DOTOQJQBSA-N 0 1 384.390 2.320 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2C)c1-c1nnn[n-]1 ZINC000826077600 608019699 /nfs/dbraw/zinc/01/96/99/608019699.db2.gz NZFXOYNLTHHGCU-ZDUSSCGKSA-N 0 1 382.472 2.183 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2C)c1-c1nn[n-]n1 ZINC000826077600 608019700 /nfs/dbraw/zinc/01/97/00/608019700.db2.gz NZFXOYNLTHHGCU-ZDUSSCGKSA-N 0 1 382.472 2.183 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826077578 608021115 /nfs/dbraw/zinc/02/11/15/608021115.db2.gz NCSVQKNZGCCLSG-BFHYXJOUSA-N 0 1 386.504 2.287 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826077578 608021116 /nfs/dbraw/zinc/02/11/16/608021116.db2.gz NCSVQKNZGCCLSG-BFHYXJOUSA-N 0 1 386.504 2.287 20 0 GEADMN CC(=O)N1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)CC12CCCCC2 ZINC000823981420 608254986 /nfs/dbraw/zinc/25/49/86/608254986.db2.gz NOOWHQSNYLTRES-UHFFFAOYSA-N 0 1 384.484 2.113 20 0 GEADMN CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825192826 608264136 /nfs/dbraw/zinc/26/41/36/608264136.db2.gz JFGUIRPGHDCKSA-KGLIPLIRSA-N 0 1 380.456 2.254 20 0 GEADMN CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825192826 608264137 /nfs/dbraw/zinc/26/41/37/608264137.db2.gz JFGUIRPGHDCKSA-KGLIPLIRSA-N 0 1 380.456 2.254 20 0 GEADMN CN1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C(C)(C)C1 ZINC000826038325 608316480 /nfs/dbraw/zinc/31/64/80/608316480.db2.gz JWIUQWNHNKPBHX-UHFFFAOYSA-N 0 1 393.451 2.220 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000826168479 608358298 /nfs/dbraw/zinc/35/82/98/608358298.db2.gz OMTUDMRLTPNSKI-UHFFFAOYSA-N 0 1 396.451 2.171 20 0 GEADMN C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CCN1C[C@@H](O)c1ccccc1 ZINC000824983556 608391845 /nfs/dbraw/zinc/39/18/45/608391845.db2.gz BNAYKZNKPKKEBA-DNVCBOLYSA-N 0 1 396.470 2.246 20 0 GEADMN C[NH+](C)CC1CCN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)CC1 ZINC000825859607 608421862 /nfs/dbraw/zinc/42/18/62/608421862.db2.gz HTJGJXOZYNEXNF-UHFFFAOYSA-N 0 1 379.472 2.178 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)cc1 ZINC000826521738 608428662 /nfs/dbraw/zinc/42/86/62/608428662.db2.gz XCVBCOBJDITILP-HXUWFJFHSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)cc1 ZINC000826521738 608428663 /nfs/dbraw/zinc/42/86/63/608428663.db2.gz XCVBCOBJDITILP-HXUWFJFHSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)cc1 ZINC000826521738 608428664 /nfs/dbraw/zinc/42/86/64/608428664.db2.gz XCVBCOBJDITILP-HXUWFJFHSA-N 0 1 376.468 2.149 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)cc1 ZINC000826521738 608428665 /nfs/dbraw/zinc/42/86/65/608428665.db2.gz XCVBCOBJDITILP-HXUWFJFHSA-N 0 1 376.468 2.149 20 0 GEADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824005077 608433006 /nfs/dbraw/zinc/43/30/06/608433006.db2.gz JUHQELYNVRJACU-LBPRGKRZSA-N 0 1 379.424 2.114 20 0 GEADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826177895 608446225 /nfs/dbraw/zinc/44/62/25/608446225.db2.gz ABAOJAVPFJNILJ-ZDUSSCGKSA-N 0 1 396.451 2.482 20 0 GEADMN CC[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1OCC(=O)NC ZINC000825140804 608457909 /nfs/dbraw/zinc/45/79/09/608457909.db2.gz LNOLBPJLLYUOPE-KRWDZBQOSA-N 0 1 398.442 2.372 20 0 GEADMN C[C@H](NCC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562855 608459477 /nfs/dbraw/zinc/45/94/77/608459477.db2.gz KGHAZDJLFVGPDT-HNNXBMFYSA-N 0 1 376.464 2.365 20 0 GEADMN C[C@@H](NCC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562856 608459489 /nfs/dbraw/zinc/45/94/89/608459489.db2.gz KGHAZDJLFVGPDT-OAHLLOKOSA-N 0 1 376.464 2.365 20 0 GEADMN CCOc1cccc([C@H](C)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649518 608471799 /nfs/dbraw/zinc/47/17/99/608471799.db2.gz RAEVFEVHMLEASF-AWEZNQCLSA-N 0 1 380.452 2.232 20 0 GEADMN COc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826187866 608472278 /nfs/dbraw/zinc/47/22/78/608472278.db2.gz GVZYCIRLZSRSAA-LBPRGKRZSA-N 0 1 382.424 2.173 20 0 GEADMN O=C(c1nnc2ccccc2c1O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826474911 608487163 /nfs/dbraw/zinc/48/71/63/608487163.db2.gz KTFQGPAMFQYEHJ-UHFFFAOYSA-N 0 1 399.414 2.445 20 0 GEADMN CCS(=O)(=O)C[C@@H](C)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825659069 608526350 /nfs/dbraw/zinc/52/63/50/608526350.db2.gz NNSGNQRFGRPKFP-CQSZACIVSA-N 0 1 385.493 2.447 20 0 GEADMN CC(C)[C@H](NCc1ccc(-c2nn[nH]n2)cc1OC(F)F)C(=O)N1CCCC1 ZINC000824337587 608527214 /nfs/dbraw/zinc/52/72/14/608527214.db2.gz BMXLEBVEGVONTA-HNNXBMFYSA-N 0 1 394.426 2.205 20 0 GEADMN C[C@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000826232286 608528215 /nfs/dbraw/zinc/52/82/15/608528215.db2.gz RXASROJSENZKRZ-FZMZJTMJSA-N 0 1 375.379 2.235 20 0 GEADMN COc1ccc(OC)c(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826211276 608531015 /nfs/dbraw/zinc/53/10/15/608531015.db2.gz WFJBTROPBCIDFL-UHFFFAOYSA-N 0 1 394.435 2.101 20 0 GEADMN Cc1ccc(CNC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1F ZINC000826287789 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CC[C@@H](O)CN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000825153104 608732178 /nfs/dbraw/zinc/73/21/78/608732178.db2.gz FKWUOOGUWZGNFH-GOSISDBHSA-N 0 1 377.452 2.288 20 0 GEADMN Clc1cccc(N2CCN(CCNc3cnccc3-c3nn[nH]n3)CC2)c1 ZINC000826353170 608794095 /nfs/dbraw/zinc/79/40/95/608794095.db2.gz DYHGYWUCQQJMPE-UHFFFAOYSA-N 0 1 384.875 2.149 20 0 GEADMN Cc1cc(C)c(C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC000826262881 608836480 /nfs/dbraw/zinc/83/64/80/608836480.db2.gz BPMFODGWBQYGEV-MRXNPFEDSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC000826262881 608836483 /nfs/dbraw/zinc/83/64/83/608836483.db2.gz BPMFODGWBQYGEV-MRXNPFEDSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC000826262881 608836485 /nfs/dbraw/zinc/83/64/85/608836485.db2.gz BPMFODGWBQYGEV-MRXNPFEDSA-N 0 1 378.484 2.293 20 0 GEADMN Cc1cc(C)c(C[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC000826262881 608836486 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387.513 2.074 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000737188780 599107413 /nfs/dbraw/zinc/10/74/13/599107413.db2.gz GOMQBYDRHMIKIF-PWSUYJOCSA-N 0 1 387.513 2.074 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1cnn(-c2ccccc2)c1 ZINC000823118903 599126175 /nfs/dbraw/zinc/12/61/75/599126175.db2.gz UTWLJIYQHBBHKC-UHFFFAOYSA-N 0 1 397.398 2.250 20 0 GEADMN CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676232652 597069279 /nfs/dbraw/zinc/06/92/79/597069279.db2.gz GLCJBBQNSCSXTA-OAHLLOKOSA-N 0 1 375.469 2.294 20 0 GEADMN CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000676232651 597069747 /nfs/dbraw/zinc/06/97/47/597069747.db2.gz GLCJBBQNSCSXTA-HNNXBMFYSA-N 0 1 375.469 2.294 20 0 GEADMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000769755918 597074021 /nfs/dbraw/zinc/07/40/21/597074021.db2.gz LKRSGULWWXWNNX-HOTGVXAUSA-N 0 1 375.469 2.037 20 0 GEADMN COc1cc(-c2nnc(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)o2)cc(OC)c1OC ZINC000818556161 597086444 /nfs/dbraw/zinc/08/64/44/597086444.db2.gz SYEXEJXVHUJWPP-LBPRGKRZSA-N 0 1 391.424 2.449 20 0 GEADMN CCN(C)[C@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509516 599245344 /nfs/dbraw/zinc/24/53/44/599245344.db2.gz FCGUBVLJRCPRLC-SFHVURJKSA-N 0 1 380.452 2.055 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(CC2CCOCC2)c2ccc(Br)cc12 ZINC000738372447 599247078 /nfs/dbraw/zinc/24/70/78/599247078.db2.gz QKFISGLXUCRBIZ-UHFFFAOYSA-N 0 1 390.241 2.371 20 0 GEADMN O=C([O-])Cc1cccc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000738625215 597194328 /nfs/dbraw/zinc/19/43/28/597194328.db2.gz HRWCEFORRSQVPL-OAQYLSRUSA-N 0 1 383.448 2.072 20 0 GEADMN CC[C@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818149271 597338214 /nfs/dbraw/zinc/33/82/14/597338214.db2.gz VAUTZBVPYPYGHG-KRWDZBQOSA-N 0 1 385.468 2.139 20 0 GEADMN CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818149271 597338217 /nfs/dbraw/zinc/33/82/17/597338217.db2.gz VAUTZBVPYPYGHG-KRWDZBQOSA-N 0 1 385.468 2.139 20 0 GEADMN C[N@@H+](Cc1ccccc1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000666520126 597419225 /nfs/dbraw/zinc/41/92/25/597419225.db2.gz KKNIDJWXCPYIEF-LJQANCHMSA-N 0 1 389.496 2.446 20 0 GEADMN CN(C)c1cccc(CN(C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000821590707 607312364 /nfs/dbraw/zinc/31/23/64/607312364.db2.gz BPMCVOAWCLKDLO-IBGZPJMESA-N 0 1 391.479 2.170 20 0 GEADMN CC(C)[C@H](NC(=O)C[N@H+]1CC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262641276 597530257 /nfs/dbraw/zinc/53/02/57/597530257.db2.gz JALUEUICSFZYFE-BEFAXECRSA-N 0 1 376.453 2.068 20 0 GEADMN O=C([O-])[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000566357998 597531502 /nfs/dbraw/zinc/53/15/02/597531502.db2.gz QGERBYIUJFTJRI-GXSJLCMTSA-N 0 1 378.650 2.249 20 0 GEADMN O=C(NCCc1nc[nH]n1)c1ccccc1Sc1ccccc1-c1nn[nH]n1 ZINC000738094852 599282588 /nfs/dbraw/zinc/28/25/88/599282588.db2.gz NCDPIKPYSPNQCO-UHFFFAOYSA-N 0 1 392.448 2.109 20 0 GEADMN CCn1ncc2c1CCC[C@@H]2N[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736730895 599288775 /nfs/dbraw/zinc/28/87/75/599288775.db2.gz KEFPBZQVQSDKCY-LRDDRELGSA-N 0 1 380.456 2.077 20 0 GEADMN CCc1nc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])nn1-c1ccccc1Cl ZINC000820493074 598064973 /nfs/dbraw/zinc/06/49/73/598064973.db2.gz ZEHSBBZKAFRCFW-LBPRGKRZSA-N 0 1 392.843 2.189 20 0 GEADMN CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820311301 598173593 /nfs/dbraw/zinc/17/35/93/598173593.db2.gz TZZZOVHDOPRDNL-UHFFFAOYSA-N 0 1 375.469 2.294 20 0 GEADMN Fc1cc(-c2nn[nH]n2)ccc1NCCN1CCN(Cc2ccccc2)CC1 ZINC000737640121 598235149 /nfs/dbraw/zinc/23/51/49/598235149.db2.gz KIDDZLZRUHPIDE-UHFFFAOYSA-N 0 1 381.459 2.236 20 0 GEADMN O=C(CNC1(c2ccc(F)cc2)CCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737890782 598246774 /nfs/dbraw/zinc/24/67/74/598246774.db2.gz DHUIOIGJXWXMSA-UHFFFAOYSA-N 0 1 380.427 2.291 20 0 GEADMN CC(=O)Nc1cccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000735489305 598250272 /nfs/dbraw/zinc/25/02/72/598250272.db2.gz ZQMPDXWTDJBYME-UHFFFAOYSA-N 0 1 377.452 2.147 20 0 GEADMN Cc1nc(CN2CCCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)oc1C ZINC000737477791 598349520 /nfs/dbraw/zinc/34/95/20/598349520.db2.gz OVNYKMGYBBQGMR-UHFFFAOYSA-N 0 1 385.447 2.319 20 0 GEADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCc2ccc(O)cc2CC1 ZINC000735559891 598373991 /nfs/dbraw/zinc/37/39/91/598373991.db2.gz ASJSEQOEFURHJL-ZDUSSCGKSA-N 0 1 378.436 2.000 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1-c1nn[nH]n1 ZINC000737186979 598410645 /nfs/dbraw/zinc/41/06/45/598410645.db2.gz MVZAYLZUXLTLGQ-CYBMUJFWSA-N 0 1 386.412 2.246 20 0 GEADMN CCOc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cccc(COC)c1 ZINC000736635785 598451644 /nfs/dbraw/zinc/45/16/44/598451644.db2.gz ZCWXJHMGJWXOIQ-UHFFFAOYSA-N 0 1 389.437 2.213 20 0 GEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736267175 598459181 /nfs/dbraw/zinc/45/91/81/598459181.db2.gz QODHNQLPICHYCC-OAHLLOKOSA-N 0 1 391.479 2.424 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000737980965 598504708 /nfs/dbraw/zinc/50/47/08/598504708.db2.gz HEOXASWQPRGODY-UHFFFAOYSA-N 0 1 380.795 2.474 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1ccccc1Cl ZINC000737982898 598504911 /nfs/dbraw/zinc/50/49/11/598504911.db2.gz UMCPGGPWAXPETF-UHFFFAOYSA-N 0 1 380.795 2.474 20 0 GEADMN CNC(=O)c1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000736878752 598546248 /nfs/dbraw/zinc/54/62/48/598546248.db2.gz YXRKBMAPXQUIKI-UHFFFAOYSA-N 0 1 394.822 2.243 20 0 GEADMN O=S(=O)(CCc1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738331433 598549150 /nfs/dbraw/zinc/54/91/50/598549150.db2.gz SFMQLAHXWLBSSU-UHFFFAOYSA-N 0 1 395.391 2.453 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cc1-c1nn[nH]n1 ZINC000737186057 598618804 /nfs/dbraw/zinc/61/88/04/598618804.db2.gz FLGPGBVEOFKBOS-CYBMUJFWSA-N 0 1 398.448 2.170 20 0 GEADMN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000738167756 598630062 /nfs/dbraw/zinc/63/00/62/598630062.db2.gz UEKZUQFJZHQFSZ-UHFFFAOYSA-N 0 1 396.430 2.187 20 0 GEADMN CN(C)[C@@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000736759284 598664381 /nfs/dbraw/zinc/66/43/81/598664381.db2.gz LSSQLGDUBUDGPM-HNNXBMFYSA-N 0 1 388.522 2.439 20 0 GEADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)Nc1cccc(Oc2ccccc2)c1 ZINC000737986221 598677690 /nfs/dbraw/zinc/67/76/90/598677690.db2.gz FDBFRJDQKHSHHT-UHFFFAOYSA-N 0 1 388.387 2.459 20 0 GEADMN CN(C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)c1ccccc1 ZINC000736739072 598720978 /nfs/dbraw/zinc/72/09/78/598720978.db2.gz IKTUNLULLVONDK-UHFFFAOYSA-N 0 1 394.822 2.498 20 0 GEADMN C[C@H]1c2ccccc2OCCN1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305025 598763372 /nfs/dbraw/zinc/76/33/72/598763372.db2.gz SAQNSHHFALFWMT-GOEBONIOSA-N 0 1 381.436 2.062 20 0 GEADMN CCOc1cc(C)nc(N2CCN([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736626309 599316080 /nfs/dbraw/zinc/31/60/80/599316080.db2.gz RBROHIURRWVPFT-OAHLLOKOSA-N 0 1 394.483 2.247 20 0 GEADMN CC[C@@]1(C)CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820950128 599329098 /nfs/dbraw/zinc/32/90/98/599329098.db2.gz JYPHEWYDEUNFPI-FQEVSTJZSA-N 0 1 397.483 2.101 20 0 GEADMN COCc1nc(CNC2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000821695743 599419263 /nfs/dbraw/zinc/41/92/63/599419263.db2.gz GTSOHCIIQQRRPH-UHFFFAOYSA-N 0 1 385.497 2.228 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821979637 599448723 /nfs/dbraw/zinc/44/87/23/599448723.db2.gz UOVZWQSMXXJVLV-FZKQIMNGSA-N 0 1 382.449 2.149 20 0 GEADMN CN1CCN(c2ccc(CNc3c(Cl)cccc3-c3nn[nH]n3)cn2)CC1 ZINC000821628462 599467202 /nfs/dbraw/zinc/46/72/02/599467202.db2.gz JGYWCWFLZHXGBC-UHFFFAOYSA-N 0 1 384.875 2.279 20 0 GEADMN CCc1ccc(CCNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)cc1 ZINC000736682742 599494112 /nfs/dbraw/zinc/49/41/12/599494112.db2.gz LSGIJWWOAMZJAC-UHFFFAOYSA-N 0 1 384.465 2.224 20 0 GEADMN CCOCCN1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000821378633 599533636 /nfs/dbraw/zinc/53/36/36/599533636.db2.gz QPTNKDCFVDOEQQ-GFCCVEGCSA-N 0 1 384.406 2.433 20 0 GEADMN C[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)CN1CCOCC1 ZINC000736027028 599534653 /nfs/dbraw/zinc/53/46/53/599534653.db2.gz VKIAUAOZQYVCLN-LLVKDONJSA-N 0 1 389.410 2.073 20 0 GEADMN CC(C)[C@H]1CN(C)CCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735749506 599539377 /nfs/dbraw/zinc/53/93/77/599539377.db2.gz MZJHKIATZAMCJG-CQSZACIVSA-N 0 1 379.921 2.489 20 0 GEADMN C[C@@H]1c2ccc(F)cc2CCN1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302927 599591316 /nfs/dbraw/zinc/59/13/16/599591316.db2.gz IPZNXNGVMRBJJL-CXAGYDPISA-N 0 1 383.427 2.365 20 0 GEADMN O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822997597 599640872 /nfs/dbraw/zinc/64/08/72/599640872.db2.gz SVXHYDWUWJCOGO-RHSMWYFYSA-N 0 1 392.467 2.255 20 0 GEADMN O=C(C[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822997597 599640873 /nfs/dbraw/zinc/64/08/73/599640873.db2.gz SVXHYDWUWJCOGO-RHSMWYFYSA-N 0 1 392.467 2.255 20 0 GEADMN COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821890696 599643282 /nfs/dbraw/zinc/64/32/82/599643282.db2.gz OBZKOFUALRAYHQ-CQSZACIVSA-N 0 1 380.452 2.377 20 0 GEADMN CC[C@](C)(NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1nc(C)cs1 ZINC000820854089 599645343 /nfs/dbraw/zinc/64/53/43/599645343.db2.gz RIWFSSQSMNVJSI-KSSFIOAISA-N 0 1 388.497 2.286 20 0 GEADMN C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)C1 ZINC000820722862 599654853 /nfs/dbraw/zinc/65/48/53/599654853.db2.gz QFTVFUOYIOOVQJ-CQSZACIVSA-N 0 1 393.451 2.235 20 0 GEADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)C1 ZINC000820722862 599654854 /nfs/dbraw/zinc/65/48/54/599654854.db2.gz QFTVFUOYIOOVQJ-CQSZACIVSA-N 0 1 393.451 2.235 20 0 GEADMN C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C1 ZINC000820722862 599654855 /nfs/dbraw/zinc/65/48/55/599654855.db2.gz QFTVFUOYIOOVQJ-CQSZACIVSA-N 0 1 393.451 2.235 20 0 GEADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C1 ZINC000820722862 599654856 /nfs/dbraw/zinc/65/48/56/599654856.db2.gz QFTVFUOYIOOVQJ-CQSZACIVSA-N 0 1 393.451 2.235 20 0 GEADMN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCN(C)CC12CCCCC2 ZINC000820542212 599692312 /nfs/dbraw/zinc/69/23/12/599692312.db2.gz MFJGQEZZOBUSJC-HNNXBMFYSA-N 0 1 384.484 2.111 20 0 GEADMN CC(C)[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000736354322 599715527 /nfs/dbraw/zinc/71/55/27/599715527.db2.gz WERUKRXDOOOMNV-MRXNPFEDSA-N 0 1 381.452 2.309 20 0 GEADMN Cc1[nH]c(C(=O)C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738155080 599719218 /nfs/dbraw/zinc/71/92/18/599719218.db2.gz ZHEUHYVPUZDXFU-CYBMUJFWSA-N 0 1 379.457 2.359 20 0 GEADMN Cc1[nH]c(C(=O)C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738155080 599719219 /nfs/dbraw/zinc/71/92/19/599719219.db2.gz ZHEUHYVPUZDXFU-CYBMUJFWSA-N 0 1 379.457 2.359 20 0 GEADMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3occc3C(=O)[O-])C2)cc1 ZINC000516777272 599719696 /nfs/dbraw/zinc/71/96/96/599719696.db2.gz TUBQJVVMKMBEIA-HNNXBMFYSA-N 0 1 392.477 2.477 20 0 GEADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736206885 599719745 /nfs/dbraw/zinc/71/97/45/599719745.db2.gz ZSDMENXLJCCEST-GOEBONIOSA-N 0 1 397.516 2.029 20 0 GEADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736206885 599719746 /nfs/dbraw/zinc/71/97/46/599719746.db2.gz ZSDMENXLJCCEST-GOEBONIOSA-N 0 1 397.516 2.029 20 0 GEADMN CC[NH+](CC)CC1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000737086232 599761226 /nfs/dbraw/zinc/76/12/26/599761226.db2.gz IANJFLKXZPWYJF-INIZCTEOSA-N 0 1 375.513 2.443 20 0 GEADMN COc1ccc([C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C(=O)[O-])cc1 ZINC000737960095 599763032 /nfs/dbraw/zinc/76/30/32/599763032.db2.gz UQMHNKMSNXYZSU-MJGOQNOKSA-N 0 1 383.448 2.244 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000379612755 599775431 /nfs/dbraw/zinc/77/54/31/599775431.db2.gz VGKYXVAOSISOAK-HNNXBMFYSA-N 0 1 378.450 2.311 20 0 GEADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000379612755 599775434 /nfs/dbraw/zinc/77/54/34/599775434.db2.gz VGKYXVAOSISOAK-HNNXBMFYSA-N 0 1 378.450 2.311 20 0 GEADMN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)[NH+]2CCCC2)cc1 ZINC000738570394 599775989 /nfs/dbraw/zinc/77/59/89/599775989.db2.gz RDJUXTGLSGSAQB-OAHLLOKOSA-N 0 1 378.450 2.402 20 0 GEADMN C[C@@H](OC(=O)c1ccccc1C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000736698451 599788720 /nfs/dbraw/zinc/78/87/20/599788720.db2.gz PYFHTLPELOBJLE-NVXWUHKLSA-N 0 1 396.443 2.321 20 0 GEADMN O=C([O-])COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000739822923 599808816 /nfs/dbraw/zinc/80/88/16/599808816.db2.gz FLDCJHLEXUTYGY-FQEVSTJZSA-N 0 1 384.432 2.287 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736808906 599831734 /nfs/dbraw/zinc/83/17/34/599831734.db2.gz KSJKBPBQNZBFBL-JTDSTZFVSA-N 0 1 389.496 2.211 20 0 GEADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736808906 599831735 /nfs/dbraw/zinc/83/17/35/599831735.db2.gz KSJKBPBQNZBFBL-JTDSTZFVSA-N 0 1 389.496 2.211 20 0 GEADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736808909 599831812 /nfs/dbraw/zinc/83/18/12/599831812.db2.gz KSJKBPBQNZBFBL-MDZRGWNJSA-N 0 1 389.496 2.211 20 0 GEADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1=O ZINC000737114595 599835480 /nfs/dbraw/zinc/83/54/80/599835480.db2.gz KQYHZWOYEPVSSQ-JSGCOSHPSA-N 0 1 392.431 2.187 20 0 GEADMN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736740430 599840135 /nfs/dbraw/zinc/84/01/35/599840135.db2.gz BDWMUHQAUPIKRK-UWJYYQICSA-N 0 1 385.464 2.229 20 0 GEADMN CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000737027291 599867377 /nfs/dbraw/zinc/86/73/77/599867377.db2.gz AELGTPNBGFNVOA-KRWDZBQOSA-N 0 1 392.452 2.391 20 0 GEADMN CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000737027293 599867441 /nfs/dbraw/zinc/86/74/41/599867441.db2.gz AELGTPNBGFNVOA-QGZVFWFLSA-N 0 1 392.452 2.391 20 0 GEADMN O=C([O-])Nc1ccccc1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000740057560 599867614 /nfs/dbraw/zinc/86/76/14/599867614.db2.gz YNJAYJJHWOIJOG-UHFFFAOYSA-N 0 1 397.431 2.278 20 0 GEADMN CCOc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1OCC(=O)[O-] ZINC000737186145 599932402 /nfs/dbraw/zinc/93/24/02/599932402.db2.gz AYFOPVKLBSFPSK-LSDHHAIUSA-N 0 1 378.469 2.399 20 0 GEADMN CCOc1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1OCC(=O)[O-] ZINC000737186143 599932443 /nfs/dbraw/zinc/93/24/43/599932443.db2.gz AYFOPVKLBSFPSK-GJZGRUSLSA-N 0 1 378.469 2.399 20 0 GEADMN CC(C)[C@@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736807723 599941478 /nfs/dbraw/zinc/94/14/78/599941478.db2.gz LYMNVLPDMYPBCR-RRIFGTCXSA-N 0 1 394.487 2.319 20 0 GEADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000736824773 599942457 /nfs/dbraw/zinc/94/24/57/599942457.db2.gz QXFPTQNBJAHACW-PGRDOPGGSA-N 0 1 397.519 2.388 20 0 GEADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000736824773 599942460 /nfs/dbraw/zinc/94/24/60/599942460.db2.gz QXFPTQNBJAHACW-PGRDOPGGSA-N 0 1 397.519 2.388 20 0 GEADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000736824773 599942462 /nfs/dbraw/zinc/94/24/62/599942462.db2.gz QXFPTQNBJAHACW-PGRDOPGGSA-N 0 1 397.519 2.388 20 0 GEADMN Cc1ccc(CN2CCCN(C(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)CC2)cc1 ZINC000738598005 599948187 /nfs/dbraw/zinc/94/81/87/599948187.db2.gz NAGUGAIHMBIIKA-GOSISDBHSA-N 0 1 387.524 2.214 20 0 GEADMN Cc1ccc(CN2CCCN(C(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)CC2)cc1 ZINC000738598005 599948188 /nfs/dbraw/zinc/94/81/88/599948188.db2.gz NAGUGAIHMBIIKA-GOSISDBHSA-N 0 1 387.524 2.214 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000738521740 599957357 /nfs/dbraw/zinc/95/73/57/599957357.db2.gz ZPEGYDHNDVBUIW-WBVHZDCISA-N 0 1 397.479 2.411 20 0 GEADMN Cc1ccc(N2CCC[C@@H]([N@H+](C)CC(=O)Nc3ccsc3C(=O)[O-])C2)nn1 ZINC000738616467 599957422 /nfs/dbraw/zinc/95/74/22/599957422.db2.gz QEWHXVQLOVMNDD-CYBMUJFWSA-N 0 1 389.481 2.084 20 0 GEADMN Cc1ccc(N2CCC[C@@H]([N@@H+](C)CC(=O)Nc3ccsc3C(=O)[O-])C2)nn1 ZINC000738616467 599957424 /nfs/dbraw/zinc/95/74/24/599957424.db2.gz QEWHXVQLOVMNDD-CYBMUJFWSA-N 0 1 389.481 2.084 20 0 GEADMN Cc1[nH]c(C(=O)C[N@@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738278691 599957618 /nfs/dbraw/zinc/95/76/18/599957618.db2.gz PUANHIQKEZGSRC-OAHLLOKOSA-N 0 1 385.468 2.212 20 0 GEADMN Cc1[nH]c(C(=O)C[N@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738278691 599957619 /nfs/dbraw/zinc/95/76/19/599957619.db2.gz PUANHIQKEZGSRC-OAHLLOKOSA-N 0 1 385.468 2.212 20 0 GEADMN C[C@H](O)C[N@H+]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000736678932 599959625 /nfs/dbraw/zinc/95/96/25/599959625.db2.gz ZKSJNJLKVPZECC-KBPBESRZSA-N 0 1 375.494 2.395 20 0 GEADMN CCOCC[N@@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C[C@H]1C ZINC000737177451 599961833 /nfs/dbraw/zinc/96/18/33/599961833.db2.gz OLISKOROIRWCDJ-GFCCVEGCSA-N 0 1 383.514 2.044 20 0 GEADMN CCOCC[N@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C[C@H]1C ZINC000737177451 599961834 /nfs/dbraw/zinc/96/18/34/599961834.db2.gz OLISKOROIRWCDJ-GFCCVEGCSA-N 0 1 383.514 2.044 20 0 GEADMN O=C([O-])c1ccc(OCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000740165766 599962048 /nfs/dbraw/zinc/96/20/48/599962048.db2.gz QKEPRHPUBNLXDL-UHFFFAOYSA-N 0 1 383.448 2.291 20 0 GEADMN CCOCC[N@@H+]1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C[C@@H]1CC ZINC000737176717 599962413 /nfs/dbraw/zinc/96/24/13/599962413.db2.gz ONJGSMBCKUISDH-HOTGVXAUSA-N 0 1 379.501 2.334 20 0 GEADMN CCOCC[N@H+]1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C[C@@H]1CC ZINC000737176717 599962415 /nfs/dbraw/zinc/96/24/15/599962415.db2.gz ONJGSMBCKUISDH-HOTGVXAUSA-N 0 1 379.501 2.334 20 0 GEADMN Cc1cc(N2CCC[C@@H](OC(=O)c3ccc(OCC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408322 599966804 /nfs/dbraw/zinc/96/68/04/599966804.db2.gz NCDXPGSFUWPZCO-QGZVFWFLSA-N 0 1 385.420 2.383 20 0 GEADMN Cc1cc(N2CCC[C@H](OC(=O)c3ccc(OCC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408320 599966822 /nfs/dbraw/zinc/96/68/22/599966822.db2.gz NCDXPGSFUWPZCO-KRWDZBQOSA-N 0 1 385.420 2.383 20 0 GEADMN CCOC[C@@H](O)C[NH+]1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737161073 599972290 /nfs/dbraw/zinc/97/22/90/599972290.db2.gz DABUNPXHWDNTTJ-AWEZNQCLSA-N 0 1 378.494 2.115 20 0 GEADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000738909644 599974498 /nfs/dbraw/zinc/97/44/98/599974498.db2.gz RAVLKWLYYHQDGM-KWZJRMENSA-N 0 1 378.498 2.065 20 0 GEADMN Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)no1 ZINC000738852489 599980829 /nfs/dbraw/zinc/98/08/29/599980829.db2.gz XEFGFSOLRGIVKZ-CZUORRHYSA-N 0 1 386.452 2.036 20 0 GEADMN Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)no1 ZINC000738852489 599980830 /nfs/dbraw/zinc/98/08/30/599980830.db2.gz XEFGFSOLRGIVKZ-CZUORRHYSA-N 0 1 386.452 2.036 20 0 GEADMN C[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736595142 600017012 /nfs/dbraw/zinc/01/70/12/600017012.db2.gz JCSXGOOJQPXKFJ-AOCRQIFASA-N 0 1 388.512 2.140 20 0 GEADMN Cc1cccc(C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C(=O)[O-])c1 ZINC000738697865 600064394 /nfs/dbraw/zinc/06/43/94/600064394.db2.gz CMXKZKGLIFFGGT-XEYPJELSSA-N 0 1 390.524 2.488 20 0 GEADMN C[C@H](C[N@H+](CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O)C1CC1)C(=O)[O-] ZINC000736578591 600077866 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CCOCC[N@H+]1CCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)C[C@H]1C ZINC000739487175 602997068 /nfs/dbraw/zinc/99/70/68/602997068.db2.gz ISTAYUHBVGRUBP-CYBMUJFWSA-N 0 1 380.445 2.360 20 0 GEADMN COCC[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C[C@H]1C ZINC000739836587 602997986 /nfs/dbraw/zinc/99/79/86/602997986.db2.gz YUJJJLXJGUWOQT-CQSZACIVSA-N 0 1 376.457 2.302 20 0 GEADMN COCC[N@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C[C@H]1C ZINC000739836587 602997989 /nfs/dbraw/zinc/99/79/89/602997989.db2.gz YUJJJLXJGUWOQT-CQSZACIVSA-N 0 1 376.457 2.302 20 0 GEADMN Cc1nc(C[NH+]2CCC(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CC2)cs1 ZINC000740223450 603008918 /nfs/dbraw/zinc/00/89/18/603008918.db2.gz KYXOWLSDAQROHM-ZXFUBFMLSA-N 0 1 392.525 2.453 20 0 GEADMN O=C([O-])N[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000740536249 603017926 /nfs/dbraw/zinc/01/79/26/603017926.db2.gz JFBRGOAQPWJYSJ-RBUKOAKNSA-N 0 1 383.448 2.013 20 0 GEADMN O=C([O-])N[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 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389.496 2.345 20 0 GEADMN CC[C@@H]1CN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000826675790 603092377 /nfs/dbraw/zinc/09/23/77/603092377.db2.gz RAYXORVGTNNCET-RWQQGDIJSA-N 0 1 389.496 2.201 20 0 GEADMN O=C([O-])NCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000740651154 603140335 /nfs/dbraw/zinc/14/03/35/603140335.db2.gz FUTHWEQTNPHOSO-CQSZACIVSA-N 0 1 388.390 2.237 20 0 GEADMN O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000740566786 603177966 /nfs/dbraw/zinc/17/79/66/603177966.db2.gz CJYUPJXZGBPSFO-SJLPKXTDSA-N 0 1 375.469 2.326 20 0 GEADMN CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000738808148 603220781 /nfs/dbraw/zinc/22/07/81/603220781.db2.gz UXAWKUFCLOPVQF-YLJYHZDGSA-N 0 1 376.501 2.482 20 0 GEADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828258498 603223256 /nfs/dbraw/zinc/22/32/56/603223256.db2.gz FFOYRNQTAIYBNF-RBUKOAKNSA-N 0 1 389.496 2.126 20 0 GEADMN 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C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)cc2)C[C@@H](C)O1 ZINC000739184323 603331991 /nfs/dbraw/zinc/33/19/91/603331991.db2.gz KAUZDUKSSRLHLS-NNFUDEMPSA-N 0 1 389.496 2.414 20 0 GEADMN CC(C)c1nn(C)c2sc(C(=O)NCCC[NH+]3CCN(C(=O)[O-])CC3)cc12 ZINC000824503030 603348123 /nfs/dbraw/zinc/34/81/23/603348123.db2.gz ITRCDHLQNOHZAP-UHFFFAOYSA-N 0 1 393.513 2.174 20 0 GEADMN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)cc1 ZINC000830282791 603348900 /nfs/dbraw/zinc/34/89/00/603348900.db2.gz UUNHBBBAQXKCEY-RBUKOAKNSA-N 0 1 389.496 2.265 20 0 GEADMN CC(C)[C@H](CNC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000738787273 603359251 /nfs/dbraw/zinc/35/92/51/603359251.db2.gz XATMMWFYCIXJKU-KRWDZBQOSA-N 0 1 378.473 2.275 20 0 GEADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000824257316 603363368 /nfs/dbraw/zinc/36/33/68/603363368.db2.gz OSXKMKUFUNTRPT-WMLDXEAASA-N 0 1 378.473 2.494 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)cn1 ZINC000830819081 603375575 /nfs/dbraw/zinc/37/55/75/603375575.db2.gz VLYVGERGBWGALN-KRWDZBQOSA-N 0 1 379.420 2.243 20 0 GEADMN O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000740707739 603383432 /nfs/dbraw/zinc/38/34/32/603383432.db2.gz QKZOXBPAPJLCEK-HNNXBMFYSA-N 0 1 386.408 2.261 20 0 GEADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739114066 603398076 /nfs/dbraw/zinc/39/80/76/603398076.db2.gz XJCYLRTUPFTVKR-NWDGAFQWSA-N 0 1 380.420 2.091 20 0 GEADMN COc1cc(NC(=O)CC[N@H+]2CCC[C@@H](NC(=O)[O-])C2)c(OC)cc1Cl ZINC000829154246 603401667 /nfs/dbraw/zinc/40/16/67/603401667.db2.gz WQOVRLSGYPARID-LLVKDONJSA-N 0 1 385.848 2.418 20 0 GEADMN CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000827643163 603404813 /nfs/dbraw/zinc/40/48/13/603404813.db2.gz OPACGNHUMYZIMI-QYZOEREBSA-N 0 1 386.496 2.322 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCCN(CCC[N@H+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717552 603408935 /nfs/dbraw/zinc/40/89/35/603408935.db2.gz RJCJLYOVXYXHPH-JKSUJKDBSA-N 0 1 384.521 2.098 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CCCN2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717552 603408938 /nfs/dbraw/zinc/40/89/38/603408938.db2.gz RJCJLYOVXYXHPH-JKSUJKDBSA-N 0 1 384.521 2.098 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCCN2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717552 603408940 /nfs/dbraw/zinc/40/89/40/603408940.db2.gz RJCJLYOVXYXHPH-JKSUJKDBSA-N 0 1 384.521 2.098 20 0 GEADMN C[C@@H](c1ccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000739058406 603413195 /nfs/dbraw/zinc/41/31/95/603413195.db2.gz PCYZBFRFQLZPNT-MAUKXSAKSA-N 0 1 391.468 2.177 20 0 GEADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739175226 603413402 /nfs/dbraw/zinc/41/34/02/603413402.db2.gz KBPWMQQLVDZIFW-KEYYUXOJSA-N 0 1 388.468 2.118 20 0 GEADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739175226 603413405 /nfs/dbraw/zinc/41/34/05/603413405.db2.gz KBPWMQQLVDZIFW-KEYYUXOJSA-N 0 1 388.468 2.118 20 0 GEADMN CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])c2C1 ZINC000738768236 603428595 /nfs/dbraw/zinc/42/85/95/603428595.db2.gz QEGJASQKSIWEFI-CQSZACIVSA-N 0 1 390.484 2.101 20 0 GEADMN CCN(CC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC1)C(=O)[O-] ZINC000827093738 603508213 /nfs/dbraw/zinc/50/82/13/603508213.db2.gz UHCZGJGXKFUWEJ-ZBFHGGJFSA-N 0 1 382.505 2.103 20 0 GEADMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000825192953 603554086 /nfs/dbraw/zinc/55/40/86/603554086.db2.gz FRDQNWFFIMFWRN-UKRRQHHQSA-N 0 1 390.509 2.466 20 0 GEADMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000825192953 603554088 /nfs/dbraw/zinc/55/40/88/603554088.db2.gz FRDQNWFFIMFWRN-UKRRQHHQSA-N 0 1 390.509 2.466 20 0 GEADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1OC ZINC000827215451 603567527 /nfs/dbraw/zinc/56/75/27/603567527.db2.gz RCTKFHAJZKOQGA-GOEBONIOSA-N 0 1 378.473 2.130 20 0 GEADMN COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cc1OC ZINC000829093037 603582029 /nfs/dbraw/zinc/58/20/29/603582029.db2.gz BCRNTGCSOBPNJQ-LSDHHAIUSA-N 0 1 393.484 2.264 20 0 GEADMN COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cc1OC ZINC000829093037 603582030 /nfs/dbraw/zinc/58/20/30/603582030.db2.gz BCRNTGCSOBPNJQ-LSDHHAIUSA-N 0 1 393.484 2.264 20 0 GEADMN CCN(Cc1ccccc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(=O)[O-] ZINC000827182026 603588650 /nfs/dbraw/zinc/58/86/50/603588650.db2.gz DKHRNTFHPXGIGH-CRAIPNDOSA-N 0 1 390.484 2.371 20 0 GEADMN C[N@@H+](CC1CCCCC1)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000828175699 603591690 /nfs/dbraw/zinc/59/16/90/603591690.db2.gz KVDVLACILRLLLA-HNAYVOBHSA-N 0 1 380.489 2.204 20 0 GEADMN CC1CCC([N@@H+](C)CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)CC1 ZINC000825880291 603593755 /nfs/dbraw/zinc/59/37/55/603593755.db2.gz KMZGYYPKPBQBOB-XPQSHANDSA-N 0 1 380.489 2.203 20 0 GEADMN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000823711850 603627909 /nfs/dbraw/zinc/62/79/09/603627909.db2.gz FCCMJMYWXDCBTJ-OAHLLOKOSA-N 0 1 392.500 2.076 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cn1 ZINC000830818946 603632304 /nfs/dbraw/zinc/63/23/04/603632304.db2.gz SGVBMMHHQNCYIT-UHFFFAOYSA-N 0 1 386.456 2.296 20 0 GEADMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000830823392 603644780 /nfs/dbraw/zinc/64/47/80/603644780.db2.gz GCTWSYSXJHMLDL-SFHVURJKSA-N 0 1 385.468 2.376 20 0 GEADMN NC(=O)[C@@H]([NH2+]CC1CCN(C(=O)[O-])CC1)c1ccc(Br)cc1F ZINC000831167962 603644865 /nfs/dbraw/zinc/64/48/65/603644865.db2.gz UIRORXDQRXRHRR-ZDUSSCGKSA-N 0 1 388.237 2.094 20 0 GEADMN Cc1ccc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)nc1 ZINC000826288157 607643516 /nfs/dbraw/zinc/64/35/16/607643516.db2.gz UBAGUXATSQAGSH-UHFFFAOYSA-N 0 1 392.423 2.140 20 0 GEADMN C[C@H](NC(=O)C1(CNC(=O)[O-])CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000825074841 603684421 /nfs/dbraw/zinc/68/44/21/603684421.db2.gz KJLUTKYGGQHTLN-FUHWJXTLSA-N 0 1 389.496 2.220 20 0 GEADMN C[C@H](NC(=O)C1(CNC(=O)[O-])CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000825074841 603684425 /nfs/dbraw/zinc/68/44/25/603684425.db2.gz KJLUTKYGGQHTLN-FUHWJXTLSA-N 0 1 389.496 2.220 20 0 GEADMN C[C@@H](NC(=O)C1(CNC(=O)[O-])CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000825074842 603684781 /nfs/dbraw/zinc/68/47/81/603684781.db2.gz KJLUTKYGGQHTLN-SJLPKXTDSA-N 0 1 389.496 2.220 20 0 GEADMN C[C@@H](NC(=O)C1(CNC(=O)[O-])CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000825074842 603684788 /nfs/dbraw/zinc/68/47/88/603684788.db2.gz KJLUTKYGGQHTLN-SJLPKXTDSA-N 0 1 389.496 2.220 20 0 GEADMN C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C1CCCCC1 ZINC000828388100 603689961 /nfs/dbraw/zinc/68/99/61/603689961.db2.gz OUFZWMUKCFRQFX-RTBURBONSA-N 0 1 389.496 2.181 20 0 GEADMN O=C([O-])N[C@@H](CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000832134512 603718332 /nfs/dbraw/zinc/71/83/32/603718332.db2.gz ACWMEYYCISKKOA-INIZCTEOSA-N 0 1 388.493 2.414 20 0 GEADMN O=C([O-])N[C@@H](CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000832134512 603718336 /nfs/dbraw/zinc/71/83/36/603718336.db2.gz ACWMEYYCISKKOA-INIZCTEOSA-N 0 1 388.493 2.414 20 0 GEADMN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1CNC(=O)[O-] ZINC000825925583 603721399 /nfs/dbraw/zinc/72/13/99/603721399.db2.gz PYQLEJSDYOQXSL-ZFWWWQNUSA-N 0 1 377.441 2.155 20 0 GEADMN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1CNC(=O)[O-] ZINC000825925583 603721401 /nfs/dbraw/zinc/72/14/01/603721401.db2.gz PYQLEJSDYOQXSL-ZFWWWQNUSA-N 0 1 377.441 2.155 20 0 GEADMN O=C([O-])NC[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000832552004 603737499 /nfs/dbraw/zinc/73/74/99/603737499.db2.gz XDPPGYNXZZYMLF-CABCVRRESA-N 0 1 380.514 2.402 20 0 GEADMN C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])cc1 ZINC000828017360 603767623 /nfs/dbraw/zinc/76/76/23/603767623.db2.gz LPIKOIVMYPJFKT-JQFCIGGWSA-N 0 1 388.468 2.436 20 0 GEADMN Cc1cccc(N2CCN(C(=O)C[N@H+](C)C3CCC(NC(=O)[O-])CC3)CC2)c1 ZINC000830506243 603790808 /nfs/dbraw/zinc/79/08/08/603790808.db2.gz XCOKNMVEHRRJHY-UHFFFAOYSA-N 0 1 388.512 2.154 20 0 GEADMN CCC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000826774913 603824510 /nfs/dbraw/zinc/82/45/10/603824510.db2.gz LLQOSRRYPQJWGA-SPYBWZPUSA-N 0 1 380.489 2.204 20 0 GEADMN CCC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000826774915 603824840 /nfs/dbraw/zinc/82/48/40/603824840.db2.gz LLQOSRRYPQJWGA-ZRGWGRIASA-N 0 1 380.489 2.204 20 0 GEADMN O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831403471 603923974 /nfs/dbraw/zinc/92/39/74/603923974.db2.gz XAAJCCCVZPVDHZ-XVLXNVKGSA-N 0 1 387.480 2.067 20 0 GEADMN O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831403471 603923977 /nfs/dbraw/zinc/92/39/77/603923977.db2.gz XAAJCCCVZPVDHZ-XVLXNVKGSA-N 0 1 387.480 2.067 20 0 GEADMN COC1(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CCN(C(=O)[O-])CC1 ZINC000828849555 603971013 /nfs/dbraw/zinc/97/10/13/603971013.db2.gz RCIVDBBIHUAUHF-KRWDZBQOSA-N 0 1 389.496 2.268 20 0 GEADMN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823694366 603973421 /nfs/dbraw/zinc/97/34/21/603973421.db2.gz QKHFVHLDXHQPOX-OIISXLGYSA-N 0 1 384.480 2.432 20 0 GEADMN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823694366 603973423 /nfs/dbraw/zinc/97/34/23/603973423.db2.gz QKHFVHLDXHQPOX-OIISXLGYSA-N 0 1 384.480 2.432 20 0 GEADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000824256534 603978044 /nfs/dbraw/zinc/97/80/44/603978044.db2.gz DVCKAAFWJNXGPW-AWEZNQCLSA-N 0 1 376.457 2.205 20 0 GEADMN CCOc1ccc(NC(=O)C[N@@H+](C)C2CCN(C(=O)[O-])CC2)cc1OCC ZINC000827440069 603988186 /nfs/dbraw/zinc/98/81/86/603988186.db2.gz XKQVPOYEYMWBMC-UHFFFAOYSA-N 0 1 379.457 2.497 20 0 GEADMN COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)C1CCN(C(=O)[O-])CC1 ZINC000828737929 603989256 /nfs/dbraw/zinc/98/92/56/603989256.db2.gz FPDJPEYXDNPVOI-UHFFFAOYSA-N 0 1 383.470 2.164 20 0 GEADMN CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C2CCN(C(=O)[O-])CC2)cc1OC ZINC000827427065 603994050 /nfs/dbraw/zinc/99/40/50/603994050.db2.gz DTNKTCGPKNQVRW-CQSZACIVSA-N 0 1 393.484 2.345 20 0 GEADMN O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)C[C@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000831402823 604020567 /nfs/dbraw/zinc/02/05/67/604020567.db2.gz PABUGSXSCVHSCD-QYZOEREBSA-N 0 1 387.480 2.021 20 0 GEADMN O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)C[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000831402823 604020573 /nfs/dbraw/zinc/02/05/73/604020573.db2.gz PABUGSXSCVHSCD-QYZOEREBSA-N 0 1 387.480 2.021 20 0 GEADMN COc1ccccc1[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)[O-] ZINC000829596946 604021265 /nfs/dbraw/zinc/02/12/65/604021265.db2.gz DESRKYWVCWNHCA-DZKIICNBSA-N 0 1 378.473 2.128 20 0 GEADMN CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C[C@@H]1C ZINC000827208841 604046786 /nfs/dbraw/zinc/04/67/86/604046786.db2.gz WFXAWPGDQUANGP-VBQJREDUSA-N 0 1 390.484 2.285 20 0 GEADMN COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3CN(C)C(=O)[O-])n2)c(OC)c1 ZINC000829249214 604103430 /nfs/dbraw/zinc/10/34/30/604103430.db2.gz AEDHLPVYVGTBBB-GFCCVEGCSA-N 0 1 376.413 2.328 20 0 GEADMN COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3CN(C)C(=O)[O-])n2)c(OC)c1 ZINC000829249214 604103436 /nfs/dbraw/zinc/10/34/36/604103436.db2.gz AEDHLPVYVGTBBB-GFCCVEGCSA-N 0 1 376.413 2.328 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000830825030 604124884 /nfs/dbraw/zinc/12/48/84/604124884.db2.gz YGJXMTQGQRBCEI-CZUORRHYSA-N 0 1 386.456 2.153 20 0 GEADMN 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GEADMN C[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000820276168 606884005 /nfs/dbraw/zinc/88/40/05/606884005.db2.gz TVJGQZPVKKWYMN-SNVBAGLBSA-N 0 1 379.392 2.227 20 0 GEADMN CCC(CC)(CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)SC ZINC000820887630 606893586 /nfs/dbraw/zinc/89/35/86/606893586.db2.gz JTKSBQXSMMLVCM-UHFFFAOYSA-N 0 1 391.469 2.345 20 0 GEADMN CN(Cc1cc(Br)cn1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607450 606911610 /nfs/dbraw/zinc/91/16/10/606911610.db2.gz OXQQEQBDKVRRHU-OAHLLOKOSA-N 0 1 391.273 2.133 20 0 GEADMN CCc1nnc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(-c2nn[nH]n2)c1CC ZINC000821536177 606918714 /nfs/dbraw/zinc/91/87/14/606918714.db2.gz SDILTALTDHKZIX-STQMWFEESA-N 0 1 388.520 2.081 20 0 GEADMN CN(CCOc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Br)cn1C ZINC000821603866 606985157 /nfs/dbraw/zinc/98/51/57/606985157.db2.gz RWRBWEZFNBOMEF-UHFFFAOYSA-N 0 1 391.273 2.479 20 0 GEADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821637864 607014339 /nfs/dbraw/zinc/01/43/39/607014339.db2.gz WUCIEIGCDLNIJL-QWHCGFSZSA-N 0 1 386.481 2.187 20 0 GEADMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000821572292 607072253 /nfs/dbraw/zinc/07/22/53/607072253.db2.gz YUOXURNTPSQYMB-AWEZNQCLSA-N 0 1 376.436 2.447 20 0 GEADMN O[C@@]12CCCC[C@@H]1CN(Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000823698728 607075633 /nfs/dbraw/zinc/07/56/33/607075633.db2.gz QUQZIDBYPMTHAD-DNVCBOLYSA-N 0 1 381.440 2.044 20 0 GEADMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997077 607107461 /nfs/dbraw/zinc/10/74/61/607107461.db2.gz MTXIIPODXRBACR-KZULUSFZSA-N 0 1 390.875 2.086 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)oc1C ZINC000821667841 607122527 /nfs/dbraw/zinc/12/25/27/607122527.db2.gz CHWWYRAMJDYMIB-UHFFFAOYSA-N 0 1 397.800 2.009 20 0 GEADMN CCC1(CC)[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C[C@@H]1OC ZINC000820957022 607159968 /nfs/dbraw/zinc/15/99/68/607159968.db2.gz MKBXERLVXPXOCJ-RYUDHWBXSA-N 0 1 392.485 2.013 20 0 GEADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@H](C)O1 ZINC000820761323 607202461 /nfs/dbraw/zinc/20/24/61/607202461.db2.gz XBMHAKLGKNMFCX-TXEJJXNPSA-N 0 1 393.879 2.141 20 0 GEADMN CN(c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1F)C1CCCCC1 ZINC000821619171 607208977 /nfs/dbraw/zinc/20/89/77/607208977.db2.gz LSWMGBHLAWBNCQ-UHFFFAOYSA-N 0 1 399.434 2.005 20 0 GEADMN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)n[nH]1 ZINC000822199867 607213408 /nfs/dbraw/zinc/21/34/08/607213408.db2.gz KOCSWJVGUXPPHK-ZDUSSCGKSA-N 0 1 382.472 2.449 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)n[nH]1 ZINC000822200038 607213690 /nfs/dbraw/zinc/21/36/90/607213690.db2.gz RQDHABVBURBFCW-LLVKDONJSA-N 0 1 384.444 2.438 20 0 GEADMN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820556971 607219934 /nfs/dbraw/zinc/21/99/34/607219934.db2.gz WWBQZOOXWVYKOR-CQSZACIVSA-N 0 1 388.435 2.345 20 0 GEADMN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821139360 607221060 /nfs/dbraw/zinc/22/10/60/607221060.db2.gz VLHSTEFFTGPONE-HNNXBMFYSA-N 0 1 398.471 2.151 20 0 GEADMN FC(F)(F)c1ccc(-c2nn[nH]n2)cc1N1CCN(C[C@H]2CCCO2)CC1 ZINC000822723464 607227080 /nfs/dbraw/zinc/22/70/80/607227080.db2.gz FVUWWMXEZZOIBP-CYBMUJFWSA-N 0 1 382.390 2.187 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2cc(F)cc3c2OCOC3)c2ccccc12 ZINC000823657764 607237793 /nfs/dbraw/zinc/23/77/93/607237793.db2.gz UJHLVDYIMHONRL-UHFFFAOYSA-N 0 1 379.351 2.236 20 0 GEADMN O=S(=O)(CCN[C@@H]1CCc2cc(F)ccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000826485636 607815924 /nfs/dbraw/zinc/81/59/24/607815924.db2.gz YOIXPUJQCPIZCZ-QGZVFWFLSA-N 0 1 387.440 2.057 20 0 GEADMN CCN1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@H]1C ZINC000825459823 607834779 /nfs/dbraw/zinc/83/47/79/607834779.db2.gz OCECYFZYNAFTPA-SNVBAGLBSA-N 0 1 381.387 2.026 20 0 GEADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824978512 607913531 /nfs/dbraw/zinc/91/35/31/607913531.db2.gz WHOCDPSUKPJRER-OKILXGFUSA-N 0 1 393.451 2.219 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC000826077650 608020543 /nfs/dbraw/zinc/02/05/43/608020543.db2.gz PJFSBBMFHCOXMS-BJMVGYQFSA-N 0 1 380.456 2.174 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC000826077650 608020544 /nfs/dbraw/zinc/02/05/44/608020544.db2.gz PJFSBBMFHCOXMS-BJMVGYQFSA-N 0 1 380.456 2.174 20 0 GEADMN CCc1ccc([C@H](C)C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825705107 608020859 /nfs/dbraw/zinc/02/08/59/608020859.db2.gz WBSWGQUAHAHWGP-LBPRGKRZSA-N 0 1 382.472 2.046 20 0 GEADMN CCc1ccc([C@H](C)C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825705107 608020860 /nfs/dbraw/zinc/02/08/60/608020860.db2.gz WBSWGQUAHAHWGP-LBPRGKRZSA-N 0 1 382.472 2.046 20 0 GEADMN CCCc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)sc1C ZINC000825348654 608021720 /nfs/dbraw/zinc/02/17/20/608021720.db2.gz VCXPPMLMMIYUNU-UHFFFAOYSA-N 0 1 388.501 2.317 20 0 GEADMN CCCc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)sc1C ZINC000825348654 608021721 /nfs/dbraw/zinc/02/17/21/608021721.db2.gz VCXPPMLMMIYUNU-UHFFFAOYSA-N 0 1 388.501 2.317 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCCc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826077158 608021795 /nfs/dbraw/zinc/02/17/95/608021795.db2.gz BRGAYKQLIPMPKT-UHFFFAOYSA-N 0 1 396.499 2.402 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCCc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826077158 608021796 /nfs/dbraw/zinc/02/17/96/608021796.db2.gz BRGAYKQLIPMPKT-UHFFFAOYSA-N 0 1 396.499 2.402 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-c3ccoc3)c2)c1-c1nnn[n-]1 ZINC000826084279 608022529 /nfs/dbraw/zinc/02/25/29/608022529.db2.gz XPPPBDUYDBUUEO-UHFFFAOYSA-N 0 1 392.423 2.254 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-c3ccoc3)c2)c1-c1nn[n-]n1 ZINC000826084279 608022530 /nfs/dbraw/zinc/02/25/30/608022530.db2.gz XPPPBDUYDBUUEO-UHFFFAOYSA-N 0 1 392.423 2.254 20 0 GEADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000825958168 608032037 /nfs/dbraw/zinc/03/20/37/608032037.db2.gz NKHZIOXCMFOSEX-LJQANCHMSA-N 0 1 376.464 2.490 20 0 GEADMN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CN(C)[C@H]1CCSC1 ZINC000824255176 608033210 /nfs/dbraw/zinc/03/32/10/608033210.db2.gz BMHXIDFOPRZCBI-KRWDZBQOSA-N 0 1 388.541 2.289 20 0 GEADMN Cn1c(CCN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)nc2ccccc21 ZINC000826355019 608070820 /nfs/dbraw/zinc/07/08/20/608070820.db2.gz GZIUXAWHLXSTAL-LJQANCHMSA-N 0 1 389.463 2.369 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826229900 608209338 /nfs/dbraw/zinc/20/93/38/608209338.db2.gz WCVAKVQAOKAZOM-JOYOIKCWSA-N 0 1 392.485 2.013 20 0 GEADMN CC(C)(C)OC(=O)N1CCC(CSc2nccnc2-c2nn[nH]n2)CC1 ZINC000824104417 608302765 /nfs/dbraw/zinc/30/27/65/608302765.db2.gz SBSCYJVJFYNNFP-UHFFFAOYSA-N 0 1 377.474 2.396 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826332452 608317627 /nfs/dbraw/zinc/31/76/27/608317627.db2.gz UYNNBYOMSLSWNT-KKSFZXQISA-N 0 1 393.495 2.488 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826332452 608317628 /nfs/dbraw/zinc/31/76/28/608317628.db2.gz UYNNBYOMSLSWNT-KKSFZXQISA-N 0 1 393.495 2.488 20 0 GEADMN CCC1(CO)CC[NH+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1 ZINC000825170703 608319759 /nfs/dbraw/zinc/31/97/59/608319759.db2.gz FXZDKSPCDPEYEG-UHFFFAOYSA-N 0 1 381.484 2.345 20 0 GEADMN CCC1(CO)CC[NH+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825170703 608319760 /nfs/dbraw/zinc/31/97/60/608319760.db2.gz FXZDKSPCDPEYEG-UHFFFAOYSA-N 0 1 381.484 2.345 20 0 GEADMN c1cc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)nc(-c2nnn[n-]2)c1 ZINC000826516781 608416048 /nfs/dbraw/zinc/41/60/48/608416048.db2.gz BARIXGNUNMYJRV-UHFFFAOYSA-N 0 1 379.468 2.391 20 0 GEADMN c1cc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)nc(-c2nn[n-]n2)c1 ZINC000826516781 608416050 /nfs/dbraw/zinc/41/60/50/608416050.db2.gz BARIXGNUNMYJRV-UHFFFAOYSA-N 0 1 379.468 2.391 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)n[nH]1 ZINC000826266514 608424827 /nfs/dbraw/zinc/42/48/27/608424827.db2.gz QVYCZPXASMOTBZ-CYBMUJFWSA-N 0 1 392.467 2.328 20 0 GEADMN O=C(CN[C@@H](CCO)c1ccccc1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826412217 608434098 /nfs/dbraw/zinc/43/40/98/608434098.db2.gz GOPAVVULUXXHPM-INIZCTEOSA-N 0 1 386.843 2.172 20 0 GEADMN O=C(CN[C@H](CCO)c1ccccc1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826412218 608434119 /nfs/dbraw/zinc/43/41/19/608434119.db2.gz GOPAVVULUXXHPM-MRXNPFEDSA-N 0 1 386.843 2.172 20 0 GEADMN CC[C@@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825144357 608456178 /nfs/dbraw/zinc/45/61/78/608456178.db2.gz ZBYZAHXZAPCZKJ-QGZVFWFLSA-N 0 1 380.452 2.232 20 0 GEADMN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210678 608463278 /nfs/dbraw/zinc/46/32/78/608463278.db2.gz AABHGRKSNLVWIU-GFCCVEGCSA-N 0 1 382.424 2.173 20 0 GEADMN C[C@@H](NCC(=O)N(C)CCOc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554295 608466760 /nfs/dbraw/zinc/46/67/60/608466760.db2.gz ODPCHGQCQGZGOG-CQSZACIVSA-N 0 1 398.442 2.194 20 0 GEADMN COc1cc([C@H](C)NCc2cccc(-c3nn[nH]n3)c2F)ccc1OCCO ZINC000826177741 608470815 /nfs/dbraw/zinc/47/08/15/608470815.db2.gz SQUALNAATVRUMW-LBPRGKRZSA-N 0 1 387.415 2.236 20 0 GEADMN O[C@H](c1ccccc1)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826504922 608511508 /nfs/dbraw/zinc/51/15/08/608511508.db2.gz IDSRYSNEWBQWPG-HXUWFJFHSA-N 0 1 389.463 2.460 20 0 GEADMN O[C@@H](c1ccccc1)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826504921 608511633 /nfs/dbraw/zinc/51/16/33/608511633.db2.gz IDSRYSNEWBQWPG-FQEVSTJZSA-N 0 1 389.463 2.460 20 0 GEADMN COc1ccccc1[C@@H](C)NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219169 608532326 /nfs/dbraw/zinc/53/23/26/608532326.db2.gz UWYLXJNWKHZNAZ-CQSZACIVSA-N 0 1 392.463 2.331 20 0 GEADMN CCOc1ccccc1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825654220 608532378 /nfs/dbraw/zinc/53/23/78/608532378.db2.gz SDCDVNNBBSRUKP-UHFFFAOYSA-N 0 1 378.436 2.483 20 0 GEADMN Cc1ncsc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826331579 608548205 /nfs/dbraw/zinc/54/82/05/608548205.db2.gz OWGJRTKUFBGULO-UHFFFAOYSA-N 0 1 398.452 2.202 20 0 GEADMN Cc1cc([C@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000826262409 608553962 /nfs/dbraw/zinc/55/39/62/608553962.db2.gz NWKPNYFDDHPPQK-ZDUSSCGKSA-N 0 1 389.456 2.439 20 0 GEADMN Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC000826299185 608560578 /nfs/dbraw/zinc/56/05/78/608560578.db2.gz UVPRJNCSBRFABB-ZDUSSCGKSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC000826299185 608560581 /nfs/dbraw/zinc/56/05/81/608560581.db2.gz UVPRJNCSBRFABB-ZDUSSCGKSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC000826299185 608560582 /nfs/dbraw/zinc/56/05/82/608560582.db2.gz UVPRJNCSBRFABB-ZDUSSCGKSA-N 0 1 383.481 2.482 20 0 GEADMN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC000826299185 608560584 /nfs/dbraw/zinc/56/05/84/608560584.db2.gz UVPRJNCSBRFABB-ZDUSSCGKSA-N 0 1 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Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000820996502 597491050 /nfs/dbraw/zinc/49/10/50/597491050.db2.gz CUWWIZNTIJJVBJ-ROUUACIJSA-N 0 1 381.432 2.193 20 0 GEADMN O=C([O-])[C@@H]1CC[N@H+]([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000262652894 597529853 /nfs/dbraw/zinc/52/98/53/597529853.db2.gz LPVIYWNKTFJUMC-APWZRJJASA-N 0 1 382.416 2.179 20 0 GEADMN C[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000820115074 597707062 /nfs/dbraw/zinc/70/70/62/597707062.db2.gz SWTMMSWCFPEDNT-HOCLYGCPSA-N 0 1 387.480 2.021 20 0 GEADMN Cn1nccc1[C@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000737627629 599290072 /nfs/dbraw/zinc/29/00/72/599290072.db2.gz LCBOFAZZTTUUQN-HNNXBMFYSA-N 0 1 391.439 2.030 20 0 GEADMN CN(C)C(=O)Nc1ccc(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])c(Cl)c1 ZINC000820530634 598061936 /nfs/dbraw/zinc/06/19/36/598061936.db2.gz XXFZHZWGMFCVSC-GFCCVEGCSA-N 0 1 383.832 2.139 20 0 GEADMN C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819854799 607325142 /nfs/dbraw/zinc/32/51/42/607325142.db2.gz CDKQTVMPZYHKQA-HNNXBMFYSA-N 0 1 376.464 2.272 20 0 GEADMN C[C@@H]1CCC[C@@H](N(C)CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247495 598232797 /nfs/dbraw/zinc/23/27/97/598232797.db2.gz FEXHQWUJHGIVNR-AUJRIZCKSA-N 0 1 397.483 2.102 20 0 GEADMN Cc1ccc([C@H](CNC(=O)COc2ccccc2-c2nn[nH]n2)N2CCCC2)o1 ZINC000737319767 598233954 /nfs/dbraw/zinc/23/39/54/598233954.db2.gz GQURXQUJOZYHGR-INIZCTEOSA-N 0 1 396.451 2.100 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000737546237 598242167 /nfs/dbraw/zinc/24/21/67/598242167.db2.gz BLKKBRVKJJNIRY-UHFFFAOYSA-N 0 1 383.456 2.163 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000737546237 598242168 /nfs/dbraw/zinc/24/21/68/598242168.db2.gz BLKKBRVKJJNIRY-UHFFFAOYSA-N 0 1 383.456 2.163 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000737546237 598242169 /nfs/dbraw/zinc/24/21/69/598242169.db2.gz BLKKBRVKJJNIRY-UHFFFAOYSA-N 0 1 383.456 2.163 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000737546237 598242170 /nfs/dbraw/zinc/24/21/70/598242170.db2.gz BLKKBRVKJJNIRY-UHFFFAOYSA-N 0 1 383.456 2.163 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCc2ccc(F)c(Cl)c2)cc1-c1nn[nH]n1 ZINC000737187284 598288715 /nfs/dbraw/zinc/28/87/15/598288715.db2.gz PNCMNKHBFCURSK-UHFFFAOYSA-N 0 1 394.819 2.412 20 0 GEADMN C[C@@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736120177 598295811 /nfs/dbraw/zinc/29/58/11/598295811.db2.gz XWDWRKPWCVLWDZ-GFCCVEGCSA-N 0 1 389.423 2.212 20 0 GEADMN C[C@@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736120177 598295813 /nfs/dbraw/zinc/29/58/13/598295813.db2.gz XWDWRKPWCVLWDZ-GFCCVEGCSA-N 0 1 389.423 2.212 20 0 GEADMN COC(=O)COc1c(C)cc(CNCc2ccc(-c3nn[nH]n3)cc2F)cc1C ZINC000736931747 598314577 /nfs/dbraw/zinc/31/45/77/598314577.db2.gz URVZIYFSBBVXHM-UHFFFAOYSA-N 0 1 399.426 2.464 20 0 GEADMN COc1ccc([C@@H](CNc2nccnc2-c2nnn[n-]2)[NH+]2CCCCC2)cc1 ZINC000737076848 598337634 /nfs/dbraw/zinc/33/76/34/598337634.db2.gz RTFGRAJKBGVWEE-MRXNPFEDSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccc([C@@H](CNc2nccnc2-c2nn[n-]n2)[NH+]2CCCCC2)cc1 ZINC000737076848 598337636 /nfs/dbraw/zinc/33/76/36/598337636.db2.gz RTFGRAJKBGVWEE-MRXNPFEDSA-N 0 1 380.456 2.304 20 0 GEADMN COc1cccc(Nc2nnc(Sc3nccnc3-c3nn[nH]n3)s2)c1 ZINC000737141683 598337815 /nfs/dbraw/zinc/33/78/15/598337815.db2.gz PRWGHEOTNYGPRX-UHFFFAOYSA-N 0 1 385.438 2.412 20 0 GEADMN COc1ccc(CNc2nnc(Sc3nccnc3-c3nn[nH]n3)s2)cc1 ZINC000737096379 598339768 /nfs/dbraw/zinc/33/97/68/598339768.db2.gz UPBNFIVBGTZBMC-UHFFFAOYSA-N 0 1 399.465 2.280 20 0 GEADMN Cc1ccc(N2CCC[C@@H](N(C)Cc3ccc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC000737353406 598341575 /nfs/dbraw/zinc/34/15/75/598341575.db2.gz WFDMXSCTNVPIFA-MRXNPFEDSA-N 0 1 382.447 2.205 20 0 GEADMN C[C@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CCN1C[C@@H](O)c1ccccc1 ZINC000736291002 598364778 /nfs/dbraw/zinc/36/47/78/598364778.db2.gz TVVZPCDKXVLTLZ-MGPUTAFESA-N 0 1 396.470 2.246 20 0 GEADMN Cc1csc(N2CCN(CCOc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC000737452870 598364988 /nfs/dbraw/zinc/36/49/88/598364988.db2.gz PAVFIXLPEDXBDY-CQSZACIVSA-N 0 1 385.497 2.221 20 0 GEADMN C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)[NH+](C)C ZINC000736025947 598399765 /nfs/dbraw/zinc/39/97/65/598399765.db2.gz JSNNCIRXYIOOJE-LBPRGKRZSA-N 0 1 384.415 2.478 20 0 GEADMN C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)[NH+](C)C ZINC000736025947 598399766 /nfs/dbraw/zinc/39/97/66/598399766.db2.gz JSNNCIRXYIOOJE-LBPRGKRZSA-N 0 1 384.415 2.478 20 0 GEADMN COc1ccc([C@@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1F ZINC000737073798 598453764 /nfs/dbraw/zinc/45/37/64/598453764.db2.gz TVFYEWYBMQZPOI-SECBINFHSA-N 0 1 376.417 2.365 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737548654 598467408 /nfs/dbraw/zinc/46/74/08/598467408.db2.gz PXDSCZSWSNVIGK-HNNXBMFYSA-N 0 1 395.467 2.259 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737548654 598467409 /nfs/dbraw/zinc/46/74/09/598467409.db2.gz PXDSCZSWSNVIGK-HNNXBMFYSA-N 0 1 395.467 2.259 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1-c1nnn[n-]1 ZINC000737188522 598497670 /nfs/dbraw/zinc/49/76/70/598497670.db2.gz AKNYUZQSTUSRGD-CYBMUJFWSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1-c1nnn[n-]1 ZINC000737188522 598497672 /nfs/dbraw/zinc/49/76/72/598497672.db2.gz AKNYUZQSTUSRGD-CYBMUJFWSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1-c1nn[n-]n1 ZINC000737188522 598497673 /nfs/dbraw/zinc/49/76/73/598497673.db2.gz AKNYUZQSTUSRGD-CYBMUJFWSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1-c1nn[n-]n1 ZINC000737188522 598497676 /nfs/dbraw/zinc/49/76/76/598497676.db2.gz AKNYUZQSTUSRGD-CYBMUJFWSA-N 0 1 399.524 2.075 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCc3ccc(F)cc3C2)cc1-c1nn[nH]n1 ZINC000821971156 607360012 /nfs/dbraw/zinc/36/00/12/607360012.db2.gz YAHPNRCKXBQGMD-UHFFFAOYSA-N 0 1 386.412 2.027 20 0 GEADMN O[C@@H](CNCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C(F)(F)F ZINC000738382641 598562416 /nfs/dbraw/zinc/56/24/16/598562416.db2.gz MRZMYQXYYSPJKG-INIZCTEOSA-N 0 1 393.369 2.459 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1-c1nn[n-]n1 ZINC000737190434 598566916 /nfs/dbraw/zinc/56/69/16/598566916.db2.gz ZESUJMGZMXELIZ-LBPRGKRZSA-N 0 1 387.513 2.027 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CCCN3C)cc1-c1nn[nH]n1 ZINC000737186903 598613920 /nfs/dbraw/zinc/61/39/20/598613920.db2.gz LNJPUMXTZPEHAF-UHFFFAOYSA-N 0 1 397.464 2.324 20 0 GEADMN CC(C)(C)CN(CCCO)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735605225 598616406 /nfs/dbraw/zinc/61/64/06/598616406.db2.gz SIQZYZLIPCMUGC-UHFFFAOYSA-N 0 1 380.880 2.189 20 0 GEADMN CCN([C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736510930 598621704 /nfs/dbraw/zinc/62/17/04/598621704.db2.gz ABEMIOTWSCQIIN-FZMZJTMJSA-N 0 1 382.390 2.413 20 0 GEADMN CCN(CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736541467 598621770 /nfs/dbraw/zinc/62/17/70/598621770.db2.gz HIYHXECMRUMUFR-IBGZPJMESA-N 0 1 392.463 2.373 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 ZINC000737982877 598721907 /nfs/dbraw/zinc/72/19/07/598721907.db2.gz TUVCGKKZDKMHHN-UHFFFAOYSA-N 0 1 386.415 2.309 20 0 GEADMN O=C(c1cccc2c[nH]nc21)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738277343 598755203 /nfs/dbraw/zinc/75/52/03/598755203.db2.gz BWTWSUVEKMLSGC-UHFFFAOYSA-N 0 1 389.419 2.427 20 0 GEADMN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736250869 598766651 /nfs/dbraw/zinc/76/66/51/598766651.db2.gz NLOULJPIFZZDOA-HOTGVXAUSA-N 0 1 398.511 2.499 20 0 GEADMN C[C@H](Nc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)[C@H](C)N1CCOCC1 ZINC000736136685 598771800 /nfs/dbraw/zinc/77/18/00/598771800.db2.gz GOFKENBRCLUTBQ-QWRGUYRKSA-N 0 1 389.410 2.214 20 0 GEADMN COC[C@@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978783 598820638 /nfs/dbraw/zinc/82/06/38/598820638.db2.gz RPRWRPXLBJAXNL-NWDGAFQWSA-N 0 1 390.513 2.102 20 0 GEADMN C[C@@H]1CC[C@H](CCC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820684087 599311088 /nfs/dbraw/zinc/31/10/88/599311088.db2.gz LWVPQBPBUJWLLM-VQIMIIECSA-N 0 1 398.511 2.249 20 0 GEADMN C[C@@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736158928 599367403 /nfs/dbraw/zinc/36/74/03/599367403.db2.gz KHJVOUNIXKTKLL-MRVPVSSYSA-N 0 1 389.318 2.035 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H](c2ccccn2)C(C)C)cc1-c1nn[nH]n1 ZINC000821970391 599376610 /nfs/dbraw/zinc/37/66/10/599376610.db2.gz NDFBMJVNXZZFJY-ZDUSSCGKSA-N 0 1 385.453 2.211 20 0 GEADMN C[C@@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820275427 599386118 /nfs/dbraw/zinc/38/61/18/599386118.db2.gz QTEQTSKBGNWXPV-MEDUHNTESA-N 0 1 386.843 2.104 20 0 GEADMN COc1ccc2c(c1)OCC[C@H]2NCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821854834 599449806 /nfs/dbraw/zinc/44/98/06/599449806.db2.gz XHABDOGCGBBWRD-MRXNPFEDSA-N 0 1 377.408 2.136 20 0 GEADMN COc1cc(OC)c(CNCCOc2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821723721 599450831 /nfs/dbraw/zinc/45/08/31/599450831.db2.gz IJTWIEWJDSZUQZ-UHFFFAOYSA-N 0 1 385.424 2.061 20 0 GEADMN C[NH+](C)CC1CCN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)CC1 ZINC000736759436 599530487 /nfs/dbraw/zinc/53/04/87/599530487.db2.gz RCXGJEJNQVCMFH-UHFFFAOYSA-N 0 1 379.472 2.178 20 0 GEADMN C[NH+](C)CC1CCN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)CC1 ZINC000736759436 599530489 /nfs/dbraw/zinc/53/04/89/599530489.db2.gz RCXGJEJNQVCMFH-UHFFFAOYSA-N 0 1 379.472 2.178 20 0 GEADMN CCOCCN1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000821378205 599533673 /nfs/dbraw/zinc/53/36/73/599533673.db2.gz LITAXZSGNFUYNY-UHFFFAOYSA-N 0 1 385.447 2.021 20 0 GEADMN CCOCCN1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000821378634 599534314 /nfs/dbraw/zinc/53/43/14/599534314.db2.gz QPTNKDCFVDOEQQ-LBPRGKRZSA-N 0 1 384.406 2.433 20 0 GEADMN O[C@@H](C[NH+]1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC000823673291 599536136 /nfs/dbraw/zinc/53/61/36/599536136.db2.gz KDQMOYBUJKRTOJ-SFHVURJKSA-N 0 1 379.468 2.119 20 0 GEADMN O[C@@H](C[NH+]1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC000823673291 599536139 /nfs/dbraw/zinc/53/61/39/599536139.db2.gz KDQMOYBUJKRTOJ-SFHVURJKSA-N 0 1 379.468 2.119 20 0 GEADMN CC(C)[C@@H]1CN(C)CCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735749501 599539517 /nfs/dbraw/zinc/53/95/17/599539517.db2.gz MZJHKIATZAMCJG-AWEZNQCLSA-N 0 1 379.921 2.489 20 0 GEADMN CC[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736403940 599581009 /nfs/dbraw/zinc/58/10/09/599581009.db2.gz ZQCKOCKIKJTTJB-HNNXBMFYSA-N 0 1 397.483 2.101 20 0 GEADMN CC[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736403807 599581180 /nfs/dbraw/zinc/58/11/80/599581180.db2.gz XGXWGSGEJLWBON-VLIAUNLRSA-N 0 1 397.483 2.103 20 0 GEADMN COC(=O)[C@@H](NCc1nc2ccc(C)cc2[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000821644619 599664750 /nfs/dbraw/zinc/66/47/50/599664750.db2.gz DWVXTDSRLCQROA-KRWDZBQOSA-N 0 1 377.408 2.055 20 0 GEADMN CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820971787 599690896 /nfs/dbraw/zinc/69/08/96/599690896.db2.gz GBRCQXCADOPSHA-KBPBESRZSA-N 0 1 380.456 2.111 20 0 GEADMN CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820971787 599690897 /nfs/dbraw/zinc/69/08/97/599690897.db2.gz GBRCQXCADOPSHA-KBPBESRZSA-N 0 1 380.456 2.111 20 0 GEADMN C[C@@H](C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000736218711 599740262 /nfs/dbraw/zinc/74/02/62/599740262.db2.gz AFXMDBHZAORVIG-ZDUSSCGKSA-N 0 1 388.493 2.012 20 0 GEADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000737105970 599755114 /nfs/dbraw/zinc/75/51/14/599755114.db2.gz IUOUFDAUVBDOST-INIZCTEOSA-N 0 1 376.453 2.136 20 0 GEADMN Cc1cccc(C[NH+]2CCN(C(=O)CN[C@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738708972 599783062 /nfs/dbraw/zinc/78/30/62/599783062.db2.gz OHTFBBHYGIBBDP-NRFANRHFSA-N 0 1 381.476 2.055 20 0 GEADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C(=O)[O-])c1C ZINC000738399188 599785399 /nfs/dbraw/zinc/78/53/99/599785399.db2.gz OTPPXMKJOCTSML-CQSZACIVSA-N 0 1 395.525 2.486 20 0 GEADMN Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C(=O)[O-])c1C ZINC000738399188 599785400 /nfs/dbraw/zinc/78/54/00/599785400.db2.gz OTPPXMKJOCTSML-CQSZACIVSA-N 0 1 395.525 2.486 20 0 GEADMN Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000738773240 599788406 /nfs/dbraw/zinc/78/84/06/599788406.db2.gz QZEQSIVWJHFPHE-UHFFFAOYSA-N 0 1 396.443 2.194 20 0 GEADMN O=C([O-])[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000739592583 599796114 /nfs/dbraw/zinc/79/61/14/599796114.db2.gz CYNBNFINWKNWIM-MRXNPFEDSA-N 0 1 398.463 2.422 20 0 GEADMN C[C@H](C[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1)C(=O)[O-] ZINC000736579574 599803658 /nfs/dbraw/zinc/80/36/58/599803658.db2.gz SWCJGIVGFLPZHN-OAHLLOKOSA-N 0 1 376.478 2.099 20 0 GEADMN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736740428 599839861 /nfs/dbraw/zinc/83/98/61/599839861.db2.gz BDWMUHQAUPIKRK-LAUBAEHRSA-N 0 1 385.464 2.229 20 0 GEADMN C[C@H](C(=O)NCC(=O)[O-])[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000736206744 599851641 /nfs/dbraw/zinc/85/16/41/599851641.db2.gz DRXROHRVXRTGNN-YPMHNXCESA-N 0 1 392.843 2.159 20 0 GEADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000736879856 599867268 /nfs/dbraw/zinc/86/72/68/599867268.db2.gz RSOSOZCRIBEJJX-FASAQXTFSA-N 0 1 380.460 2.187 20 0 GEADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000184878175 599929572 /nfs/dbraw/zinc/92/95/72/599929572.db2.gz MSJQJINXJBPJDG-INIZCTEOSA-N 0 1 380.441 2.414 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1C(=O)[O-] ZINC000738229599 599956454 /nfs/dbraw/zinc/95/64/54/599956454.db2.gz LKCXEJURGOTKHQ-CABCVRRESA-N 0 1 385.468 2.292 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1C(=O)[O-] ZINC000738229599 599956456 /nfs/dbraw/zinc/95/64/56/599956456.db2.gz LKCXEJURGOTKHQ-CABCVRRESA-N 0 1 385.468 2.292 20 0 GEADMN C[N@@H+](CCO)C1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000737448540 599966022 /nfs/dbraw/zinc/96/60/22/599966022.db2.gz CJFHLOUGBIHQFL-UHFFFAOYSA-N 0 1 375.494 2.397 20 0 GEADMN O=C([O-])c1cc(F)ccc1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000740080117 599973240 /nfs/dbraw/zinc/97/32/40/599973240.db2.gz WOQXNFIJTQPVRV-GOSISDBHSA-N 0 1 388.439 2.081 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)C2)nc(C)[nH+]1 ZINC000738405909 599978843 /nfs/dbraw/zinc/97/88/43/599978843.db2.gz BNSIWASHNFPPRO-SFHVURJKSA-N 0 1 395.463 2.486 20 0 GEADMN Cc1cc(N2CCC[C@@H](NC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)C2)nc(C)[nH+]1 ZINC000738405906 599979043 /nfs/dbraw/zinc/97/90/43/599979043.db2.gz BNSIWASHNFPPRO-GOSISDBHSA-N 0 1 395.463 2.486 20 0 GEADMN Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)no1 ZINC000738852488 599980403 /nfs/dbraw/zinc/98/04/03/599980403.db2.gz XEFGFSOLRGIVKZ-CJNGLKHVSA-N 0 1 386.452 2.036 20 0 GEADMN Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)no1 ZINC000738852488 599980406 /nfs/dbraw/zinc/98/04/06/599980406.db2.gz XEFGFSOLRGIVKZ-CJNGLKHVSA-N 0 1 386.452 2.036 20 0 GEADMN Cc1cccc(CN2CCN(C(=O)C[N@@H+](C)Cc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738707848 599980660 /nfs/dbraw/zinc/98/06/60/599980660.db2.gz GTTBCPUQEKEEEH-UHFFFAOYSA-N 0 1 395.503 2.469 20 0 GEADMN Cc1cccc(CN2CCN(C(=O)C[N@H+](C)Cc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738707848 599980664 /nfs/dbraw/zinc/98/06/64/599980664.db2.gz GTTBCPUQEKEEEH-UHFFFAOYSA-N 0 1 395.503 2.469 20 0 GEADMN O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000738689361 599985961 /nfs/dbraw/zinc/98/59/61/599985961.db2.gz SWRHLXLPUKUKNZ-QGZVFWFLSA-N 0 1 388.489 2.228 20 0 GEADMN 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HLVFZTRUSXRWLC-FQEVSTJZSA-N 0 1 382.460 2.195 20 0 GEADMN O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)CC1 ZINC000739803271 600075835 /nfs/dbraw/zinc/07/58/35/600075835.db2.gz DQDFXPJUUZABBI-UHFFFAOYSA-N 0 1 379.420 2.022 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)c1C(=O)[O-] ZINC000738234629 600086148 /nfs/dbraw/zinc/08/61/48/600086148.db2.gz FJZKFOXAOFCGOA-UONOGXRCSA-N 0 1 385.468 2.318 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)c1C(=O)[O-] ZINC000738234629 600086150 /nfs/dbraw/zinc/08/61/50/600086150.db2.gz FJZKFOXAOFCGOA-UONOGXRCSA-N 0 1 385.468 2.318 20 0 GEADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000736214006 600093633 /nfs/dbraw/zinc/09/36/33/600093633.db2.gz HXOYXZQJUNGQOI-NVXWUHKLSA-N 0 1 382.464 2.219 20 0 GEADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000736214007 600094044 /nfs/dbraw/zinc/09/40/44/600094044.db2.gz HXOYXZQJUNGQOI-RDJZCZTQSA-N 0 1 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GEADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821637863 607014243 /nfs/dbraw/zinc/01/42/43/607014243.db2.gz WUCIEIGCDLNIJL-OLZOCXBDSA-N 0 1 386.481 2.187 20 0 GEADMN C[C@H]1CC[C@@H](CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000820684587 607025372 /nfs/dbraw/zinc/02/53/72/607025372.db2.gz RNFDCJPQEALIPT-QWHCGFSZSA-N 0 1 385.472 2.207 20 0 GEADMN Clc1cccc(N2CCN(CCNc3ccc(-c4nn[nH]n4)nc3)CC2)c1 ZINC000822585513 607039070 /nfs/dbraw/zinc/03/90/70/607039070.db2.gz BMSNTSXUAXMRBK-UHFFFAOYSA-N 0 1 384.875 2.149 20 0 GEADMN Cc1nc(CN2CCCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)oc1C ZINC000822439635 607064926 /nfs/dbraw/zinc/06/49/26/607064926.db2.gz CNRAUCSFLACGSZ-UHFFFAOYSA-N 0 1 385.447 2.319 20 0 GEADMN O[C@@]12CCCC[C@H]1CN(Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000823698730 607075208 /nfs/dbraw/zinc/07/52/08/607075208.db2.gz QUQZIDBYPMTHAD-HNAYVOBHSA-N 0 1 381.440 2.044 20 0 GEADMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997074 607107514 /nfs/dbraw/zinc/10/75/14/607107514.db2.gz MTXIIPODXRBACR-KPZWWZAWSA-N 0 1 390.875 2.086 20 0 GEADMN Cc1c2ccccc2oc1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(C)C ZINC000822020318 607216781 /nfs/dbraw/zinc/21/67/81/607216781.db2.gz AFKSAJZCZWUDFI-HNNXBMFYSA-N 0 1 380.412 2.026 20 0 GEADMN C[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)N1CCc2ccccc2C1 ZINC000820269107 607233530 /nfs/dbraw/zinc/23/35/30/607233530.db2.gz HGWIHWBWUREBLD-GFCCVEGCSA-N 0 1 397.870 2.092 20 0 GEADMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820804589 607238110 /nfs/dbraw/zinc/23/81/10/607238110.db2.gz VMRXCUIGSRKYJK-HOCLYGCPSA-N 0 1 384.484 2.109 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000826340748 607773933 /nfs/dbraw/zinc/77/39/33/607773933.db2.gz JMEMZTGMRRHKCY-OAHLLOKOSA-N 0 1 397.483 2.409 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000826340748 607773934 /nfs/dbraw/zinc/77/39/34/607773934.db2.gz JMEMZTGMRRHKCY-OAHLLOKOSA-N 0 1 397.483 2.409 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000826340748 607773935 /nfs/dbraw/zinc/77/39/35/607773935.db2.gz JMEMZTGMRRHKCY-OAHLLOKOSA-N 0 1 397.483 2.409 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000826340748 607773936 /nfs/dbraw/zinc/77/39/36/607773936.db2.gz JMEMZTGMRRHKCY-OAHLLOKOSA-N 0 1 397.483 2.409 20 0 GEADMN Clc1ccc(OCCN2CCN(c3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826352751 607839149 /nfs/dbraw/zinc/83/91/49/607839149.db2.gz MUKOXIARKRDBML-UHFFFAOYSA-N 0 1 385.859 2.116 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000825933889 608037200 /nfs/dbraw/zinc/03/72/00/608037200.db2.gz IKBSOZYVYIIXPX-UHFFFAOYSA-N 0 1 397.418 2.031 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000825933889 608037201 /nfs/dbraw/zinc/03/72/01/608037201.db2.gz IKBSOZYVYIIXPX-UHFFFAOYSA-N 0 1 397.418 2.031 20 0 GEADMN C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1Br)CN1CCOCC1 ZINC000824429426 608050026 /nfs/dbraw/zinc/05/00/26/608050026.db2.gz WKPGQUGUUNHBCY-NSHDSACASA-N 0 1 381.278 2.009 20 0 GEADMN O=C(c1ccc(O)c(Cl)c1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826473459 608084164 /nfs/dbraw/zinc/08/41/64/608084164.db2.gz YYERZMLFIRRFRN-MRXNPFEDSA-N 0 1 385.811 2.439 20 0 GEADMN CCCCNc1ccccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825291348 608113840 /nfs/dbraw/zinc/11/38/40/608113840.db2.gz PTTCEAKWGJFIRP-UHFFFAOYSA-N 0 1 397.487 2.206 20 0 GEADMN CCCCNc1ccccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825291348 608113841 /nfs/dbraw/zinc/11/38/41/608113841.db2.gz PTTCEAKWGJFIRP-UHFFFAOYSA-N 0 1 397.487 2.206 20 0 GEADMN O=C(N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C12CCC(CC1)C2 ZINC000826425719 608145258 /nfs/dbraw/zinc/14/52/58/608145258.db2.gz PYGRFYPTGXYRFX-UHFFFAOYSA-N 0 1 380.496 2.481 20 0 GEADMN c1cc2nc(N[C@H]3CCCC[C@@H]3N3CCOCC3)ccc2cc1-c1nn[nH]n1 ZINC000826518415 608233974 /nfs/dbraw/zinc/23/39/74/608233974.db2.gz MWLACLJYUZNDNP-ROUUACIJSA-N 0 1 379.468 2.470 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000824739150 608248307 /nfs/dbraw/zinc/24/83/07/608248307.db2.gz VSCBNFWPXVXIFV-ZBFHGGJFSA-N 0 1 397.435 2.435 20 0 GEADMN COc1cccc(-c2nc(C)c(C(=O)OCc3ccnc(-c4nn[nH]n4)c3)[nH]2)c1 ZINC000826213650 608256165 /nfs/dbraw/zinc/25/61/65/608256165.db2.gz FWSJRWZHNBWEHZ-UHFFFAOYSA-N 0 1 391.391 2.326 20 0 GEADMN COc1ccc(CN2CCN(C(C)=O)C3(CCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826195397 608256305 /nfs/dbraw/zinc/25/63/05/608256305.db2.gz RSQQIAUVCDEUHH-UHFFFAOYSA-N 0 1 384.484 2.242 20 0 GEADMN COc1cccc([C@@H](C)N2CCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826214467 608283275 /nfs/dbraw/zinc/28/32/75/608283275.db2.gz MQEWIYCWHUCHRH-OAHLLOKOSA-N 0 1 379.468 2.462 20 0 GEADMN O=S(=O)(Nc1ccc(F)cc1OCC(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492914 608296260 /nfs/dbraw/zinc/29/62/60/608296260.db2.gz KVOKKYGQQCMLSE-UHFFFAOYSA-N 0 1 399.354 2.451 20 0 GEADMN CCN1C[C@H](C)N(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C[C@H]1C ZINC000825444272 608314972 /nfs/dbraw/zinc/31/49/72/608314972.db2.gz LDSALYWDWGUANI-VKJFTORMSA-N 0 1 386.500 2.211 20 0 GEADMN CC1(C)c2ccccc2CCN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824818730 608331268 /nfs/dbraw/zinc/33/12/68/608331268.db2.gz VONHRSOLZFQYKC-UHFFFAOYSA-N 0 1 376.464 2.276 20 0 GEADMN COc1ccc(C)cc1[C@@H](C)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826190202 608429485 /nfs/dbraw/zinc/42/94/85/608429485.db2.gz TVAZMDCSHOXKFC-CQSZACIVSA-N 0 1 380.452 2.151 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)CC[C@H]32)cc1 ZINC000826521381 608433926 /nfs/dbraw/zinc/43/39/26/608433926.db2.gz KDDHNZACEFTSEL-FUHWJXTLSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)CC[C@H]32)cc1 ZINC000826521381 608433928 /nfs/dbraw/zinc/43/39/28/608433928.db2.gz KDDHNZACEFTSEL-FUHWJXTLSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)CC[C@H]32)cc1 ZINC000826521381 608433929 /nfs/dbraw/zinc/43/39/29/608433929.db2.gz KDDHNZACEFTSEL-FUHWJXTLSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)CC[C@H]32)cc1 ZINC000826521381 608433930 /nfs/dbraw/zinc/43/39/30/608433930.db2.gz KDDHNZACEFTSEL-FUHWJXTLSA-N 0 1 376.468 2.148 20 0 GEADMN CC(C)Cc1nnc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000824280089 608463729 /nfs/dbraw/zinc/46/37/29/608463729.db2.gz CLNFARWHBSLRLH-LLVKDONJSA-N 0 1 386.485 2.206 20 0 GEADMN C[C@H](NCC(=O)Nc1cccc2nsnc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824563346 608489755 /nfs/dbraw/zinc/48/97/55/608489755.db2.gz NBYSCBRETBVZDK-JTQLQIEISA-N 0 1 380.437 2.161 20 0 GEADMN CCOC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825565566 608491325 /nfs/dbraw/zinc/49/13/25/608491325.db2.gz VRMVKXRDLGBAPE-ZDUSSCGKSA-N 0 1 394.435 2.333 20 0 GEADMN COCCOc1ccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826162420 608514488 /nfs/dbraw/zinc/51/44/88/608514488.db2.gz BFVXPCVRGSGAEG-UHFFFAOYSA-N 0 1 394.479 2.214 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000826412701 608533193 /nfs/dbraw/zinc/53/31/93/608533193.db2.gz ZSBZSIZYQVEFHF-CQSZACIVSA-N 0 1 394.401 2.246 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCc2sccc2C1 ZINC000826412174 608534276 /nfs/dbraw/zinc/53/42/76/608534276.db2.gz FCTQQQLGUNTJRG-UHFFFAOYSA-N 0 1 380.477 2.092 20 0 GEADMN Cc1oc(NC(=O)CN[C@H](c2cnn(C)c2)C(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000826341905 608553997 /nfs/dbraw/zinc/55/39/97/608553997.db2.gz SQIYQLIWFJFGHF-OAHLLOKOSA-N 0 1 386.460 2.126 20 0 GEADMN C[C@@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F ZINC000824572861 608558953 /nfs/dbraw/zinc/55/89/53/608558953.db2.gz XODFRHCWMURWIK-YPMHNXCESA-N 0 1 375.379 2.235 20 0 GEADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccc([S@@](C)=O)cc1 ZINC000824529794 608579161 /nfs/dbraw/zinc/57/91/61/608579161.db2.gz HKWKNZAUBTVEFY-UFEGIJMPSA-N 0 1 398.492 2.282 20 0 GEADMN Fc1cc(F)cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC000826372945 608590116 /nfs/dbraw/zinc/59/01/16/608590116.db2.gz SUOKINFZLCSZIJ-UHFFFAOYSA-N 0 1 387.394 2.333 20 0 GEADMN Clc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000826352333 608590265 /nfs/dbraw/zinc/59/02/65/608590265.db2.gz XDXVXIDAXAFEQV-UHFFFAOYSA-N 0 1 375.820 2.301 20 0 GEADMN COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826220686 608594988 /nfs/dbraw/zinc/59/49/88/608594988.db2.gz WHBIMERQHIMOMN-UHFFFAOYSA-N 0 1 382.424 2.319 20 0 GEADMN CCCN(CC(=O)NC)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825308270 608619938 /nfs/dbraw/zinc/61/99/38/608619938.db2.gz YVAVDWUPMLCSRQ-UHFFFAOYSA-N 0 1 394.479 2.404 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826231762 608637680 /nfs/dbraw/zinc/63/76/80/608637680.db2.gz YOMNNHWUECANEE-GHMZBOCLSA-N 0 1 387.513 2.026 20 0 GEADMN O=C(NC1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1)c1ccsc1 ZINC000826431852 608648896 /nfs/dbraw/zinc/64/88/96/608648896.db2.gz LXSSFFQUDVDRET-UHFFFAOYSA-N 0 1 386.456 2.462 20 0 GEADMN Cc1oc2ccccc2c1C[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826342675 608840627 /nfs/dbraw/zinc/84/06/27/608840627.db2.gz VNWRJHMZRXLWOW-ZDUSSCGKSA-N 0 1 390.451 2.422 20 0 GEADMN Cc1oc2ccccc2c1C[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826342675 608840628 /nfs/dbraw/zinc/84/06/28/608840628.db2.gz VNWRJHMZRXLWOW-ZDUSSCGKSA-N 0 1 390.451 2.422 20 0 GEADMN Cc1oc2ccccc2c1C[N@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826342675 608840629 /nfs/dbraw/zinc/84/06/29/608840629.db2.gz VNWRJHMZRXLWOW-ZDUSSCGKSA-N 0 1 390.451 2.422 20 0 GEADMN Cc1oc2ccccc2c1C[N@@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826342675 608840630 /nfs/dbraw/zinc/84/06/30/608840630.db2.gz VNWRJHMZRXLWOW-ZDUSSCGKSA-N 0 1 390.451 2.422 20 0 GEADMN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824098850 608842339 /nfs/dbraw/zinc/84/23/39/608842339.db2.gz BIRIEXYNEQFOBY-AWEZNQCLSA-N 0 1 397.483 2.458 20 0 GEADMN C[C@H]1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC12CCC2 ZINC000824953282 608872811 /nfs/dbraw/zinc/87/28/11/608872811.db2.gz DEVXVXWSBRGFMR-BBRMVZONSA-N 0 1 380.452 2.011 20 0 GEADMN O=C(c1n[nH]c2ccc(I)cc21)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000446365885 649979170 /nfs/dbraw/zinc/97/91/70/649979170.db2.gz CYMSPRLTBSJKJY-PHIMTYICSA-N 0 1 396.232 2.134 20 0 GEADMN CC[C@@H](C)[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000825049507 609144753 /nfs/dbraw/zinc/14/47/53/609144753.db2.gz BUDBQKSALPADIE-OLZOCXBDSA-N 0 1 399.455 2.446 20 0 GEADMN Cc1ncc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826329552 609169678 /nfs/dbraw/zinc/16/96/78/609169678.db2.gz IBAJPJLMAGVXNU-XHDPSFHLSA-N 0 1 383.481 2.478 20 0 GEADMN C[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000824470194 609228116 /nfs/dbraw/zinc/22/81/16/609228116.db2.gz GBBIZQZBECYWIW-PSLIRLAXSA-N 0 1 397.826 2.307 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc1-c1nn[nH]n1 ZINC000826229439 609267704 /nfs/dbraw/zinc/26/77/04/609267704.db2.gz 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O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370594910 532944443 /nfs/dbraw/zinc/94/44/43/532944443.db2.gz RJLQMINHXSNWEI-SECBINFHSA-N 0 1 396.220 2.051 20 0 GEADMN O=C(Cc1ccccc1I)N[C@H]1CCc2nc[nH]c2C1 ZINC000371362823 532947620 /nfs/dbraw/zinc/94/76/20/532947620.db2.gz XYNIELJPCVZLBT-NSHDSACASA-N 0 1 381.217 2.231 20 0 GEADMN O=C(C=Cc1ccc(I)o1)N[C@H]1CCc2nc[nH]c2C1 ZINC000371450172 532948126 /nfs/dbraw/zinc/94/81/26/532948126.db2.gz YOAGRDCUOCJBGR-SWTNXBIASA-N 0 1 383.189 2.294 20 0 GEADMN COc1cc(Br)c(CN[C@@H]2CCN(c3ccn(C)n3)C2)cc1O ZINC000371497399 532948344 /nfs/dbraw/zinc/94/83/44/532948344.db2.gz OZMSTFPKNSLQHF-GFCCVEGCSA-N 0 1 381.274 2.265 20 0 GEADMN CCOc1ccc2nc(SCC(=O)N(CC)CC(=O)NC(C)C)[nH]c2c1 ZINC000009966913 221095694 /nfs/dbraw/zinc/09/56/94/221095694.db2.gz YOYQNKYSBOXXEU-UHFFFAOYSA-N 0 1 378.498 2.427 20 0 GEADMN O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2cncn2c1 ZINC000077929308 222290571 /nfs/dbraw/zinc/29/05/71/222290571.db2.gz WGIYOVHAAUGXQJ-UHFFFAOYSA-N 0 1 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598945523 /nfs/dbraw/zinc/94/55/23/598945523.db2.gz IEFZQWXMLCUIEW-UHFFFAOYSA-N 0 1 380.456 2.113 20 0 GEADMN CCC[N@H+](CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC1CC1 ZINC000736469187 598945526 /nfs/dbraw/zinc/94/55/26/598945526.db2.gz IEFZQWXMLCUIEW-UHFFFAOYSA-N 0 1 380.456 2.113 20 0 GEADMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736603455 598946578 /nfs/dbraw/zinc/94/65/78/598946578.db2.gz WOZXJYHJVFKQLC-UHFFFAOYSA-N 0 1 387.421 2.153 20 0 GEADMN C[NH+](C)CCOc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736769414 598960332 /nfs/dbraw/zinc/96/03/32/598960332.db2.gz RYCNJQGNMFEDBQ-UHFFFAOYSA-N 0 1 390.451 2.362 20 0 GEADMN C[NH+](C)CCOc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736769414 598960334 /nfs/dbraw/zinc/96/03/34/598960334.db2.gz RYCNJQGNMFEDBQ-UHFFFAOYSA-N 0 1 390.451 2.362 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCN(c2cccc(C)c2)CC1 ZINC000737033378 598981230 /nfs/dbraw/zinc/98/12/30/598981230.db2.gz UUAOVTJDGCCPPU-UHFFFAOYSA-N 0 1 394.479 2.385 20 0 GEADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738024771 599006405 /nfs/dbraw/zinc/00/64/05/599006405.db2.gz YTXQPBOGXCSLNX-AYHJJNSGSA-N 0 1 389.463 2.187 20 0 GEADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738024771 599006408 /nfs/dbraw/zinc/00/64/08/599006408.db2.gz YTXQPBOGXCSLNX-AYHJJNSGSA-N 0 1 389.463 2.187 20 0 GEADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738024771 599006410 /nfs/dbraw/zinc/00/64/10/599006410.db2.gz YTXQPBOGXCSLNX-AYHJJNSGSA-N 0 1 389.463 2.187 20 0 GEADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738024771 599006412 /nfs/dbraw/zinc/00/64/12/599006412.db2.gz YTXQPBOGXCSLNX-AYHJJNSGSA-N 0 1 389.463 2.187 20 0 GEADMN CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC000736277110 599021038 /nfs/dbraw/zinc/02/10/38/599021038.db2.gz SXDSKPMXVBZFIJ-UHFFFAOYSA-N 0 1 391.479 2.424 20 0 GEADMN CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)CC1 ZINC000736277110 599021039 /nfs/dbraw/zinc/02/10/39/599021039.db2.gz SXDSKPMXVBZFIJ-UHFFFAOYSA-N 0 1 391.479 2.424 20 0 GEADMN CC1CC[NH+]([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2)CC1 ZINC000736276448 599023244 /nfs/dbraw/zinc/02/32/44/599023244.db2.gz HWXLRKYXFWWFJQ-IBGZPJMESA-N 0 1 391.479 2.465 20 0 GEADMN CC1CC[NH+]([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2)CC1 ZINC000736276448 599023246 /nfs/dbraw/zinc/02/32/46/599023246.db2.gz HWXLRKYXFWWFJQ-IBGZPJMESA-N 0 1 391.479 2.465 20 0 GEADMN C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736827715 599028186 /nfs/dbraw/zinc/02/81/86/599028186.db2.gz HDKJDTJAWLDQGG-UHFFFAOYSA-N 0 1 391.479 2.246 20 0 GEADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736827715 599028187 /nfs/dbraw/zinc/02/81/87/599028187.db2.gz HDKJDTJAWLDQGG-UHFFFAOYSA-N 0 1 391.479 2.246 20 0 GEADMN C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736827715 599028189 /nfs/dbraw/zinc/02/81/89/599028189.db2.gz HDKJDTJAWLDQGG-UHFFFAOYSA-N 0 1 391.479 2.246 20 0 GEADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736827715 599028191 /nfs/dbraw/zinc/02/81/91/599028191.db2.gz HDKJDTJAWLDQGG-UHFFFAOYSA-N 0 1 391.479 2.246 20 0 GEADMN COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)CC[N@@H+]2C)cc1 ZINC000737075040 599028318 /nfs/dbraw/zinc/02/83/18/599028318.db2.gz IRNCZTQYNJISNY-CRAIPNDOSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)CC[N@H+]2C)cc1 ZINC000737075040 599028320 /nfs/dbraw/zinc/02/83/20/599028320.db2.gz IRNCZTQYNJISNY-CRAIPNDOSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)CC[N@@H+]2C)cc1 ZINC000737075040 599028322 /nfs/dbraw/zinc/02/83/22/599028322.db2.gz IRNCZTQYNJISNY-CRAIPNDOSA-N 0 1 394.435 2.120 20 0 GEADMN COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)CC[N@H+]2C)cc1 ZINC000737075040 599028324 /nfs/dbraw/zinc/02/83/24/599028324.db2.gz IRNCZTQYNJISNY-CRAIPNDOSA-N 0 1 394.435 2.120 20 0 GEADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000737739226 599071089 /nfs/dbraw/zinc/07/10/89/599071089.db2.gz JNQVOEOXDBSRJP-IBGZPJMESA-N 0 1 394.454 2.487 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000737546123 599082045 /nfs/dbraw/zinc/08/20/45/599082045.db2.gz CTMFQYFJHXTBDR-OCCSQVGLSA-N 0 1 383.456 2.114 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000737546123 599082047 /nfs/dbraw/zinc/08/20/47/599082047.db2.gz CTMFQYFJHXTBDR-OCCSQVGLSA-N 0 1 383.456 2.114 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000737546123 599082049 /nfs/dbraw/zinc/08/20/49/599082049.db2.gz CTMFQYFJHXTBDR-OCCSQVGLSA-N 0 1 383.456 2.114 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000737546123 599082052 /nfs/dbraw/zinc/08/20/52/599082052.db2.gz CTMFQYFJHXTBDR-OCCSQVGLSA-N 0 1 383.456 2.114 20 0 GEADMN C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1cccs1 ZINC000736858569 599085606 /nfs/dbraw/zinc/08/56/06/599085606.db2.gz TUXGZUBKUWZMPY-BLLLJJGKSA-N 0 1 383.481 2.136 20 0 GEADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1cccs1 ZINC000736858569 599085609 /nfs/dbraw/zinc/08/56/09/599085609.db2.gz TUXGZUBKUWZMPY-BLLLJJGKSA-N 0 1 383.481 2.136 20 0 GEADMN C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1cccs1 ZINC000736858569 599085612 /nfs/dbraw/zinc/08/56/12/599085612.db2.gz TUXGZUBKUWZMPY-BLLLJJGKSA-N 0 1 383.481 2.136 20 0 GEADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1cccs1 ZINC000736858569 599085615 /nfs/dbraw/zinc/08/56/15/599085615.db2.gz TUXGZUBKUWZMPY-BLLLJJGKSA-N 0 1 383.481 2.136 20 0 GEADMN C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000735518048 599097306 /nfs/dbraw/zinc/09/73/06/599097306.db2.gz 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O=C(CN(CCc1ccc(F)cc1)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737863597 599217805 /nfs/dbraw/zinc/21/78/05/599217805.db2.gz GCISDVCWWVCQEB-UHFFFAOYSA-N 0 1 394.454 2.329 20 0 GEADMN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[NH+]2CCC(C(=O)[O-])CC2)C1=O ZINC000739071590 596914908 /nfs/dbraw/zinc/91/49/08/596914908.db2.gz MSOSOKIULZZBLF-OAQYLSRUSA-N 0 1 381.432 2.361 20 0 GEADMN O=C([O-])C1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)CC1 ZINC000262613527 596919967 /nfs/dbraw/zinc/91/99/67/596919967.db2.gz CHRMXAHAOPFACX-AWEZNQCLSA-N 0 1 399.369 2.089 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000737546066 599227790 /nfs/dbraw/zinc/22/77/90/599227790.db2.gz CBZFFVXQWACPAK-DZGCQCFKSA-N 0 1 395.467 2.258 20 0 GEADMN C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818084870 597042267 /nfs/dbraw/zinc/04/22/67/597042267.db2.gz FOBMSIJNGAVOQA-QLJPJBMISA-N 0 1 385.873 2.313 20 0 GEADMN C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818084870 597042271 /nfs/dbraw/zinc/04/22/71/597042271.db2.gz FOBMSIJNGAVOQA-QLJPJBMISA-N 0 1 385.873 2.313 20 0 GEADMN COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000532882000 597083079 /nfs/dbraw/zinc/08/30/79/597083079.db2.gz TZYNMTGVCSJHQD-LSDHHAIUSA-N 0 1 378.469 2.237 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000676232623 597087059 /nfs/dbraw/zinc/08/70/59/597087059.db2.gz FYMJTEWZTSFEDF-INIZCTEOSA-N 0 1 377.460 2.051 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000676232675 597087470 /nfs/dbraw/zinc/08/74/70/597087470.db2.gz GVPXIABRWFTJTE-KRWDZBQOSA-N 0 1 391.537 2.361 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000676232675 597087472 /nfs/dbraw/zinc/08/74/72/597087472.db2.gz GVPXIABRWFTJTE-KRWDZBQOSA-N 0 1 391.537 2.361 20 0 GEADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)C[C@@H](C)O1 ZINC000737761593 597201176 /nfs/dbraw/zinc/20/11/76/597201176.db2.gz BMPZFNJIUZRIBV-RKVPGOIHSA-N 0 1 375.469 2.419 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000263392530 597301109 /nfs/dbraw/zinc/30/11/09/597301109.db2.gz QRASESKYPZIGBR-RVKKMQEKSA-N 0 1 375.469 2.168 20 0 GEADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000263392530 597301113 /nfs/dbraw/zinc/30/11/13/597301113.db2.gz QRASESKYPZIGBR-RVKKMQEKSA-N 0 1 375.469 2.168 20 0 GEADMN C[C@@H](C(=O)[O-])N(C)Cn1nc(C[NH+]2CCCC2)n(-c2ccccc2)c1=S ZINC000817785125 597483578 /nfs/dbraw/zinc/48/35/78/597483578.db2.gz QMNJJOXUNBHXNL-AWEZNQCLSA-N 0 1 375.498 2.361 20 0 GEADMN Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C(=O)[O-] ZINC000820986498 597491062 /nfs/dbraw/zinc/49/10/62/597491062.db2.gz WFJFOKKXRFWWJQ-KSSFIOAISA-N 0 1 385.464 2.107 20 0 GEADMN COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](C(=O)[O-])C3)n2)c(OC)c1 ZINC000818570786 597535708 /nfs/dbraw/zinc/53/57/08/597535708.db2.gz WYOGVHFXRAKNOH-LLVKDONJSA-N 0 1 391.449 2.172 20 0 GEADMN COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@H](C(=O)[O-])C3)n2)c(OC)c1 ZINC000818570786 597535709 /nfs/dbraw/zinc/53/57/09/597535709.db2.gz WYOGVHFXRAKNOH-LLVKDONJSA-N 0 1 391.449 2.172 20 0 GEADMN O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1F)c1c(Cl)nc2sccn21 ZINC000823583374 607328473 /nfs/dbraw/zinc/32/84/73/607328473.db2.gz PWZGYMDMKVBIQZ-UHFFFAOYSA-N 0 1 399.820 2.169 20 0 GEADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000643436603 598174880 /nfs/dbraw/zinc/17/48/80/598174880.db2.gz DEVBRRPXPGSNBX-INIZCTEOSA-N 0 1 381.432 2.056 20 0 GEADMN FC(F)(F)c1ccc(N2CCN(C[C@@H]3CCCO3)CC2)cc1-c1nn[nH]n1 ZINC000822724058 607344901 /nfs/dbraw/zinc/34/49/01/607344901.db2.gz XNPVXBASLYUAIR-ZDUSSCGKSA-N 0 1 382.390 2.187 20 0 GEADMN Cc1ccccc1[C@H]1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737424844 598255110 /nfs/dbraw/zinc/25/51/10/598255110.db2.gz XYZYNDLIFTZGLY-SFHVURJKSA-N 0 1 376.464 2.281 20 0 GEADMN C[C@@H](C(=O)N1CCCCC1)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735518496 598261715 /nfs/dbraw/zinc/26/17/15/598261715.db2.gz FTVFGLIMOYUPAF-HNNXBMFYSA-N 0 1 384.484 2.111 20 0 GEADMN CN(CCN(C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000736798660 598469875 /nfs/dbraw/zinc/46/98/75/598469875.db2.gz FEEBSNUFENIKGW-IBGZPJMESA-N 0 1 391.479 2.040 20 0 GEADMN CC(=O)c1c(C)[nH]c(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1C ZINC000735496897 598502201 /nfs/dbraw/zinc/50/22/01/598502201.db2.gz LZJDBPYZUNCQGC-UHFFFAOYSA-N 0 1 390.403 2.212 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NCc1ccc(Cl)cc1 ZINC000737981144 598504826 /nfs/dbraw/zinc/50/48/26/598504826.db2.gz IUDQYIZBKQKMIE-UHFFFAOYSA-N 0 1 394.822 2.151 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000737549179 598520951 /nfs/dbraw/zinc/52/09/51/598520951.db2.gz UITZEONZDUPQDB-UHFFFAOYSA-N 0 1 383.456 2.115 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000737549179 598520952 /nfs/dbraw/zinc/52/09/52/598520952.db2.gz UITZEONZDUPQDB-UHFFFAOYSA-N 0 1 383.456 2.115 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NC2CC(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000737185642 598618984 /nfs/dbraw/zinc/61/89/84/598618984.db2.gz AEQFQDHZHGKXSH-UHFFFAOYSA-N 0 1 382.449 2.365 20 0 GEADMN CN(CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736797396 598621544 /nfs/dbraw/zinc/62/15/44/598621544.db2.gz HOLMKEIYSQTNBH-LJQANCHMSA-N 0 1 392.463 2.373 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000736168179 598625770 /nfs/dbraw/zinc/62/57/70/598625770.db2.gz IOTOKXBGMIQJLH-SNVBAGLBSA-N 0 1 397.826 2.480 20 0 GEADMN CC[C@H]1CN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H](C)O1 ZINC000736407403 598706539 /nfs/dbraw/zinc/70/65/39/598706539.db2.gz GSTAVSQAWJLCIY-AAEUAGOBSA-N 0 1 378.864 2.348 20 0 GEADMN CC[C@@H]1CN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H](C)O1 ZINC000736408922 598706562 /nfs/dbraw/zinc/70/65/62/598706562.db2.gz LBOQAFSRBAEZLH-NWDGAFQWSA-N 0 1 390.513 2.245 20 0 GEADMN CC[C@H]1CN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H](C)O1 ZINC000736408924 598706961 /nfs/dbraw/zinc/70/69/61/598706961.db2.gz LBOQAFSRBAEZLH-RYUDHWBXSA-N 0 1 390.513 2.245 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(Cc2nc(-c3ccc(F)cc3)no2)c2ccccc12 ZINC000738372835 598720915 /nfs/dbraw/zinc/72/09/15/598720915.db2.gz WREAYXVEWNCCDI-UHFFFAOYSA-N 0 1 389.350 2.419 20 0 GEADMN CC(C)c1cc(C(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)n[nH]1 ZINC000735921536 598753964 /nfs/dbraw/zinc/75/39/64/598753964.db2.gz SZFMSMLPEQPHTB-UHFFFAOYSA-N 0 1 381.440 2.397 20 0 GEADMN O=C(c1cccc2n[nH]cc21)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738277277 598755144 /nfs/dbraw/zinc/75/51/44/598755144.db2.gz BCOAZFORAQGXJV-UHFFFAOYSA-N 0 1 389.419 2.427 20 0 GEADMN C[C@@H](CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccc1 ZINC000735975965 598813602 /nfs/dbraw/zinc/81/36/02/598813602.db2.gz RJMMVCBIMPCWSH-KRWDZBQOSA-N 0 1 393.495 2.354 20 0 GEADMN C[C@@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736159773 599366978 /nfs/dbraw/zinc/36/69/78/599366978.db2.gz ONAVIRTWDUXVTK-MRVPVSSYSA-N 0 1 389.318 2.035 20 0 GEADMN C[C@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(Cl)c1 ZINC000820274318 599381240 /nfs/dbraw/zinc/38/12/40/599381240.db2.gz HCBWFYRBZJCEFH-BZNIZROVSA-N 0 1 386.843 2.104 20 0 GEADMN CN(C)[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccsc1 ZINC000821579845 599407389 /nfs/dbraw/zinc/40/73/89/599407389.db2.gz QAUSBQSUNYYNIL-HNNXBMFYSA-N 0 1 389.460 2.169 20 0 GEADMN c1ccc(N2CC[NH+](CCCCNc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000738434282 599413933 /nfs/dbraw/zinc/41/39/33/599413933.db2.gz CAUUOZFPCXHBSA-UHFFFAOYSA-N 0 1 378.484 2.276 20 0 GEADMN O=C(CC[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Nc1ccc(Br)cc1 ZINC000822968997 599422955 /nfs/dbraw/zinc/42/29/55/599422955.db2.gz GDEDPPXBCWABRW-UHFFFAOYSA-N 0 1 391.229 2.341 20 0 GEADMN Clc1cccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)N2CCOCC2)c1 ZINC000822586258 599432162 /nfs/dbraw/zinc/43/21/62/599432162.db2.gz VRZWEFWRVMZRPR-INIZCTEOSA-N 0 1 388.859 2.276 20 0 GEADMN COc1ccc(CN[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1-c1nn[nH]n1 ZINC000821809107 599434216 /nfs/dbraw/zinc/43/42/16/599434216.db2.gz MDXVUGZWOUSRAX-OAHLLOKOSA-N 0 1 398.854 2.424 20 0 GEADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823797811 599475353 /nfs/dbraw/zinc/47/53/53/599475353.db2.gz SOGGEXRJSRIYSJ-OAHLLOKOSA-N 0 1 379.468 2.470 20 0 GEADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823797811 599475356 /nfs/dbraw/zinc/47/53/56/599475356.db2.gz SOGGEXRJSRIYSJ-OAHLLOKOSA-N 0 1 379.468 2.470 20 0 GEADMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCCC2)c1-c1nn[nH]n1 ZINC000737202070 599507165 /nfs/dbraw/zinc/50/71/65/599507165.db2.gz JATHOMAZVJOYBL-UHFFFAOYSA-N 0 1 379.468 2.368 20 0 GEADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCC1([NH+]2CCCC2)CCOCC1 ZINC000823798336 599530704 /nfs/dbraw/zinc/53/07/04/599530704.db2.gz WMZXOBOUPNRWQJ-UHFFFAOYSA-N 0 1 379.468 2.472 20 0 GEADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCC1([NH+]2CCCC2)CCOCC1 ZINC000823798336 599530706 /nfs/dbraw/zinc/53/07/06/599530706.db2.gz WMZXOBOUPNRWQJ-UHFFFAOYSA-N 0 1 379.468 2.472 20 0 GEADMN C[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)CN1CCOCC1 ZINC000736027029 599534291 /nfs/dbraw/zinc/53/42/91/599534291.db2.gz VKIAUAOZQYVCLN-NSHDSACASA-N 0 1 389.410 2.073 20 0 GEADMN COc1ccc2c(c1)[nH]cc(C(=O)N[C@H](C)c1cccc(-c3nn[nH]n3)c1)c2=O ZINC000821850217 599552978 /nfs/dbraw/zinc/55/29/78/599552978.db2.gz ZPXHEMITUWMNKD-LLVKDONJSA-N 0 1 390.403 2.208 20 0 GEADMN CCN(CCc1ccccn1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821213478 599636618 /nfs/dbraw/zinc/63/66/18/599636618.db2.gz DCVLVRKHYSAHCL-UHFFFAOYSA-N 0 1 376.424 2.376 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736788259 599721607 /nfs/dbraw/zinc/72/16/07/599721607.db2.gz CNNVTUDARWHABR-LBPRGKRZSA-N 0 1 380.420 2.235 20 0 GEADMN CC[NH+]1CCN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)CC1 ZINC000737115854 599736978 /nfs/dbraw/zinc/73/69/78/599736978.db2.gz PPZTUFCWFOAWSA-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/98/08/98/606980898.db2.gz QYYZUWOFDQCOPX-UHFFFAOYSA-N 0 1 388.306 2.220 20 0 GEADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(NS(C)(=O)=O)cc1 ZINC000820426020 607056922 /nfs/dbraw/zinc/05/69/22/607056922.db2.gz DZZDEHIBDZAJJP-NSHDSACASA-N 0 1 390.444 2.228 20 0 GEADMN C[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C[C@H](O)c1ccccc1 ZINC000820760745 607064268 /nfs/dbraw/zinc/06/42/68/607064268.db2.gz SRUXPYHPIORNNS-QRWLVFNGSA-N 0 1 396.470 2.246 20 0 GEADMN O[C@]12CCCC[C@@H]1CN(Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000823698726 607075339 /nfs/dbraw/zinc/07/53/39/607075339.db2.gz QUQZIDBYPMTHAD-BEFAXECRSA-N 0 1 381.440 2.044 20 0 GEADMN O[C@]12CCCC[C@@H]1CN(Cc1nnc(-c3ccc(-c4nn[nH]n4)cc3)o1)CC2 ZINC000823696671 607075373 /nfs/dbraw/zinc/07/53/73/607075373.db2.gz GIPRUWHUECDCQG-BEFAXECRSA-N 0 1 381.440 2.044 20 0 GEADMN O=C(Nc1nnc(CC(F)(F)F)s1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823383155 607100475 /nfs/dbraw/zinc/10/04/75/607100475.db2.gz MSANVZKGPCIDPL-UHFFFAOYSA-N 0 1 391.285 2.354 20 0 GEADMN O=C(CCN1CC(c2nc3ccccc3[nH]2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964986 607103882 /nfs/dbraw/zinc/10/38/82/607103882.db2.gz VVONPEMFUDKGBW-UHFFFAOYSA-N 0 1 388.435 2.171 20 0 GEADMN CC(C)(C)OC(=O)NCCN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819940217 607126919 /nfs/dbraw/zinc/12/69/19/607126919.db2.gz SPBFYCVWRXHDFT-UHFFFAOYSA-N 0 1 388.472 2.235 20 0 GEADMN OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823715894 607175208 /nfs/dbraw/zinc/17/52/08/607175208.db2.gz YSCGLGHGNOEVKZ-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823715894 607175209 /nfs/dbraw/zinc/17/52/09/607175209.db2.gz YSCGLGHGNOEVKZ-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823715894 607175210 /nfs/dbraw/zinc/17/52/10/607175210.db2.gz YSCGLGHGNOEVKZ-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823715894 607175211 /nfs/dbraw/zinc/17/52/11/607175211.db2.gz YSCGLGHGNOEVKZ-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@@H](C)O1 ZINC000820761324 607202544 /nfs/dbraw/zinc/20/25/44/607202544.db2.gz XBMHAKLGKNMFCX-VXGBXAGGSA-N 0 1 393.879 2.141 20 0 GEADMN Cc1cccc(Oc2ccccc2NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822331335 607205080 /nfs/dbraw/zinc/20/50/80/607205080.db2.gz DXHYIENIVVHCAB-UHFFFAOYSA-N 0 1 376.380 2.198 20 0 GEADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000820333791 607212507 /nfs/dbraw/zinc/21/25/07/607212507.db2.gz GIVNHGVDXMBZGT-ZDUSSCGKSA-N 0 1 390.407 2.128 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000823131781 607213781 /nfs/dbraw/zinc/21/37/81/607213781.db2.gz OGDKEFPFJBDDBI-UHFFFAOYSA-N 0 1 380.343 2.028 20 0 GEADMN Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCC[C@H](C)C1 ZINC000822352415 607216873 /nfs/dbraw/zinc/21/68/73/607216873.db2.gz ZCAKZRPKQOSHPN-JCKWVBRZSA-N 0 1 394.483 2.450 20 0 GEADMN CC(C)(C)C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC000819906727 607218437 /nfs/dbraw/zinc/21/84/37/607218437.db2.gz JRQHJNXSNWZHIK-CYBMUJFWSA-N 0 1 388.863 2.405 20 0 GEADMN CCCCCCOc1cc(C)ccc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821056637 607222153 /nfs/dbraw/zinc/22/21/53/607222153.db2.gz VBUMYJNGVLAFLJ-UHFFFAOYSA-N 0 1 398.471 2.042 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1-c1nn[nH]n1 ZINC000821988670 607224861 /nfs/dbraw/zinc/22/48/61/607224861.db2.gz GIUMOPBWQVCJGH-SECBINFHSA-N 0 1 398.496 2.254 20 0 GEADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877214 607795725 /nfs/dbraw/zinc/79/57/25/607795725.db2.gz WYRNCUFBUMXKNR-NVXWUHKLSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877214 607795726 /nfs/dbraw/zinc/79/57/26/607795726.db2.gz WYRNCUFBUMXKNR-NVXWUHKLSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877214 607795727 /nfs/dbraw/zinc/79/57/27/607795727.db2.gz WYRNCUFBUMXKNR-NVXWUHKLSA-N 0 1 391.479 2.292 20 0 GEADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877214 607795728 /nfs/dbraw/zinc/79/57/28/607795728.db2.gz WYRNCUFBUMXKNR-NVXWUHKLSA-N 0 1 391.479 2.292 20 0 GEADMN O[C@@H](CN1CCO[C@@]2(CCc3ccccc32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502543 607803459 /nfs/dbraw/zinc/80/34/59/607803459.db2.gz FVEMLCMICIZWEO-FPOVZHCZSA-N 0 1 377.448 2.074 20 0 GEADMN O=S(=O)(CCN[C@H]1CCc2c1cccc2F)c1cccc(-c2nn[nH]n2)c1 ZINC000826485624 607816007 /nfs/dbraw/zinc/81/60/07/607816007.db2.gz YAJQJBHNPUZDKT-KRWDZBQOSA-N 0 1 387.440 2.057 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826175918 607942817 /nfs/dbraw/zinc/94/28/17/607942817.db2.gz VCSSXFCMCVNFFH-IAGOWNOFSA-N 0 1 399.426 2.201 20 0 GEADMN C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824776496 608036819 /nfs/dbraw/zinc/03/68/19/608036819.db2.gz BPBCXPYQDKKMCT-GFCCVEGCSA-N 0 1 393.455 2.453 20 0 GEADMN C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824776496 608036820 /nfs/dbraw/zinc/03/68/20/608036820.db2.gz BPBCXPYQDKKMCT-GFCCVEGCSA-N 0 1 393.455 2.453 20 0 GEADMN Cc1ccc(-c2cc(C[N@H+](C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)on2)cc1 ZINC000826272818 608037494 /nfs/dbraw/zinc/03/74/94/608037494.db2.gz CQTHFYNZFGYDPV-UHFFFAOYSA-N 0 1 393.455 2.200 20 0 GEADMN Cc1ccc(-c2cc(C[N@@H+](C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)on2)cc1 ZINC000826272818 608037495 /nfs/dbraw/zinc/03/74/95/608037495.db2.gz CQTHFYNZFGYDPV-UHFFFAOYSA-N 0 1 393.455 2.200 20 0 GEADMN COc1ccc2c(c1)CCN([C@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000826213489 608037935 /nfs/dbraw/zinc/03/79/35/608037935.db2.gz YMWZSBFSFVZWOL-CQSZACIVSA-N 0 1 392.463 2.303 20 0 GEADMN Cc1cccc(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)c1-c1nn[nH]n1 ZINC000826303775 608054403 /nfs/dbraw/zinc/05/44/03/608054403.db2.gz DWFXZPVPGJFCOG-UHFFFAOYSA-N 0 1 381.421 2.366 20 0 GEADMN C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826231349 608146190 /nfs/dbraw/zinc/14/61/90/608146190.db2.gz HTWHGXCJIHIMMW-CYBMUJFWSA-N 0 1 393.451 2.184 20 0 GEADMN CCc1nc([C@H](C)NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)n[nH]1 ZINC000825740146 608204822 /nfs/dbraw/zinc/20/48/22/608204822.db2.gz ONXMOIBFLHLMKU-QMMMGPOBSA-N 0 1 399.484 2.033 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826229898 608209734 /nfs/dbraw/zinc/20/97/34/608209734.db2.gz WCVAKVQAOKAZOM-BXKDBHETSA-N 0 1 392.485 2.013 20 0 GEADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826457999 608213555 /nfs/dbraw/zinc/21/35/55/608213555.db2.gz ZAMVINZPOKNDEI-UHFFFAOYSA-N 0 1 378.436 2.076 20 0 GEADMN O=Cc1[nH]nc2cc(C(=O)OCCCOc3ccc(-c4nn[nH]n4)cc3)ccc12 ZINC000826483909 608255137 /nfs/dbraw/zinc/25/51/37/608255137.db2.gz FRCJGDFHRUSJIW-UHFFFAOYSA-N 0 1 392.375 2.181 20 0 GEADMN CC[C@H]1CN(Cc2cn3ccccc3c2-c2nn[nH]n2)CCN1CC(F)F ZINC000825210876 608258730 /nfs/dbraw/zinc/25/87/30/608258730.db2.gz JYXAKWXCIMONLM-AWEZNQCLSA-N 0 1 375.427 2.281 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC000826332569 608313212 /nfs/dbraw/zinc/31/32/12/608313212.db2.gz XXDCOKDIHDIFIR-KRWDZBQOSA-N 0 1 378.484 2.031 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000826169493 608367721 /nfs/dbraw/zinc/36/77/21/608367721.db2.gz URAZHZCMGVIYDO-OAHLLOKOSA-N 0 1 388.472 2.364 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000826168763 608370245 /nfs/dbraw/zinc/37/02/45/608370245.db2.gz XUAIAOLWKRVWPQ-UHFFFAOYSA-N 0 1 388.472 2.364 20 0 GEADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000824005612 608432818 /nfs/dbraw/zinc/43/28/18/608432818.db2.gz ZJAGMSJEMHXPKO-JTQLQIEISA-N 0 1 385.453 2.176 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)CC[C@@H]32)cc1 ZINC000826521383 608433657 /nfs/dbraw/zinc/43/36/57/608433657.db2.gz KDDHNZACEFTSEL-WMZOPIPTSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)CC[C@@H]32)cc1 ZINC000826521383 608433658 /nfs/dbraw/zinc/43/36/58/608433658.db2.gz KDDHNZACEFTSEL-WMZOPIPTSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)CC[C@@H]32)cc1 ZINC000826521383 608433659 /nfs/dbraw/zinc/43/36/59/608433659.db2.gz KDDHNZACEFTSEL-WMZOPIPTSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)CC[C@@H]32)cc1 ZINC000826521383 608433660 /nfs/dbraw/zinc/43/36/60/608433660.db2.gz KDDHNZACEFTSEL-WMZOPIPTSA-N 0 1 376.468 2.148 20 0 GEADMN C[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564476 608459296 /nfs/dbraw/zinc/45/92/96/608459296.db2.gz UKWLHYQFVLXZLV-DYVFJYSZSA-N 0 1 378.436 2.157 20 0 GEADMN C[C@H](NCC(=O)NCCCOC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563149 608461874 /nfs/dbraw/zinc/46/18/74/608461874.db2.gz MGNHXXPUBUXPHP-HNNXBMFYSA-N 0 1 386.500 2.373 20 0 GEADMN CCOC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825560692 608469058 /nfs/dbraw/zinc/46/90/58/608469058.db2.gz VRWAQAYSHLSFSR-CYBMUJFWSA-N 0 1 394.435 2.333 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000826184271 608494068 /nfs/dbraw/zinc/49/40/68/608494068.db2.gz QVWSPNDQMOAFOJ-GFCCVEGCSA-N 0 1 378.436 2.245 20 0 GEADMN CC(=O)Nc1ccccc1CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824004947 608501605 /nfs/dbraw/zinc/50/16/05/608501605.db2.gz HEBHMBHYQKVMNL-UHFFFAOYSA-N 0 1 391.479 2.143 20 0 GEADMN O=S(=O)(CCN[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)Cc1ccccc1 ZINC000826485071 608504188 /nfs/dbraw/zinc/50/41/88/608504188.db2.gz AWIZTVBIILULHY-IBGZPJMESA-N 0 1 397.504 2.449 20 0 GEADMN O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826457423 608508255 /nfs/dbraw/zinc/50/82/55/608508255.db2.gz AIUWLZQIYQKJPU-UHFFFAOYSA-N 0 1 384.465 2.485 20 0 GEADMN O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826457423 608508256 /nfs/dbraw/zinc/50/82/56/608508256.db2.gz AIUWLZQIYQKJPU-UHFFFAOYSA-N 0 1 384.465 2.485 20 0 GEADMN COc1c(C)cc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1C ZINC000826167245 608509006 /nfs/dbraw/zinc/50/90/06/608509006.db2.gz VQSWBSOPBVWNIE-UHFFFAOYSA-N 0 1 379.468 2.209 20 0 GEADMN COCCOc1ccccc1CN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826163197 608514983 /nfs/dbraw/zinc/51/49/83/608514983.db2.gz JXPHBKLLNULORL-UHFFFAOYSA-N 0 1 394.479 2.214 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCc1ccc(Cl)cc1 ZINC000826412130 608530054 /nfs/dbraw/zinc/53/00/54/608530054.db2.gz CHHIIDVOBXQCFM-UHFFFAOYSA-N 0 1 382.855 2.415 20 0 GEADMN O=C(CNC1(c2cccc(Cl)c2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412463 608537373 /nfs/dbraw/zinc/53/73/73/608537373.db2.gz OYDXILFLIFVTBH-UHFFFAOYSA-N 0 1 382.855 2.415 20 0 GEADMN COc1ccccc1OCCN(C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826220698 608593231 /nfs/dbraw/zinc/59/32/31/608593231.db2.gz 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Cc1oc2ccccc2c1C[N@@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826342674 608841246 /nfs/dbraw/zinc/84/12/46/608841246.db2.gz VNWRJHMZRXLWOW-CYBMUJFWSA-N 0 1 390.451 2.422 20 0 GEADMN Cc1cnc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c1 ZINC000826316921 609140992 /nfs/dbraw/zinc/14/09/92/609140992.db2.gz FIEAMGMNWIKCIP-UHFFFAOYSA-N 0 1 391.479 2.227 20 0 GEADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1=O ZINC000826220525 609153776 /nfs/dbraw/zinc/15/37/76/609153776.db2.gz QFSPIGNWOAATGC-WBMJQRKESA-N 0 1 396.426 2.471 20 0 GEADMN Cc1ncc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826329563 609169765 /nfs/dbraw/zinc/16/97/65/609169765.db2.gz ILNVACZQXADWCP-SCLBCKFNSA-N 0 1 392.467 2.120 20 0 GEADMN COc1cccc([C@@H]2[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC[N@@H+]2C2CC2)c1 ZINC000826215175 609323043 /nfs/dbraw/zinc/32/30/43/609323043.db2.gz IMPUBQPCQUCHKA-CRAIPNDOSA-N 0 1 378.440 2.055 20 0 GEADMN COc1cccc([C@@H]2[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC[N@H+]2C2CC2)c1 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ZINC000371161714 532947091 /nfs/dbraw/zinc/94/70/91/532947091.db2.gz YWOATTDRXFZXRJ-LLVKDONJSA-N 0 1 392.257 2.220 20 0 GEADMN CC(C)c1cnc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000735933091 598831637 /nfs/dbraw/zinc/83/16/37/598831637.db2.gz UIIQQRXUGLCMTD-UHFFFAOYSA-N 0 1 384.444 2.166 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737546860 598848712 /nfs/dbraw/zinc/84/87/12/598848712.db2.gz IBZJQHWPPONJND-OAHLLOKOSA-N 0 1 395.467 2.117 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737546860 598848713 /nfs/dbraw/zinc/84/87/13/598848713.db2.gz IBZJQHWPPONJND-OAHLLOKOSA-N 0 1 395.467 2.117 20 0 GEADMN FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737636536 598914711 /nfs/dbraw/zinc/91/47/11/598914711.db2.gz VQNNPBRXBSDBNO-ZDUSSCGKSA-N 0 1 390.373 2.362 20 0 GEADMN FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737636536 598914712 /nfs/dbraw/zinc/91/47/12/598914712.db2.gz VQNNPBRXBSDBNO-ZDUSSCGKSA-N 0 1 390.373 2.362 20 0 GEADMN FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737636536 598914713 /nfs/dbraw/zinc/91/47/13/598914713.db2.gz VQNNPBRXBSDBNO-ZDUSSCGKSA-N 0 1 390.373 2.362 20 0 GEADMN FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737636536 598914714 /nfs/dbraw/zinc/91/47/14/598914714.db2.gz VQNNPBRXBSDBNO-ZDUSSCGKSA-N 0 1 390.373 2.362 20 0 GEADMN O=C(CN(CCO)[C@@H]1CCCc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737862753 598917444 /nfs/dbraw/zinc/91/74/44/598917444.db2.gz BALKXXSXJOZYNN-LJQANCHMSA-N 0 1 392.463 2.177 20 0 GEADMN Cc1nnc(-c2ccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)o1 ZINC000737523125 598924663 /nfs/dbraw/zinc/92/46/63/598924663.db2.gz QDHUJCKVCBERNY-UHFFFAOYSA-N 0 1 383.393 2.026 20 0 GEADMN CN(Cc1nnc[nH]1)C(=O)c1ccccc1Sc1ccccc1-c1nn[nH]n1 ZINC000736830823 598929977 /nfs/dbraw/zinc/92/99/77/598929977.db2.gz QEAUTDVWAHYZEJ-UHFFFAOYSA-N 0 1 392.448 2.408 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN(C)C[C@H]1OCCc2ccccc21 ZINC000737032134 598984950 /nfs/dbraw/zinc/98/49/50/598984950.db2.gz DPBXKWIZUXFPAT-HXUWFJFHSA-N 0 1 395.463 2.500 20 0 GEADMN Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737371319 598986493 /nfs/dbraw/zinc/98/64/93/598986493.db2.gz BPHZDHVIUNCYSK-MAUKXSAKSA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737371319 598986495 /nfs/dbraw/zinc/98/64/95/598986495.db2.gz BPHZDHVIUNCYSK-MAUKXSAKSA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737371319 598986497 /nfs/dbraw/zinc/98/64/97/598986497.db2.gz BPHZDHVIUNCYSK-MAUKXSAKSA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737371319 598986498 /nfs/dbraw/zinc/98/64/98/598986498.db2.gz BPHZDHVIUNCYSK-MAUKXSAKSA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737371320 598986687 /nfs/dbraw/zinc/98/66/87/598986687.db2.gz BPHZDHVIUNCYSK-QAPCUYQASA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737371320 598986689 /nfs/dbraw/zinc/98/66/89/598986689.db2.gz BPHZDHVIUNCYSK-QAPCUYQASA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737371320 598986691 /nfs/dbraw/zinc/98/66/91/598986691.db2.gz BPHZDHVIUNCYSK-QAPCUYQASA-N 0 1 375.436 2.018 20 0 GEADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737371320 598986693 /nfs/dbraw/zinc/98/66/93/598986693.db2.gz BPHZDHVIUNCYSK-QAPCUYQASA-N 0 1 375.436 2.018 20 0 GEADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736614935 598994453 /nfs/dbraw/zinc/99/44/53/598994453.db2.gz WHFPBWULLRVGLU-IAGOWNOFSA-N 0 1 384.484 2.475 20 0 GEADMN CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736529917 599005913 /nfs/dbraw/zinc/00/59/13/599005913.db2.gz BJYDQBVVNRLWPC-UHFFFAOYSA-N 0 1 379.468 2.246 20 0 GEADMN CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736529917 599005915 /nfs/dbraw/zinc/00/59/15/599005915.db2.gz BJYDQBVVNRLWPC-UHFFFAOYSA-N 0 1 379.468 2.246 20 0 GEADMN C[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1)C(C)(C)C ZINC000735526640 599020649 /nfs/dbraw/zinc/02/06/49/599020649.db2.gz YLHBIZHINNDUCV-LBPRGKRZSA-N 0 1 399.455 2.446 20 0 GEADMN Cc1csc([C@@H]2CCCN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737455749 599072694 /nfs/dbraw/zinc/07/26/94/599072694.db2.gz WTBFPCYSJCKTJI-CABCVRRESA-N 0 1 383.481 2.038 20 0 GEADMN CN(CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736804760 599074656 /nfs/dbraw/zinc/07/46/56/599074656.db2.gz UJAMBOUHFGQULH-SFHVURJKSA-N 0 1 392.463 2.373 20 0 GEADMN C[C@@H]1CCC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000736244661 599099556 /nfs/dbraw/zinc/09/95/56/599099556.db2.gz LQQQFLJCPLHFRS-OCCSQVGLSA-N 0 1 385.472 2.207 20 0 GEADMN CN(C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C)C1 ZINC000736856723 599104386 /nfs/dbraw/zinc/10/43/86/599104386.db2.gz MLPVUSSKVWKQRE-INIZCTEOSA-N 0 1 396.451 2.205 20 0 GEADMN CCCCn1c(=O)[nH]nc1SCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000736468831 599159362 /nfs/dbraw/zinc/15/93/62/599159362.db2.gz MISVWJGVYSEVRA-UHFFFAOYSA-N 0 1 399.440 2.306 20 0 GEADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC000823566617 599232269 /nfs/dbraw/zinc/23/22/69/599232269.db2.gz JPEOIVJKUZTAHU-UHFFFAOYSA-N 0 1 384.343 2.222 20 0 GEADMN C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)C1=O ZINC000818084868 597041995 /nfs/dbraw/zinc/04/19/95/597041995.db2.gz FOBMSIJNGAVOQA-MGPLVRAMSA-N 0 1 385.873 2.313 20 0 GEADMN C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)C1=O ZINC000818084868 597042001 /nfs/dbraw/zinc/04/20/01/597042001.db2.gz FOBMSIJNGAVOQA-MGPLVRAMSA-N 0 1 385.873 2.313 20 0 GEADMN CN(CC(=O)[O-])Cn1nc(C[NH+]2CCCCC2)n(-c2ccccc2)c1=S ZINC000739633757 597053887 /nfs/dbraw/zinc/05/38/87/597053887.db2.gz BECCOKBQBNGQJE-UHFFFAOYSA-N 0 1 375.498 2.363 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000385825426 597073099 /nfs/dbraw/zinc/07/30/99/597073099.db2.gz VPMDJXJBICIPTJ-GFCCVEGCSA-N 0 1 390.299 2.410 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000385825426 597073102 /nfs/dbraw/zinc/07/31/02/597073102.db2.gz VPMDJXJBICIPTJ-GFCCVEGCSA-N 0 1 390.299 2.410 20 0 GEADMN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000533203379 597080206 /nfs/dbraw/zinc/08/02/06/597080206.db2.gz ADEKCUMWOZNIJZ-ZNMIVQPWSA-N 0 1 376.453 2.210 20 0 GEADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](CC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000769756420 597084681 /nfs/dbraw/zinc/08/46/81/597084681.db2.gz SLXZWMRUKGYOAW-IXDOHACOSA-N 0 1 389.496 2.425 20 0 GEADMN CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N(C)[C@@H](C)C(=O)[O-])c2c1C ZINC000818229272 597126108 /nfs/dbraw/zinc/12/61/08/597126108.db2.gz ILNCJZYJJBGNKP-JTQLQIEISA-N 0 1 380.470 2.147 20 0 GEADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000824046273 608325136 /nfs/dbraw/zinc/32/51/36/608325136.db2.gz RVJDBJLFYQXTRS-OAGGEKHMSA-N 0 1 384.484 2.332 20 0 GEADMN C[C@@]1(C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000818075898 597455542 /nfs/dbraw/zinc/45/55/42/597455542.db2.gz VBDCJQWAJRXHSQ-LAUBAEHRSA-N 0 1 388.464 2.021 20 0 GEADMN C[C@@]1(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000818075898 597455545 /nfs/dbraw/zinc/45/55/45/597455545.db2.gz VBDCJQWAJRXHSQ-LAUBAEHRSA-N 0 1 388.464 2.021 20 0 GEADMN CC(C)N1CC[NH+](C2CCN(C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000820025104 597459036 /nfs/dbraw/zinc/45/90/36/597459036.db2.gz RKFBLCJNYXHOKR-UHFFFAOYSA-N 0 1 388.512 2.085 20 0 GEADMN C[C@H](C(=O)[O-])N(C)Cn1nc(C[NH+]2CCCC2)n(-c2ccccc2)c1=S ZINC000817785127 597483619 /nfs/dbraw/zinc/48/36/19/597483619.db2.gz QMNJJOXUNBHXNL-CQSZACIVSA-N 0 1 375.498 2.361 20 0 GEADMN C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000820106857 597707623 /nfs/dbraw/zinc/70/76/23/597707623.db2.gz ACGSTYPATZAVHT-JSGCOSHPSA-N 0 1 391.443 2.232 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CSc3ccccc32)cc1-c1nn[nH]n1 ZINC000737187791 599278690 /nfs/dbraw/zinc/27/86/90/599278690.db2.gz VDNIFPZEXNSTTR-NSHDSACASA-N 0 1 386.462 2.266 20 0 GEADMN CC(C)N1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000820131787 599288269 /nfs/dbraw/zinc/28/82/69/599288269.db2.gz FFQQEPJAKOKPKC-UHFFFAOYSA-N 0 1 383.378 2.443 20 0 GEADMN CCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000736701359 599292400 /nfs/dbraw/zinc/29/24/00/599292400.db2.gz AJRFELYEZKIXPY-KRWDZBQOSA-N 0 1 395.467 2.040 20 0 GEADMN COc1cccc([C@H]2[C@@H](NC(=O)N3CCC(C(=O)[O-])CC3)CC[N@H+]2C2CC2)c1 ZINC000820865747 598215934 /nfs/dbraw/zinc/21/59/34/598215934.db2.gz WFFFRBZASKLCDV-OALUTQOASA-N 0 1 387.480 2.479 20 0 GEADMN C[C@@H]1CCC[C@H](N(C)CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247496 598233161 /nfs/dbraw/zinc/23/31/61/598233161.db2.gz FEXHQWUJHGIVNR-JOTOCRJQSA-N 0 1 397.483 2.102 20 0 GEADMN O=C(CNC1(c2ccc(F)cc2)CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737891393 598246564 /nfs/dbraw/zinc/24/65/64/598246564.db2.gz KZYMMDJEDAFYMA-UHFFFAOYSA-N 0 1 380.427 2.291 20 0 GEADMN C[C@H](C(=O)N1CCC(C)CC1)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736278703 598250204 /nfs/dbraw/zinc/25/02/04/598250204.db2.gz UPMVHVKQCBBLHV-MRXNPFEDSA-N 0 1 398.511 2.357 20 0 GEADMN CC(C)COC(=O)N1CCCN(Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000735839440 598254667 /nfs/dbraw/zinc/25/46/67/598254667.db2.gz UUNIFPLKKOIYTN-UHFFFAOYSA-N 0 1 397.483 2.420 20 0 GEADMN Cc1ccc([C@H](CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)N2CCCC2)o1 ZINC000737320746 598285383 /nfs/dbraw/zinc/28/53/83/598285383.db2.gz OWJSDZZNLVBAMG-KRWDZBQOSA-N 0 1 395.467 2.404 20 0 GEADMN Cc1ccc([C@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000737320950 598288322 /nfs/dbraw/zinc/28/83/22/598288322.db2.gz RUIPUJXHKTXKOW-KRWDZBQOSA-N 0 1 395.467 2.133 20 0 GEADMN O=C(C1CCCCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737783114 598297701 /nfs/dbraw/zinc/29/77/01/598297701.db2.gz IHLHPWHOFJSRHT-UHFFFAOYSA-N 0 1 385.472 2.351 20 0 GEADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCCN1Cc1ccccc1 ZINC000738099882 598301159 /nfs/dbraw/zinc/30/11/59/598301159.db2.gz JPRXJPDWPBGETF-SFHVURJKSA-N 0 1 380.427 2.287 20 0 GEADMN O=C(NCCN1CCCCC1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738075766 598330804 /nfs/dbraw/zinc/33/08/04/598330804.db2.gz PKKCRXHSPUAEHA-UHFFFAOYSA-N 0 1 396.451 2.254 20 0 GEADMN CCC1(C)CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736397281 598334323 /nfs/dbraw/zinc/33/43/23/598334323.db2.gz QTHKSTVOJFWFTE-UHFFFAOYSA-N 0 1 397.483 2.101 20 0 GEADMN CCOc1cc2c(cc1C=CC(=O)N=c1cc[nH]cc1-c1nn[nH]n1)O[C@H](C)C2 ZINC000736636797 598379069 /nfs/dbraw/zinc/37/90/69/598379069.db2.gz SGFXRVKZVHLQNU-ZYOFXKKJSA-N 0 1 392.419 2.058 20 0 GEADMN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737859591 598381911 /nfs/dbraw/zinc/38/19/11/598381911.db2.gz FVALCDLIVZJALJ-UHFFFAOYSA-N 0 1 397.345 2.188 20 0 GEADMN Clc1cc(-c2nn[nH]n2)cnc1NCCN1CCN(Cc2ccccc2)CC1 ZINC000737556967 598387150 /nfs/dbraw/zinc/38/71/50/598387150.db2.gz ALXMQAVQJDGMAF-UHFFFAOYSA-N 0 1 398.902 2.145 20 0 GEADMN CCCO[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CC1 ZINC000736486987 598512952 /nfs/dbraw/zinc/51/29/52/598512952.db2.gz CHSYKADVWQZCQL-LLVKDONJSA-N 0 1 392.485 2.111 20 0 GEADMN CC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736350196 598529488 /nfs/dbraw/zinc/52/94/88/598529488.db2.gz KSMNCDWSEJYWDU-GFCCVEGCSA-N 0 1 384.465 2.440 20 0 GEADMN CCN(CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736542603 598621423 /nfs/dbraw/zinc/62/14/23/598621423.db2.gz UKPFVVOYTCMVOK-GOSISDBHSA-N 0 1 392.463 2.373 20 0 GEADMN Cc1cc(C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c(C)n1Cc1ccccc1 ZINC000737227743 598677404 /nfs/dbraw/zinc/67/74/04/598677404.db2.gz QNHQXJBWPKMGOX-UHFFFAOYSA-N 0 1 388.431 2.378 20 0 GEADMN CC(C)Cc1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000735851049 598720568 /nfs/dbraw/zinc/72/05/68/598720568.db2.gz KISODUVPYVILMY-UHFFFAOYSA-N 0 1 385.815 2.465 20 0 GEADMN C[C@@H](Nc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)[C@@H](C)N1CCOCC1 ZINC000736136679 598771807 /nfs/dbraw/zinc/77/18/07/598771807.db2.gz GOFKENBRCLUTBQ-GHMZBOCLSA-N 0 1 389.410 2.214 20 0 GEADMN Cc1sc(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c(-c2nn[nH]n2)c1C ZINC000737487276 598808010 /nfs/dbraw/zinc/80/80/10/598808010.db2.gz HDNRBLYVISDHKP-UHFFFAOYSA-N 0 1 398.452 2.091 20 0 GEADMN C[C@H](CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccc1 ZINC000735975966 598814023 /nfs/dbraw/zinc/81/40/23/598814023.db2.gz RJMMVCBIMPCWSH-QGZVFWFLSA-N 0 1 393.495 2.354 20 0 GEADMN Cc1cc(C)cc([C@H](O)CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000822196510 599304519 /nfs/dbraw/zinc/30/45/19/599304519.db2.gz LUXQMVYWKDZWKI-LJQANCHMSA-N 0 1 396.470 2.478 20 0 GEADMN Cc1nn(C)c(C)c1CN1CCN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737509764 599317799 /nfs/dbraw/zinc/31/77/99/599317799.db2.gz JMIHJCUPCSQFGE-OAHLLOKOSA-N 0 1 380.500 2.096 20 0 GEADMN CN1CCN(c2ccc(CNc3cc(Cl)ccc3-c3nn[nH]n3)cn2)CC1 ZINC000736868555 599401456 /nfs/dbraw/zinc/40/14/56/599401456.db2.gz SUTIGLAMYMHQNG-UHFFFAOYSA-N 0 1 384.875 2.279 20 0 GEADMN CCCNC(=O)c1cccc(CNCc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821118117 599406591 /nfs/dbraw/zinc/40/65/91/599406591.db2.gz HMZGSMDMDKWNJY-UHFFFAOYSA-N 0 1 380.452 2.305 20 0 GEADMN O[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)COc1ccc(C(F)(F)F)cc1 ZINC000823689556 599415662 /nfs/dbraw/zinc/41/56/62/599415662.db2.gz HULDPOWREZCGLX-LLVKDONJSA-N 0 1 383.330 2.008 20 0 GEADMN O[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)COc1cccc(C(F)(F)F)c1 ZINC000823689336 599415869 /nfs/dbraw/zinc/41/58/69/599415869.db2.gz DYXBFXAWLMKFKA-LLVKDONJSA-N 0 1 383.330 2.008 20 0 GEADMN FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000822736279 599443885 /nfs/dbraw/zinc/44/38/85/599443885.db2.gz CMOQZNYSWGUAPM-LLVKDONJSA-N 0 1 376.367 2.430 20 0 GEADMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C(C)(C)CO)c1-c1nn[nH]n1 ZINC000737202137 599445907 /nfs/dbraw/zinc/44/59/07/599445907.db2.gz KPCYHGACTMQVPQ-UHFFFAOYSA-N 0 1 389.504 2.041 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821979639 599448915 /nfs/dbraw/zinc/44/89/15/599448915.db2.gz UOVZWQSMXXJVLV-SCLBCKFNSA-N 0 1 382.449 2.149 20 0 GEADMN COc1ccc2c(c1)OCC[C@@H]2NCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821854833 599449834 /nfs/dbraw/zinc/44/98/34/599449834.db2.gz XHABDOGCGBBWRD-INIZCTEOSA-N 0 1 377.408 2.136 20 0 GEADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736230892 599477454 /nfs/dbraw/zinc/47/74/54/599477454.db2.gz ABZWSONXMGTRAJ-RDTXWAMCSA-N 0 1 394.454 2.500 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)nc(C)n3C)cc1-c1nn[nH]n1 ZINC000821979487 599551274 /nfs/dbraw/zinc/55/12/74/599551274.db2.gz SJSMBPUFHAAKJO-UHFFFAOYSA-N 0 1 396.436 2.137 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)Cc2ccc(C)s2)cc1-c1nn[nH]n1 ZINC000737186928 599604323 /nfs/dbraw/zinc/60/43/23/599604323.db2.gz LUSOVKXSSIOSGJ-MRVPVSSYSA-N 0 1 390.494 2.420 20 0 GEADMN Cc1ccc2nc(CNC(=O)CSc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000822271309 599655598 /nfs/dbraw/zinc/65/55/98/599655598.db2.gz WLOXQWKNPLDUQY-UHFFFAOYSA-N 0 1 379.449 2.460 20 0 GEADMN Cc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000738409368 599709140 /nfs/dbraw/zinc/70/91/40/599709140.db2.gz VDJFFCQSNQCXNJ-UHFFFAOYSA-N 0 1 394.479 2.276 20 0 GEADMN O=C([O-])c1ccc(CCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000740121186 599722457 /nfs/dbraw/zinc/72/24/57/599722457.db2.gz FBZRQRCXEWZWSM-FQEVSTJZSA-N 0 1 382.460 2.242 20 0 GEADMN O=C([O-])Cn1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000663144947 599734280 /nfs/dbraw/zinc/73/42/80/599734280.db2.gz QTKWMLZCDYMNAZ-KRWDZBQOSA-N 0 1 396.369 2.361 20 0 GEADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000737105972 599754751 /nfs/dbraw/zinc/75/47/51/599754751.db2.gz IUOUFDAUVBDOST-MRXNPFEDSA-N 0 1 376.453 2.136 20 0 GEADMN CC[N@H+](C)[C@H](C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)c1ccccc1 ZINC000737069274 599755003 /nfs/dbraw/zinc/75/50/03/599755003.db2.gz PZCYRHOJGWOGAO-FQEVSTJZSA-N 0 1 383.448 2.061 20 0 GEADMN CC[N@@H+](C)[C@H](C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)c1ccccc1 ZINC000737069274 599755006 /nfs/dbraw/zinc/75/50/06/599755006.db2.gz PZCYRHOJGWOGAO-FQEVSTJZSA-N 0 1 383.448 2.061 20 0 GEADMN C[N@@H+](CCN1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1)Cc1ccccc1 ZINC000647141979 599764748 /nfs/dbraw/zinc/76/47/48/599764748.db2.gz FVEDASMNBWLUNY-UHFFFAOYSA-N 0 1 381.476 2.275 20 0 GEADMN O=C([O-])c1coc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000740268258 599850832 /nfs/dbraw/zinc/85/08/32/599850832.db2.gz GGTZFLCDIQKKKL-KRWDZBQOSA-N 0 1 384.480 2.407 20 0 GEADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000740268258 599850835 /nfs/dbraw/zinc/85/08/35/599850835.db2.gz GGTZFLCDIQKKKL-KRWDZBQOSA-N 0 1 384.480 2.407 20 0 GEADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000514730103 599864313 /nfs/dbraw/zinc/86/43/13/599864313.db2.gz OJJLRCARUCGASH-CYBMUJFWSA-N 0 1 395.358 2.020 20 0 GEADMN O=C([O-])Nc1cccc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000740032373 599931138 /nfs/dbraw/zinc/93/11/38/599931138.db2.gz WXYRHZJYPJHSQQ-UHFFFAOYSA-N 0 1 386.427 2.468 20 0 GEADMN Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000739055208 599932627 /nfs/dbraw/zinc/93/26/27/599932627.db2.gz HCLCBYPSMSLPTQ-GOSISDBHSA-N 0 1 384.480 2.354 20 0 GEADMN C[C@H](C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1)C(=O)[O-] ZINC000736578602 599950383 /nfs/dbraw/zinc/95/03/83/599950383.db2.gz NTDAQLXFNICPJP-PBHICJAKSA-N 0 1 388.464 2.306 20 0 GEADMN C[C@H](C[N@H+](CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O)C1CC1)C(=O)[O-] ZINC000736580067 599953509 /nfs/dbraw/zinc/95/35/09/599953509.db2.gz XKCORZYVXRJULF-DIFFPNOSSA-N 0 1 399.369 2.139 20 0 GEADMN C[C@H](C[N@@H+](CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O)C1CC1)C(=O)[O-] ZINC000736580067 599953512 /nfs/dbraw/zinc/95/35/12/599953512.db2.gz XKCORZYVXRJULF-DIFFPNOSSA-N 0 1 399.369 2.139 20 0 GEADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736995898 599958692 /nfs/dbraw/zinc/95/86/92/599958692.db2.gz QTZABRNUSYNTKT-KRWDZBQOSA-N 0 1 390.484 2.277 20 0 GEADMN Cc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n2nc(C(=O)[O-])nc2n1 ZINC000738460873 599960100 /nfs/dbraw/zinc/96/01/00/599960100.db2.gz RBJCCMBINAEDDM-INIZCTEOSA-N 0 1 380.452 2.107 20 0 GEADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](CCO)Cc1ccccc1 ZINC000737505838 599961832 /nfs/dbraw/zinc/96/18/32/599961832.db2.gz QSQNUPFQRSLVMQ-HXUWFJFHSA-N 0 1 395.459 2.216 20 0 GEADMN Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738850714 599969270 /nfs/dbraw/zinc/96/92/70/599969270.db2.gz VBMHMYJWYHVXTI-INIZCTEOSA-N 0 1 385.468 2.252 20 0 GEADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000737505071 599973110 /nfs/dbraw/zinc/97/31/10/599973110.db2.gz CKHYQANGYBEAGK-FUHIMQAGSA-N 0 1 398.507 2.280 20 0 GEADMN Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccc(C(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738232239 599978471 /nfs/dbraw/zinc/97/84/71/599978471.db2.gz XQIKVJHRUXTHAH-QGZVFWFLSA-N 0 1 383.452 2.260 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3cccc(OCC(=O)[O-])c3)C2)nc(C)[nH+]1 ZINC000738231036 599980547 /nfs/dbraw/zinc/98/05/47/599980547.db2.gz OPAYJLWXOXYBBP-INIZCTEOSA-N 0 1 399.451 2.347 20 0 GEADMN O=C([O-])c1csc(S(=O)(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000740270941 599986329 /nfs/dbraw/zinc/98/63/29/599986329.db2.gz IRBHTQNICXZTNO-OAHLLOKOSA-N 0 1 394.518 2.289 20 0 GEADMN Cc1cc(C(=O)C[NH+]2CCC(C(=O)[O-])CC2)c(C)n1NC(=O)c1ccccc1 ZINC000738203546 600034476 /nfs/dbraw/zinc/03/44/76/600034476.db2.gz 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/nfs/dbraw/zinc/89/46/97/605894697.db2.gz IWCUBPOWBUIOKV-UGSOOPFHSA-N 0 1 383.452 2.304 20 0 GEADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833614797 605903123 /nfs/dbraw/zinc/90/31/23/605903123.db2.gz VBQBJEOGXRTAMZ-RYUDHWBXSA-N 0 1 381.860 2.213 20 0 GEADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820235175 605916139 /nfs/dbraw/zinc/91/61/39/605916139.db2.gz GVCLFUSKBMVCRO-CVEARBPZSA-N 0 1 387.480 2.436 20 0 GEADMN C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833634964 605920110 /nfs/dbraw/zinc/92/01/10/605920110.db2.gz MCZFONUWGHWJBJ-AAEUAGOBSA-N 0 1 379.844 2.062 20 0 GEADMN C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833634964 605920113 /nfs/dbraw/zinc/92/01/13/605920113.db2.gz MCZFONUWGHWJBJ-AAEUAGOBSA-N 0 1 379.844 2.062 20 0 GEADMN C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000833829352 605929915 /nfs/dbraw/zinc/92/99/15/605929915.db2.gz JGWRQMGINFRDMT-OPYAIIAOSA-N 0 1 389.496 2.086 20 0 GEADMN C[C@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@H](NC(=O)[O-])C4)nc(N)c32)C1 ZINC000739111603 605936919 /nfs/dbraw/zinc/93/69/19/605936919.db2.gz BBMYZBBEJSJMCS-QWRGUYRKSA-N 0 1 375.498 2.283 20 0 GEADMN O=C([O-])N(CC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1CC1 ZINC000834003013 605965923 /nfs/dbraw/zinc/96/59/23/605965923.db2.gz ALTZOFDWROPAJK-UHFFFAOYSA-N 0 1 386.452 2.054 20 0 GEADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000833919474 605966026 /nfs/dbraw/zinc/96/60/26/605966026.db2.gz XKCMKHZIMYCENH-BBRMVZONSA-N 0 1 386.456 2.153 20 0 GEADMN O=C([O-])NC[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc2ccccc2c1 ZINC000834206692 605974118 /nfs/dbraw/zinc/97/41/18/605974118.db2.gz MPUBSFPBQDZNJN-LJQANCHMSA-N 0 1 378.432 2.450 20 0 GEADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000834029482 605996235 /nfs/dbraw/zinc/99/62/35/605996235.db2.gz UFGTXMFLJPSEHJ-HIFRSBDPSA-N 0 1 392.525 2.102 20 0 GEADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000834029482 605996245 /nfs/dbraw/zinc/99/62/45/605996245.db2.gz UFGTXMFLJPSEHJ-HIFRSBDPSA-N 0 1 392.525 2.102 20 0 GEADMN CN(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000821593964 606075440 /nfs/dbraw/zinc/07/54/40/606075440.db2.gz RSZNXLFNNWBWQD-IBGZPJMESA-N 0 1 391.479 2.406 20 0 GEADMN CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821457566 606128450 /nfs/dbraw/zinc/12/84/50/606128450.db2.gz XGSZCPANVJTPGX-NEPJUHHUSA-N 0 1 394.526 2.483 20 0 GEADMN CCOC[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000821368171 606190473 /nfs/dbraw/zinc/19/04/73/606190473.db2.gz RMWSMJUZPDBGPN-RYUDHWBXSA-N 0 1 390.513 2.102 20 0 GEADMN CCOC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821367249 606190791 /nfs/dbraw/zinc/19/07/91/606190791.db2.gz DSTTUXZNEPZOJB-VXGBXAGGSA-N 0 1 378.864 2.206 20 0 GEADMN CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000821001550 606275346 /nfs/dbraw/zinc/27/53/46/606275346.db2.gz ROOMODMZFFPQDE-BZUAXINKSA-N 0 1 384.484 2.109 20 0 GEADMN C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1)c1nnc[nH]1 ZINC000820397081 606288070 /nfs/dbraw/zinc/28/80/70/606288070.db2.gz LQOJQIVXZFVYEM-GFCCVEGCSA-N 0 1 390.407 2.055 20 0 GEADMN CN(CCNC(=O)CCc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1 ZINC000821602430 606366382 /nfs/dbraw/zinc/36/63/82/606366382.db2.gz BGLVVHSLYQGUEB-UHFFFAOYSA-N 0 1 382.443 2.187 20 0 GEADMN C[N@H+](CCNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821602747 606402914 /nfs/dbraw/zinc/40/29/14/606402914.db2.gz RYOVBPCCEFXGBV-UHFFFAOYSA-N 0 1 378.415 2.493 20 0 GEADMN C[N@@H+](CCNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821602747 606402915 /nfs/dbraw/zinc/40/29/15/606402915.db2.gz RYOVBPCCEFXGBV-UHFFFAOYSA-N 0 1 378.415 2.493 20 0 GEADMN C[N@H+](CCNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000821602747 606402916 /nfs/dbraw/zinc/40/29/16/606402916.db2.gz RYOVBPCCEFXGBV-UHFFFAOYSA-N 0 1 378.415 2.493 20 0 GEADMN C[N@@H+](CCNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000821602747 606402917 /nfs/dbraw/zinc/40/29/17/606402917.db2.gz RYOVBPCCEFXGBV-UHFFFAOYSA-N 0 1 378.415 2.493 20 0 GEADMN C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)cn2)C[C@@H](C)O1 ZINC000820774511 606409487 /nfs/dbraw/zinc/40/94/87/606409487.db2.gz DYLNOBPSVKCQNL-CHWSQXEVSA-N 0 1 385.497 2.227 20 0 GEADMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820431228 606421892 /nfs/dbraw/zinc/42/18/92/606421892.db2.gz BYXBKQNONPQQHA-RHSMWYFYSA-N 0 1 384.509 2.307 20 0 GEADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820431228 606421894 /nfs/dbraw/zinc/42/18/94/606421894.db2.gz BYXBKQNONPQQHA-RHSMWYFYSA-N 0 1 384.509 2.307 20 0 GEADMN FC(F)(F)c1cc(N2CCN(C[C@@H]3CCCO3)CC2)ccc1-c1nn[nH]n1 ZINC000822723458 606440671 /nfs/dbraw/zinc/44/06/71/606440671.db2.gz FSWHSMAXZOEJBF-ZDUSSCGKSA-N 0 1 382.390 2.187 20 0 GEADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000822732897 606518609 /nfs/dbraw/zinc/51/86/09/606518609.db2.gz NXVNHRTXFJUVRJ-HNNXBMFYSA-N 0 1 395.410 2.238 20 0 GEADMN Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000822226395 606524790 /nfs/dbraw/zinc/52/47/90/606524790.db2.gz QKKYRDGNJHMYFL-UHFFFAOYSA-N 0 1 397.414 2.142 20 0 GEADMN C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821586441 606538305 /nfs/dbraw/zinc/53/83/05/606538305.db2.gz XZTCAAGTZYPTOF-UHFFFAOYSA-N 0 1 392.435 2.410 20 0 GEADMN Cc1nc([C@H]2CCCN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)n[nH]1 ZINC000822436057 606726070 /nfs/dbraw/zinc/72/60/70/606726070.db2.gz GSSLQHFPBUVZQM-VIFPVBQESA-N 0 1 379.350 2.091 20 0 GEADMN Cc1nnc([C@H]2CCCN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)[nH]1 ZINC000822436057 606726071 /nfs/dbraw/zinc/72/60/71/606726071.db2.gz GSSLQHFPBUVZQM-VIFPVBQESA-N 0 1 379.350 2.091 20 0 GEADMN COCCOc1cc(C)ccc1CNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821693181 606729036 /nfs/dbraw/zinc/72/90/36/606729036.db2.gz VXLQNEZLJGKCGP-UHFFFAOYSA-N 0 1 393.451 2.138 20 0 GEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820760638 606750011 /nfs/dbraw/zinc/75/00/11/606750011.db2.gz RITVBOGCHZATFQ-QWHZDKJVSA-N 0 1 391.479 2.148 20 0 GEADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820760638 606750013 /nfs/dbraw/zinc/75/00/13/606750013.db2.gz RITVBOGCHZATFQ-QWHZDKJVSA-N 0 1 391.479 2.148 20 0 GEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820760638 606750015 /nfs/dbraw/zinc/75/00/15/606750015.db2.gz RITVBOGCHZATFQ-QWHZDKJVSA-N 0 1 391.479 2.148 20 0 GEADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820760638 606750017 /nfs/dbraw/zinc/75/00/17/606750017.db2.gz RITVBOGCHZATFQ-QWHZDKJVSA-N 0 1 391.479 2.148 20 0 GEADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCCOc1ccccc1 ZINC000820788505 606782469 /nfs/dbraw/zinc/78/24/69/606782469.db2.gz IQKZIKXPGALSEL-INIZCTEOSA-N 0 1 394.483 2.026 20 0 GEADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCCOc1ccccc1 ZINC000820788505 606782471 /nfs/dbraw/zinc/78/24/71/606782471.db2.gz IQKZIKXPGALSEL-INIZCTEOSA-N 0 1 394.483 2.026 20 0 GEADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCCCOc1ccccc1 ZINC000820788505 606782472 /nfs/dbraw/zinc/78/24/72/606782472.db2.gz IQKZIKXPGALSEL-INIZCTEOSA-N 0 1 394.483 2.026 20 0 GEADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCCCOc1ccccc1 ZINC000820788505 606782474 /nfs/dbraw/zinc/78/24/74/606782474.db2.gz IQKZIKXPGALSEL-INIZCTEOSA-N 0 1 394.483 2.026 20 0 GEADMN CN(C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000821572301 606812310 /nfs/dbraw/zinc/81/23/10/606812310.db2.gz ZCTCCMFBDIBRRY-HNNXBMFYSA-N 0 1 398.417 2.491 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000822535336 606819221 /nfs/dbraw/zinc/81/92/21/606819221.db2.gz NRANVDXAYKRPHQ-OCCSQVGLSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000822535336 606819223 /nfs/dbraw/zinc/81/92/23/606819223.db2.gz NRANVDXAYKRPHQ-OCCSQVGLSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000822535336 606819225 /nfs/dbraw/zinc/81/92/25/606819225.db2.gz NRANVDXAYKRPHQ-OCCSQVGLSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000822535336 606819226 /nfs/dbraw/zinc/81/92/26/606819226.db2.gz NRANVDXAYKRPHQ-OCCSQVGLSA-N 0 1 383.456 2.017 20 0 GEADMN O=S(=O)(NCc1ccc(Cl)s1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578711 606885263 /nfs/dbraw/zinc/88/52/63/606885263.db2.gz UAQWKCNFCXVSHV-UHFFFAOYSA-N 0 1 391.812 2.338 20 0 GEADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)CC(=O)N(C)C1CCCCC1 ZINC000821600711 606885739 /nfs/dbraw/zinc/88/57/39/606885739.db2.gz ZVNUGLPHLKDHMK-UHFFFAOYSA-N 0 1 386.500 2.359 20 0 GEADMN CS[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821949926 606892185 /nfs/dbraw/zinc/89/21/85/606892185.db2.gz JWHGZASNBIZRHR-UWVGGRQHSA-N 0 1 389.453 2.097 20 0 GEADMN Cc1ccc(CC[C@@H](C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)o1 ZINC000822236305 606894554 /nfs/dbraw/zinc/89/45/54/606894554.db2.gz SYTJVSJNULZEJW-SECBINFHSA-N 0 1 397.407 2.346 20 0 GEADMN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@H]1N1CCOCC1 ZINC000820766180 606942950 /nfs/dbraw/zinc/94/29/50/606942950.db2.gz AISLJWZYUPNXPY-IAQYHMDHSA-N 0 1 382.390 2.042 20 0 GEADMN O=C(NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000823155018 606962928 /nfs/dbraw/zinc/96/29/28/606962928.db2.gz MUMVSBGPLLAHDG-UHFFFAOYSA-N 0 1 380.427 2.400 20 0 GEADMN COC(C)(C)CN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821672348 606985661 /nfs/dbraw/zinc/98/56/61/606985661.db2.gz HQSMRZQNUYVOBA-SNVBAGLBSA-N 0 1 378.502 2.101 20 0 GEADMN CCc1oc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1C ZINC000821558540 607155143 /nfs/dbraw/zinc/15/51/43/607155143.db2.gz ASKAJRPOWWRZDP-UHFFFAOYSA-N 0 1 397.439 2.158 20 0 GEADMN CCOCCC1(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CCC1 ZINC000821374587 607159868 /nfs/dbraw/zinc/15/98/68/607159868.db2.gz XOJOKPZLPRMJMH-UHFFFAOYSA-N 0 1 392.485 2.016 20 0 GEADMN CCS[C@H](C)c1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)n1 ZINC000821449257 607165557 /nfs/dbraw/zinc/16/55/57/607165557.db2.gz RKHNYVGURHHNPB-SNVBAGLBSA-N 0 1 383.437 2.427 20 0 GEADMN OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823715898 607175114 /nfs/dbraw/zinc/17/51/14/607175114.db2.gz YSCGLGHGNOEVKZ-HOCLYGCPSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823715898 607175115 /nfs/dbraw/zinc/17/51/15/607175115.db2.gz YSCGLGHGNOEVKZ-HOCLYGCPSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823715898 607175116 /nfs/dbraw/zinc/17/51/16/607175116.db2.gz YSCGLGHGNOEVKZ-HOCLYGCPSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823715898 607175117 /nfs/dbraw/zinc/17/51/17/607175117.db2.gz YSCGLGHGNOEVKZ-HOCLYGCPSA-N 0 1 399.886 2.210 20 0 GEADMN O=C(NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1)c1n[nH]c2ccccc21 ZINC000823269349 607230919 /nfs/dbraw/zinc/23/09/19/607230919.db2.gz DEMUZBOHEWZENE-UHFFFAOYSA-N 0 1 385.391 2.063 20 0 GEADMN Cc1cnn(-c2ccncc2NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000826319633 607775309 /nfs/dbraw/zinc/77/53/09/607775309.db2.gz LFHUPXOPKNIZTP-UHFFFAOYSA-N 0 1 382.334 2.286 20 0 GEADMN O=C(C(C1CC1)C1CC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826396793 607805051 /nfs/dbraw/zinc/80/50/51/607805051.db2.gz KYSGKDBHHDXWLM-UHFFFAOYSA-N 0 1 380.496 2.337 20 0 GEADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)Nc1ccccc1-c1nnc[nH]1 ZINC000826420918 607813627 /nfs/dbraw/zinc/81/36/27/607813627.db2.gz JAFAIJOIXHDPBS-UHFFFAOYSA-N 0 1 378.421 2.383 20 0 GEADMN O=S(=O)(CCN1CCC[C@H]1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484766 607814975 /nfs/dbraw/zinc/81/49/75/607814975.db2.gz OJBCZCHIZYZJQD-SFHVURJKSA-N 0 1 397.504 2.348 20 0 GEADMN CCc1ccc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000825712397 607815425 /nfs/dbraw/zinc/81/54/25/607815425.db2.gz QKBDSJLQIDPAAN-UHFFFAOYSA-N 0 1 377.495 2.054 20 0 GEADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824899899 607828816 /nfs/dbraw/zinc/82/88/16/607828816.db2.gz QAUJJTKLPBDESF-JKIFEVAISA-N 0 1 375.498 2.293 20 0 GEADMN C[C@@H]1CN(Cc2ccc(CNc3cnccc3-c3nn[nH]n3)cc2)C[C@@H](C)O1 ZINC000824984476 607839294 /nfs/dbraw/zinc/83/92/94/607839294.db2.gz KBTVAHPQVRYLBX-HUUCEWRRSA-N 0 1 379.468 2.483 20 0 GEADMN CC(=O)N1CC[C@@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc21 ZINC000823972750 607939571 /nfs/dbraw/zinc/93/95/71/607939571.db2.gz GLVPMFIWHZGZBH-QGZVFWFLSA-N 0 1 388.435 2.102 20 0 GEADMN CN1CC[C@@H](NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[C@H]1c1ccccc1 ZINC000826029616 608007075 /nfs/dbraw/zinc/00/70/75/608007075.db2.gz UWVJURPLTOWBAL-GDBMZVCRSA-N 0 1 383.843 2.090 20 0 GEADMN CCc1ccc([C@@H](C)C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825705103 608020758 /nfs/dbraw/zinc/02/07/58/608020758.db2.gz WBSWGQUAHAHWGP-GFCCVEGCSA-N 0 1 382.472 2.046 20 0 GEADMN CCc1ccc([C@@H](C)C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825705103 608020759 /nfs/dbraw/zinc/02/07/59/608020759.db2.gz WBSWGQUAHAHWGP-GFCCVEGCSA-N 0 1 382.472 2.046 20 0 GEADMN CCSc1ccccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825674669 608020780 /nfs/dbraw/zinc/02/07/80/608020780.db2.gz PQWSNIOUWNPVIX-UHFFFAOYSA-N 0 1 386.485 2.106 20 0 GEADMN CCSc1ccccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825674669 608020781 /nfs/dbraw/zinc/02/07/81/608020781.db2.gz PQWSNIOUWNPVIX-UHFFFAOYSA-N 0 1 386.485 2.106 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(C)c3)CCC2)c1-c1nnn[n-]1 ZINC000826073123 608020950 /nfs/dbraw/zinc/02/09/50/608020950.db2.gz FYMREHNWXJGGDS-UHFFFAOYSA-N 0 1 394.483 2.111 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(C)c3)CCC2)c1-c1nn[n-]n1 ZINC000826073123 608020951 /nfs/dbraw/zinc/02/09/51/608020951.db2.gz FYMREHNWXJGGDS-UHFFFAOYSA-N 0 1 394.483 2.111 20 0 GEADMN CCc1ccc([C@@H](C)CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825705192 608021016 /nfs/dbraw/zinc/02/10/16/608021016.db2.gz YJVXLDHPTOSIKX-ZDUSSCGKSA-N 0 1 396.499 2.437 20 0 GEADMN CCc1ccc([C@@H](C)CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825705192 608021017 /nfs/dbraw/zinc/02/10/17/608021017.db2.gz YJVXLDHPTOSIKX-ZDUSSCGKSA-N 0 1 396.499 2.437 20 0 GEADMN O=C(CCn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NCc1ccc(F)cc1 ZINC000826409661 608022915 /nfs/dbraw/zinc/02/29/15/608022915.db2.gz JSCSDUQFMXTMDP-UHFFFAOYSA-N 0 1 392.394 2.027 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC(Nc2ccccn2)CC1 ZINC000826175520 608045025 /nfs/dbraw/zinc/04/50/25/608045025.db2.gz HWECPGBGNQGZGL-UHFFFAOYSA-N 0 1 395.467 2.226 20 0 GEADMN C[NH+](C)CCOc1cc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)ccn1 ZINC000825870117 608100569 /nfs/dbraw/zinc/10/05/69/608100569.db2.gz AFQNDCDIALCMDV-UHFFFAOYSA-N 0 1 390.451 2.362 20 0 GEADMN Cc1cccc([C@@H]2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297298 608127880 /nfs/dbraw/zinc/12/78/80/608127880.db2.gz AXRXITUJBJDCCS-LJQANCHMSA-N 0 1 376.464 2.281 20 0 GEADMN C[C@@H](NCCn1cc(Br)cn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824604920 608132138 /nfs/dbraw/zinc/13/21/38/608132138.db2.gz FINAEWGOISKCLZ-SECBINFHSA-N 0 1 380.225 2.316 20 0 GEADMN C[C@H]1CCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000824925486 608145549 /nfs/dbraw/zinc/14/55/49/608145549.db2.gz DDPFCGJCIUAPPT-QWHCGFSZSA-N 0 1 397.439 2.200 20 0 GEADMN O=C1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1c1c(F)cccc1F ZINC000826479324 608162617 /nfs/dbraw/zinc/16/26/17/608162617.db2.gz WOTNIAWUHDTEJS-VIFPVBQESA-N 0 1 376.392 2.102 20 0 GEADMN CCc1nc([C@@H](C)NC(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000825739311 608204799 /nfs/dbraw/zinc/20/47/99/608204799.db2.gz CTCBKVOMXVZKED-ZCFIWIBFSA-N 0 1 381.227 2.345 20 0 GEADMN c1cc2nc(N[C@@H]3CCCC[C@H]3N3CCOCC3)ccc2cc1-c1nn[nH]n1 ZINC000826518414 608233991 /nfs/dbraw/zinc/23/39/91/608233991.db2.gz MWLACLJYUZNDNP-QZTJIDSGSA-N 0 1 379.468 2.470 20 0 GEADMN CC(C)[N@@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289140 608258152 /nfs/dbraw/zinc/25/81/52/608258152.db2.gz VNIIZHMAZVJQAX-UHFFFAOYSA-N 0 1 380.452 2.325 20 0 GEADMN CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825152550 608313330 /nfs/dbraw/zinc/31/33/30/608313330.db2.gz BKNWEZGNKGESAS-SJLPKXTDSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825152550 608313331 /nfs/dbraw/zinc/31/33/31/608313331.db2.gz BKNWEZGNKGESAS-SJLPKXTDSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825152550 608313333 /nfs/dbraw/zinc/31/33/33/608313333.db2.gz BKNWEZGNKGESAS-SJLPKXTDSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825152550 608313335 /nfs/dbraw/zinc/31/33/35/608313335.db2.gz BKNWEZGNKGESAS-SJLPKXTDSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825152550 608313337 /nfs/dbraw/zinc/31/33/37/608313337.db2.gz BKNWEZGNKGESAS-SJLPKXTDSA-N 0 1 381.484 2.486 20 0 GEADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000824046272 608325553 /nfs/dbraw/zinc/32/55/53/608325553.db2.gz RVJDBJLFYQXTRS-BZUAXINKSA-N 0 1 384.484 2.332 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cccc(F)c2F)cc1-c1nn[nH]n1 ZINC000826229420 608385641 /nfs/dbraw/zinc/38/56/41/608385641.db2.gz DGXCZTWXJMRKQN-SSDOTTSWSA-N 0 1 392.391 2.458 20 0 GEADMN Cc1ccc(N(C)C2CCN(Cc3cccc(-c4nn[nH]n4)c3F)CC2)nn1 ZINC000826289913 608392180 /nfs/dbraw/zinc/39/21/80/608392180.db2.gz RKRJPYHTOQLTII-UHFFFAOYSA-N 0 1 382.447 2.205 20 0 GEADMN Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3cccc(-c4nn[n-]n4)c3F)C2)nn1 ZINC000826289454 608392392 /nfs/dbraw/zinc/39/23/92/608392392.db2.gz ATSOLSBFIGTHFY-HNNXBMFYSA-N 0 1 382.447 2.205 20 0 GEADMN Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3cccc(-c4nn[n-]n4)c3F)C2)nn1 ZINC000826289454 608392395 /nfs/dbraw/zinc/39/23/95/608392395.db2.gz ATSOLSBFIGTHFY-HNNXBMFYSA-N 0 1 382.447 2.205 20 0 GEADMN C[NH+](C)C1CCN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2F)CC1 ZINC000825856342 608412206 /nfs/dbraw/zinc/41/22/06/608412206.db2.gz UDBMUHWCTLHKLF-UHFFFAOYSA-N 0 1 383.435 2.070 20 0 GEADMN C[NH+](C)C1CCN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2F)CC1 ZINC000825856342 608412208 /nfs/dbraw/zinc/41/22/08/608412208.db2.gz UDBMUHWCTLHKLF-UHFFFAOYSA-N 0 1 383.435 2.070 20 0 GEADMN CC[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1OCC(=O)NC ZINC000825140805 608457841 /nfs/dbraw/zinc/45/78/41/608457841.db2.gz LNOLBPJLLYUOPE-QGZVFWFLSA-N 0 1 398.442 2.372 20 0 GEADMN COc1ccc(F)cc1[C@@H](C)NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826208902 608459891 /nfs/dbraw/zinc/45/98/91/608459891.db2.gz FKMJEDDCUNBBRC-DOMZBBRYSA-N 0 1 387.415 2.105 20 0 GEADMN C[C@H](NCC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564807 608460935 /nfs/dbraw/zinc/46/09/35/608460935.db2.gz WAJHTCAUGOTYEL-RVKKMQEKSA-N 0 1 386.500 2.229 20 0 GEADMN CC(C)Cc1nnc(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000824280090 608463564 /nfs/dbraw/zinc/46/35/64/608463564.db2.gz CLNFARWHBSLRLH-NSHDSACASA-N 0 1 386.485 2.206 20 0 GEADMN COc1ccccc1[C@H](C)NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826218786 608467130 /nfs/dbraw/zinc/46/71/30/608467130.db2.gz KVMXYJRIDOLDSC-KGLIPLIRSA-N 0 1 380.452 2.403 20 0 GEADMN C[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562833 608468608 /nfs/dbraw/zinc/46/86/08/608468608.db2.gz JVJCSMUCUQKQQV-LLVKDONJSA-N 0 1 383.481 2.491 20 0 GEADMN C[C@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562060 608487889 /nfs/dbraw/zinc/48/78/89/608487889.db2.gz CJTVQIQZAQAOHB-JTQLQIEISA-N 0 1 386.485 2.305 20 0 GEADMN CC(C)N(CC(N)=O)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824288986 608499808 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GEADMN CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccnc(-c4nn[n-]n4)c3)ccc2NC1=O ZINC000825219198 608538205 /nfs/dbraw/zinc/53/82/05/608538205.db2.gz HXGCZGSUBUWEHH-MEDUHNTESA-N 0 1 379.424 2.222 20 0 GEADMN COc1cccc(F)c1[C@H](C)NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826217098 608538982 /nfs/dbraw/zinc/53/89/82/608538982.db2.gz YVDKGLMBEGWVMO-JSGCOSHPSA-N 0 1 387.415 2.105 20 0 GEADMN COCCN(Cc1c[nH]nc1-c1cccnc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159128 608567391 /nfs/dbraw/zinc/56/73/91/608567391.db2.gz RTHPLBVPBUCNQW-UHFFFAOYSA-N 0 1 390.451 2.300 20 0 GEADMN O=C1[C@H](N2CCC(c3cccnc3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476313 608585369 /nfs/dbraw/zinc/58/53/69/608585369.db2.gz FHVGCVCJQYKXNM-LJQANCHMSA-N 0 1 389.463 2.247 20 0 GEADMN Cc1nn(C)c(N(C)C)c1CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826334366 608603440 /nfs/dbraw/zinc/60/34/40/608603440.db2.gz RUUPLPAUWGFXHK-UHFFFAOYSA-N 0 1 396.499 2.018 20 0 GEADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000826372095 608640950 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/nfs/dbraw/zinc/94/94/91/532949491.db2.gz WXJPENFOIMNWHN-LBPRGKRZSA-N 0 1 378.336 2.038 20 0 GEADMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1nc[nH]n1 ZINC000006498471 220937639 /nfs/dbraw/zinc/93/76/39/220937639.db2.gz QVZPKXCYGGLMQN-UHFFFAOYSA-N 0 1 375.385 2.305 20 0 GEADMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000016827731 221372021 /nfs/dbraw/zinc/37/20/21/221372021.db2.gz DEANJKWNDNJFCH-ONGXEEELSA-N 0 1 387.914 2.342 20 0 GEADMN Cc1nn(C)c2ncc(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)cc12 ZINC000063722258 222067672 /nfs/dbraw/zinc/06/76/72/222067672.db2.gz DPBGWYSUOKYTQW-UHFFFAOYSA-N 0 1 377.401 2.040 20 0 GEADMN CC[N@@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000186754241 570322408 /nfs/dbraw/zinc/32/24/08/570322408.db2.gz LJSAKXCHAMSIFQ-UHFFFAOYSA-N 0 1 394.415 2.265 20 0 GEADMN O=C(c1ccc2[nH]nnc2c1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000275529474 570695098 /nfs/dbraw/zinc/69/50/98/570695098.db2.gz FQYCHJACWQVOOX-HNNXBMFYSA-N 0 1 378.436 2.247 20 0 GEADMN CC[C@H]1c2ccccc2CCN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736406430 598916513 /nfs/dbraw/zinc/91/65/13/598916513.db2.gz LLIUQDWJRGWTTC-IBGZPJMESA-N 0 1 376.464 2.492 20 0 GEADMN O=C([C@@H]1Cc2ccccc21)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737793034 598931541 /nfs/dbraw/zinc/93/15/41/598931541.db2.gz UCTGTJDDQNMRHI-HXUWFJFHSA-N 0 1 388.475 2.241 20 0 GEADMN Cn1c(Sc2c3ccccc3nnc2-c2nn[nH]n2)nnc1-c1ccco1 ZINC000737591440 598955775 /nfs/dbraw/zinc/95/57/75/598955775.db2.gz FECJVLJVYAQWGX-UHFFFAOYSA-N 0 1 377.393 2.350 20 0 GEADMN COc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000737074538 598959578 /nfs/dbraw/zinc/95/95/78/598959578.db2.gz XICVXFJXTPIDJH-SJKOYZFVSA-N 0 1 396.426 2.471 20 0 GEADMN COc1ccccc1[C@@H](C)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737143149 598959626 /nfs/dbraw/zinc/95/96/26/598959626.db2.gz SQBFSFJKYLGSOC-CXAGYDPISA-N 0 1 378.436 2.331 20 0 GEADMN COc1ccccc1[C@H](C)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737143153 598960131 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O=C([O-])[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000035299212 597435848 /nfs/dbraw/zinc/43/58/48/597435848.db2.gz UTYDROZBBWLWFH-ZDUSSCGKSA-N 0 1 376.272 2.162 20 0 GEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000035299212 597435851 /nfs/dbraw/zinc/43/58/51/597435851.db2.gz UTYDROZBBWLWFH-ZDUSSCGKSA-N 0 1 376.272 2.162 20 0 GEADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@H](C(C)C)N1CCOCC1 ZINC000737262487 599265465 /nfs/dbraw/zinc/26/54/65/599265465.db2.gz HGRZDSZXDMCQAK-QGZVFWFLSA-N 0 1 399.474 2.053 20 0 GEADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000736198433 599291887 /nfs/dbraw/zinc/29/18/87/599291887.db2.gz ILHKFLHBYQDWMJ-SWLSCSKDSA-N 0 1 382.472 2.417 20 0 GEADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000736198433 599291889 /nfs/dbraw/zinc/29/18/89/599291889.db2.gz ILHKFLHBYQDWMJ-SWLSCSKDSA-N 0 1 382.472 2.417 20 0 GEADMN CN(C(=O)c1ccco1)c1ccccc1C(=O)OC[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000820524417 598062655 /nfs/dbraw/zinc/06/26/55/598062655.db2.gz XKRCQEUPQFWSLX-AWEZNQCLSA-N 0 1 386.404 2.262 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000821426419 598178945 /nfs/dbraw/zinc/17/89/45/598178945.db2.gz UCKIVEZLCZLYIX-UHFFFAOYSA-N 0 1 383.452 2.114 20 0 GEADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000820095994 598191601 /nfs/dbraw/zinc/19/16/01/598191601.db2.gz YIZWUDDXLGTJTF-CYBMUJFWSA-N 0 1 387.411 2.099 20 0 GEADMN CCC(CC)N(CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000736345170 598232753 /nfs/dbraw/zinc/23/27/53/598232753.db2.gz FRVMDUPBFDMKEZ-FQEVSTJZSA-N 0 1 397.483 2.244 20 0 GEADMN C[C@@H]1CCC[C@H](N(C)CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247498 598232846 /nfs/dbraw/zinc/23/28/46/598232846.db2.gz FEXHQWUJHGIVNR-PSGMQZRDSA-N 0 1 397.483 2.102 20 0 GEADMN CCC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccccn1 ZINC000736431776 598260609 /nfs/dbraw/zinc/26/06/09/598260609.db2.gz TYGSVBWXMCPXCX-ZDUSSCGKSA-N 0 1 385.453 2.355 20 0 GEADMN FC(F)(F)c1ccc(N2CC[C@@H](CN3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000822723228 607346738 /nfs/dbraw/zinc/34/67/38/607346738.db2.gz AOBXDQPQWGWSQE-LBPRGKRZSA-N 0 1 382.390 2.044 20 0 GEADMN O=C(N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1(C(F)(F)F)CC1 ZINC000737993024 598297576 /nfs/dbraw/zinc/29/75/76/598297576.db2.gz NWUBSCIXSLYYTL-UHFFFAOYSA-N 0 1 394.401 2.244 20 0 GEADMN CC(C)CCN(CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C1CC1 ZINC000735811744 598333579 /nfs/dbraw/zinc/33/35/79/598333579.db2.gz SRDGDTJCRIJCMX-UHFFFAOYSA-N 0 1 397.483 2.099 20 0 GEADMN CC(C)n1ccnc1CN1CCCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735966579 598365566 /nfs/dbraw/zinc/36/55/66/598365566.db2.gz URARLZFEJQTSPF-UHFFFAOYSA-N 0 1 398.490 2.491 20 0 GEADMN C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C[C@@H](O)c1ccccc1 ZINC000736284685 598365774 /nfs/dbraw/zinc/36/57/74/598365774.db2.gz CVZVYVPIHHVEDH-MGPUTAFESA-N 0 1 396.470 2.246 20 0 GEADMN CC(C)COc1ccc(CC[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)cc1 ZINC000735844500 598389104 /nfs/dbraw/zinc/38/91/04/598389104.db2.gz MJMPCKXJRODGBI-UHFFFAOYSA-N 0 1 392.467 2.277 20 0 GEADMN CC(C)COc1ccc(CC[NH2+]Cc2cnc3c(-c4nn[n-]n4)cnn3c2)cc1 ZINC000735844500 598389106 /nfs/dbraw/zinc/38/91/06/598389106.db2.gz MJMPCKXJRODGBI-UHFFFAOYSA-N 0 1 392.467 2.277 20 0 GEADMN CC(=O)c1csc(C(=O)N(CCN(C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735503492 598394838 /nfs/dbraw/zinc/39/48/38/598394838.db2.gz HZRWETCXTHFBDX-UHFFFAOYSA-N 0 1 398.492 2.335 20 0 GEADMN CC1(C)CN(C2(CNC(=O)c3cccc(-c4nn[nH]n4)c3)CCCCC2)CCO1 ZINC000736213552 598534244 /nfs/dbraw/zinc/53/42/44/598534244.db2.gz KCZVYLKLOSMHKX-UHFFFAOYSA-N 0 1 398.511 2.410 20 0 GEADMN CN1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736859345 598556065 /nfs/dbraw/zinc/55/60/65/598556065.db2.gz FYBIFOVEOYKVEI-GOSISDBHSA-N 0 1 378.436 2.478 20 0 GEADMN CN(CCc1ccccc1F)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736805168 598595057 /nfs/dbraw/zinc/59/50/57/598595057.db2.gz BZIPDSIVGRJZNP-GOSISDBHSA-N 0 1 380.427 2.286 20 0 GEADMN CN(CCC1CCCCC1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736793285 598617229 /nfs/dbraw/zinc/61/72/29/598617229.db2.gz WBWMPZBJVMSWAW-KRWDZBQOSA-N 0 1 382.468 2.401 20 0 GEADMN CN(CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736797394 598621753 /nfs/dbraw/zinc/62/17/53/598621753.db2.gz HOLMKEIYSQTNBH-IBGZPJMESA-N 0 1 392.463 2.373 20 0 GEADMN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000738167236 598630103 /nfs/dbraw/zinc/63/01/03/598630103.db2.gz PZHAJBDHQAVECO-UHFFFAOYSA-N 0 1 396.430 2.187 20 0 GEADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000737987095 598677517 /nfs/dbraw/zinc/67/75/17/598677517.db2.gz QWUHOZYIBYAWHH-UHFFFAOYSA-N 0 1 398.732 2.339 20 0 GEADMN O=C(NC1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738022264 598679355 /nfs/dbraw/zinc/67/93/55/598679355.db2.gz DJSAQAVXCYBECL-UHFFFAOYSA-N 0 1 380.427 2.400 20 0 GEADMN O=C(NC1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccsc1 ZINC000738023315 598683466 /nfs/dbraw/zinc/68/34/66/598683466.db2.gz HRPCNZFTNUVTLZ-UHFFFAOYSA-N 0 1 386.456 2.462 20 0 GEADMN CN1CCC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736858858 598700362 /nfs/dbraw/zinc/70/03/62/598700362.db2.gz VGLJXTOVHPZXRU-INIZCTEOSA-N 0 1 378.436 2.483 20 0 GEADMN Cc1cnc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Br)ccc32)cn1 ZINC000737445928 598723328 /nfs/dbraw/zinc/72/33/28/598723328.db2.gz LTITXFIJQRGTGC-UHFFFAOYSA-N 0 1 398.224 2.091 20 0 GEADMN O=C(C1CCSCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737788980 598793316 /nfs/dbraw/zinc/79/33/16/598793316.db2.gz AUEROPNYQRCCOK-UHFFFAOYSA-N 0 1 386.525 2.044 20 0 GEADMN CC[N@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(C)C ZINC000736536356 598812928 /nfs/dbraw/zinc/81/29/28/598812928.db2.gz JKHFICHAEZHZPC-UHFFFAOYSA-N 0 1 389.529 2.321 20 0 GEADMN CC[N@@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(C)C ZINC000736536356 598812929 /nfs/dbraw/zinc/81/29/29/598812929.db2.gz JKHFICHAEZHZPC-UHFFFAOYSA-N 0 1 389.529 2.321 20 0 GEADMN CC[C@@H](CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C(C)C ZINC000736332787 598816803 /nfs/dbraw/zinc/81/68/03/598816803.db2.gz OHFVSPIYTHXRNL-ZDUSSCGKSA-N 0 1 387.488 2.453 20 0 GEADMN COc1ccccc1C/C(C)=C\C(=O)Nc1nc2n(c1-c1nn[nH]n1)CCS2 ZINC000737152360 599298689 /nfs/dbraw/zinc/29/86/89/599298689.db2.gz KFWFVARPPOIYSO-KHPPLWFESA-N 0 1 397.464 2.305 20 0 GEADMN CCC[C@]1(C)CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026777 599307785 /nfs/dbraw/zinc/30/77/85/599307785.db2.gz BTSJMKWDWVJZIL-OXJNMPFZSA-N 0 1 382.468 2.401 20 0 GEADMN CCC[C@@]1(C)CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026779 599307794 /nfs/dbraw/zinc/30/77/94/599307794.db2.gz BTSJMKWDWVJZIL-UZLBHIALSA-N 0 1 382.468 2.401 20 0 GEADMN CC(C)[C@H](CO)N(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000735710759 599353729 /nfs/dbraw/zinc/35/37/29/599353729.db2.gz OHCOYTMUIHFQNU-IBGZPJMESA-N 0 1 394.479 2.324 20 0 GEADMN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC000736949167 599382015 /nfs/dbraw/zinc/38/20/15/599382015.db2.gz FNJGFJKRUJZDIP-UHFFFAOYSA-N 0 1 393.812 2.108 20 0 GEADMN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736950734 599382674 /nfs/dbraw/zinc/38/26/74/599382674.db2.gz MRJJZAPZXFUSIK-UHFFFAOYSA-N 0 1 393.812 2.108 20 0 GEADMN COc1ccc(CN[C@H]2CCN(c3ccccc3Cl)C2=O)cc1-c1nn[nH]n1 ZINC000821809104 599433735 /nfs/dbraw/zinc/43/37/35/599433735.db2.gz MDXVUGZWOUSRAX-HNNXBMFYSA-N 0 1 398.854 2.424 20 0 GEADMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737876672 599478509 /nfs/dbraw/zinc/47/85/09/599478509.db2.gz SADWKRQQSXQGFB-QGZVFWFLSA-N 0 1 394.454 2.187 20 0 GEADMN CCC(CC)(CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)SC ZINC000820887771 599494570 /nfs/dbraw/zinc/49/45/70/599494570.db2.gz PXPTWRFCPQGYGI-UHFFFAOYSA-N 0 1 382.515 2.341 20 0 GEADMN CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC000821596171 599535428 /nfs/dbraw/zinc/53/54/28/599535428.db2.gz BOPPIMUOVLSCMU-LJQANCHMSA-N 0 1 393.495 2.144 20 0 GEADMN CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC000821596171 599535431 /nfs/dbraw/zinc/53/54/31/599535431.db2.gz BOPPIMUOVLSCMU-LJQANCHMSA-N 0 1 393.495 2.144 20 0 GEADMN Cc1ccc(C[C@H](C)N(C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335177 599590498 /nfs/dbraw/zinc/59/04/98/599590498.db2.gz QTLFTTPWCPUEHF-INIZCTEOSA-N 0 1 378.480 2.354 20 0 GEADMN CCc1nsc(N2CCCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)n1 ZINC000821558594 599596497 /nfs/dbraw/zinc/59/64/97/599596497.db2.gz BNPHXEHYHLOCPK-UHFFFAOYSA-N 0 1 388.476 2.132 20 0 GEADMN CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820971789 599691154 /nfs/dbraw/zinc/69/11/54/599691154.db2.gz GBRCQXCADOPSHA-UONOGXRCSA-N 0 1 380.456 2.111 20 0 GEADMN CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820971789 599691155 /nfs/dbraw/zinc/69/11/55/599691155.db2.gz GBRCQXCADOPSHA-UONOGXRCSA-N 0 1 380.456 2.111 20 0 GEADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C(=O)[O-] ZINC000736874810 599717061 /nfs/dbraw/zinc/71/70/61/599717061.db2.gz DQPHENAPQGZMBP-UGSOOPFHSA-N 0 1 393.459 2.092 20 0 GEADMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736788258 599721541 /nfs/dbraw/zinc/72/15/41/599721541.db2.gz CNNVTUDARWHABR-GFCCVEGCSA-N 0 1 380.420 2.235 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000736791789 599722308 /nfs/dbraw/zinc/72/23/08/599722308.db2.gz DLHKHDWWXCIQRY-VXGBXAGGSA-N 0 1 380.420 2.091 20 0 GEADMN O=C([O-])Cn1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000663144948 599734320 /nfs/dbraw/zinc/73/43/20/599734320.db2.gz QTKWMLZCDYMNAZ-QGZVFWFLSA-N 0 1 396.369 2.361 20 0 GEADMN C[C@H](C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)N1CC[NH+](C)CC1 ZINC000736218868 599740675 /nfs/dbraw/zinc/74/06/75/599740675.db2.gz DOYMDFWNOJHAEP-CYBMUJFWSA-N 0 1 388.493 2.007 20 0 GEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1nnnn1-c1ccccc1Br ZINC000571172531 599770039 /nfs/dbraw/zinc/77/00/39/599770039.db2.gz ZYZMFFNARNZGRK-UHFFFAOYSA-N 0 1 382.262 2.358 20 0 GEADMN O=C([O-])CC[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000739724290 599777593 /nfs/dbraw/zinc/77/75/93/599777593.db2.gz XVZJSRIBSRISML-UHFFFAOYSA-N 0 1 387.436 2.044 20 0 GEADMN O=C([O-])CC[N@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000739724290 599777596 /nfs/dbraw/zinc/77/75/96/599777596.db2.gz XVZJSRIBSRISML-UHFFFAOYSA-N 0 1 387.436 2.044 20 0 GEADMN CC(=O)c1[nH]c(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C(=O)[O-])c1C ZINC000736180803 599788774 /nfs/dbraw/zinc/78/87/74/599788774.db2.gz JAUCGNOHCPRAHR-ZDUSSCGKSA-N 0 1 377.466 2.247 20 0 GEADMN C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000737517385 599792432 /nfs/dbraw/zinc/79/24/32/599792432.db2.gz AAPCGZODPKKOBQ-ZIAGYGMSSA-N 0 1 384.274 2.358 20 0 GEADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000736205045 599796592 /nfs/dbraw/zinc/79/65/92/599796592.db2.gz MIDBNPQEQHLOJT-QGZVFWFLSA-N 0 1 387.524 2.295 20 0 GEADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000736205045 599796597 /nfs/dbraw/zinc/79/65/97/599796597.db2.gz MIDBNPQEQHLOJT-QGZVFWFLSA-N 0 1 387.524 2.295 20 0 GEADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000736205045 599796600 /nfs/dbraw/zinc/79/66/00/599796600.db2.gz MIDBNPQEQHLOJT-QGZVFWFLSA-N 0 1 387.524 2.295 20 0 GEADMN CC[C@H](C)[C@H](NC(=O)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736886046 599796658 /nfs/dbraw/zinc/79/66/58/599796658.db2.gz ORCVAQFPHYSIQN-LPHOPBHVSA-N 0 1 375.513 2.198 20 0 GEADMN O=C([O-])COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000739842532 599809113 /nfs/dbraw/zinc/80/91/13/599809113.db2.gz OXFSVWLOEJGRBB-FQEVSTJZSA-N 0 1 384.432 2.287 20 0 GEADMN O=C([O-])CSCc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000739871325 599822955 /nfs/dbraw/zinc/82/29/55/599822955.db2.gz BDIRJCUXNOUFGM-KRWDZBQOSA-N 0 1 393.509 2.333 20 0 GEADMN O=C([O-])CCc1ccc(NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000739761308 599830324 /nfs/dbraw/zinc/83/03/24/599830324.db2.gz SUJMONGLIHANAS-FQEVSTJZSA-N 0 1 397.475 2.245 20 0 GEADMN CN(C)S(=O)(=O)c1cccc(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000580440537 599865742 /nfs/dbraw/zinc/86/57/42/599865742.db2.gz GJYGHOFGZGPDOE-UHFFFAOYSA-N 0 1 398.431 2.302 20 0 GEADMN CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000736879855 599867323 /nfs/dbraw/zinc/86/73/23/599867323.db2.gz RSOSOZCRIBEJJX-BKTGTZMESA-N 0 1 380.460 2.187 20 0 GEADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000737505099 599885577 /nfs/dbraw/zinc/88/55/77/599885577.db2.gz DROGATUNYZEBCG-QUCCMNQESA-N 0 1 395.459 2.387 20 0 GEADMN O=C([O-])CSCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000739857305 599888097 /nfs/dbraw/zinc/88/80/97/599888097.db2.gz GRZFKDMOLLLIIQ-MRXNPFEDSA-N 0 1 390.427 2.375 20 0 GEADMN NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000739160885 599909036 /nfs/dbraw/zinc/90/90/36/599909036.db2.gz QLWOQCZFVGJFNS-QGZVFWFLSA-N 0 1 382.420 2.479 20 0 GEADMN NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000739160885 599909038 /nfs/dbraw/zinc/90/90/38/599909038.db2.gz QLWOQCZFVGJFNS-QGZVFWFLSA-N 0 1 382.420 2.479 20 0 GEADMN NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000739160884 599909062 /nfs/dbraw/zinc/90/90/62/599909062.db2.gz QLWOQCZFVGJFNS-KRWDZBQOSA-N 0 1 382.420 2.479 20 0 GEADMN NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000739160884 599909064 /nfs/dbraw/zinc/90/90/64/599909064.db2.gz QLWOQCZFVGJFNS-KRWDZBQOSA-N 0 1 382.420 2.479 20 0 GEADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000663145226 599917207 /nfs/dbraw/zinc/91/72/07/599917207.db2.gz PTHCGVLMGHTPTF-OAHLLOKOSA-N 0 1 386.452 2.473 20 0 GEADMN CC(C)[C@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736809280 599921637 /nfs/dbraw/zinc/92/16/37/599921637.db2.gz QTKHVESIPYRRPV-IIDMSEBBSA-N 0 1 378.469 2.014 20 0 GEADMN O=C([O-])c1ccc(OCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000740164673 599951720 /nfs/dbraw/zinc/95/17/20/599951720.db2.gz FJCBRDLITMDEBP-HXUWFJFHSA-N 0 1 398.459 2.078 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1C(=O)[O-] ZINC000738229604 599956553 /nfs/dbraw/zinc/95/65/53/599956553.db2.gz LKCXEJURGOTKHQ-HUUCEWRRSA-N 0 1 385.468 2.292 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1C(=O)[O-] ZINC000738229604 599956555 /nfs/dbraw/zinc/95/65/55/599956555.db2.gz LKCXEJURGOTKHQ-HUUCEWRRSA-N 0 1 385.468 2.292 20 0 GEADMN Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@H](C(=O)[O-])C3)c2c1C ZINC000567113609 599959434 /nfs/dbraw/zinc/95/94/34/599959434.db2.gz GLCLSQOEPMISMG-ZDUSSCGKSA-N 0 1 376.482 2.194 20 0 GEADMN C[C@@H](O)C[N@H+]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000736678935 599959920 /nfs/dbraw/zinc/95/99/20/599959920.db2.gz ZKSJNJLKVPZECC-ZIAGYGMSSA-N 0 1 375.494 2.395 20 0 GEADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000737505072 599973030 /nfs/dbraw/zinc/97/30/30/599973030.db2.gz CKHYQANGYBEAGK-MBOZVWFJSA-N 0 1 398.507 2.280 20 0 GEADMN CCc1nccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283833 599975842 /nfs/dbraw/zinc/97/58/42/599975842.db2.gz AOFOZEUQCJRHAS-CRAIPNDOSA-N 0 1 384.480 2.486 20 0 GEADMN Cc1cc(C)n([C@@H]2CCC[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])C2)n1 ZINC000738371543 599976573 /nfs/dbraw/zinc/97/65/73/599976573.db2.gz ZDMTVZTVOUNFNW-DISPHTKASA-N 0 1 378.498 2.028 20 0 GEADMN Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)no1 ZINC000738852490 599980750 /nfs/dbraw/zinc/98/07/50/599980750.db2.gz XEFGFSOLRGIVKZ-XJKSGUPXSA-N 0 1 386.452 2.036 20 0 GEADMN 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WDDSIMJSYXWSCX-BNOWGMLFSA-N 0 1 377.416 2.298 20 0 GEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000739636082 600088335 /nfs/dbraw/zinc/08/83/35/600088335.db2.gz ANICSLCCNKWERP-GOSISDBHSA-N 0 1 375.469 2.181 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(CCN3CCOCC3)CC2)c(C)c1C(=O)[O-] ZINC000738236116 600091500 /nfs/dbraw/zinc/09/15/00/600091500.db2.gz KIEZCVHTQAFILY-INIZCTEOSA-N 0 1 391.512 2.335 20 0 GEADMN Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738797625 600094304 /nfs/dbraw/zinc/09/43/04/600094304.db2.gz GQLXBGRHQPSONG-FUHWJXTLSA-N 0 1 385.464 2.262 20 0 GEADMN O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCO1 ZINC000666527378 600098182 /nfs/dbraw/zinc/09/81/82/600098182.db2.gz BWPJNEXRVHHPKK-DLBZAZTESA-N 0 1 395.887 2.190 20 0 GEADMN O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCO1 ZINC000666527378 600098185 /nfs/dbraw/zinc/09/81/85/600098185.db2.gz BWPJNEXRVHHPKK-DLBZAZTESA-N 0 1 395.887 2.190 20 0 GEADMN 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2.176 20 0 GEADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000820528190 606433612 /nfs/dbraw/zinc/43/36/12/606433612.db2.gz MLUICEWVPFVPDR-GFCCVEGCSA-N 0 1 384.415 2.473 20 0 GEADMN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000820543166 606434226 /nfs/dbraw/zinc/43/42/26/606434226.db2.gz VNBLMMMLTDTRCP-LBPRGKRZSA-N 0 1 384.415 2.473 20 0 GEADMN OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000823713709 606469169 /nfs/dbraw/zinc/46/91/69/606469169.db2.gz INHWBMXHMFMEDA-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823713709 606469170 /nfs/dbraw/zinc/46/91/70/606469170.db2.gz INHWBMXHMFMEDA-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823713709 606469171 /nfs/dbraw/zinc/46/91/71/606469171.db2.gz INHWBMXHMFMEDA-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823713709 606469172 /nfs/dbraw/zinc/46/91/72/606469172.db2.gz INHWBMXHMFMEDA-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823713709 606469173 /nfs/dbraw/zinc/46/91/73/606469173.db2.gz INHWBMXHMFMEDA-GDBMZVCRSA-N 0 1 399.886 2.210 20 0 GEADMN CC[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)N1CCc2ccccc2C1 ZINC000820909437 606493014 /nfs/dbraw/zinc/49/30/14/606493014.db2.gz WFMQIJOQGKNLFZ-MRXNPFEDSA-N 0 1 382.493 2.495 20 0 GEADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000823093394 606528323 /nfs/dbraw/zinc/52/83/23/606528323.db2.gz WXXQKOJEPHADLP-UHFFFAOYSA-N 0 1 394.454 2.329 20 0 GEADMN CN(Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccc([S@@](C)=O)cc1 ZINC000821611171 606616396 /nfs/dbraw/zinc/61/63/96/606616396.db2.gz ULQSKEDFTDLIGV-HHHXNRCGSA-N 0 1 380.477 2.489 20 0 GEADMN O=C1[C@H](NCc2cc(-c3nn[nH]n3)cs2)CCN1CCCc1ccccc1 ZINC000823512316 606628983 /nfs/dbraw/zinc/62/89/83/606628983.db2.gz MUOUQSPWRMPRNX-QGZVFWFLSA-N 0 1 382.493 2.252 20 0 GEADMN CN(C)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccsc1 ZINC000821580056 606668683 /nfs/dbraw/zinc/66/86/83/606668683.db2.gz XWSCMSHAHMMEJW-CYBMUJFWSA-N 0 1 378.408 2.239 20 0 GEADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820648658 606670013 /nfs/dbraw/zinc/67/00/13/606670013.db2.gz DXOLDHMEGIDFGA-TXEJJXNPSA-N 0 1 378.427 2.243 20 0 GEADMN C[N@H+](CCCOc1ccc(Cl)cc1)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821600219 606700367 /nfs/dbraw/zinc/70/03/67/606700367.db2.gz CGXOTRIONZTMGV-UHFFFAOYSA-N 0 1 390.879 2.159 20 0 GEADMN C[N@@H+](CCCOc1ccc(Cl)cc1)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821600219 606700368 /nfs/dbraw/zinc/70/03/68/606700368.db2.gz CGXOTRIONZTMGV-UHFFFAOYSA-N 0 1 390.879 2.159 20 0 GEADMN C[N@H+](CCCOc1ccc(Cl)cc1)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821600219 606700369 /nfs/dbraw/zinc/70/03/69/606700369.db2.gz CGXOTRIONZTMGV-UHFFFAOYSA-N 0 1 390.879 2.159 20 0 GEADMN C[N@@H+](CCCOc1ccc(Cl)cc1)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821600219 606700370 /nfs/dbraw/zinc/70/03/70/606700370.db2.gz CGXOTRIONZTMGV-UHFFFAOYSA-N 0 1 390.879 2.159 20 0 GEADMN CCC1(CC)CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820957433 606705365 /nfs/dbraw/zinc/70/53/65/606705365.db2.gz PLLREMRCSKKEHI-UHFFFAOYSA-N 0 1 397.483 2.101 20 0 GEADMN CCC1(CC)CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820955740 606705603 /nfs/dbraw/zinc/70/56/03/606705603.db2.gz FPCVXNOTTLNUNO-LJQANCHMSA-N 0 1 397.483 2.103 20 0 GEADMN C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820760636 606748569 /nfs/dbraw/zinc/74/85/69/606748569.db2.gz RITVBOGCHZATFQ-GJZGRUSLSA-N 0 1 391.479 2.148 20 0 GEADMN C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820760636 606748570 /nfs/dbraw/zinc/74/85/70/606748570.db2.gz RITVBOGCHZATFQ-GJZGRUSLSA-N 0 1 391.479 2.148 20 0 GEADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)Cc2cccc(F)c2)c1 ZINC000821588555 606820074 /nfs/dbraw/zinc/82/00/74/606820074.db2.gz YHMIOJLSBOIOMW-UHFFFAOYSA-N 0 1 376.417 2.014 20 0 GEADMN CC(=O)Oc1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000819828162 606821668 /nfs/dbraw/zinc/82/16/68/606821668.db2.gz ZYZWMJBMHUNQTQ-UHFFFAOYSA-N 0 1 392.463 2.110 20 0 GEADMN O=C(Nc1ccsc1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000823375884 606830705 /nfs/dbraw/zinc/83/07/05/606830705.db2.gz NYTONBWUBYNDEV-UHFFFAOYSA-N 0 1 386.441 2.148 20 0 GEADMN Cc1cccc(N2CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000822309133 606844758 /nfs/dbraw/zinc/84/47/58/606844758.db2.gz MTGFUCMADNVVOS-HXUWFJFHSA-N 0 1 378.480 2.339 20 0 GEADMN O[C@H](CN1CCc2c(cnn2-c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681766 606854597 /nfs/dbraw/zinc/85/45/97/606854597.db2.gz KJBQAURAPCVLQT-HXUWFJFHSA-N 0 1 387.447 2.144 20 0 GEADMN Cc1nn(C)c(Cl)c1[C@H]1CCCN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822496377 606861169 /nfs/dbraw/zinc/86/11/69/606861169.db2.gz KYMZRXQNGPYEMF-HUUCEWRRSA-N 0 1 387.875 2.433 20 0 GEADMN CCC[C@@H]1CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821040866 606861506 /nfs/dbraw/zinc/86/15/06/606861506.db2.gz TZKVMMSMECJZBW-OAHLLOKOSA-N 0 1 397.483 2.101 20 0 GEADMN COc1ccc(F)c(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821827704 606865948 /nfs/dbraw/zinc/86/59/48/606865948.db2.gz IYLVGQYYQFVHOO-UHFFFAOYSA-N 0 1 385.327 2.093 20 0 GEADMN O=S(=O)(N[C@H]1CCCc2occc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572801 606885251 /nfs/dbraw/zinc/88/52/51/606885251.db2.gz NBZKOWXHICXDSU-LBPRGKRZSA-N 0 1 381.364 2.094 20 0 GEADMN C[C@@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820634183 606893622 /nfs/dbraw/zinc/89/36/22/606893622.db2.gz FVBUCJKFSHZMIW-PBHICJAKSA-N 0 1 391.403 2.153 20 0 GEADMN CCc1nnc(N2CC[C@@H](CNc3cc(C)ccn3)C2)c(-c2nn[nH]n2)c1CC ZINC000821520876 606926837 /nfs/dbraw/zinc/92/68/37/606926837.db2.gz BJWNGMKJCJCIDL-AWEZNQCLSA-N 0 1 393.499 2.423 20 0 GEADMN COc1cc([C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2)ccc1S(C)(=O)=O ZINC000821707878 606999542 /nfs/dbraw/zinc/99/95/42/606999542.db2.gz GLGXFFKNFWJFFX-GFCCVEGCSA-N 0 1 387.465 2.130 20 0 GEADMN O[C@]12CCCC[C@H]1CN(Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000823697145 607003130 /nfs/dbraw/zinc/00/31/30/607003130.db2.gz JTRYAGDVMIYUCB-PXNSSMCTSA-N 0 1 379.468 2.315 20 0 GEADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000820001516 607050781 /nfs/dbraw/zinc/05/07/81/607050781.db2.gz QNPYWYPZIBDCTL-UHFFFAOYSA-N 0 1 395.398 2.356 20 0 GEADMN CC(C)(C)OC(=O)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000819939551 607057573 /nfs/dbraw/zinc/05/75/73/607057573.db2.gz GDUROJUEVXWESK-UHFFFAOYSA-N 0 1 376.436 2.495 20 0 GEADMN O=C(NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1ccsc1 ZINC000823154835 607061549 /nfs/dbraw/zinc/06/15/49/607061549.db2.gz LDWDAOYNEKFUGI-UHFFFAOYSA-N 0 1 386.456 2.462 20 0 GEADMN C[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C[C@@H](O)c1ccccc1 ZINC000820760743 607063876 /nfs/dbraw/zinc/06/38/76/607063876.db2.gz SRUXPYHPIORNNS-MGPUTAFESA-N 0 1 396.470 2.246 20 0 GEADMN Cc1ccnc(N2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000822373819 607076808 /nfs/dbraw/zinc/07/68/08/607076808.db2.gz DCEYWFUDESRUJS-UHFFFAOYSA-N 0 1 379.468 2.161 20 0 GEADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820958708 607106738 /nfs/dbraw/zinc/10/67/38/607106738.db2.gz XQPIBMFBKMEIKD-DLBZAZTESA-N 0 1 386.500 2.008 20 0 GEADMN COC(=O)CC1(NCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CCCCC1 ZINC000821658709 607120678 /nfs/dbraw/zinc/12/06/78/607120678.db2.gz FZJKYMORRSKAPS-UHFFFAOYSA-N 0 1 397.439 2.272 20 0 GEADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)s1 ZINC000821669251 607122298 /nfs/dbraw/zinc/12/22/98/607122298.db2.gz CGBODUHMQRGFKD-UHFFFAOYSA-N 0 1 399.841 2.169 20 0 GEADMN CCC1(CC)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C[C@@H]1OC ZINC000820957019 607159518 /nfs/dbraw/zinc/15/95/18/607159518.db2.gz MKBXERLVXPXOCJ-NEPJUHHUSA-N 0 1 392.485 2.013 20 0 GEADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1Oc1ccccc1 ZINC000820334812 607212522 /nfs/dbraw/zinc/21/25/22/607212522.db2.gz QPXRZTXTVNEQGC-ZDUSSCGKSA-N 0 1 390.407 2.128 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000823127284 607214511 /nfs/dbraw/zinc/21/45/11/607214511.db2.gz YXLKLBRMPQOCPT-HNNXBMFYSA-N 0 1 386.847 2.159 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000823122498 607214523 /nfs/dbraw/zinc/21/45/23/607214523.db2.gz CXLGYYXEOWMISR-UHFFFAOYSA-N 0 1 386.847 2.083 20 0 GEADMN CN(C)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccc(F)cc1 ZINC000821579805 607233607 /nfs/dbraw/zinc/23/36/07/607233607.db2.gz OFVNZCSECSQBSA-CQSZACIVSA-N 0 1 389.822 2.087 20 0 GEADMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820804590 607238134 /nfs/dbraw/zinc/23/81/34/607238134.db2.gz VMRXCUIGSRKYJK-ZBFHGGJFSA-N 0 1 384.484 2.109 20 0 GEADMN CCN1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000825459027 607835043 /nfs/dbraw/zinc/83/50/43/607835043.db2.gz HDOAKMWVYKTVPY-JTQLQIEISA-N 0 1 383.378 2.443 20 0 GEADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826409823 607858785 /nfs/dbraw/zinc/85/87/85/607858785.db2.gz QKHWNBRTIJRWLL-LJQANCHMSA-N 0 1 392.463 2.078 20 0 GEADMN COc1ccc([C@H](CNc2ccc(-c3nnn[n-]3)nn2)[NH+]2CCCCC2)cc1 ZINC000826189414 607987749 /nfs/dbraw/zinc/98/77/49/607987749.db2.gz VEKDSJDTJAJMJV-KRWDZBQOSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccc([C@H](CNc2ccc(-c3nn[n-]n3)nn2)[NH+]2CCCCC2)cc1 ZINC000826189414 607987750 /nfs/dbraw/zinc/98/77/50/607987750.db2.gz VEKDSJDTJAJMJV-KRWDZBQOSA-N 0 1 380.456 2.304 20 0 GEADMN Cc1ccc(N2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000826290659 607991380 /nfs/dbraw/zinc/99/13/80/607991380.db2.gz UIQSLPKNXGERKJ-FQEVSTJZSA-N 0 1 378.480 2.339 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826073435 608019488 /nfs/dbraw/zinc/01/94/88/608019488.db2.gz RPNFTEDDBNBZIP-QMMMGPOBSA-N 0 1 394.892 2.199 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826073435 608019489 /nfs/dbraw/zinc/01/94/89/608019489.db2.gz RPNFTEDDBNBZIP-QMMMGPOBSA-N 0 1 394.892 2.199 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826077339 608020558 /nfs/dbraw/zinc/02/05/58/608020558.db2.gz DTZIYAQBCMOKPP-LLVKDONJSA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826077339 608020559 /nfs/dbraw/zinc/02/05/59/608020559.db2.gz DTZIYAQBCMOKPP-LLVKDONJSA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1-c1nnn[n-]1 ZINC000826073198 608020737 /nfs/dbraw/zinc/02/07/37/608020737.db2.gz JCKVGNZWRCEUGJ-OAHLLOKOSA-N 0 1 382.472 2.120 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000826073198 608020738 /nfs/dbraw/zinc/02/07/38/608020738.db2.gz JCKVGNZWRCEUGJ-OAHLLOKOSA-N 0 1 382.472 2.120 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)c1-c1nnn[n-]1 ZINC000826077632 608022100 /nfs/dbraw/zinc/02/21/00/608022100.db2.gz OSASPPXQEIAUNK-UHFFFAOYSA-N 0 1 393.455 2.092 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)c1-c1nn[n-]n1 ZINC000826077632 608022101 /nfs/dbraw/zinc/02/21/01/608022101.db2.gz OSASPPXQEIAUNK-UHFFFAOYSA-N 0 1 393.455 2.092 20 0 GEADMN COc1ccc(CNc2ccccc2N2CCN(C)CC2)cc1-c1nn[nH]n1 ZINC000826203802 608112152 /nfs/dbraw/zinc/11/21/52/608112152.db2.gz GTTRTVZTTRITFR-UHFFFAOYSA-N 0 1 379.468 2.239 20 0 GEADMN CCC[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C(C)C ZINC000825225208 608117429 /nfs/dbraw/zinc/11/74/29/608117429.db2.gz OEIVUNTUFXUBND-AWEZNQCLSA-N 0 1 387.488 2.453 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4nnn[n-]4)c3)C[C@H]21 ZINC000824109017 608129593 /nfs/dbraw/zinc/12/95/93/608129593.db2.gz MGXLTKSXOIYMRK-ARFHVFGLSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnc(-c4nnn[n-]4)c3)C[C@H]21 ZINC000824109017 608129594 /nfs/dbraw/zinc/12/95/94/608129594.db2.gz MGXLTKSXOIYMRK-ARFHVFGLSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4nn[n-]n4)c3)C[C@H]21 ZINC000824109017 608129595 /nfs/dbraw/zinc/12/95/95/608129595.db2.gz MGXLTKSXOIYMRK-ARFHVFGLSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnc(-c4nn[n-]n4)c3)C[C@H]21 ZINC000824109017 608129596 /nfs/dbraw/zinc/12/95/96/608129596.db2.gz MGXLTKSXOIYMRK-ARFHVFGLSA-N 0 1 399.499 2.387 20 0 GEADMN C[C@@H]1CCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000824925484 608145328 /nfs/dbraw/zinc/14/53/28/608145328.db2.gz DDPFCGJCIUAPPT-CHWSQXEVSA-N 0 1 397.439 2.200 20 0 GEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824857155 608201123 /nfs/dbraw/zinc/20/11/23/608201123.db2.gz BREWEWCFYSCHHF-UONOGXRCSA-N 0 1 393.451 2.219 20 0 GEADMN Cc1cccc2nc(CNC(=O)[C@@H](C)Oc3ccc(-c4nn[nH]n4)cc3)[nH]c21 ZINC000826304728 608243541 /nfs/dbraw/zinc/24/35/41/608243541.db2.gz WDWSPNDKPJMUQX-GFCCVEGCSA-N 0 1 377.408 2.135 20 0 GEADMN O=C(COc1ccc(-c2nn[nH]n2)cc1)OC[C@H]1CCCN1Cc1ccco1 ZINC000826417068 608248985 /nfs/dbraw/zinc/24/89/85/608248985.db2.gz CICUVQAANCNTQV-OAHLLOKOSA-N 0 1 383.408 2.046 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC000826331945 608310374 /nfs/dbraw/zinc/31/03/74/608310374.db2.gz FBRQNRIQDSOMBI-SFHVURJKSA-N 0 1 392.511 2.421 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826331974 608313038 /nfs/dbraw/zinc/31/30/38/608313038.db2.gz FVTNJGRUCXUGNM-SFHVURJKSA-N 0 1 392.511 2.421 20 0 GEADMN CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825152551 608313318 /nfs/dbraw/zinc/31/33/18/608313318.db2.gz BKNWEZGNKGESAS-WMZOPIPTSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825152551 608313320 /nfs/dbraw/zinc/31/33/20/608313320.db2.gz BKNWEZGNKGESAS-WMZOPIPTSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825152551 608313322 /nfs/dbraw/zinc/31/33/22/608313322.db2.gz BKNWEZGNKGESAS-WMZOPIPTSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825152551 608313324 /nfs/dbraw/zinc/31/33/24/608313324.db2.gz BKNWEZGNKGESAS-WMZOPIPTSA-N 0 1 381.484 2.486 20 0 GEADMN CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825152551 608313325 /nfs/dbraw/zinc/31/33/25/608313325.db2.gz BKNWEZGNKGESAS-WMZOPIPTSA-N 0 1 381.484 2.486 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCN(CCc2cccs2)CC1 ZINC000826169026 608357042 /nfs/dbraw/zinc/35/70/42/608357042.db2.gz GGPOUCMCCSLZHZ-UHFFFAOYSA-N 0 1 384.509 2.297 20 0 GEADMN Cc1cc(C2CCN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)CC2)[nH]n1 ZINC000826265505 608384825 /nfs/dbraw/zinc/38/48/25/608384825.db2.gz BSBDPUJCHNUHPG-UHFFFAOYSA-N 0 1 391.439 2.328 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000826183853 608428616 /nfs/dbraw/zinc/42/86/16/608428616.db2.gz CBVNHYGUGOHCPP-CYBMUJFWSA-N 0 1 376.424 2.307 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000826184287 608429395 /nfs/dbraw/zinc/42/93/95/608429395.db2.gz RITBWQUEZUJHNY-IBGZPJMESA-N 0 1 394.479 2.038 20 0 GEADMN C[C@@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000824571490 608433382 /nfs/dbraw/zinc/43/33/82/608433382.db2.gz QVNZJLKPNLYLKP-YPMHNXCESA-N 0 1 375.379 2.235 20 0 GEADMN C[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564475 608459580 /nfs/dbraw/zinc/45/95/80/608459580.db2.gz UKWLHYQFVLXZLV-CXAGYDPISA-N 0 1 378.436 2.157 20 0 GEADMN CCCCc1nnc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000825296620 608466988 /nfs/dbraw/zinc/46/69/88/608466988.db2.gz QPNLMIRWIXUFEN-LLVKDONJSA-N 0 1 386.485 2.350 20 0 GEADMN CCOc1cccc([C@@H](C)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649520 608471824 /nfs/dbraw/zinc/47/18/24/608471824.db2.gz RAEVFEVHMLEASF-CQSZACIVSA-N 0 1 380.452 2.232 20 0 GEADMN C[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000824562035 608493595 /nfs/dbraw/zinc/49/35/95/608493595.db2.gz BWFWYQNDBVYHSZ-NSHDSACASA-N 0 1 383.481 2.491 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000826184272 608494110 /nfs/dbraw/zinc/49/41/10/608494110.db2.gz QVWSPNDQMOAFOJ-LBPRGKRZSA-N 0 1 378.436 2.245 20 0 GEADMN CCc1nn(C)c(CC)c1CN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000825754989 608514472 /nfs/dbraw/zinc/51/44/72/608514472.db2.gz MMWAJRRARSVNAL-UHFFFAOYSA-N 0 1 380.500 2.047 20 0 GEADMN Cn1nc(C(C)(C)C)cc1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826366053 608530912 /nfs/dbraw/zinc/53/09/12/608530912.db2.gz QKBVYIPBSPOSRX-UHFFFAOYSA-N 0 1 394.483 2.115 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1nc2c(s1)CCCC2 ZINC000826412580 608534207 /nfs/dbraw/zinc/53/42/07/608534207.db2.gz UMEAZARIAPTOOG-UHFFFAOYSA-N 0 1 395.492 2.419 20 0 GEADMN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826282825 608552576 /nfs/dbraw/zinc/55/25/76/608552576.db2.gz CXVPNCNICFKJIG-CYBMUJFWSA-N 0 1 389.456 2.439 20 0 GEADMN O=C1[C@@H](N2CCC(c3cccnc3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476312 608585015 /nfs/dbraw/zinc/58/50/15/608585015.db2.gz FHVGCVCJQYKXNM-IBGZPJMESA-N 0 1 389.463 2.247 20 0 GEADMN O=C(C1CC[NH+](Cc2ccc(-c3nn[n-]n3)o2)CC1)N1CCc2ccccc21 ZINC000826398738 608636825 /nfs/dbraw/zinc/63/68/25/608636825.db2.gz FAWCNYYKFHHPGU-UHFFFAOYSA-N 0 1 378.436 2.261 20 0 GEADMN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000826454336 608658565 /nfs/dbraw/zinc/65/85/65/608658565.db2.gz SGXGNYIXZZGLOT-CYBMUJFWSA-N 0 1 387.444 2.463 20 0 GEADMN CN(C)c1ncc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825884282 608680526 /nfs/dbraw/zinc/68/05/26/608680526.db2.gz XVGHKCPXCQCZMA-UHFFFAOYSA-N 0 1 385.497 2.433 20 0 GEADMN Cc1ncc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826329561 609169979 /nfs/dbraw/zinc/16/99/79/609169979.db2.gz ILNVACZQXADWCP-ACJLOTCBSA-N 0 1 392.467 2.120 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000826244031 609170512 /nfs/dbraw/zinc/17/05/12/609170512.db2.gz FHYHSCOSYKBPTP-UHFFFAOYSA-N 0 1 398.511 2.140 20 0 GEADMN C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824662593 609247138 /nfs/dbraw/zinc/24/71/38/609247138.db2.gz NRCFVOAIMNZHSN-LIRRHRJNSA-N 0 1 391.479 2.490 20 0 GEADMN CCCCN(CC(F)(F)F)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825282158 609297801 /nfs/dbraw/zinc/29/78/01/609297801.db2.gz OVBOGTRTUQPCRF-UHFFFAOYSA-N 0 1 390.391 2.494 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cc(C)ccc2NC(C)=O)cc1-c1nn[nH]n1 ZINC000826229408 609298434 /nfs/dbraw/zinc/29/84/34/609298434.db2.gz CVENZHXUWGTWAH-UHFFFAOYSA-N 0 1 399.436 2.208 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2cc(F)c(F)cc2F)cc1-c1nn[nH]n1 ZINC000826229581 609300061 /nfs/dbraw/zinc/30/00/61/609300061.db2.gz JNHXLSDOODOTHK-UHFFFAOYSA-N 0 1 382.327 2.359 20 0 GEADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1Cn1cccn1 ZINC000823821227 609360137 /nfs/dbraw/zinc/36/01/37/609360137.db2.gz PQEKKQDEFHEWQZ-AWEZNQCLSA-N 0 1 388.273 2.490 20 0 GEADMN O=C1[C@@H](Sc2nc(C3CC3)n[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478029 609409828 /nfs/dbraw/zinc/40/98/28/609409828.db2.gz SBKWUIYWNGUSEV-ZDUSSCGKSA-N 0 1 382.453 2.150 20 0 GEADMN COc1ccccc1CN[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826219576 609411536 /nfs/dbraw/zinc/41/15/36/609411536.db2.gz IJSWXUNPSAITSB-KRWDZBQOSA-N 0 1 378.436 2.161 20 0 GEADMN CC1(C)CC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000824796905 609412432 /nfs/dbraw/zinc/41/24/32/609412432.db2.gz UMGNJLYWGOICPE-CYBMUJFWSA-N 0 1 385.472 2.207 20 0 GEADMN Cc1ccccc1[C@H](CO)NCC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826306446 609428424 /nfs/dbraw/zinc/42/84/24/609428424.db2.gz ZCWCRSXSLRZOMY-INIZCTEOSA-N 0 1 386.843 2.090 20 0 GEADMN Cc1sc(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000826349485 609429143 /nfs/dbraw/zinc/42/91/43/609429143.db2.gz JGUKPAFAUXBMJQ-ZDUSSCGKSA-N 0 1 378.502 2.014 20 0 GEADMN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826315887 609470360 /nfs/dbraw/zinc/47/03/60/609470360.db2.gz XSRYVLPOGCWUSO-UHFFFAOYSA-N 0 1 381.421 2.162 20 0 GEADMN CCc1ncc(CN[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825750033 609599432 /nfs/dbraw/zinc/59/94/32/609599432.db2.gz IWEMJZQZOJZVAW-HNNXBMFYSA-N 0 1 383.481 2.171 20 0 GEADMN O=C1[C@@H](NCc2cnc(C3CC3)s2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476559 609600938 /nfs/dbraw/zinc/60/09/38/609600938.db2.gz KKQLNUWPMSMJPI-INIZCTEOSA-N 0 1 395.492 2.486 20 0 GEADMN O=C(Nc1cccc(-c2nn[nH]n2)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000826456235 609603453 /nfs/dbraw/zinc/60/34/53/609603453.db2.gz VWZJBOSRZJCMTI-UHFFFAOYSA-N 0 1 399.499 2.223 20 0 GEADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc(Br)cn3)[nH]c21 ZINC000446606328 649984740 /nfs/dbraw/zinc/98/47/40/649984740.db2.gz VMMQWESDOBHHPT-UHFFFAOYSA-N 0 1 388.225 2.284 20 0 GEADMN O=S(=O)(Nc1cc(Cl)ccn1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000446724960 649987559 /nfs/dbraw/zinc/98/75/59/649987559.db2.gz DHVCWFJWEDRXOQ-UHFFFAOYSA-N 0 1 387.870 2.076 20 0 GEADMN COC(=O)c1cc(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)c[nH]1 ZINC000447058444 649996217 /nfs/dbraw/zinc/99/62/17/649996217.db2.gz IFNPTEOPBJAHEL-AWEZNQCLSA-N 0 1 392.253 2.459 20 0 GEADMN O=C(NCCc1nc[nH]n1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000531900898 650000494 /nfs/dbraw/zinc/00/04/94/650000494.db2.gz HNCQXAAICJRTAO-UHFFFAOYSA-N 0 1 379.446 2.452 20 0 GEADMN Cc1nn(C)c(CNc2ccc(N3CCN(C)CC3)nc2)c1Br ZINC000447898633 650010651 /nfs/dbraw/zinc/01/06/51/650010651.db2.gz XMYRAATVLMRFTF-UHFFFAOYSA-N 0 1 379.306 2.250 20 0 GEADMN C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc(Br)c(F)cc1[O-] ZINC000448966779 650027315 /nfs/dbraw/zinc/02/73/15/650027315.db2.gz APRCFMVATGBXEJ-JTQLQIEISA-N 0 1 375.238 2.134 20 0 GEADMN Cc1cc(Br)cn2c(CN(C)[C@@H]3CCN4CCO[C@H]3C4)cnc12 ZINC000449367053 650039217 /nfs/dbraw/zinc/03/92/17/650039217.db2.gz YTZJIADTBBCFJI-CVEARBPZSA-N 0 1 379.302 2.310 20 0 GEADMN COC[C@@](C)(O)CCNCc1c(F)ccc(I)c1F 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GEADMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000735747346 599559050 /nfs/dbraw/zinc/55/90/50/599559050.db2.gz CKUCJHWNACMLFJ-SFHVURJKSA-N 0 1 386.500 2.214 20 0 GEADMN CC[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736403802 599580898 /nfs/dbraw/zinc/58/08/98/599580898.db2.gz XGXWGSGEJLWBON-JLTOFOAXSA-N 0 1 397.483 2.103 20 0 GEADMN CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736397373 599604080 /nfs/dbraw/zinc/60/40/80/599604080.db2.gz SKICLFAAZBGPFD-ZDUSSCGKSA-N 0 1 385.453 2.308 20 0 GEADMN Cc1oc(NC(=O)[C@H](C)N(C)CC[C@H]2CCCC[N@@H+]2C)c(-c2nn[n-]n2)c1C ZINC000822542210 599641528 /nfs/dbraw/zinc/64/15/28/599641528.db2.gz VKZHRIOLOPDDCM-DZGCQCFKSA-N 0 1 389.504 2.210 20 0 GEADMN Cc1oc(NC(=O)[C@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c(-c2nn[n-]n2)c1C ZINC000822542210 599641529 /nfs/dbraw/zinc/64/15/29/599641529.db2.gz VKZHRIOLOPDDCM-DZGCQCFKSA-N 0 1 389.504 2.210 20 0 GEADMN C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])C[C@@H]1OCCc2ccccc21 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/nfs/dbraw/zinc/05/85/95/601058595.db2.gz GXQFGHHCZMNKTG-UHFFFAOYSA-N 0 1 393.394 2.032 20 0 GEADMN O=C([O-])Cn1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000833276323 601062497 /nfs/dbraw/zinc/06/24/97/601062497.db2.gz QTNGCMLOOMQCDE-ZDUSSCGKSA-N 0 1 377.470 2.063 20 0 GEADMN Cc1nc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)nn1-c1ccccc1C(C)C ZINC000630221909 601087791 /nfs/dbraw/zinc/08/77/91/601087791.db2.gz DXDCAJUIOFQRHZ-HNNXBMFYSA-N 0 1 399.495 2.320 20 0 GEADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000827374892 601104722 /nfs/dbraw/zinc/10/47/22/601104722.db2.gz NUFSMUFQCLKTID-INIZCTEOSA-N 0 1 383.448 2.282 20 0 GEADMN COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000831128297 601128500 /nfs/dbraw/zinc/12/85/00/601128500.db2.gz GFCMUXZAQLVOBJ-NSHDSACASA-N 0 1 383.832 2.139 20 0 GEADMN CC(C)(C(N)=O)N1CC[NH+](Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000826127453 601154239 /nfs/dbraw/zinc/15/42/39/601154239.db2.gz VHXWKKZQYNGEDL-UHFFFAOYSA-N 0 1 379.457 2.120 20 0 GEADMN Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000832940912 601158681 /nfs/dbraw/zinc/15/86/81/601158681.db2.gz SAJCHZOAYQFNCA-OAHLLOKOSA-N 0 1 375.469 2.403 20 0 GEADMN Cc1ccc(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832940346 601169012 /nfs/dbraw/zinc/16/90/12/601169012.db2.gz XNPKZSPAPWMWRP-SFHVURJKSA-N 0 1 395.459 2.365 20 0 GEADMN C[C@H](CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000827412703 601174254 /nfs/dbraw/zinc/17/42/54/601174254.db2.gz PWPXMMMALXCAHZ-OAHLLOKOSA-N 0 1 383.448 2.350 20 0 GEADMN C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccccc1 ZINC000826054499 601205070 /nfs/dbraw/zinc/20/50/70/601205070.db2.gz NLTWIDPJQWCJEB-FZKQIMNGSA-N 0 1 391.431 2.133 20 0 GEADMN CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829395542 601214570 /nfs/dbraw/zinc/21/45/70/601214570.db2.gz HHTNYSDKQMNSSI-GFCCVEGCSA-N 0 1 390.527 2.388 20 0 GEADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000828159899 601219722 /nfs/dbraw/zinc/21/97/22/601219722.db2.gz CPTWLHSUWWQJHK-AFGDSCLASA-N 0 1 380.510 2.431 20 0 GEADMN COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000832190767 601225053 /nfs/dbraw/zinc/22/50/53/601225053.db2.gz VLAZAUWJKZRCOB-LZWOXQAQSA-N 0 1 396.509 2.419 20 0 GEADMN CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000273639997 601225531 /nfs/dbraw/zinc/22/55/31/601225531.db2.gz DVIXGMAZEXGWOC-UHFFFAOYSA-N 0 1 392.477 2.324 20 0 GEADMN COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000299063178 601225596 /nfs/dbraw/zinc/22/55/96/601225596.db2.gz MERGBGMFMLQYLK-ZDUSSCGKSA-N 0 1 384.498 2.182 20 0 GEADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000379615236 601227203 /nfs/dbraw/zinc/22/72/03/601227203.db2.gz JPNAKLFLUFLHHH-HIFRSBDPSA-N 0 1 378.450 2.309 20 0 GEADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000831919064 601241919 /nfs/dbraw/zinc/24/19/19/601241919.db2.gz SKVDYVUFNVZCFM-CQSZACIVSA-N 0 1 380.828 2.314 20 0 GEADMN CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829163628 601254929 /nfs/dbraw/zinc/25/49/29/601254929.db2.gz ZBMSOTKSGJJCKK-GJGKEFFFSA-N 0 1 378.494 2.422 20 0 GEADMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829163628 601254931 /nfs/dbraw/zinc/25/49/31/601254931.db2.gz ZBMSOTKSGJJCKK-GJGKEFFFSA-N 0 1 378.494 2.422 20 0 GEADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000829760697 601267317 /nfs/dbraw/zinc/26/73/17/601267317.db2.gz VQKQOXAQTVMBTC-CVEARBPZSA-N 0 1 375.425 2.262 20 0 GEADMN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000823980633 607498347 /nfs/dbraw/zinc/49/83/47/607498347.db2.gz GFVCYBHSRJQZFN-IBGZPJMESA-N 0 1 383.500 2.265 20 0 GEADMN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000823980633 607498348 /nfs/dbraw/zinc/49/83/48/607498348.db2.gz GFVCYBHSRJQZFN-IBGZPJMESA-N 0 1 383.500 2.265 20 0 GEADMN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000824507902 607498745 /nfs/dbraw/zinc/49/87/45/607498745.db2.gz ZUSLOSYBTVRYRI-CYBMUJFWSA-N 0 1 387.488 2.387 20 0 GEADMN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000824507902 607498747 /nfs/dbraw/zinc/49/87/47/607498747.db2.gz ZUSLOSYBTVRYRI-CYBMUJFWSA-N 0 1 387.488 2.387 20 0 GEADMN CCc1nc(C[NH+]2CCC(CNC(=O)c3ccnc(C(=O)[O-])c3)CC2)cs1 ZINC000830313513 601286559 /nfs/dbraw/zinc/28/65/59/601286559.db2.gz CDYOLUADABVMAG-UHFFFAOYSA-N 0 1 388.493 2.441 20 0 GEADMN CN(C)c1[nH+]cnc2c1cc(C(=O)N1C[C@@H](CC(=O)[O-])c3ccccc31)n2C ZINC000830650935 601289710 /nfs/dbraw/zinc/28/97/10/601289710.db2.gz FODNYBLEFSWGSJ-GFCCVEGCSA-N 0 1 379.420 2.253 20 0 GEADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000833106822 601307818 /nfs/dbraw/zinc/30/78/18/601307818.db2.gz WVGRNZAYUAHBRE-KNQAVFIVSA-N 0 1 399.491 2.172 20 0 GEADMN C[C@H]1CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000828376809 601336508 /nfs/dbraw/zinc/33/65/08/601336508.db2.gz FJLYNNTXFUYDLR-WMLDXEAASA-N 0 1 393.509 2.189 20 0 GEADMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833011550 601370491 /nfs/dbraw/zinc/37/04/91/601370491.db2.gz YABXQXGTGQWBQJ-KRWDZBQOSA-N 0 1 398.463 2.183 20 0 GEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000830369383 601425103 /nfs/dbraw/zinc/42/51/03/601425103.db2.gz OQRWYDPZFVCMDK-CYBMUJFWSA-N 0 1 392.456 2.339 20 0 GEADMN CO[C@@H](C)c1noc(CN2CCC[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)n1 ZINC000831505725 601425124 /nfs/dbraw/zinc/42/51/24/601425124.db2.gz SYVXHXIZDFEVBO-GUYCJALGSA-N 0 1 392.431 2.250 20 0 GEADMN CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C)c(C(=O)[O-])o3)CC2)n1 ZINC000831505469 601425172 /nfs/dbraw/zinc/42/51/72/601425172.db2.gz QBGGAQLBDWVZQL-ZDUSSCGKSA-N 0 1 378.429 2.085 20 0 GEADMN CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C)c(C(=O)[O-])o3)CC2)n1 ZINC000831505469 601425173 /nfs/dbraw/zinc/42/51/73/601425173.db2.gz QBGGAQLBDWVZQL-ZDUSSCGKSA-N 0 1 378.429 2.085 20 0 GEADMN O=C([O-])c1ccc(NC(=O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000833106736 601426559 /nfs/dbraw/zinc/42/65/59/601426559.db2.gz VEGZHZIBLDRDOO-GOSISDBHSA-N 0 1 376.453 2.373 20 0 GEADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000829396559 601472975 /nfs/dbraw/zinc/47/29/75/601472975.db2.gz QPGBLXRJXRVWMD-INIZCTEOSA-N 0 1 375.469 2.023 20 0 GEADMN CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@](F)(C(=O)[O-])C3)c2C1 ZINC000826681931 601481675 /nfs/dbraw/zinc/48/16/75/601481675.db2.gz ULSCHBIYNNHWEQ-RNODOKPDSA-N 0 1 391.443 2.010 20 0 GEADMN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000663149505 601483245 /nfs/dbraw/zinc/48/32/45/601483245.db2.gz YCBNTELMAIBORV-QFIPXVFZSA-N 0 1 393.487 2.015 20 0 GEADMN CC(=O)C(C)(C)CCC(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823962819 607509330 /nfs/dbraw/zinc/50/93/30/607509330.db2.gz PKMIKJKMCJRJMY-UHFFFAOYSA-N 0 1 386.500 2.152 20 0 GEADMN C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000737748005 601488583 /nfs/dbraw/zinc/48/85/83/601488583.db2.gz GCJYQOCJMXJLLW-LLVKDONJSA-N 0 1 379.482 2.253 20 0 GEADMN COC(=O)[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@H]1C ZINC000831113462 601500292 /nfs/dbraw/zinc/50/02/92/601500292.db2.gz IMWYDCPDNDDRTB-PWSUYJOCSA-N 0 1 380.466 2.005 20 0 GEADMN COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@H]1C ZINC000831113462 601500294 /nfs/dbraw/zinc/50/02/94/601500294.db2.gz IMWYDCPDNDDRTB-PWSUYJOCSA-N 0 1 380.466 2.005 20 0 GEADMN C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C[C@@H]1C(=O)[O-] ZINC000828430232 601501269 /nfs/dbraw/zinc/50/12/69/601501269.db2.gz ABSOKTLCOYFHTA-PVAVHDDUSA-N 0 1 388.464 2.164 20 0 GEADMN C[C@H]1C[N@@H+](CC(=O)N2CCN(Cc3cccc4ccccc43)CC2)C[C@H]1C(=O)[O-] ZINC000828432337 601503862 /nfs/dbraw/zinc/50/38/62/601503862.db2.gz MXGQPTHIWDGPJD-LAUBAEHRSA-N 0 1 395.503 2.137 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H]1C(=O)[O-] ZINC000828439154 601509116 /nfs/dbraw/zinc/50/91/16/601509116.db2.gz HIPGZZGPPMSWHA-YUSALJHKSA-N 0 1 392.677 2.495 20 0 GEADMN O=C([O-])CC1(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000833202737 601510778 /nfs/dbraw/zinc/51/07/78/601510778.db2.gz PPTUKLBZCRAXTP-QGZVFWFLSA-N 0 1 380.510 2.215 20 0 GEADMN C[C@@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1C(=O)[O-] ZINC000828440901 601535678 /nfs/dbraw/zinc/53/56/78/601535678.db2.gz NPNGPGSZKKSMSC-ABAIWWIYSA-N 0 1 377.441 2.464 20 0 GEADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1C(=O)[O-] ZINC000828440901 601535679 /nfs/dbraw/zinc/53/56/79/601535679.db2.gz NPNGPGSZKKSMSC-ABAIWWIYSA-N 0 1 377.441 2.464 20 0 GEADMN 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/nfs/dbraw/zinc/60/52/27/602605227.db2.gz BWFDVWHYCUMKHD-KRWDZBQOSA-N 0 1 378.448 2.185 20 0 GEADMN O=C([O-])N1CCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000740413941 602605229 /nfs/dbraw/zinc/60/52/29/602605229.db2.gz BWFDVWHYCUMKHD-KRWDZBQOSA-N 0 1 378.448 2.185 20 0 GEADMN CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2OC)C1 ZINC000739455763 602620802 /nfs/dbraw/zinc/62/08/02/602620802.db2.gz PKKRCJVLURYMHT-GOEBONIOSA-N 0 1 378.473 2.035 20 0 GEADMN CCCN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354928 602622516 /nfs/dbraw/zinc/62/25/16/602622516.db2.gz YUTCGRUAXYTMKS-OAHLLOKOSA-N 0 1 380.514 2.280 20 0 GEADMN CCCN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354928 602622518 /nfs/dbraw/zinc/62/25/18/602622518.db2.gz YUTCGRUAXYTMKS-OAHLLOKOSA-N 0 1 380.514 2.280 20 0 GEADMN CC(C)N(CCCNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000739179255 602632137 /nfs/dbraw/zinc/63/21/37/602632137.db2.gz LVXYMKIFZYKJGU-IXDOHACOSA-N 0 1 384.521 2.048 20 0 GEADMN CC(C)N(CCCNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000739179255 602632140 /nfs/dbraw/zinc/63/21/40/602632140.db2.gz LVXYMKIFZYKJGU-IXDOHACOSA-N 0 1 384.521 2.048 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])C2)nc(C)[nH+]1 ZINC000740080747 602686333 /nfs/dbraw/zinc/68/63/33/602686333.db2.gz ROHBHCOBPJHYPE-ROUUACIJSA-N 0 1 397.479 2.057 20 0 GEADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739683730 602703978 /nfs/dbraw/zinc/70/39/78/602703978.db2.gz FHBGOMCOJLJSMW-OAHLLOKOSA-N 0 1 384.498 2.181 20 0 GEADMN O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000740425792 602714611 /nfs/dbraw/zinc/71/46/11/602714611.db2.gz INUUBASHDMQFCX-MOPGFXCFSA-N 0 1 388.512 2.240 20 0 GEADMN O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000740658294 602734285 /nfs/dbraw/zinc/73/42/85/602734285.db2.gz DTUBBRLUINYBQG-CQSZACIVSA-N 0 1 388.493 2.424 20 0 GEADMN CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3CNC(=O)[O-])cc2F)CC1 ZINC000739459326 602773097 /nfs/dbraw/zinc/77/30/97/602773097.db2.gz LRKCPPHNNKSMGD-DOTOQJQBSA-N 0 1 392.475 2.134 20 0 GEADMN CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738867890 602784811 /nfs/dbraw/zinc/78/48/11/602784811.db2.gz XSGLGFSZELUMTL-QAPCUYQASA-N 0 1 377.485 2.111 20 0 GEADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000739929260 602798137 /nfs/dbraw/zinc/79/81/37/602798137.db2.gz CURWXJJBHVUBKN-FHIRATQRSA-N 0 1 393.484 2.248 20 0 GEADMN CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC(=O)[O-] ZINC000738782507 602799446 /nfs/dbraw/zinc/79/94/46/602799446.db2.gz ASYZQSJCBAMUSC-ROUUACIJSA-N 0 1 376.501 2.490 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](NC(=O)[O-])C(C)C)cc1F ZINC000740235275 602800875 /nfs/dbraw/zinc/80/08/75/602800875.db2.gz DEKNTRPQVDKAQO-OAHLLOKOSA-N 0 1 377.420 2.411 20 0 GEADMN C[C@@H](CNC(=O)CCC(C)(C)NC(=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000738917870 602822107 /nfs/dbraw/zinc/82/21/07/602822107.db2.gz YXSDEZSKTTYIRY-INIZCTEOSA-N 0 1 376.501 2.140 20 0 GEADMN COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC2)cc1 ZINC000739906119 602851897 /nfs/dbraw/zinc/85/18/97/602851897.db2.gz KVKSFNWHDFHTHB-GOSISDBHSA-N 0 1 392.500 2.205 20 0 GEADMN COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000828991202 602857225 /nfs/dbraw/zinc/85/72/25/602857225.db2.gz JYKSZIKDZQUKLR-LLVKDONJSA-N 0 1 385.848 2.279 20 0 GEADMN CN(C[C@H]1CCC[N@H+](CN2C(=O)CN(/C=C/c3ccccc3)C2=O)C1)C(=O)[O-] ZINC000739634765 602861068 /nfs/dbraw/zinc/86/10/68/602861068.db2.gz ASLOHDFTIYDXQL-QXLXQBSBSA-N 0 1 386.452 2.201 20 0 GEADMN CN(C[C@H]1CCC[N@@H+](CN2C(=O)CN(/C=C/c3ccccc3)C2=O)C1)C(=O)[O-] ZINC000739634765 602861070 /nfs/dbraw/zinc/86/10/70/602861070.db2.gz ASLOHDFTIYDXQL-QXLXQBSBSA-N 0 1 386.452 2.201 20 0 GEADMN CC[N@@H+]1CCc2nc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3OC)sc2C1 ZINC000739464124 602887127 /nfs/dbraw/zinc/88/71/27/602887127.db2.gz YPUIAVQVSCUGMX-HNNXBMFYSA-N 0 1 390.465 2.477 20 0 GEADMN CC[N@H+]1CCc2nc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3OC)sc2C1 ZINC000739464124 602887128 /nfs/dbraw/zinc/88/71/28/602887128.db2.gz YPUIAVQVSCUGMX-HNNXBMFYSA-N 0 1 390.465 2.477 20 0 GEADMN COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000739975991 602888142 /nfs/dbraw/zinc/88/81/42/602888142.db2.gz KFPURSJUPSXMKI-JKIFEVAISA-N 0 1 393.484 2.008 20 0 GEADMN COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000739975991 602888145 /nfs/dbraw/zinc/88/81/45/602888145.db2.gz KFPURSJUPSXMKI-JKIFEVAISA-N 0 1 393.484 2.008 20 0 GEADMN COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000739972964 602888198 /nfs/dbraw/zinc/88/81/98/602888198.db2.gz DUIOBGYXKAAXBH-QFBILLFUSA-N 0 1 383.448 2.395 20 0 GEADMN COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000739975985 602888432 /nfs/dbraw/zinc/88/84/32/602888432.db2.gz KFPURSJUPSXMKI-CPUCHLNUSA-N 0 1 393.484 2.008 20 0 GEADMN C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739143272 602947597 /nfs/dbraw/zinc/94/75/97/602947597.db2.gz BMIUEDGNHXSZJM-IYBDPMFKSA-N 0 1 390.484 2.166 20 0 GEADMN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000829182089 602974012 /nfs/dbraw/zinc/97/40/12/602974012.db2.gz HOPYYUNIEGNZSS-NSHDSACASA-N 0 1 385.848 2.137 20 0 GEADMN CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)C[C@H]1C ZINC000739486003 602997075 /nfs/dbraw/zinc/99/70/75/602997075.db2.gz CQVQBSZPHDGEFW-CYBMUJFWSA-N 0 1 380.445 2.360 20 0 GEADMN CCOCC[N@H+]1CCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)C[C@H]1C ZINC000739486003 602997078 /nfs/dbraw/zinc/99/70/78/602997078.db2.gz CQVQBSZPHDGEFW-CYBMUJFWSA-N 0 1 380.445 2.360 20 0 GEADMN O=C([O-])N[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000740533026 603026040 /nfs/dbraw/zinc/02/60/40/603026040.db2.gz BFVODLRVZRBHQM-OALUTQOASA-N 0 1 382.464 2.419 20 0 GEADMN C[C@H](c1ccc(NC(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739057155 603030921 /nfs/dbraw/zinc/03/09/21/603030921.db2.gz LQAOTBNAEIGWBR-CABCVRRESA-N 0 1 376.457 2.201 20 0 GEADMN C[NH+]1CCC(CNC(=O)[C@@H](NC(=O)[O-])c2ccccc2)(N2CCCCC2)CC1 ZINC000739732889 603041226 /nfs/dbraw/zinc/04/12/26/603041226.db2.gz QEARVWBOZRWQSE-SFHVURJKSA-N 0 1 388.512 2.062 20 0 GEADMN O=C([O-])N1CC[NH+](CCCNC(=O)N(CCc2cccc(F)c2)C2CC2)CC1 ZINC000740527216 603042932 /nfs/dbraw/zinc/04/29/32/603042932.db2.gz PEKHMRONYMYVSM-UHFFFAOYSA-N 0 1 392.475 2.228 20 0 GEADMN Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])CC2)oc1C ZINC000740222405 603049244 /nfs/dbraw/zinc/04/92/44/603049244.db2.gz DLGYETPRWRHUFU-HZPDHXFCSA-N 0 1 378.473 2.056 20 0 GEADMN CC(C)N(CCC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000738961934 603062998 /nfs/dbraw/zinc/06/29/98/603062998.db2.gz TWPUADPNKGAGCT-SJLPKXTDSA-N 0 1 377.485 2.171 20 0 GEADMN CC(C)N(CCC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000738961934 603063003 /nfs/dbraw/zinc/06/30/03/603063003.db2.gz TWPUADPNKGAGCT-SJLPKXTDSA-N 0 1 377.485 2.171 20 0 GEADMN CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)[O-])C3)C2)o1 ZINC000739551039 603079188 /nfs/dbraw/zinc/07/91/88/603079188.db2.gz VVXZMYJOQMZDPB-HZPDHXFCSA-N 0 1 378.473 2.050 20 0 GEADMN O=C([O-])NC1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000740557560 603097559 /nfs/dbraw/zinc/09/75/59/603097559.db2.gz YQZOIXALUZBFPR-LMDPOFIKSA-N 0 1 388.512 2.429 20 0 GEADMN CCOCCC[N@H+]1CC[C@H](NC(=O)NC2CCC(NC(=O)[O-])CC2)[C@@H](C)C1 ZINC000739490974 603100875 /nfs/dbraw/zinc/10/08/75/603100875.db2.gz CANZTYBVIUCOAA-OTBWCIGPSA-N 0 1 384.521 2.001 20 0 GEADMN COc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826196467 607608266 /nfs/dbraw/zinc/60/82/66/607608266.db2.gz CYUJUUNNAFBERX-GOSISDBHSA-N 0 1 392.463 2.156 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)cn1 ZINC000740236065 603136240 /nfs/dbraw/zinc/13/62/40/603136240.db2.gz IZFDVAIDMWGMFX-UHFFFAOYSA-N 0 1 377.404 2.319 20 0 GEADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000738822937 603141119 /nfs/dbraw/zinc/14/11/19/603141119.db2.gz CYWHOKLPFPUNCN-INIZCTEOSA-N 0 1 378.473 2.275 20 0 GEADMN COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1NC(=O)[O-] ZINC000739922110 603196618 /nfs/dbraw/zinc/19/66/18/603196618.db2.gz LHPLOUQOCXPLKA-UHFFFAOYSA-N 0 1 393.488 2.275 20 0 GEADMN COc1ccc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1NC(=O)[O-] ZINC000739922110 603196620 /nfs/dbraw/zinc/19/66/20/603196620.db2.gz LHPLOUQOCXPLKA-UHFFFAOYSA-N 0 1 393.488 2.275 20 0 GEADMN C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000739125749 603269276 /nfs/dbraw/zinc/26/92/76/603269276.db2.gz TXMAHYWTZZRDBO-YSHGAJCASA-N 0 1 389.496 2.079 20 0 GEADMN C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000739125749 603269278 /nfs/dbraw/zinc/26/92/78/603269278.db2.gz TXMAHYWTZZRDBO-YSHGAJCASA-N 0 1 389.496 2.079 20 0 GEADMN CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739687451 603271280 /nfs/dbraw/zinc/27/12/80/603271280.db2.gz LVQHWGGYFUCMIJ-ZWKOTPCHSA-N 0 1 388.512 2.093 20 0 GEADMN CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739278702 603297164 /nfs/dbraw/zinc/29/71/64/603297164.db2.gz LTSOLMOMTKUMFL-GOSISDBHSA-N 0 1 385.468 2.139 20 0 GEADMN CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739278702 603297167 /nfs/dbraw/zinc/29/71/67/603297167.db2.gz LTSOLMOMTKUMFL-GOSISDBHSA-N 0 1 385.468 2.139 20 0 GEADMN O=C([O-])N1CCc2cc(NC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)ccc21 ZINC000831666584 603301794 /nfs/dbraw/zinc/30/17/94/603301794.db2.gz ZNFNNLKICGZNDD-INIZCTEOSA-N 0 1 376.457 2.086 20 0 GEADMN C[C@H](CNC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])CN1CC[NH+](C)CC1 ZINC000824939342 603311910 /nfs/dbraw/zinc/31/19/10/603311910.db2.gz LAADLHGCSZGWTI-OAHLLOKOSA-N 0 1 389.500 2.122 20 0 GEADMN O=C([O-])N1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000740400649 603314590 /nfs/dbraw/zinc/31/45/90/603314590.db2.gz QVESZDCAMFEQKE-HIFRSBDPSA-N 0 1 385.386 2.396 20 0 GEADMN CCN(Cc1ccccc1NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)C(=O)[O-] ZINC000739446110 603354945 /nfs/dbraw/zinc/35/49/45/603354945.db2.gz IVPVSGPSECYCRQ-HNNXBMFYSA-N 0 1 378.473 2.371 20 0 GEADMN CCN(Cc1ccccc1NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)C(=O)[O-] ZINC000739446110 603354947 /nfs/dbraw/zinc/35/49/47/603354947.db2.gz IVPVSGPSECYCRQ-HNNXBMFYSA-N 0 1 378.473 2.371 20 0 GEADMN C[C@H](CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)NC(=O)[O-] ZINC000738902490 603362879 /nfs/dbraw/zinc/36/28/79/603362879.db2.gz TXUBGRFKLKYBIS-OAHLLOKOSA-N 0 1 384.521 2.146 20 0 GEADMN CC(C)[C@H](CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000825427776 603363724 /nfs/dbraw/zinc/36/37/24/603363724.db2.gz ZAYLEFOJNGSMRQ-QAPCUYQASA-N 0 1 391.516 2.409 20 0 GEADMN CC[C@H]1CN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC[N@H+]1CCOC ZINC000739282317 603364788 /nfs/dbraw/zinc/36/47/88/603364788.db2.gz ZRTDSSKYXAZRCA-KRWDZBQOSA-N 0 1 378.473 2.371 20 0 GEADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCCCN2CC[NH+](C)CC2)cc1 ZINC000825434491 603372273 /nfs/dbraw/zinc/37/22/73/603372273.db2.gz UIWMFLBGKDMBEC-HNNXBMFYSA-N 0 1 377.489 2.164 20 0 GEADMN C[C@@H]1C[N@H+](Cn2c(=O)oc3cc(Br)ccc32)CC[C@H]1NC(=O)[O-] ZINC000739190097 603395484 /nfs/dbraw/zinc/39/54/84/603395484.db2.gz NUHNEDRKEBKQPK-MWLCHTKSSA-N 0 1 384.230 2.293 20 0 GEADMN C[C@@H]1C[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)CC[C@H]1NC(=O)[O-] ZINC000739190097 603395487 /nfs/dbraw/zinc/39/54/87/603395487.db2.gz NUHNEDRKEBKQPK-MWLCHTKSSA-N 0 1 384.230 2.293 20 0 GEADMN C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(CNC(=O)[O-])o3)c2)CCO1 ZINC000826067021 603406700 /nfs/dbraw/zinc/40/67/00/603406700.db2.gz IOLRRCHAYYAQMM-AWEZNQCLSA-N 0 1 387.436 2.198 20 0 GEADMN C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(CNC(=O)[O-])o3)c2)CCO1 ZINC000826067021 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Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000822535337 606819016 /nfs/dbraw/zinc/81/90/16/606819016.db2.gz NRANVDXAYKRPHQ-TZMCWYRMSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000822535337 606819017 /nfs/dbraw/zinc/81/90/17/606819017.db2.gz NRANVDXAYKRPHQ-TZMCWYRMSA-N 0 1 383.456 2.017 20 0 GEADMN Cc1cc(F)cc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)c1 ZINC000822203114 606821040 /nfs/dbraw/zinc/82/10/40/606821040.db2.gz FIISTPMUCZFKKC-UHFFFAOYSA-N 0 1 376.417 2.181 20 0 GEADMN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2c[nH]nn2)c1-c1nn[nH]n1 ZINC000822016348 606874818 /nfs/dbraw/zinc/87/48/18/606874818.db2.gz YCMRTPRGSMMRCR-UHFFFAOYSA-N 0 1 387.473 2.249 20 0 GEADMN C[C@H](Cc1ccsc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820308115 606886154 /nfs/dbraw/zinc/88/61/54/606886154.db2.gz RHIPRHGBFAGTQC-MRVPVSSYSA-N 0 1 385.421 2.116 20 0 GEADMN CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821949925 606892222 /nfs/dbraw/zinc/89/22/22/606892222.db2.gz JWHGZASNBIZRHR-NXEZZACHSA-N 0 1 389.453 2.097 20 0 GEADMN C[C@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820634187 606893589 /nfs/dbraw/zinc/89/35/89/606893589.db2.gz FVBUCJKFSHZMIW-RHSMWYFYSA-N 0 1 391.403 2.153 20 0 GEADMN CCS[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821453426 606894447 /nfs/dbraw/zinc/89/44/47/606894447.db2.gz AEQTYJJLECPPQM-RYUDHWBXSA-N 0 1 389.453 2.097 20 0 GEADMN CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821453427 606894581 /nfs/dbraw/zinc/89/45/81/606894581.db2.gz AEQTYJJLECPPQM-VXGBXAGGSA-N 0 1 389.453 2.097 20 0 GEADMN O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1)OCC1CC1 ZINC000823061133 606944013 /nfs/dbraw/zinc/94/40/13/606944013.db2.gz XIRPILFHWBZKFC-UHFFFAOYSA-N 0 1 375.332 2.031 20 0 GEADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000822223772 606981078 /nfs/dbraw/zinc/98/10/78/606981078.db2.gz JTWTWNOXOURSOO-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1-c1nn[nH]n1 ZINC000821979794 607020559 /nfs/dbraw/zinc/02/05/59/607020559.db2.gz XLZMTQNCNDJGPA-LBPRGKRZSA-N 0 1 392.485 2.014 20 0 GEADMN CC(C)C[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820067320 607023018 /nfs/dbraw/zinc/02/30/18/607023018.db2.gz ICNIHYOLGSUCIV-PBHICJAKSA-N 0 1 382.468 2.257 20 0 GEADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000820001638 607031846 /nfs/dbraw/zinc/03/18/46/607031846.db2.gz WGTJZQBGQOEGRP-UHFFFAOYSA-N 0 1 390.407 2.244 20 0 GEADMN CCC1(CC)[C@H](N(C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1OC ZINC000820958711 607106667 /nfs/dbraw/zinc/10/66/67/607106667.db2.gz XQPIBMFBKMEIKD-SJORKVTESA-N 0 1 386.500 2.008 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccn(CCC(C)C)n2)cc1-c1nn[nH]n1 ZINC000821976519 607159901 /nfs/dbraw/zinc/15/99/01/607159901.db2.gz BJEJJIDMHXZQDS-UHFFFAOYSA-N 0 1 388.457 2.184 20 0 GEADMN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)C1 ZINC000820697635 607211156 /nfs/dbraw/zinc/21/11/56/607211156.db2.gz JUDWWHSLHMAGCM-BBRMVZONSA-N 0 1 396.455 2.192 20 0 GEADMN CCCCCCOCc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821056620 607211336 /nfs/dbraw/zinc/21/13/36/607211336.db2.gz UPJJMJGDWBBNMN-UHFFFAOYSA-N 0 1 384.444 2.194 20 0 GEADMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)n[nH]1 ZINC000822199866 607213502 /nfs/dbraw/zinc/21/35/02/607213502.db2.gz KOCSWJVGUXPPHK-CYBMUJFWSA-N 0 1 382.472 2.449 20 0 GEADMN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821139361 607220798 /nfs/dbraw/zinc/22/07/98/607220798.db2.gz VLHSTEFFTGPONE-OAHLLOKOSA-N 0 1 398.471 2.151 20 0 GEADMN CCOc1ccc(CN2CCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000821418115 607226171 /nfs/dbraw/zinc/22/61/71/607226171.db2.gz WJGZWPRRDNXLMB-UHFFFAOYSA-N 0 1 379.468 2.291 20 0 GEADMN OC[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1C(F)(F)F ZINC000823707330 607230166 /nfs/dbraw/zinc/23/01/66/607230166.db2.gz ZQUIZVQVKQININ-NSHDSACASA-N 0 1 381.358 2.419 20 0 GEADMN OC[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1C(F)(F)F ZINC000823707330 607230167 /nfs/dbraw/zinc/23/01/67/607230167.db2.gz ZQUIZVQVKQININ-NSHDSACASA-N 0 1 381.358 2.419 20 0 GEADMN c1nnc(-c2ccccc2OCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)[nH]1 ZINC000826519130 607849243 /nfs/dbraw/zinc/84/92/43/607849243.db2.gz LFXPTKTVIGJDNN-UHFFFAOYSA-N 0 1 387.363 2.281 20 0 GEADMN COCCN(Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000826158790 607924309 /nfs/dbraw/zinc/92/43/09/607924309.db2.gz CRSUOELCTRFHIH-UHFFFAOYSA-N 0 1 385.424 2.203 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CC=C(C(F)(F)F)CC2)cc1-c1nn[nH]n1 ZINC000826229973 607962507 /nfs/dbraw/zinc/96/25/07/607962507.db2.gz YWOCUWQQVZIGQH-UHFFFAOYSA-N 0 1 386.359 2.024 20 0 GEADMN O=S(=O)(CCN1CCCC12CCCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484823 607992203 /nfs/dbraw/zinc/99/22/03/607992203.db2.gz QLFMOESMURLQEF-UHFFFAOYSA-N 0 1 375.498 2.439 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1-c1nnn[n-]1 ZINC000826077827 608019958 /nfs/dbraw/zinc/01/99/58/608019958.db2.gz XDFOHJGKEGEENH-DGCLKSJQSA-N 0 1 398.471 2.030 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1-c1nn[n-]n1 ZINC000826077827 608019959 /nfs/dbraw/zinc/01/99/59/608019959.db2.gz XDFOHJGKEGEENH-DGCLKSJQSA-N 0 1 398.471 2.030 20 0 GEADMN CC[C@H](C)Oc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825075284 608020338 /nfs/dbraw/zinc/02/03/38/608020338.db2.gz ODSVTPPNESWQCR-LBPRGKRZSA-N 0 1 398.471 2.171 20 0 GEADMN CC[C@H](C)Oc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825075284 608020339 /nfs/dbraw/zinc/02/03/39/608020339.db2.gz ODSVTPPNESWQCR-LBPRGKRZSA-N 0 1 398.471 2.171 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(SC)ccc2C)c1-c1nnn[n-]1 ZINC000826077153 608021312 /nfs/dbraw/zinc/02/13/12/608021312.db2.gz BLJSMUXUHCRBJC-UHFFFAOYSA-N 0 1 386.485 2.024 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(SC)ccc2C)c1-c1nn[n-]n1 ZINC000826077153 608021313 /nfs/dbraw/zinc/02/13/13/608021313.db2.gz BLJSMUXUHCRBJC-UHFFFAOYSA-N 0 1 386.485 2.024 20 0 GEADMN Cc1cc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c2ccccc2n1 ZINC000826266081 608036321 /nfs/dbraw/zinc/03/63/21/608036321.db2.gz AWKQHQFCOLJLAT-UHFFFAOYSA-N 0 1 377.456 2.093 20 0 GEADMN Cc1cc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c2ccccc2n1 ZINC000826266081 608036322 /nfs/dbraw/zinc/03/63/22/608036322.db2.gz AWKQHQFCOLJLAT-UHFFFAOYSA-N 0 1 377.456 2.093 20 0 GEADMN Cc1cc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c2ccccc2n1 ZINC000826266081 608036323 /nfs/dbraw/zinc/03/63/23/608036323.db2.gz AWKQHQFCOLJLAT-UHFFFAOYSA-N 0 1 377.456 2.093 20 0 GEADMN Cc1cc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c2ccccc2n1 ZINC000826266081 608036324 /nfs/dbraw/zinc/03/63/24/608036324.db2.gz AWKQHQFCOLJLAT-UHFFFAOYSA-N 0 1 377.456 2.093 20 0 GEADMN O=C(c1ccc(O)c(Cl)c1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826473458 608084106 /nfs/dbraw/zinc/08/41/06/608084106.db2.gz YYERZMLFIRRFRN-INIZCTEOSA-N 0 1 385.811 2.439 20 0 GEADMN O=S(=O)(Nc1cccc(O)c1)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826492982 608095161 /nfs/dbraw/zinc/09/51/61/608095161.db2.gz NSRSPPWWXVIOTB-UHFFFAOYSA-N 0 1 385.327 2.392 20 0 GEADMN CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000824173032 608140215 /nfs/dbraw/zinc/14/02/15/608140215.db2.gz VRQHPZAKOOQTBQ-UHFFFAOYSA-N 0 1 398.492 2.310 20 0 GEADMN CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000824173032 608140216 /nfs/dbraw/zinc/14/02/16/608140216.db2.gz VRQHPZAKOOQTBQ-UHFFFAOYSA-N 0 1 398.492 2.310 20 0 GEADMN CSc1nc(C2CC2)cc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c1-c1nn[nH]n1 ZINC000826231218 608200912 /nfs/dbraw/zinc/20/09/12/608200912.db2.gz CAFUFHJGOZPLHA-GHMZBOCLSA-N 0 1 387.513 2.026 20 0 GEADMN COC(=O)c1cccc2nc(NC(=O)c3cc[nH]c(=O)c3Br)[nH]c21 ZINC000446224912 649973931 /nfs/dbraw/zinc/97/39/31/649973931.db2.gz HALQEUDCZYNXBF-UHFFFAOYSA-N 0 1 391.181 2.465 20 0 GEADMN Cc1cccc2nc(CNC(=O)[C@H](C)Oc3ccc(-c4nn[nH]n4)cc3)[nH]c21 ZINC000826304729 608243426 /nfs/dbraw/zinc/24/34/26/608243426.db2.gz WDWSPNDKPJMUQX-LBPRGKRZSA-N 0 1 377.408 2.135 20 0 GEADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000824739149 608248655 /nfs/dbraw/zinc/24/86/55/608248655.db2.gz VSCBNFWPXVXIFV-HOCLYGCPSA-N 0 1 397.435 2.435 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000826186937 608292806 /nfs/dbraw/zinc/29/28/06/608292806.db2.gz RFJWVSBWAFVTOV-UHFFFAOYSA-N 0 1 389.437 2.463 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826332592 608313556 /nfs/dbraw/zinc/31/35/56/608313556.db2.gz YSFZQCVUCSVHSA-SFHVURJKSA-N 0 1 392.511 2.421 20 0 GEADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000824046275 608325309 /nfs/dbraw/zinc/32/53/09/608325309.db2.gz RVJDBJLFYQXTRS-PMPSAXMXSA-N 0 1 384.484 2.332 20 0 GEADMN CC(C)c1nnc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)s1 ZINC000824364897 608365111 /nfs/dbraw/zinc/36/51/11/608365111.db2.gz UWSVRPIYPLMMHE-UHFFFAOYSA-N 0 1 387.473 2.034 20 0 GEADMN FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826368553 608418233 /nfs/dbraw/zinc/41/82/33/608418233.db2.gz UOGRRNDWJGGEIU-CYBMUJFWSA-N 0 1 390.373 2.362 20 0 GEADMN FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826368553 608418236 /nfs/dbraw/zinc/41/82/36/608418236.db2.gz UOGRRNDWJGGEIU-CYBMUJFWSA-N 0 1 390.373 2.362 20 0 GEADMN O=C(CN[C@@H](CCO)c1ccccc1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826412100 608432735 /nfs/dbraw/zinc/43/27/35/608432735.db2.gz BIDSDYCIQFPKNZ-HNNXBMFYSA-N 0 1 386.843 2.172 20 0 GEADMN CC[C@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825144355 608455998 /nfs/dbraw/zinc/45/59/98/608455998.db2.gz ZBYZAHXZAPCZKJ-KRWDZBQOSA-N 0 1 380.452 2.232 20 0 GEADMN CC[C@H](NCc1cccc(-c2nn[nH]n2)c1F)c1ccccc1OCC(=O)NC ZINC000825147029 608457822 /nfs/dbraw/zinc/45/78/22/608457822.db2.gz GVNPAKLPBRARDX-INIZCTEOSA-N 0 1 398.442 2.372 20 0 GEADMN C[C@H](NCC(=O)Nc1cccc2nsnc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564129 608466422 /nfs/dbraw/zinc/46/64/22/608466422.db2.gz SAKZJUNAZWHSNP-JTQLQIEISA-N 0 1 380.437 2.161 20 0 GEADMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)n(C(C)(C)C)n1 ZINC000826270301 608467882 /nfs/dbraw/zinc/46/78/82/608467882.db2.gz UGSOUWRIXFIXSH-ZDUSSCGKSA-N 0 1 382.472 2.416 20 0 GEADMN C[C@@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000824530731 608468366 /nfs/dbraw/zinc/46/83/66/608468366.db2.gz MZFNMQNZKZZGOC-GHMZBOCLSA-N 0 1 392.423 2.126 20 0 GEADMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000826209698 608480736 /nfs/dbraw/zinc/48/07/36/608480736.db2.gz MVIZJRLHXXUGQU-LBPRGKRZSA-N 0 1 382.424 2.173 20 0 GEADMN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826211114 608485190 /nfs/dbraw/zinc/48/51/90/608485190.db2.gz PSZBYQJMEURSFD-LBPRGKRZSA-N 0 1 382.424 2.173 20 0 GEADMN COc1ccc(OCCN(C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826211715 608505538 /nfs/dbraw/zinc/50/55/38/608505538.db2.gz QWFSHBBBDYJCJT-UHFFFAOYSA-N 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C[C@@]1(C(=O)OC[C@H]2CCC[N@@H+]2CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000818075897 597455507 /nfs/dbraw/zinc/45/55/07/597455507.db2.gz VBDCJQWAJRXHSQ-DYESRHJHSA-N 0 1 388.464 2.021 20 0 GEADMN C[C@@]1(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000818075897 597455508 /nfs/dbraw/zinc/45/55/08/597455508.db2.gz VBDCJQWAJRXHSQ-DYESRHJHSA-N 0 1 388.464 2.021 20 0 GEADMN CC(C)N1CC[NH+](C2CCN(C(=O)Nc3ccccc3CC(=O)[O-])CC2)CC1 ZINC000820025181 597455988 /nfs/dbraw/zinc/45/59/88/597455988.db2.gz ZCJKIHVCSSJZCN-UHFFFAOYSA-N 0 1 388.512 2.336 20 0 GEADMN COc1ccc(-c2nc(NC(=O)C[N@@H+]3CC[C@H](C(=O)[O-])C3)sc2C)cc1 ZINC000818570744 597536303 /nfs/dbraw/zinc/53/63/03/597536303.db2.gz RFBGCNFVNSJSPQ-ZDUSSCGKSA-N 0 1 375.450 2.472 20 0 GEADMN COc1ccc(-c2nc(NC(=O)C[N@H+]3CC[C@H](C(=O)[O-])C3)sc2C)cc1 ZINC000818570744 597536305 /nfs/dbraw/zinc/53/63/05/597536305.db2.gz RFBGCNFVNSJSPQ-ZDUSSCGKSA-N 0 1 375.450 2.472 20 0 GEADMN C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000820106859 597707240 /nfs/dbraw/zinc/70/72/40/597707240.db2.gz ACGSTYPATZAVHT-TZMCWYRMSA-N 0 1 391.443 2.232 20 0 GEADMN O=C([O-])Cc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000821537930 597713443 /nfs/dbraw/zinc/71/34/43/597713443.db2.gz HHISNNLWWWISSH-SFHVURJKSA-N 0 1 383.448 2.202 20 0 GEADMN O=C(NCc1cnc[nH]1)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738094839 599276120 /nfs/dbraw/zinc/27/61/20/599276120.db2.gz MFEPZASVVZDLDY-UHFFFAOYSA-N 0 1 375.392 2.099 20 0 GEADMN CCn1ncc2c1CCC[C@H]2N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736730896 599288731 /nfs/dbraw/zinc/28/87/31/599288731.db2.gz KEFPBZQVQSDKCY-MLGOLLRUSA-N 0 1 380.456 2.077 20 0 GEADMN CCn1ncc2c1CCC[C@@H]2N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736730897 599288846 /nfs/dbraw/zinc/28/88/46/599288846.db2.gz KEFPBZQVQSDKCY-WBMJQRKESA-N 0 1 380.456 2.077 20 0 GEADMN CCn1ncc2c1CCC[C@@H]2N[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736731658 599289040 /nfs/dbraw/zinc/28/90/40/599289040.db2.gz QGBIYUCJAUJYRQ-LRDDRELGSA-N 0 1 380.456 2.077 20 0 GEADMN C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000820620134 598022870 /nfs/dbraw/zinc/02/28/70/598022870.db2.gz GLUZQZZCLXIVPC-SJORKVTESA-N 0 1 385.395 2.024 20 0 GEADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000736198434 599291629 /nfs/dbraw/zinc/29/16/29/599291629.db2.gz ILHKFLHBYQDWMJ-WFASDCNBSA-N 0 1 382.472 2.417 20 0 GEADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000736198434 599291631 /nfs/dbraw/zinc/29/16/31/599291631.db2.gz ILHKFLHBYQDWMJ-WFASDCNBSA-N 0 1 382.472 2.417 20 0 GEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823380466 607325180 /nfs/dbraw/zinc/32/51/80/607325180.db2.gz YFXPGEGZRLBSKT-NSHDSACASA-N 0 1 392.345 2.216 20 0 GEADMN O=C([O-])c1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000821474750 598178960 /nfs/dbraw/zinc/17/89/60/598178960.db2.gz LSQJWKGUGAIZQW-AEFFLSMTSA-N 0 1 383.448 2.389 20 0 GEADMN Cc1ccc([C@H](CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000737320488 598234080 /nfs/dbraw/zinc/23/40/80/598234080.db2.gz LLBYKFTYQRDRIJ-KRWDZBQOSA-N 0 1 396.451 2.100 20 0 GEADMN C[C@H]1CCC[C@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259705 598257138 /nfs/dbraw/zinc/25/71/38/598257138.db2.gz GDVVGASSFMVTKG-MAUKXSAKSA-N 0 1 383.500 2.273 20 0 GEADMN FC(F)(F)c1ccc(N2CC[C@H](CN3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000822723227 607346754 /nfs/dbraw/zinc/34/67/54/607346754.db2.gz AOBXDQPQWGWSQE-GFCCVEGCSA-N 0 1 382.390 2.044 20 0 GEADMN COc1ccccc1[C@H](CNc1nccnc1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000737143642 598345853 /nfs/dbraw/zinc/34/58/53/598345853.db2.gz YBDPUTOGNLXCCT-HNNXBMFYSA-N 0 1 380.456 2.304 20 0 GEADMN COc1ccccc1[C@H](CNc1nccnc1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000737143642 598345855 /nfs/dbraw/zinc/34/58/55/598345855.db2.gz YBDPUTOGNLXCCT-HNNXBMFYSA-N 0 1 380.456 2.304 20 0 GEADMN C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C[C@@H](O)c1ccccc1 ZINC000736288103 598364551 /nfs/dbraw/zinc/36/45/51/598364551.db2.gz QTYGVBKQGJRHBM-FOIQADDNSA-N 0 1 396.470 2.246 20 0 GEADMN CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735586925 598372165 /nfs/dbraw/zinc/37/21/65/598372165.db2.gz NPZXXVUDHYLAML-HNNXBMFYSA-N 0 1 381.484 2.246 20 0 GEADMN O=C(COc1ccccc1CNCc1cccc(-c2nn[nH]n2)c1)N1CCCC1 ZINC000737928702 598466115 /nfs/dbraw/zinc/46/61/15/598466115.db2.gz BIHAAMZKGRJFFR-UHFFFAOYSA-N 0 1 392.463 2.158 20 0 GEADMN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736250798 598471410 /nfs/dbraw/zinc/47/14/10/598471410.db2.gz MTCQMCXOLQXVGV-TXEJJXNPSA-N 0 1 398.920 2.061 20 0 GEADMN CC(C)CN(CC(C)C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000735827106 598502136 /nfs/dbraw/zinc/50/21/36/598502136.db2.gz FFEODMRRZNMCNK-UHFFFAOYSA-N 0 1 382.468 2.322 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1-c1nn[n-]n1 ZINC000737186044 598555664 /nfs/dbraw/zinc/55/56/64/598555664.db2.gz DSJGEEYZMBASKM-UHFFFAOYSA-N 0 1 399.480 2.046 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(C)s2)cc1-c1nn[nH]n1 ZINC000737185714 598556085 /nfs/dbraw/zinc/55/60/85/598556085.db2.gz BTENJKIXBCBXJH-UHFFFAOYSA-N 0 1 376.467 2.331 20 0 GEADMN CN(C)[C@@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000736757433 598663031 /nfs/dbraw/zinc/66/30/31/598663031.db2.gz AJSUDPORBVAWQX-AWEZNQCLSA-N 0 1 388.522 2.439 20 0 GEADMN CC(C)CN1CCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735835919 598681100 /nfs/dbraw/zinc/68/11/00/598681100.db2.gz RTWGMKPFRWIKJC-UHFFFAOYSA-N 0 1 386.500 2.216 20 0 GEADMN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)Nc1nc(-c2ccco2)n[nH]1 ZINC000737841967 598689183 /nfs/dbraw/zinc/68/91/83/598689183.db2.gz RFOCQDLFZWJPDX-UHFFFAOYSA-N 0 1 394.395 2.433 20 0 GEADMN Cc1ccccc1CN(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000737427348 598719503 /nfs/dbraw/zinc/71/95/03/598719503.db2.gz DBCHNPMDSSLINQ-UHFFFAOYSA-N 0 1 388.431 2.149 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)NC1CCCCC1 ZINC000737983442 598722117 /nfs/dbraw/zinc/72/21/17/598722117.db2.gz VPAIVQZOGPRBOH-UHFFFAOYSA-N 0 1 386.843 2.284 20 0 GEADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NCCC1=CCCCC1 ZINC000737982867 598722193 /nfs/dbraw/zinc/72/21/93/598722193.db2.gz SQDHUZRNIITRJJ-UHFFFAOYSA-N 0 1 378.436 2.188 20 0 GEADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736315309 598764892 /nfs/dbraw/zinc/76/48/92/598764892.db2.gz ROYDFUUCWRVKFR-AWEZNQCLSA-N 0 1 386.500 2.403 20 0 GEADMN CC1(C)CN(CCNc2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000736213584 598771643 /nfs/dbraw/zinc/77/16/43/598771643.db2.gz KPEGFGFLRNKUEB-UHFFFAOYSA-N 0 1 389.410 2.216 20 0 GEADMN O=C(OCC(F)F)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000738221835 598785515 /nfs/dbraw/zinc/78/55/15/598785515.db2.gz ZEZAVBDRNFZIHT-UHFFFAOYSA-N 0 1 394.338 2.139 20 0 GEADMN CN1CCN(c2ncccc2CNc2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736869255 598794101 /nfs/dbraw/zinc/79/41/01/598794101.db2.gz ZUGHOEVYVBKTJX-UHFFFAOYSA-N 0 1 384.875 2.279 20 0 GEADMN CCC[C@]1(C)CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026778 599307939 /nfs/dbraw/zinc/30/79/39/599307939.db2.gz BTSJMKWDWVJZIL-OXQOHEQNSA-N 0 1 382.468 2.401 20 0 GEADMN Cc1csc(C2(NC[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCC2)n1 ZINC000737455207 599355379 /nfs/dbraw/zinc/35/53/79/599355379.db2.gz NYVXQQYIDUGKDI-CQSZACIVSA-N 0 1 386.481 2.040 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](c2ccccn2)C(C)C)cc1-c1nn[nH]n1 ZINC000821970389 599376704 /nfs/dbraw/zinc/37/67/04/599376704.db2.gz NDFBMJVNXZZFJY-CYBMUJFWSA-N 0 1 385.453 2.211 20 0 GEADMN COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C(C)C ZINC000821683875 599381246 /nfs/dbraw/zinc/38/12/46/599381246.db2.gz MKTAEBYYZFDHSW-JQWIXIFHSA-N 0 1 378.502 2.005 20 0 GEADMN Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OCC[NH+]1CCCC1 ZINC000737273630 599391521 /nfs/dbraw/zinc/39/15/21/599391521.db2.gz HKSCLNMLTJMADA-UHFFFAOYSA-N 0 1 393.451 2.297 20 0 GEADMN Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OCC[NH+]1CCCC1 ZINC000737273630 599391523 /nfs/dbraw/zinc/39/15/23/599391523.db2.gz HKSCLNMLTJMADA-UHFFFAOYSA-N 0 1 393.451 2.297 20 0 GEADMN COc1ccc(CNCc2cc3c(cc2OC)C[C@@H](C)O3)cc1-c1nn[nH]n1 ZINC000821728327 599401859 /nfs/dbraw/zinc/40/18/59/599401859.db2.gz UNDQMEDCDRVKNI-GFCCVEGCSA-N 0 1 381.436 2.497 20 0 GEADMN FC(F)Oc1cc2c(cc1CNCc1cccc(-c3nn[nH]n3)c1)OCO2 ZINC000822731945 599402387 /nfs/dbraw/zinc/40/23/87/599402387.db2.gz GBUKJKPXWRHNPO-UHFFFAOYSA-N 0 1 375.335 2.487 20 0 GEADMN COc1ccc(CNCc2cccc(C(=O)NC3CC3)c2)cc1-c1nn[nH]n1 ZINC000821817977 599417650 /nfs/dbraw/zinc/41/76/50/599417650.db2.gz FGZBOUAOWZYAFE-UHFFFAOYSA-N 0 1 378.436 2.057 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000821977706 599445981 /nfs/dbraw/zinc/44/59/81/599445981.db2.gz JGBKODRNQVIGDE-RISCZKNCSA-N 0 1 382.449 2.050 20 0 GEADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736230882 599477168 /nfs/dbraw/zinc/47/71/68/599477168.db2.gz ABZWSONXMGTRAJ-KBXCAEBGSA-N 0 1 394.454 2.500 20 0 GEADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737742924 599478657 /nfs/dbraw/zinc/47/86/57/599478657.db2.gz RNYBGLWBAKKWHK-KSSFIOAISA-N 0 1 380.427 2.097 20 0 GEADMN O=C(CNCc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1cccc2ccccc21 ZINC000737894019 599490793 /nfs/dbraw/zinc/49/07/93/599490793.db2.gz BNPHAWAPHXXTFH-UHFFFAOYSA-N 0 1 398.430 2.396 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N(C)CCc2cccs2)cc1-c1nn[nH]n1 ZINC000821969819 599494942 /nfs/dbraw/zinc/49/49/42/599494942.db2.gz FPJKADDWCUNFLY-UHFFFAOYSA-N 0 1 376.467 2.065 20 0 GEADMN CCOCC[N@@H+]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1CC ZINC000821378875 599533975 /nfs/dbraw/zinc/53/39/75/599533975.db2.gz VSSUFSKAQXHGGF-HNNXBMFYSA-N 0 1 381.484 2.352 20 0 GEADMN CCOCC[N@H+]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1CC ZINC000821378875 599533977 /nfs/dbraw/zinc/53/39/77/599533977.db2.gz VSSUFSKAQXHGGF-HNNXBMFYSA-N 0 1 381.484 2.352 20 0 GEADMN CCOCC[N@@H+]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H]1CC ZINC000821378875 599533980 /nfs/dbraw/zinc/53/39/80/599533980.db2.gz VSSUFSKAQXHGGF-HNNXBMFYSA-N 0 1 381.484 2.352 20 0 GEADMN CCOCC[N@H+]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H]1CC ZINC000821378875 599533985 /nfs/dbraw/zinc/53/39/85/599533985.db2.gz VSSUFSKAQXHGGF-HNNXBMFYSA-N 0 1 381.484 2.352 20 0 GEADMN Oc1ccc2c(c1)CCN(Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000823731938 599638293 /nfs/dbraw/zinc/63/82/93/599638293.db2.gz HNRJRRYFWNKTEZ-UHFFFAOYSA-N 0 1 389.419 2.223 20 0 GEADMN O=C(CN(C[C@@H]1CCCO1)C1CCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000822987195 599640705 /nfs/dbraw/zinc/64/07/05/599640705.db2.gz SLEUWYPWEDKRCV-ZDUSSCGKSA-N 0 1 376.486 2.290 20 0 GEADMN Cc1nc(C(C)(C)NC[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)sc1C ZINC000822422859 599645787 /nfs/dbraw/zinc/64/57/87/599645787.db2.gz DVNLICBSBNRZON-AWEZNQCLSA-N 0 1 388.497 2.205 20 0 GEADMN CC[C@H](C(=O)OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)N(CC)CC ZINC000820848363 599663365 /nfs/dbraw/zinc/66/33/65/599663365.db2.gz VXQISUORFNUZBR-CQSZACIVSA-N 0 1 385.428 2.080 20 0 GEADMN CC[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)N(CC)CC ZINC000820848362 599663499 /nfs/dbraw/zinc/66/34/99/599663499.db2.gz VXQISUORFNUZBR-AWEZNQCLSA-N 0 1 385.428 2.080 20 0 GEADMN Cc1ccc2nc(CNC(=O)NCc3cc(-c4nn[nH]n4)ccc3F)[nH]c2c1 ZINC000822271121 599678897 /nfs/dbraw/zinc/67/88/97/599678897.db2.gz NEIWHHZQSNMMHP-UHFFFAOYSA-N 0 1 380.387 2.190 20 0 GEADMN COC(=O)c1ccc2c(c1)nc(C[N@H+]1[C@@H]3CCCC[C@H]3C[C@H]1C(=O)[O-])[nH]c2=O ZINC000516869987 599712517 /nfs/dbraw/zinc/71/25/17/599712517.db2.gz SXZOMTMLEZQYND-XZJROXQQSA-N 0 1 385.420 2.340 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000738533837 599719095 /nfs/dbraw/zinc/71/90/95/599719095.db2.gz URNMQXDRLQJAON-CQSZACIVSA-N 0 1 391.468 2.478 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000738533837 599719097 /nfs/dbraw/zinc/71/90/97/599719097.db2.gz 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1 380.388 2.118 20 0 GEADMN CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000830935238 600767417 /nfs/dbraw/zinc/76/74/17/600767417.db2.gz SXWOQAYOHACKPQ-LLVKDONJSA-N 0 1 380.388 2.118 20 0 GEADMN Cn1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1C(=O)[O-] ZINC000379609988 600775961 /nfs/dbraw/zinc/77/59/61/600775961.db2.gz OQMVKUGQTXNKKN-MRXNPFEDSA-N 0 1 391.493 2.056 20 0 GEADMN Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C(=O)[O-])cc1 ZINC000738554284 600787480 /nfs/dbraw/zinc/78/74/80/600787480.db2.gz LALJJSDRTWKKSW-VQTJNVASSA-N 0 1 382.460 2.180 20 0 GEADMN Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C(=O)[O-])cc1 ZINC000738554284 600787482 /nfs/dbraw/zinc/78/74/82/600787482.db2.gz LALJJSDRTWKKSW-VQTJNVASSA-N 0 1 382.460 2.180 20 0 GEADMN CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000829161636 600788632 /nfs/dbraw/zinc/78/86/32/600788632.db2.gz OUAQEHDUJADJAH-HOTGVXAUSA-N 0 1 396.509 2.178 20 0 GEADMN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000829161636 600788634 /nfs/dbraw/zinc/78/86/34/600788634.db2.gz OUAQEHDUJADJAH-HOTGVXAUSA-N 0 1 396.509 2.178 20 0 GEADMN O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000739511702 600792865 /nfs/dbraw/zinc/79/28/65/600792865.db2.gz JBHZKFPKTJSRFU-QZTJIDSGSA-N 0 1 382.888 2.279 20 0 GEADMN CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829396386 600793839 /nfs/dbraw/zinc/79/38/39/600793839.db2.gz OFZGUQPMYDJOPH-HIFRSBDPSA-N 0 1 393.509 2.180 20 0 GEADMN CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829396386 600793840 /nfs/dbraw/zinc/79/38/40/600793840.db2.gz OFZGUQPMYDJOPH-HIFRSBDPSA-N 0 1 393.509 2.180 20 0 GEADMN CC(C)N(C)C(=O)C1CC[NH+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000826930150 600793876 /nfs/dbraw/zinc/79/38/76/600793876.db2.gz FXODSXWQJISDFQ-OAHLLOKOSA-N 0 1 393.509 2.130 20 0 GEADMN Cc1nnc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)o1 ZINC000833018892 600794523 /nfs/dbraw/zinc/79/45/23/600794523.db2.gz ZIRYFEMHWMHCKD-WCQYABFASA-N 0 1 376.438 2.123 20 0 GEADMN Cc1nnc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)o1 ZINC000833018892 600794524 /nfs/dbraw/zinc/79/45/24/600794524.db2.gz ZIRYFEMHWMHCKD-WCQYABFASA-N 0 1 376.438 2.123 20 0 GEADMN CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC000737164994 600795018 /nfs/dbraw/zinc/79/50/18/600795018.db2.gz MXBWSTKLSGXWQX-BMGDILEWSA-N 0 1 390.480 2.272 20 0 GEADMN CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])CC2 ZINC000737164728 600795023 /nfs/dbraw/zinc/79/50/23/600795023.db2.gz IXFYOFBEFQZHLZ-UONOGXRCSA-N 0 1 396.509 2.254 20 0 GEADMN C[N@@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000830706448 600800746 /nfs/dbraw/zinc/80/07/46/600800746.db2.gz LJWKJRDZOMMIJN-CVEARBPZSA-N 0 1 394.468 2.066 20 0 GEADMN O=C([O-])c1sc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nc1Cl ZINC000833345826 600814933 /nfs/dbraw/zinc/81/49/33/600814933.db2.gz DPKZYHYPVVEQBJ-GFCCVEGCSA-N 0 1 397.884 2.057 20 0 GEADMN O=C([O-])c1cccc(-c2nc(C[NH+]3CCC(N4CCNC4=O)CC3)cs2)c1 ZINC000833326581 600819826 /nfs/dbraw/zinc/81/98/26/600819826.db2.gz SIBGULJVAJMILT-UHFFFAOYSA-N 0 1 386.477 2.498 20 0 GEADMN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000829619260 600849875 /nfs/dbraw/zinc/84/98/75/600849875.db2.gz YDEIVRSTJCMVNU-LEWJYISDSA-N 0 1 396.487 2.388 20 0 GEADMN CC[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000829619260 600849876 /nfs/dbraw/zinc/84/98/76/600849876.db2.gz YDEIVRSTJCMVNU-LEWJYISDSA-N 0 1 396.487 2.388 20 0 GEADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823792496 607472803 /nfs/dbraw/zinc/47/28/03/607472803.db2.gz VQRJUKIFXPUZNS-CXAGYDPISA-N 0 1 376.468 2.263 20 0 GEADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792496 607472804 /nfs/dbraw/zinc/47/28/04/607472804.db2.gz VQRJUKIFXPUZNS-CXAGYDPISA-N 0 1 376.468 2.263 20 0 GEADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823792496 607472805 /nfs/dbraw/zinc/47/28/05/607472805.db2.gz VQRJUKIFXPUZNS-CXAGYDPISA-N 0 1 376.468 2.263 20 0 GEADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792496 607472806 /nfs/dbraw/zinc/47/28/06/607472806.db2.gz VQRJUKIFXPUZNS-CXAGYDPISA-N 0 1 376.468 2.263 20 0 GEADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792498 607473077 /nfs/dbraw/zinc/47/30/77/607473077.db2.gz VQRJUKIFXPUZNS-GUYCJALGSA-N 0 1 376.468 2.263 20 0 GEADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792498 607473080 /nfs/dbraw/zinc/47/30/80/607473080.db2.gz VQRJUKIFXPUZNS-GUYCJALGSA-N 0 1 376.468 2.263 20 0 GEADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792498 607473082 /nfs/dbraw/zinc/47/30/82/607473082.db2.gz VQRJUKIFXPUZNS-GUYCJALGSA-N 0 1 376.468 2.263 20 0 GEADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792498 607473084 /nfs/dbraw/zinc/47/30/84/607473084.db2.gz VQRJUKIFXPUZNS-GUYCJALGSA-N 0 1 376.468 2.263 20 0 GEADMN CCOc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OCC(=O)[O-] ZINC000737179955 600865123 /nfs/dbraw/zinc/86/51/23/600865123.db2.gz XVWCNXWMONWEGG-GOEBONIOSA-N 0 1 378.469 2.351 20 0 GEADMN C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000830714219 600866286 /nfs/dbraw/zinc/86/62/86/600866286.db2.gz NJOPFRQRCOXVRC-ZDUSSCGKSA-N 0 1 386.901 2.391 20 0 GEADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000828265634 600879293 /nfs/dbraw/zinc/87/92/93/600879293.db2.gz FDIZOMXYAPNOHQ-HUUCEWRRSA-N 0 1 389.496 2.224 20 0 GEADMN Cc1cc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832889354 600986427 /nfs/dbraw/zinc/98/64/27/600986427.db2.gz QNZTZBPCYJFMBR-INIZCTEOSA-N 0 1 380.452 2.232 20 0 GEADMN CS(=O)(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC000832703924 600992207 /nfs/dbraw/zinc/99/22/07/600992207.db2.gz LEWZBVRYVQUQLU-QGZVFWFLSA-N 0 1 378.425 2.381 20 0 GEADMN CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC000832703924 600992210 /nfs/dbraw/zinc/99/22/10/600992210.db2.gz LEWZBVRYVQUQLU-QGZVFWFLSA-N 0 1 378.425 2.381 20 0 GEADMN CC[C@](C)([NH2+]CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1nccs1 ZINC000828692120 601015392 /nfs/dbraw/zinc/01/53/92/601015392.db2.gz FRQDZRKDBHRDLR-SFHVURJKSA-N 0 1 391.449 2.481 20 0 GEADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000833196126 601024471 /nfs/dbraw/zinc/02/44/71/601024471.db2.gz MTFIFUKBAMCEIU-HPKGMJOESA-N 0 1 390.505 2.417 20 0 GEADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000831370473 601026190 /nfs/dbraw/zinc/02/61/90/601026190.db2.gz OPABKBPPYSVKBH-UTUOFQBUSA-N 0 1 380.466 2.324 20 0 GEADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000274185638 601032493 /nfs/dbraw/zinc/03/24/93/601032493.db2.gz JTXORWRNLZWGBW-OAGGEKHMSA-N 0 1 375.469 2.035 20 0 GEADMN O=C([O-])C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C1CCOCC1 ZINC000833247511 601048540 /nfs/dbraw/zinc/04/85/40/601048540.db2.gz MGECDSQRYOGDAR-UHFFFAOYSA-N 0 1 397.475 2.349 20 0 GEADMN O=C([O-])C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C1CCOCC1 ZINC000833247511 601048542 /nfs/dbraw/zinc/04/85/42/601048542.db2.gz MGECDSQRYOGDAR-UHFFFAOYSA-N 0 1 397.475 2.349 20 0 GEADMN CN(Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1)C(=O)[O-] ZINC000830835088 601050539 /nfs/dbraw/zinc/05/05/39/601050539.db2.gz BFYGGXIEXBMICX-QGZVFWFLSA-N 0 1 378.473 2.155 20 0 GEADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 ZINC000630224973 601086537 /nfs/dbraw/zinc/08/65/37/601086537.db2.gz PZAWCRYYJGDLQA-ZDUSSCGKSA-N 0 1 391.468 2.494 20 0 GEADMN COc1ccc(-c2ncc(C(=O)N3CC[NH+]([C@H](C)CC(=O)[O-])CC3)s2)cc1 ZINC000630222091 601090225 /nfs/dbraw/zinc/09/02/25/601090225.db2.gz COPAJKXHKUORLY-CYBMUJFWSA-N 0 1 389.477 2.440 20 0 GEADMN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000630221738 601091735 /nfs/dbraw/zinc/09/17/35/601091735.db2.gz BTUICEDUXGYCCN-KBPBESRZSA-N 0 1 393.509 2.133 20 0 GEADMN CN(C)CC[NH+]1CCC(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000830614047 601096342 /nfs/dbraw/zinc/09/63/42/601096342.db2.gz RPQKZBKEIWVJQJ-UHFFFAOYSA-N 0 1 376.501 2.196 20 0 GEADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000827375496 601097638 /nfs/dbraw/zinc/09/76/38/601097638.db2.gz WZAIIZDCLGILDL-SNVBAGLBSA-N 0 1 382.511 2.045 20 0 GEADMN CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](CCOc3cccc(C(=O)[O-])c3)C2)no1 ZINC000736526319 601113212 /nfs/dbraw/zinc/11/32/12/601113212.db2.gz UYXLPRVFLYNTDR-INIZCTEOSA-N 0 1 388.468 2.476 20 0 GEADMN Cc1nc(CN(C)[C@H]2CC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C2)no1 ZINC000738853944 601114168 /nfs/dbraw/zinc/11/41/68/601114168.db2.gz AFLZCSABLVSJIB-AWEZNQCLSA-N 0 1 394.859 2.315 20 0 GEADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000736129970 601114377 /nfs/dbraw/zinc/11/43/77/601114377.db2.gz HCSOOZYKFOHBOJ-CQSZACIVSA-N 0 1 376.413 2.107 20 0 GEADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000736129970 601114378 /nfs/dbraw/zinc/11/43/78/601114378.db2.gz HCSOOZYKFOHBOJ-CQSZACIVSA-N 0 1 376.413 2.107 20 0 GEADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000831584463 601135769 /nfs/dbraw/zinc/13/57/69/601135769.db2.gz FTBTZOHOMXKDHL-HNNXBMFYSA-N 0 1 384.230 2.469 20 0 GEADMN Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000832939983 601162792 /nfs/dbraw/zinc/16/27/92/601162792.db2.gz HKHPZGXHFPLRPB-VNHYZAJKSA-N 0 1 375.469 2.114 20 0 GEADMN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1C(=O)[O-] ZINC000832939143 601166644 /nfs/dbraw/zinc/16/66/44/601166644.db2.gz GGEQBHVEEJASRT-SFHVURJKSA-N 0 1 395.459 2.413 20 0 GEADMN Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000832955943 601218845 /nfs/dbraw/zinc/21/88/45/601218845.db2.gz SZJZRQIPBVBAEZ-UHFFFAOYSA-N 0 1 380.441 2.243 20 0 GEADMN Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000832955943 601218846 /nfs/dbraw/zinc/21/88/46/601218846.db2.gz SZJZRQIPBVBAEZ-UHFFFAOYSA-N 0 1 380.441 2.243 20 0 GEADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C[C@@H]1C ZINC000829753898 601221753 /nfs/dbraw/zinc/22/17/53/601221753.db2.gz RZWOYEJSQYAUDZ-WMLDXEAASA-N 0 1 390.484 2.228 20 0 GEADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C[C@@H]1C ZINC000829753899 601221836 /nfs/dbraw/zinc/22/18/36/601221836.db2.gz RZWOYEJSQYAUDZ-YOEHRIQHSA-N 0 1 390.484 2.228 20 0 GEADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000379619553 601227622 /nfs/dbraw/zinc/22/76/22/601227622.db2.gz QMOPIBFHQCTPCC-HIFRSBDPSA-N 0 1 377.466 2.044 20 0 GEADMN C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[N@H+]1CCCC[C@@H]1C ZINC000828258880 601231436 /nfs/dbraw/zinc/23/14/36/601231436.db2.gz UUFQSDOIUKXTPS-QWRGUYRKSA-N 0 1 376.425 2.204 20 0 GEADMN COc1ccc(CN2CCCN(Cc3csc(C)n3)CC2)cc1-c1nn[nH]n1 ZINC000826194311 607496344 /nfs/dbraw/zinc/49/63/44/607496344.db2.gz IPOUSERGSYMJEY-UHFFFAOYSA-N 0 1 399.524 2.348 20 0 GEADMN CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@@H]1C ZINC000829760498 601238447 /nfs/dbraw/zinc/23/84/47/601238447.db2.gz SYMFPLTVVFONFD-QWRGUYRKSA-N 0 1 376.425 2.156 20 0 GEADMN O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000390558538 601245022 /nfs/dbraw/zinc/24/50/22/601245022.db2.gz RHGGTZQGBHLVHP-HNNXBMFYSA-N 0 1 392.452 2.467 20 0 GEADMN O=C([O-])c1cc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000833137342 601249082 /nfs/dbraw/zinc/24/90/82/601249082.db2.gz GSZLGTBEQYEKND-UHFFFAOYSA-N 0 1 396.491 2.108 20 0 GEADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000832865786 601257343 /nfs/dbraw/zinc/25/73/43/601257343.db2.gz LUDWZQGDQCDPSK-MRXNPFEDSA-N 0 1 380.510 2.354 20 0 GEADMN CCC[N@@H+](CC)CCNS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000829486992 601262826 /nfs/dbraw/zinc/26/28/26/601262826.db2.gz PWMVGDPXVZRAJH-UHFFFAOYSA-N 0 1 393.303 2.158 20 0 GEADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000828369410 601336580 /nfs/dbraw/zinc/33/65/80/601336580.db2.gz KKKYEFABLCKTCH-BXUZGUMPSA-N 0 1 399.394 2.171 20 0 GEADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829764941 601342261 /nfs/dbraw/zinc/34/22/61/601342261.db2.gz CFBJDBUVZTYNNB-HNNXBMFYSA-N 0 1 391.468 2.053 20 0 GEADMN COc1cc(CN2CC[NH+](Cc3occc3C(=O)[O-])CC2)cc(OC)c1OC ZINC000831995053 601377514 /nfs/dbraw/zinc/37/75/14/601377514.db2.gz DGIPGGHLUSGWBT-UHFFFAOYSA-N 0 1 390.436 2.321 20 0 GEADMN C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000737748007 601488429 /nfs/dbraw/zinc/48/84/29/601488429.db2.gz GCJYQOCJMXJLLW-NSHDSACASA-N 0 1 379.482 2.253 20 0 GEADMN C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000828500406 601492038 /nfs/dbraw/zinc/49/20/38/601492038.db2.gz RAADLCBZGGYPRI-AAEUAGOBSA-N 0 1 391.493 2.347 20 0 GEADMN C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000828500406 601492039 /nfs/dbraw/zinc/49/20/39/601492039.db2.gz RAADLCBZGGYPRI-AAEUAGOBSA-N 0 1 391.493 2.347 20 0 GEADMN CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC(CCC(=O)[O-])CC3)c2C1 ZINC000659064743 601496935 /nfs/dbraw/zinc/49/69/35/601496935.db2.gz SELXQEWAJIGDED-UHFFFAOYSA-N 0 1 387.480 2.454 20 0 GEADMN CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC(CCC(=O)[O-])CC3)c2C1 ZINC000659064743 601496938 /nfs/dbraw/zinc/49/69/38/601496938.db2.gz SELXQEWAJIGDED-UHFFFAOYSA-N 0 1 387.480 2.454 20 0 GEADMN Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000832980167 601507629 /nfs/dbraw/zinc/50/76/29/601507629.db2.gz WGTPAQROFPBELF-UHFFFAOYSA-N 0 1 380.510 2.087 20 0 GEADMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1C(=O)[O-] ZINC000828439151 601509009 /nfs/dbraw/zinc/50/90/09/601509009.db2.gz HIPGZZGPPMSWHA-JLLWLGSASA-N 0 1 392.677 2.495 20 0 GEADMN O=C([O-])CCN(Cc1ccncc1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000833233843 601509650 /nfs/dbraw/zinc/50/96/50/601509650.db2.gz LEPUZFWBZFIRIE-HXUWFJFHSA-N 0 1 397.475 2.176 20 0 GEADMN O=C([O-])CCN(Cc1ccncc1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000833233843 601509653 /nfs/dbraw/zinc/50/96/53/601509653.db2.gz LEPUZFWBZFIRIE-HXUWFJFHSA-N 0 1 397.475 2.176 20 0 GEADMN O=C([O-])CC1(CS(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000833202911 601512127 /nfs/dbraw/zinc/51/21/27/601512127.db2.gz SQFMECLUVXOVMY-CQSZACIVSA-N 0 1 386.539 2.134 20 0 GEADMN C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C[C@H]1C(=O)[O-] ZINC000263366146 601512323 /nfs/dbraw/zinc/51/23/23/601512323.db2.gz TYXYBAVACJEFKP-CZUORRHYSA-N 0 1 399.413 2.007 20 0 GEADMN CC(C)c1ccc(CN2CCN(C(=O)C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000827124199 601512658 /nfs/dbraw/zinc/51/26/58/601512658.db2.gz LJKQFRQUFBREBH-PXNSSMCTSA-N 0 1 387.524 2.107 20 0 GEADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000829659202 601513140 /nfs/dbraw/zinc/51/31/40/601513140.db2.gz WTLJICKBSAXELO-GRDNDAEWSA-N 0 1 375.469 2.148 20 0 GEADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830722691 601519388 /nfs/dbraw/zinc/51/93/88/601519388.db2.gz HPHMWJNZOFVBMK-KRWDZBQOSA-N 0 1 380.510 2.025 20 0 GEADMN C[C@@H]1C[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000828463900 601531363 /nfs/dbraw/zinc/53/13/63/601531363.db2.gz SBXRENPEVBVTES-SCZZXKLOSA-N 0 1 389.765 2.487 20 0 GEADMN C[C@@H]1C[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000828463900 601531365 /nfs/dbraw/zinc/53/13/65/601531365.db2.gz SBXRENPEVBVTES-SCZZXKLOSA-N 0 1 389.765 2.487 20 0 GEADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000832272357 601535683 /nfs/dbraw/zinc/53/56/83/601535683.db2.gz DUHJCNLFYRZWSD-BMFZPTHFSA-N 0 1 376.453 2.020 20 0 GEADMN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000828494988 601555928 /nfs/dbraw/zinc/55/59/28/601555928.db2.gz SYIVAGSSHCCXLL-INMHGKMJSA-N 0 1 386.496 2.230 20 0 GEADMN C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000830623878 601558463 /nfs/dbraw/zinc/55/84/63/601558463.db2.gz LYEYBXFQFSBUOT-UHFFFAOYSA-N 0 1 375.450 2.267 20 0 GEADMN C[N@@H+](CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C1CCCCC1 ZINC000830784991 601574474 /nfs/dbraw/zinc/57/44/74/601574474.db2.gz CPAAENNICGWTLX-UHFFFAOYSA-N 0 1 376.425 2.206 20 0 GEADMN CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C[C@@H]1C ZINC000829754292 601576160 /nfs/dbraw/zinc/57/61/60/601576160.db2.gz VOJQMWDAAVGLEM-XHDPSFHLSA-N 0 1 381.860 2.308 20 0 GEADMN O=C([O-])[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000833124861 601588287 /nfs/dbraw/zinc/58/82/87/601588287.db2.gz GTYIHBQKLRFWKH-ZWKOTPCHSA-N 0 1 388.851 2.483 20 0 GEADMN O=C([O-])[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000833124861 601588289 /nfs/dbraw/zinc/58/82/89/601588289.db2.gz GTYIHBQKLRFWKH-ZWKOTPCHSA-N 0 1 388.851 2.483 20 0 GEADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N(C)CC(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000828753755 601607084 /nfs/dbraw/zinc/60/70/84/601607084.db2.gz VXGGALRQSZKTHU-QXDIGNSFSA-N 0 1 395.544 2.103 20 0 GEADMN O=C([O-])C1CCN(C(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000833190055 601611574 /nfs/dbraw/zinc/61/15/74/601611574.db2.gz JFYCYTSIALHXTR-SFHVURJKSA-N 0 1 386.448 2.138 20 0 GEADMN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000833190055 601611575 /nfs/dbraw/zinc/61/15/75/601611575.db2.gz JFYCYTSIALHXTR-SFHVURJKSA-N 0 1 386.448 2.138 20 0 GEADMN CCc1nc(C[NH+]2CCC(CNC(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)CC2)cs1 ZINC000830315413 601662257 /nfs/dbraw/zinc/66/22/57/601662257.db2.gz WUHGPXQXYMWEHN-XJKSGUPXSA-N 0 1 394.541 2.280 20 0 GEADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000827375298 601687738 /nfs/dbraw/zinc/68/77/38/601687738.db2.gz TTYCAEAHTWSJPZ-VIFPVBQESA-N 0 1 391.212 2.348 20 0 GEADMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)C1 ZINC000828424210 601688751 /nfs/dbraw/zinc/68/87/51/601688751.db2.gz OHZMECUYOGPMHH-GJYPPUQNSA-N 0 1 388.512 2.334 20 0 GEADMN COc1ccccc1OCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000832627794 601729337 /nfs/dbraw/zinc/72/93/37/601729337.db2.gz AHJMQLKTLRJIAH-JOCHJYFZSA-N 0 1 398.459 2.310 20 0 GEADMN Cc1nccn1CCCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833010742 601732742 /nfs/dbraw/zinc/73/27/42/601732742.db2.gz KQQXQCHZMZLAOX-OAQYLSRUSA-N 0 1 384.480 2.207 20 0 GEADMN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833012993 601732996 /nfs/dbraw/zinc/73/29/96/601732996.db2.gz AULPPPKUPQOIMZ-QRQCRPRQSA-N 0 1 398.507 2.376 20 0 GEADMN O=C([O-])[C@]1(NC(=O)c2cn3ccccc3n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128492 601733449 /nfs/dbraw/zinc/73/34/49/601733449.db2.gz HSXSBMFRKJBRKF-NRFANRHFSA-N 0 1 378.432 2.184 20 0 GEADMN COC(=O)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000831448745 601734025 /nfs/dbraw/zinc/73/40/25/601734025.db2.gz GDGZKEMNPJZLMC-JOCHJYFZSA-N 0 1 396.443 2.322 20 0 GEADMN O=C([O-])[C@@]1(NC(=O)CCn2cc(Cl)cn2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833103684 601735890 /nfs/dbraw/zinc/73/58/90/601735890.db2.gz ALTRTFVAEWFYMC-LJQANCHMSA-N 0 1 390.871 2.162 20 0 GEADMN COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[O-])C2)cc(OC)c1 ZINC000831995396 601739849 /nfs/dbraw/zinc/73/98/49/601739849.db2.gz KJFKUZCWHIFGAE-YJBOKZPZSA-N 0 1 393.484 2.077 20 0 GEADMN COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[O-])C2)cc(OC)c1 ZINC000831995396 601739851 /nfs/dbraw/zinc/73/98/51/601739851.db2.gz KJFKUZCWHIFGAE-YJBOKZPZSA-N 0 1 393.484 2.077 20 0 GEADMN COC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000831359776 601740098 /nfs/dbraw/zinc/74/00/98/601740098.db2.gz WKADYQKERCNCRS-QFIPXVFZSA-N 0 1 396.443 2.322 20 0 GEADMN Cn1ncc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1C(F)F ZINC000833061332 601740882 /nfs/dbraw/zinc/74/08/82/601740882.db2.gz FCRWOZVMROCVIZ-IBGZPJMESA-N 0 1 392.406 2.207 20 0 GEADMN O=C([O-])[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000833097928 601745508 /nfs/dbraw/zinc/74/55/08/601745508.db2.gz UFBBKAVMOLICPC-OXQOHEQNSA-N 0 1 386.423 2.359 20 0 GEADMN O=C([O-])[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000833097928 601745509 /nfs/dbraw/zinc/74/55/09/601745509.db2.gz UFBBKAVMOLICPC-OXQOHEQNSA-N 0 1 386.423 2.359 20 0 GEADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000828257591 601765223 /nfs/dbraw/zinc/76/52/23/601765223.db2.gz GHSLFGMAPANPDS-LPHOPBHVSA-N 0 1 389.496 2.446 20 0 GEADMN O=C([O-])[C@@]1(NC(=O)Cn2cc3ccccc3n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833123165 601778283 /nfs/dbraw/zinc/77/82/83/601778283.db2.gz XUAIDCGIKMDHMW-JOCHJYFZSA-N 0 1 392.459 2.272 20 0 GEADMN C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000830714378 601842439 /nfs/dbraw/zinc/84/24/39/601842439.db2.gz QIBHGOHCQOUKHM-CYBMUJFWSA-N 0 1 386.901 2.391 20 0 GEADMN COc1cc(Cl)c(C)cc1N1C(=O)C[C@H]([N@H+]2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000832000623 601850167 /nfs/dbraw/zinc/85/01/67/601850167.db2.gz WWKFECKXMMOYPK-SCLBCKFNSA-N 0 1 380.828 2.086 20 0 GEADMN C[C@@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000666517641 601850246 /nfs/dbraw/zinc/85/02/46/601850246.db2.gz WRSSOFBNUJXMGJ-KRWDZBQOSA-N 0 1 396.491 2.395 20 0 GEADMN CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000829381369 601852633 /nfs/dbraw/zinc/85/26/33/601852633.db2.gz RBCIMBWTYKMOQJ-UHFFFAOYSA-N 0 1 393.459 2.433 20 0 GEADMN C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC000830596545 601861029 /nfs/dbraw/zinc/86/10/29/601861029.db2.gz SMVPGPLHPYOHNA-CYBMUJFWSA-N 0 1 378.425 2.206 20 0 GEADMN CCC[N@H+](C[C@@H]1CCCCO1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829487207 601877352 /nfs/dbraw/zinc/87/73/52/601877352.db2.gz XWDZAQUSVHJUNC-KRWDZBQOSA-N 0 1 389.452 2.392 20 0 GEADMN CCC[N@@H+](C[C@@H]1CCCCO1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829487207 601877353 /nfs/dbraw/zinc/87/73/53/601877353.db2.gz XWDZAQUSVHJUNC-KRWDZBQOSA-N 0 1 389.452 2.392 20 0 GEADMN C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000666530880 601881523 /nfs/dbraw/zinc/88/15/23/601881523.db2.gz GEGGWUZQGSUMGN-JXFKEZNVSA-N 0 1 397.475 2.474 20 0 GEADMN 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C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000825459286 602986514 /nfs/dbraw/zinc/98/65/14/602986514.db2.gz NPLOJSDBCMSAOP-KBXCAEBGSA-N 0 1 387.436 2.067 20 0 GEADMN C[C@@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000739118031 602986694 /nfs/dbraw/zinc/98/66/94/602986694.db2.gz BWGDEWQJOPADGH-SJLPKXTDSA-N 0 1 389.496 2.223 20 0 GEADMN C[C@@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000739118031 602986697 /nfs/dbraw/zinc/98/66/97/602986697.db2.gz BWGDEWQJOPADGH-SJLPKXTDSA-N 0 1 389.496 2.223 20 0 GEADMN CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC[N@H+]1CCOC ZINC000739280127 602997208 /nfs/dbraw/zinc/99/72/08/602997208.db2.gz QGFIWBSLXKFYGX-MRXNPFEDSA-N 0 1 376.457 2.302 20 0 GEADMN O=C([O-])N[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000740533030 603026100 /nfs/dbraw/zinc/02/61/00/603026100.db2.gz BFVODLRVZRBHQM-RBUKOAKNSA-N 0 1 382.464 2.419 20 0 GEADMN COC1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCN(C(=O)[O-])CC1 ZINC000739800430 603030553 /nfs/dbraw/zinc/03/05/53/603030553.db2.gz XOYFNVSNTZULQA-DLBZAZTESA-N 0 1 381.517 2.258 20 0 GEADMN O=C([O-])N1CC[NH+](CCCNC(=O)N2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000740527148 603046714 /nfs/dbraw/zinc/04/67/14/603046714.db2.gz ODUZICWYIYDMQN-QGZVFWFLSA-N 0 1 392.525 2.172 20 0 GEADMN C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)[O-])CC2)cc1 ZINC000739726950 603047894 /nfs/dbraw/zinc/04/78/94/603047894.db2.gz MNENXOMGOJZSPI-MRXNPFEDSA-N 0 1 375.425 2.019 20 0 GEADMN C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)[O-])CC2)cc1 ZINC000739726950 603047899 /nfs/dbraw/zinc/04/78/99/603047899.db2.gz MNENXOMGOJZSPI-MRXNPFEDSA-N 0 1 375.425 2.019 20 0 GEADMN Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])CC2)oc1C ZINC000740222406 603049041 /nfs/dbraw/zinc/04/90/41/603049041.db2.gz DLGYETPRWRHUFU-JKSUJKDBSA-N 0 1 378.473 2.056 20 0 GEADMN C[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738961378 603062625 /nfs/dbraw/zinc/06/26/25/603062625.db2.gz OFAUFQAQDRUOTR-VQIMIIECSA-N 0 1 389.496 2.172 20 0 GEADMN C[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738961378 603062631 /nfs/dbraw/zinc/06/26/31/603062631.db2.gz OFAUFQAQDRUOTR-VQIMIIECSA-N 0 1 389.496 2.172 20 0 GEADMN CC(C)N(CCC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000738961933 603062982 /nfs/dbraw/zinc/06/29/82/603062982.db2.gz TWPUADPNKGAGCT-FUHWJXTLSA-N 0 1 377.485 2.171 20 0 GEADMN CC(C)N(CCC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000738961933 603062988 /nfs/dbraw/zinc/06/29/88/603062988.db2.gz TWPUADPNKGAGCT-FUHWJXTLSA-N 0 1 377.485 2.171 20 0 GEADMN CCc1cnc(CN(C(C)=O)[C@H]2CC[N@@H+](CC3CCN(C(=O)[O-])CC3)C2)o1 ZINC000739551700 603079451 /nfs/dbraw/zinc/07/94/51/603079451.db2.gz XMQIEVRLLXPCHN-INIZCTEOSA-N 0 1 378.473 2.050 20 0 GEADMN O=C([O-])NCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000740651152 603140360 /nfs/dbraw/zinc/14/03/60/603140360.db2.gz FUTHWEQTNPHOSO-AWEZNQCLSA-N 0 1 388.390 2.237 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)C2)nc(C)[nH+]1 ZINC000740079475 603200525 /nfs/dbraw/zinc/20/05/25/603200525.db2.gz HQYBOKSTTCYECK-JYJNAYRXSA-N 0 1 375.473 2.005 20 0 GEADMN CSCC[C@H](NC(=O)[O-])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000829724278 603229996 /nfs/dbraw/zinc/22/99/96/603229996.db2.gz ZFVWETMGHDWARL-RDJZCZTQSA-N 0 1 379.526 2.499 20 0 GEADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824257694 603250246 /nfs/dbraw/zinc/25/02/46/603250246.db2.gz UBFZPPYAUGHVAN-KBAYOESNSA-N 0 1 377.485 2.104 20 0 GEADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000738824608 603268115 /nfs/dbraw/zinc/26/81/15/603268115.db2.gz KBDNYMAHKPIFJG-JKSUJKDBSA-N 0 1 383.876 2.122 20 0 GEADMN COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000738002464 603272426 /nfs/dbraw/zinc/27/24/26/603272426.db2.gz ATBJJCIPQLIRAE-QGZVFWFLSA-N 0 1 390.484 2.055 20 0 GEADMN CN(CCCNC(=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000739678370 603281189 /nfs/dbraw/zinc/28/11/89/603281189.db2.gz POOGVDSOZXDYLO-UHFFFAOYSA-N 0 1 384.427 2.228 20 0 GEADMN CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000736378714 603282275 /nfs/dbraw/zinc/28/22/75/603282275.db2.gz XLRQRCANNRLVFJ-SJORKVTESA-N 0 1 390.484 2.084 20 0 GEADMN C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCN1C(=O)[O-] ZINC000826013880 603298314 /nfs/dbraw/zinc/29/83/14/603298314.db2.gz IPYLPKAHGSZVPE-AWEZNQCLSA-N 0 1 378.498 2.451 20 0 GEADMN O=C([O-])N1CCCc2cc(NC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)ccc21 ZINC000831666502 603313390 /nfs/dbraw/zinc/31/33/90/603313390.db2.gz YHCFFPLLXMNGJX-QGZVFWFLSA-N 0 1 390.484 2.476 20 0 GEADMN C[C@H](c1ccc(NC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000825629987 603316370 /nfs/dbraw/zinc/31/63/70/603316370.db2.gz LTGOCGVGFJTEIN-LSDHHAIUSA-N 0 1 376.457 2.296 20 0 GEADMN O=C([O-])N1CCc2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2C1 ZINC000831665308 603321385 /nfs/dbraw/zinc/32/13/85/603321385.db2.gz DDVDYABUMJTPBN-GOSISDBHSA-N 0 1 390.484 2.081 20 0 GEADMN O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000740658738 603331060 /nfs/dbraw/zinc/33/10/60/603331060.db2.gz GBLOBALODCJROY-ZDUSSCGKSA-N 0 1 390.415 2.077 20 0 GEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1F ZINC000740238224 603402570 /nfs/dbraw/zinc/40/25/70/603402570.db2.gz YXDHMQVGBSFDGO-OAHLLOKOSA-N 0 1 390.415 2.095 20 0 GEADMN Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000740141813 603415089 /nfs/dbraw/zinc/41/50/89/603415089.db2.gz RUNRNWKTXSPBQX-DZKIICNBSA-N 0 1 376.457 2.318 20 0 GEADMN O=C([O-])N(CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000831284147 603465632 /nfs/dbraw/zinc/46/56/32/603465632.db2.gz UHHZTJWVPCSVEG-LJQANCHMSA-N 0 1 386.496 2.427 20 0 GEADMN O=C([O-])N(CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000831284147 603465636 /nfs/dbraw/zinc/46/56/36/603465636.db2.gz UHHZTJWVPCSVEG-LJQANCHMSA-N 0 1 386.496 2.427 20 0 GEADMN Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830823801 603480023 /nfs/dbraw/zinc/48/00/23/603480023.db2.gz HXHABEYEBRHNJP-CQSZACIVSA-N 0 1 377.489 2.392 20 0 GEADMN CCN(CC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1)C(=O)[O-] ZINC000827093270 603503014 /nfs/dbraw/zinc/50/30/14/603503014.db2.gz MQXFBBXEFMNDRD-QGZVFWFLSA-N 0 1 375.469 2.338 20 0 GEADMN O=C([O-])NCc1ccc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)o1 ZINC000832690140 603528282 /nfs/dbraw/zinc/52/82/82/603528282.db2.gz HIBRMCAEEGTGAR-UHFFFAOYSA-N 0 1 379.457 2.060 20 0 GEADMN C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828114092 603533791 /nfs/dbraw/zinc/53/37/91/603533791.db2.gz BIOBPXCYPUWWSL-MRXNPFEDSA-N 0 1 383.452 2.372 20 0 GEADMN C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828114092 603533796 /nfs/dbraw/zinc/53/37/96/603533796.db2.gz BIOBPXCYPUWWSL-MRXNPFEDSA-N 0 1 383.452 2.372 20 0 GEADMN C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828114090 603534213 /nfs/dbraw/zinc/53/42/13/603534213.db2.gz BIOBPXCYPUWWSL-INIZCTEOSA-N 0 1 383.452 2.372 20 0 GEADMN C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828114090 603534216 /nfs/dbraw/zinc/53/42/16/603534216.db2.gz BIOBPXCYPUWWSL-INIZCTEOSA-N 0 1 383.452 2.372 20 0 GEADMN CCN(CC1CC[NH+](CC(=O)Nc2ccc(C(=O)OC)cc2)CC1)C(=O)[O-] ZINC000827093446 603543434 /nfs/dbraw/zinc/54/34/34/603543434.db2.gz PEDYMLIFYMLJJI-UHFFFAOYSA-N 0 1 377.441 2.124 20 0 GEADMN CN(C[C@H]1CCC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1)C(=O)[O-] ZINC000828222704 603577469 /nfs/dbraw/zinc/57/74/69/603577469.db2.gz DCUAUJQWIXEROA-CYBMUJFWSA-N 0 1 376.482 2.029 20 0 GEADMN CN(C[C@H]1CCC[N@H+]1CC(=O)NCCc1nc2ccccc2s1)C(=O)[O-] ZINC000828222704 603577471 /nfs/dbraw/zinc/57/74/71/603577471.db2.gz DCUAUJQWIXEROA-CYBMUJFWSA-N 0 1 376.482 2.029 20 0 GEADMN C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828235342 603588523 /nfs/dbraw/zinc/58/85/23/603588523.db2.gz GPKZDXOLTZCXKT-PKOBYXMFSA-N 0 1 387.480 2.256 20 0 GEADMN CC[N@@H+](CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C1CCCCC1 ZINC000827156684 603591181 /nfs/dbraw/zinc/59/11/81/603591181.db2.gz KHOOLZHOUHTTQQ-LIRRHRJNSA-N 0 1 380.489 2.347 20 0 GEADMN CCC(CC)[N@@H+](CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C1CC1 ZINC000826572736 603593344 /nfs/dbraw/zinc/59/33/44/603593344.db2.gz ZNAVCAWVTXQPEV-ORAYPTAESA-N 0 1 380.489 2.345 20 0 GEADMN C[C@@H]1CCC[C@H]([N@@H+](C)CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889044 603593830 /nfs/dbraw/zinc/59/38/30/603593830.db2.gz SPCIVRCGVKGDIV-MMMWYMCRSA-N 0 1 380.489 2.203 20 0 GEADMN CC(C)C[C@@H]1CCC[N@H+]1CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000824226187 603596500 /nfs/dbraw/zinc/59/65/00/603596500.db2.gz ZOZXHXUNLHCMOR-YZVOILCLSA-N 0 1 380.489 2.203 20 0 GEADMN CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)CC1 ZINC000826674533 603605962 /nfs/dbraw/zinc/60/59/62/603605962.db2.gz AHGPBWRNZWUNNU-ZRGWGRIASA-N 0 1 380.489 2.204 20 0 GEADMN CC(C)[C@H](CCN(C)C(=O)NCC[N@@H+]1CCc2sccc2C1)NC(=O)[O-] ZINC000824083595 603632608 /nfs/dbraw/zinc/63/26/08/603632608.db2.gz CJLKYDDRXZKIMD-HNNXBMFYSA-N 0 1 382.530 2.430 20 0 GEADMN CC(C)[C@H](CCN(C)C(=O)NCC[N@H+]1CCc2sccc2C1)NC(=O)[O-] ZINC000824083595 603632611 /nfs/dbraw/zinc/63/26/11/603632611.db2.gz CJLKYDDRXZKIMD-HNNXBMFYSA-N 0 1 382.530 2.430 20 0 GEADMN CN(C(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000827851220 603639591 /nfs/dbraw/zinc/63/95/91/603639591.db2.gz KDABLXQDSFOWRT-GJZGRUSLSA-N 0 1 380.514 2.354 20 0 GEADMN C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000826115662 603667152 /nfs/dbraw/zinc/66/71/52/603667152.db2.gz JMRXHBOJQBOWFP-WMLDXEAASA-N 0 1 390.484 2.270 20 0 GEADMN C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000826115663 603667357 /nfs/dbraw/zinc/66/73/57/603667357.db2.gz JMRXHBOJQBOWFP-YOEHRIQHSA-N 0 1 390.484 2.270 20 0 GEADMN C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN(C)C(=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000825901612 603689782 /nfs/dbraw/zinc/68/97/82/603689782.db2.gz QKQDOSRPUHFFCB-GJZGRUSLSA-N 0 1 390.484 2.114 20 0 GEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000825192163 603718615 /nfs/dbraw/zinc/71/86/15/603718615.db2.gz CHULEXSEWOMFRW-LPHOPBHVSA-N 0 1 388.512 2.085 20 0 GEADMN COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)[O-])c1OC ZINC000829556169 603719145 /nfs/dbraw/zinc/71/91/45/603719145.db2.gz JXWGGGAWDCFYIB-HOCLYGCPSA-N 0 1 393.484 2.030 20 0 GEADMN O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000832466823 603751961 /nfs/dbraw/zinc/75/19/61/603751961.db2.gz MHBZWTPFPCPUNA-GBESFXJTSA-N 0 1 388.512 2.287 20 0 GEADMN C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)cc1 ZINC000828016908 603767422 /nfs/dbraw/zinc/76/74/22/603767422.db2.gz BHDSQAYFFFGTRR-KRWDZBQOSA-N 0 1 384.436 2.177 20 0 GEADMN C[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)C1CCC(NC(=O)[O-])CC1 ZINC000828108880 603788717 /nfs/dbraw/zinc/78/87/17/603788717.db2.gz WNWXYURVJFPBIS-UHFFFAOYSA-N 0 1 383.876 2.346 20 0 GEADMN CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000826829852 603790383 /nfs/dbraw/zinc/79/03/83/603790383.db2.gz JPMPJSZNUXAYOH-UHFFFAOYSA-N 0 1 382.549 2.031 20 0 GEADMN CN(C(=O)[O-])[C@@H]1CC[N@H+](CCN2c3cccc4cccc(c34)S2(=O)=O)C1 ZINC000827890854 603846876 /nfs/dbraw/zinc/84/68/76/603846876.db2.gz VRIWIXISEPFPHE-CQSZACIVSA-N 0 1 375.450 2.033 20 0 GEADMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCN2c3cccc4cccc(c34)S2(=O)=O)C1 ZINC000827890854 603846880 /nfs/dbraw/zinc/84/68/80/603846880.db2.gz VRIWIXISEPFPHE-CQSZACIVSA-N 0 1 375.450 2.033 20 0 GEADMN CC(C)[C@H](CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)[O-] ZINC000824098411 603851923 /nfs/dbraw/zinc/85/19/23/603851923.db2.gz HKIVYQGMORJJTI-AAEUAGOBSA-N 0 1 377.445 2.210 20 0 GEADMN CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])CC1 ZINC000827223735 603936215 /nfs/dbraw/zinc/93/62/15/603936215.db2.gz WFNAKDOPNXKEOY-ROUUACIJSA-N 0 1 382.549 2.127 20 0 GEADMN CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000828466540 603938615 /nfs/dbraw/zinc/93/86/15/603938615.db2.gz PGONRSGNKZTKHL-ZWKOTPCHSA-N 0 1 382.549 2.077 20 0 GEADMN CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000828466540 603938618 /nfs/dbraw/zinc/93/86/18/603938618.db2.gz PGONRSGNKZTKHL-ZWKOTPCHSA-N 0 1 382.549 2.077 20 0 GEADMN Cc1nc(C[NH+]2CCC(CNC(=O)[C@]3(C)CCN(C(=O)[O-])C3)CC2)oc1C ZINC000830746811 603939312 /nfs/dbraw/zinc/93/93/12/603939312.db2.gz SMZXNLDPOGDJCM-LJQANCHMSA-N 0 1 378.473 2.010 20 0 GEADMN CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000826683851 603952076 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/nfs/dbraw/zinc/99/71/77/606997177.db2.gz HORJYNMYBHSGNM-GFCCVEGCSA-N 0 1 387.465 2.130 20 0 GEADMN O[C@@]12CCCC[C@H]1CN(Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000823697144 607003153 /nfs/dbraw/zinc/00/31/53/607003153.db2.gz JTRYAGDVMIYUCB-FXAWDEMLSA-N 0 1 379.468 2.315 20 0 GEADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821637865 607014247 /nfs/dbraw/zinc/01/42/47/607014247.db2.gz WUCIEIGCDLNIJL-STQMWFEESA-N 0 1 386.481 2.187 20 0 GEADMN CCCC1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCC1 ZINC000821026951 607026170 /nfs/dbraw/zinc/02/61/70/607026170.db2.gz IKUHNTAZUQSUCK-UHFFFAOYSA-N 0 1 385.472 2.351 20 0 GEADMN CC(C)n1ccnc1CN1CCCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820214592 607063499 /nfs/dbraw/zinc/06/34/99/607063499.db2.gz KCOVOSPMLZDGDM-UHFFFAOYSA-N 0 1 398.490 2.491 20 0 GEADMN OC[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000823705880 607152380 /nfs/dbraw/zinc/15/23/80/607152380.db2.gz ILJZWYXHKUVXCM-LBPRGKRZSA-N 0 1 397.357 2.299 20 0 GEADMN CCS[C@@H](C)c1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)n1 ZINC000821449255 607165884 /nfs/dbraw/zinc/16/58/84/607165884.db2.gz RKHNYVGURHHNPB-JTQLQIEISA-N 0 1 383.437 2.427 20 0 GEADMN CCCCc1ccc2nc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)sc2c1 ZINC000821077984 607214129 /nfs/dbraw/zinc/21/41/29/607214129.db2.gz ZRNVZUHKEIQZIT-UHFFFAOYSA-N 0 1 383.441 2.049 20 0 GEADMN Cc1ccc(Oc2ccccc2)c(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822266812 607222362 /nfs/dbraw/zinc/22/23/62/607222362.db2.gz JXHXXEFZTYITSE-UHFFFAOYSA-N 0 1 376.380 2.198 20 0 GEADMN O=S(=O)(CCNC1(c2ccccc2)CCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485506 607830275 /nfs/dbraw/zinc/83/02/75/607830275.db2.gz SXRWBIQDFWKTOO-UHFFFAOYSA-N 0 1 383.477 2.309 20 0 GEADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(c2ccccn2)CC1 ZINC000824047102 607830515 /nfs/dbraw/zinc/83/05/15/607830515.db2.gz XIHFMFIMHWPUDJ-AWEZNQCLSA-N 0 1 377.452 2.468 20 0 GEADMN CCN1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000825459030 607835017 /nfs/dbraw/zinc/83/50/17/607835017.db2.gz HDOAKMWVYKTVPY-SNVBAGLBSA-N 0 1 383.378 2.443 20 0 GEADMN Cc1ccnc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Br)ccc32)n1 ZINC000826309529 607893292 /nfs/dbraw/zinc/89/32/92/607893292.db2.gz RXYXZBVKKFIDSH-UHFFFAOYSA-N 0 1 398.224 2.091 20 0 GEADMN CSCC[C@H](NCc1ccccc1-c1nn[nH]n1)c1nnc2ccccn21 ZINC000826228192 607908772 /nfs/dbraw/zinc/90/87/72/607908772.db2.gz HYWFBDOBZBVERT-HNNXBMFYSA-N 0 1 380.481 2.493 20 0 GEADMN CC[C@H]1C[N@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212949 607942363 /nfs/dbraw/zinc/94/23/63/607942363.db2.gz VDBFOSAXARNDKB-GJZGRUSLSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@H]1C[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212949 607942364 /nfs/dbraw/zinc/94/23/64/607942364.db2.gz VDBFOSAXARNDKB-GJZGRUSLSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@H]1C[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212949 607942365 /nfs/dbraw/zinc/94/23/65/607942365.db2.gz VDBFOSAXARNDKB-GJZGRUSLSA-N 0 1 387.488 2.387 20 0 GEADMN CC[C@H]1C[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212949 607942366 /nfs/dbraw/zinc/94/23/66/607942366.db2.gz VDBFOSAXARNDKB-GJZGRUSLSA-N 0 1 387.488 2.387 20 0 GEADMN CCC[C@@H]1CN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000825251465 607992670 /nfs/dbraw/zinc/99/26/70/607992670.db2.gz BNHJDMWQMIVPMH-CYBMUJFWSA-N 0 1 378.864 2.350 20 0 GEADMN CN1CC[C@H](NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[C@@H]1c1ccccc1 ZINC000826029618 608007015 /nfs/dbraw/zinc/00/70/15/608007015.db2.gz UWVJURPLTOWBAL-HOCLYGCPSA-N 0 1 383.843 2.090 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826077199 608021306 /nfs/dbraw/zinc/02/13/06/608021306.db2.gz DFGLFRZTZASYML-LLVKDONJSA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826077199 608021307 /nfs/dbraw/zinc/02/13/07/608021307.db2.gz DFGLFRZTZASYML-LLVKDONJSA-N 0 1 386.435 2.013 20 0 GEADMN COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188180 608064385 /nfs/dbraw/zinc/06/43/85/608064385.db2.gz POYABQWNWGDFQR-QUCCMNQESA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@](C)(O)[C@H]2CCC[N@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188180 608064386 /nfs/dbraw/zinc/06/43/86/608064386.db2.gz POYABQWNWGDFQR-QUCCMNQESA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188180 608064387 /nfs/dbraw/zinc/06/43/87/608064387.db2.gz POYABQWNWGDFQR-QUCCMNQESA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@](C)(O)[C@H]2CCC[N@H+]2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188180 608064388 /nfs/dbraw/zinc/06/43/88/608064388.db2.gz POYABQWNWGDFQR-QUCCMNQESA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc(Br)cc1CN(C)C(=O)c1[nH]nc2c1CNCC2 ZINC000446204403 649973238 /nfs/dbraw/zinc/97/32/38/649973238.db2.gz DEFJGSMSFITSIG-UHFFFAOYSA-N 0 1 379.258 2.099 20 0 GEADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000825739423 608106331 /nfs/dbraw/zinc/10/63/31/608106331.db2.gz DBVMHDTVTQBYET-JTQLQIEISA-N 0 1 385.432 2.217 20 0 GEADMN CCN1C[C@H](C)N(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444598 608247088 /nfs/dbraw/zinc/24/70/88/608247088.db2.gz OYACCSWODMUXED-HOTGVXAUSA-N 0 1 386.500 2.357 20 0 GEADMN O=C(COc1ccccc1-c1nn[nH]n1)OC[C@H]1CCCN1Cc1ccco1 ZINC000826419104 608248917 /nfs/dbraw/zinc/24/89/17/608248917.db2.gz JEQJTBOEIPAHDG-CQSZACIVSA-N 0 1 383.408 2.046 20 0 GEADMN CC[C@@H]1CN(CCCOc2ccc(-c3nn[nH]n3)cc2)CCN1CC(F)F ZINC000825210815 608257156 /nfs/dbraw/zinc/25/71/56/608257156.db2.gz JHHNYKZJIVAFNG-OAHLLOKOSA-N 0 1 380.443 2.297 20 0 GEADMN Cc1cnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)s1 ZINC000826318644 608259213 /nfs/dbraw/zinc/25/92/13/608259213.db2.gz TWDQQPJELVWILT-UHFFFAOYSA-N 0 1 398.452 2.202 20 0 GEADMN Cc1c([C@H](C)NCCOc2ccc(-c3nn[nH]n3)cc2)nnn1-c1ccccc1 ZINC000826235877 608281658 /nfs/dbraw/zinc/28/16/58/608281658.db2.gz UAHQQXRTWXLSQQ-AWEZNQCLSA-N 0 1 390.451 2.485 20 0 GEADMN Cc1nc(Br)ccc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826323002 608294632 /nfs/dbraw/zinc/29/46/32/608294632.db2.gz LMSHMYAQPLLZNH-UHFFFAOYSA-N 0 1 395.242 2.133 20 0 GEADMN CCN1C[C@@H](C)N(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C[C@@H]1C ZINC000825444196 608315260 /nfs/dbraw/zinc/31/52/60/608315260.db2.gz JWUFINLWZRMJPB-QWHCGFSZSA-N 0 1 383.456 2.114 20 0 GEADMN O=C1[C@H](N2CCC[C@H](C[C@@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476457 608326653 /nfs/dbraw/zinc/32/66/53/608326653.db2.gz IDFQQPUMLVBUNP-JTDSTZFVSA-N 0 1 396.495 2.111 20 0 GEADMN O=C1[C@H](N2CCC[C@@H](C[C@@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476458 608327072 /nfs/dbraw/zinc/32/70/72/608327072.db2.gz IDFQQPUMLVBUNP-TXPKVOOTSA-N 0 1 396.495 2.111 20 0 GEADMN COCC1(C)CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000826152682 608328084 /nfs/dbraw/zinc/32/80/84/608328084.db2.gz JMIWMKYUDPTLDX-UHFFFAOYSA-N 0 1 378.864 2.207 20 0 GEADMN CC(C)(O)C(C)(C)[NH2+]CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824168278 608381688 /nfs/dbraw/zinc/38/16/88/608381688.db2.gz ZFWAVAWNQDKXNY-UHFFFAOYSA-N 0 1 392.529 2.275 20 0 GEADMN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825221101 608407384 /nfs/dbraw/zinc/40/73/84/608407384.db2.gz XZTHHUFINZTRGB-SJLPKXTDSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825221101 608407387 /nfs/dbraw/zinc/40/73/87/608407387.db2.gz XZTHHUFINZTRGB-SJLPKXTDSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825221101 608407388 /nfs/dbraw/zinc/40/73/88/608407388.db2.gz XZTHHUFINZTRGB-SJLPKXTDSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825221101 608407390 /nfs/dbraw/zinc/40/73/90/608407390.db2.gz XZTHHUFINZTRGB-SJLPKXTDSA-N 0 1 392.511 2.419 20 0 GEADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC000825855536 608430700 /nfs/dbraw/zinc/43/07/00/608430700.db2.gz HKIFOJDWEDICAZ-UHFFFAOYSA-N 0 1 392.467 2.044 20 0 GEADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)CC1 ZINC000825855536 608430701 /nfs/dbraw/zinc/43/07/01/608430701.db2.gz HKIFOJDWEDICAZ-UHFFFAOYSA-N 0 1 392.467 2.044 20 0 GEADMN C[C@@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000824571488 608433483 /nfs/dbraw/zinc/43/34/83/608433483.db2.gz QVNZJLKPNLYLKP-DGCLKSJQSA-N 0 1 375.379 2.235 20 0 GEADMN CC[C@@H](NCc1cccc(-c2nn[nH]n2)c1F)c1ccccc1OCC(=O)NC ZINC000825147252 608457806 /nfs/dbraw/zinc/45/78/06/608457806.db2.gz GVNPAKLPBRARDX-MRXNPFEDSA-N 0 1 398.442 2.372 20 0 GEADMN O=C(CNC1(c2ccc(Cl)cc2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412631 608525159 /nfs/dbraw/zinc/52/51/59/608525159.db2.gz WHZFDPMPIADDNZ-UHFFFAOYSA-N 0 1 382.855 2.415 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@H]1CCOc2ccccc21 ZINC000826412418 608528124 /nfs/dbraw/zinc/52/81/24/608528124.db2.gz NJZJJNGPWTYWST-KRWDZBQOSA-N 0 1 390.447 2.085 20 0 GEADMN C[C@@H]1CCCC[C@H]1OCCNC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824936625 608528671 /nfs/dbraw/zinc/52/86/71/608528671.db2.gz KMPKVLDKBYEKGV-CRAIPNDOSA-N 0 1 398.511 2.157 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1cccc2nsnc21 ZINC000826412638 608533385 /nfs/dbraw/zinc/53/33/85/608533385.db2.gz WPXAXACIKNLNKQ-UHFFFAOYSA-N 0 1 392.448 2.089 20 0 GEADMN CC(C)(NC(=O)CCCC(=O)c1ccc(Br)cc1)c1nn[nH]n1 ZINC000446313885 649977243 /nfs/dbraw/zinc/97/72/43/649977243.db2.gz AUQRBPRAYDNNAZ-UHFFFAOYSA-N 0 1 380.246 2.367 20 0 GEADMN CCCCN(CCCO)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825285105 608562098 /nfs/dbraw/zinc/56/20/98/608562098.db2.gz JQCDLLMHUZPZQE-LBPRGKRZSA-N 0 1 392.529 2.228 20 0 GEADMN CCCc1csc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)n1 ZINC000825353292 608562785 /nfs/dbraw/zinc/56/27/85/608562785.db2.gz UJXPFQIGYVSZKY-UHFFFAOYSA-N 0 1 377.455 2.351 20 0 GEADMN Cn1cc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(C(C)(C)C)n1 ZINC000826361271 608581163 /nfs/dbraw/zinc/58/11/63/608581163.db2.gz RECJUMQLESDHSF-UHFFFAOYSA-N 0 1 380.500 2.220 20 0 GEADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(c2cccnc2)CC1 ZINC000824045151 608583719 /nfs/dbraw/zinc/58/37/19/608583719.db2.gz HEQKLMKDGSSOSO-CQSZACIVSA-N 0 1 377.452 2.468 20 0 GEADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826453694 608591085 /nfs/dbraw/zinc/59/10/85/608591085.db2.gz VVLMZDVRLVQEBA-NSHDSACASA-N 0 1 387.831 2.359 20 0 GEADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826453694 608591091 /nfs/dbraw/zinc/59/10/91/608591091.db2.gz VVLMZDVRLVQEBA-NSHDSACASA-N 0 1 387.831 2.359 20 0 GEADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826453694 608591093 /nfs/dbraw/zinc/59/10/93/608591093.db2.gz VVLMZDVRLVQEBA-NSHDSACASA-N 0 1 387.831 2.359 20 0 GEADMN CNC(=O)[C@H]1CCCN1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826060680 608608861 /nfs/dbraw/zinc/60/88/61/608608861.db2.gz QPJGAYHDWQFTIW-LJQANCHMSA-N 0 1 392.463 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C[C@@H]1CN(C(=O)NCCc2cccc(Br)c2)C[C@H](C)N1CCO ZINC000459151312 650419591 /nfs/dbraw/zinc/41/95/91/650419591.db2.gz OTJJMNOYSIPVIH-OKILXGFUSA-N 0 1 384.318 2.088 20 0 GEADMN Cc1cc(CNC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)ccc1Br ZINC000459168865 650420395 /nfs/dbraw/zinc/42/03/95/650420395.db2.gz GHUCLLRRVOQDCW-KGLIPLIRSA-N 0 1 384.318 2.354 20 0 GEADMN C[C@@H](CNC(=O)Cc1c(F)ccc(Br)c1F)N1CCN(C)CC1 ZINC000503618863 650420563 /nfs/dbraw/zinc/42/05/63/650420563.db2.gz OZEOWNMECIUGSQ-NSHDSACASA-N 0 1 390.272 2.022 20 0 GEADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@H](CO)CC(F)F ZINC000459198425 650420845 /nfs/dbraw/zinc/42/08/45/650420845.db2.gz HOZGPZQQLJQDIT-ZETCQYMHSA-N 0 1 377.189 2.141 20 0 GEADMN COCCO[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459219297 650421507 /nfs/dbraw/zinc/42/15/07/650421507.db2.gz RPSGDVNIVCUKJW-NSHDSACASA-N 0 1 397.273 2.272 20 0 GEADMN C[C@H]1NC(=O)N(CCN(C)[C@@H]2CCOc3ccc(Br)cc32)C1=O ZINC000459448885 650424953 /nfs/dbraw/zinc/42/49/53/650424953.db2.gz SSVPCCVNOCZROO-ZWNOBZJWSA-N 0 1 382.258 2.145 20 0 GEADMN O=C(NCCN1CCC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000506426748 650445120 /nfs/dbraw/zinc/44/51/20/650445120.db2.gz QPTLAYUCRMEOIM-UHFFFAOYSA-N 0 1 395.345 2.418 20 0 GEADMN COc1ccc(S(=O)(=O)Nc2ccc(Sc3nncn3C)cc2)cn1 ZINC000506582923 650446872 /nfs/dbraw/zinc/44/68/72/650446872.db2.gz DWKOYXKWMSESSP-UHFFFAOYSA-N 0 1 377.451 2.171 20 0 GEADMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cn1 ZINC000506598836 650447326 /nfs/dbraw/zinc/44/73/26/650447326.db2.gz DNRYSZZWIDGDRX-UHFFFAOYSA-N 0 1 383.857 2.381 20 0 GEADMN O=C(c1ccc(NS(=O)(=O)c2ccsc2)cc1)N1CCC(CO)CC1 ZINC000506613372 650447775 /nfs/dbraw/zinc/44/77/75/650447775.db2.gz CTXWQVDLBFORJD-UHFFFAOYSA-N 0 1 380.491 2.393 20 0 GEADMN O=C(CNC(=O)c1ccc(Br)o1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507023969 650453490 /nfs/dbraw/zinc/45/34/90/650453490.db2.gz YLLBUYASINSQCB-UHFFFAOYSA-N 0 1 381.108 2.153 20 0 GEADMN CCN1CCC[C@H](CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000507410445 650460248 /nfs/dbraw/zinc/46/02/48/650460248.db2.gz VAGTYOAEONHAKJ-CQSZACIVSA-N 0 1 387.933 2.145 20 0 GEADMN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000507947626 650470091 /nfs/dbraw/zinc/47/00/91/650470091.db2.gz DVBJZGVMBASPEF-UHFFFAOYSA-N 0 1 376.360 2.420 20 0 GEADMN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000508088455 650474239 /nfs/dbraw/zinc/47/42/39/650474239.db2.gz ZVCKBTZQJPOFAZ-UHFFFAOYSA-N 0 1 393.799 2.310 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cs1 ZINC000462476030 650481245 /nfs/dbraw/zinc/48/12/45/650481245.db2.gz RBNLYABAFMGMCG-UHFFFAOYSA-N 0 1 382.507 2.287 20 0 GEADMN Cn1c(SCC2=Nc3ccccc3S(=O)(=O)N2)nc2ccsc2c1=O ZINC000508514717 650481797 /nfs/dbraw/zinc/48/17/97/650481797.db2.gz VSHOGVALKIOGCC-UHFFFAOYSA-N 0 1 392.487 2.109 20 0 GEADMN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1Cl ZINC000462501928 650482186 /nfs/dbraw/zinc/48/21/86/650482186.db2.gz OJBSBGVPJHEKTP-GXSJLCMTSA-N 0 1 377.869 2.199 20 0 GEADMN CCCOC1(CNS(=O)(=O)c2scnc2C(=O)OC)CCCCC1 ZINC000462660711 650487293 /nfs/dbraw/zinc/48/72/93/650487293.db2.gz OIYFXLNKRQLZBG-UHFFFAOYSA-N 0 1 376.500 2.338 20 0 GEADMN CCC1(CC)[C@H](NS(=O)(=O)c2scnc2C(=O)OC)[C@H](C)[C@H]1OC ZINC000462663176 650487492 /nfs/dbraw/zinc/48/74/92/650487492.db2.gz ZTYAADUAKLROAR-MVWJERBFSA-N 0 1 376.500 2.048 20 0 GEADMN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000462874645 650492102 /nfs/dbraw/zinc/49/21/02/650492102.db2.gz QJGZHYNOYFLCJN-YPMHNXCESA-N 0 1 398.301 2.304 20 0 GEADMN CCCN(C)[C@@H](CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ccc(Cl)cc1 ZINC000509621295 650497412 /nfs/dbraw/zinc/49/74/12/650497412.db2.gz LFCAKJNUEXIFCR-BBRMVZONSA-N 0 1 389.949 2.119 20 0 GEADMN CN1CCN(C)[C@H](CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000463311740 650492941 /nfs/dbraw/zinc/49/29/41/650492941.db2.gz XAYFMTVMXAAGHK-DJIMGWMZSA-N 0 1 395.345 2.240 20 0 GEADMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000464485749 650497171 /nfs/dbraw/zinc/49/71/71/650497171.db2.gz KTQIZLIQIXBTGK-SNVBAGLBSA-N 0 1 380.388 2.057 20 0 GEADMN NC(=O)[C@@H](NCCOc1ccc(I)cc1)c1ccccc1 ZINC000509504648 650494986 /nfs/dbraw/zinc/49/49/86/650494986.db2.gz BOVBKRSNQBBZBQ-HNNXBMFYSA-N 0 1 396.228 2.486 20 0 GEADMN C[C@@H]1CN(C(=O)COc2ccc(I)cc2)[C@H](C)CN1C ZINC000509639563 650498372 /nfs/dbraw/zinc/49/83/72/650498372.db2.gz KRYNRXBSZHHMBG-VXGBXAGGSA-N 0 1 388.249 2.221 20 0 GEADMN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1Br ZINC000466967223 650500324 /nfs/dbraw/zinc/50/03/24/650500324.db2.gz YGIGIJINCSSWOR-UHFFFAOYSA-N 0 1 399.314 2.454 20 0 GEADMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000467119805 650503150 /nfs/dbraw/zinc/50/31/50/650503150.db2.gz MPFFJZLMRZGEIT-UHFFFAOYSA-N 0 1 386.832 2.365 20 0 GEADMN CCOC(=O)c1c[nH]c(NC(=O)Cc2ccc(I)cc2)n1 ZINC000509992691 650505374 /nfs/dbraw/zinc/50/53/74/650505374.db2.gz PIZMXCCYDJEXST-UHFFFAOYSA-N 0 1 399.188 2.372 20 0 GEADMN CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCN([C@H](C)CO)CC1 ZINC000468931251 650508523 /nfs/dbraw/zinc/50/85/23/650508523.db2.gz KSYAMKHELBDPSC-GOSISDBHSA-N 0 1 377.595 2.014 20 0 GEADMN O=C(COc1ccc2cc(Br)ccc2c1)NC1(c2nn[nH]n2)CC1 ZINC000470990117 650517701 /nfs/dbraw/zinc/51/77/01/650517701.db2.gz ZXXRSZIXMZMMFP-UHFFFAOYSA-N 0 1 388.225 2.300 20 0 GEADMN O=S(=O)(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1F ZINC000511043176 650524079 /nfs/dbraw/zinc/52/40/79/650524079.db2.gz HCPGOTZRAXIBOE-GFCCVEGCSA-N 0 1 390.786 2.021 20 0 GEADMN CN(CC(F)(F)F)C(=O)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000511586022 650539007 /nfs/dbraw/zinc/53/90/07/650539007.db2.gz FBOBXDWDXLCGFL-CYBMUJFWSA-N 0 1 383.208 2.267 20 0 GEADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cn1 ZINC000475798744 650539090 /nfs/dbraw/zinc/53/90/90/650539090.db2.gz QQBWTLOBOUNRQA-UHFFFAOYSA-N 0 1 380.369 2.305 20 0 GEADMN C[C@H](C(=O)Nc1ccc(I)cc1)N(C)[C@@H]1CCC[C@H]1O ZINC000511587719 650539209 /nfs/dbraw/zinc/53/92/09/650539209.db2.gz WTPTZZWTVLPLNZ-LERXQTSPSA-N 0 1 388.249 2.463 20 0 GEADMN CCOc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1Cl ZINC000475814281 650540388 /nfs/dbraw/zinc/54/03/88/650540388.db2.gz VTUJKRBPLXYFDO-UHFFFAOYSA-N 0 1 390.870 2.338 20 0 GEADMN COc1cc(C(=O)NC[C@@H](C)C(F)(F)F)cc(NS(C)(=O)=O)c1OC ZINC000476351783 650549259 /nfs/dbraw/zinc/54/92/59/650549259.db2.gz SLUQNEWNNSCEQU-MRVPVSSYSA-N 0 1 384.376 2.004 20 0 GEADMN COCCCS(=O)(=O)NCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000476454667 650550521 /nfs/dbraw/zinc/55/05/21/650550521.db2.gz BSXFHEHSXYQWGL-UHFFFAOYSA-N 0 1 390.918 2.173 20 0 GEADMN COCCCS(=O)(=O)NCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000476490023 650551171 /nfs/dbraw/zinc/55/11/71/650551171.db2.gz XFILOAWMCQWLKY-HJWRWDBZSA-N 0 1 382.511 2.023 20 0 GEADMN C[C@@H]1CN(C(=O)c2ccc(Br)cc2-n2cncn2)[C@@H](C)CN1C ZINC000512102826 650545562 /nfs/dbraw/zinc/54/55/62/650545562.db2.gz CRIZWFVDIKIKDR-NEPJUHHUSA-N 0 1 378.274 2.194 20 0 GEADMN O=C(N[C@@H](CO)CN1CCCCC1)c1ccnc(SCC(F)(F)F)c1 ZINC000512375145 650546935 /nfs/dbraw/zinc/54/69/35/650546935.db2.gz MTUGCIIXEJVSON-CYBMUJFWSA-N 0 1 377.432 2.313 20 0 GEADMN COCCN1CC[C@@H](NC(=O)c2c(C)cccc2I)C1 ZINC000476549794 650553470 /nfs/dbraw/zinc/55/34/70/650553470.db2.gz QYGRYPNRPIWQHY-GFCCVEGCSA-N 0 1 388.249 2.050 20 0 GEADMN C[C@H](NCc1cc(Br)c2c(c1)OCCO2)C1(S(C)(=O)=O)CC1 ZINC000512865017 650555342 /nfs/dbraw/zinc/55/53/42/650555342.db2.gz QRLHQMKFJBVAFF-JTQLQIEISA-N 0 1 390.299 2.276 20 0 GEADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1cccc2c1OCO2 ZINC000513022037 650556688 /nfs/dbraw/zinc/55/66/88/650556688.db2.gz NVOAQMYZIDDMSZ-UHFFFAOYSA-N 0 1 382.869 2.445 20 0 GEADMN C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C[C@H](C)N1C ZINC000513097934 650557739 /nfs/dbraw/zinc/55/77/39/650557739.db2.gz YQVVIHMGCFXUKR-MJBXVCDLSA-N 0 1 394.313 2.353 20 0 GEADMN CN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513965231 650572304 /nfs/dbraw/zinc/57/23/04/650572304.db2.gz VYKQUKKYWQLAQS-NSHDSACASA-N 0 1 394.324 2.145 20 0 GEADMN CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@H]1N1CCCC1 ZINC000477123248 650569396 /nfs/dbraw/zinc/56/93/96/650569396.db2.gz WCEZVTQIERYTIP-ZIAGYGMSSA-N 0 1 380.457 2.304 20 0 GEADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[S@](=O)[C@@H](C)[C@@H]3C)n2)cc1 ZINC000477174307 650570714 /nfs/dbraw/zinc/57/07/14/650570714.db2.gz AGOGTMGTBIXARL-IZEVZFMRSA-N 0 1 378.523 2.240 20 0 GEADMN Cc1cc(C(=O)NC2(c3nn[nH]n3)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000477042117 650567144 /nfs/dbraw/zinc/56/71/44/650567144.db2.gz VVRZMQTUADAAJY-UHFFFAOYSA-N 0 1 378.223 2.420 20 0 GEADMN CC(C)c1nc([C@H](C)NC(=O)CCn2cc(Br)ccc2=O)n[nH]1 ZINC000477338006 650574099 /nfs/dbraw/zinc/57/40/99/650574099.db2.gz MMEBYWVRBXLMSC-JTQLQIEISA-N 0 1 382.262 2.120 20 0 GEADMN CC(C)(C)N1CC[C@H](NC(=O)c2n[nH]c3ccc(Br)cc32)C1=O ZINC000515654038 650593269 /nfs/dbraw/zinc/59/32/69/650593269.db2.gz BIIKHHZOWHGAON-LBPRGKRZSA-N 0 1 379.258 2.455 20 0 GEADMN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000479137304 650597248 /nfs/dbraw/zinc/59/72/48/650597248.db2.gz DJCJQFCGAQPTSK-UHFFFAOYSA-N 0 1 383.426 2.215 20 0 GEADMN CC(=O)CNC(=O)[C@@H](C)Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000479202678 650598736 /nfs/dbraw/zinc/59/87/36/650598736.db2.gz ADDWCFPDLYIAPD-SECBINFHSA-N 0 1 383.271 2.420 20 0 GEADMN CCCNC(=O)CCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479339717 650601662 /nfs/dbraw/zinc/60/16/62/650601662.db2.gz BWCGTWVAQIJDCR-SECBINFHSA-N 0 1 382.313 2.208 20 0 GEADMN C[C@]([NH3+])(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000518529638 650605699 /nfs/dbraw/zinc/60/56/99/650605699.db2.gz PYNQFGURVSYPRC-MGPLVRAMSA-N 0 1 395.257 2.118 20 0 GEADMN C[C@@H](NC(=O)c1n[nH]c2ccc(I)cc21)c1ncon1 ZINC000479537044 650605806 /nfs/dbraw/zinc/60/58/06/650605806.db2.gz AJEUDHWWFKWFFT-ZCFIWIBFSA-N 0 1 383.149 2.042 20 0 GEADMN CCCCOc1ccc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1 ZINC000479549201 650606228 /nfs/dbraw/zinc/60/62/28/650606228.db2.gz FRRMPTPLRBIQPO-UHFFFAOYSA-N 0 1 384.479 2.465 20 0 GEADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cn([C@H]2CCOC2)nn1 ZINC000479874075 650611549 /nfs/dbraw/zinc/61/15/49/650611549.db2.gz NZLZODWUOGNHMM-VIFPVBQESA-N 0 1 377.202 2.131 20 0 GEADMN CS(=O)(=O)C1(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCC1 ZINC000519798003 650612626 /nfs/dbraw/zinc/61/26/26/650612626.db2.gz VQJYUHMIBSPPIH-UHFFFAOYSA-N 0 1 399.270 2.140 20 0 GEADMN COc1nn(C)cc1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480189062 650617473 /nfs/dbraw/zinc/61/74/73/650617473.db2.gz ABRDYKNSZYYARD-UHFFFAOYSA-N 0 1 378.223 2.440 20 0 GEADMN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCc2[nH]cnc21 ZINC000521500096 650618255 /nfs/dbraw/zinc/61/82/55/650618255.db2.gz YPWMXIVRDQOCHR-CQSZACIVSA-N 0 1 381.885 2.463 20 0 GEADMN C[C@@]1(c2ccc(CNCc3ccc(Br)cn3)cc2)NC(=O)NC1=O ZINC000522247823 650623974 /nfs/dbraw/zinc/62/39/74/650623974.db2.gz JKWCCXUCVYTRLF-KRWDZBQOSA-N 0 1 389.253 2.189 20 0 GEADMN C[C@H](Oc1ccccc1Br)C(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000522927822 650629428 /nfs/dbraw/zinc/62/94/28/650629428.db2.gz FDSWRGGTIGFIGP-JTQLQIEISA-N 0 1 380.246 2.315 20 0 GEADMN Cn1cc(CN2CCN(Cc3nc4ccc(Br)cc4[nH]3)CC2)cn1 ZINC000480799185 650632848 /nfs/dbraw/zinc/63/28/48/650632848.db2.gz ZWTOXEFAKUXVAK-UHFFFAOYSA-N 0 1 389.301 2.377 20 0 GEADMN COc1ccc(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c(Br)c1 ZINC000480807614 650633129 /nfs/dbraw/zinc/63/31/29/650633129.db2.gz UTFOELIXARDRBU-YGRLFVJLSA-N 0 1 389.315 2.219 20 0 GEADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)NCc1n[nH]cc1Br ZINC000524139859 650638829 /nfs/dbraw/zinc/63/88/29/650638829.db2.gz DAKJPVCERDZXGY-UHFFFAOYSA-N 0 1 394.208 2.096 20 0 GEADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)NCc1n[nH]cc1Br ZINC000524139859 650638831 /nfs/dbraw/zinc/63/88/31/650638831.db2.gz DAKJPVCERDZXGY-UHFFFAOYSA-N 0 1 394.208 2.096 20 0 GEADMN CN(Cc1cn(-c2cccc(Br)c2)nn1)c1ncnc2[nH]cnc21 ZINC000481093195 650640552 /nfs/dbraw/zinc/64/05/52/650640552.db2.gz QZRJZYZDNJEMOO-UHFFFAOYSA-N 0 1 385.229 2.333 20 0 GEADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@H]1CC[C@@H](C)C1 ZINC000481255489 650642971 /nfs/dbraw/zinc/64/29/71/650642971.db2.gz UQTCHLVFKARVQX-OLZOCXBDSA-N 0 1 390.527 2.171 20 0 GEADMN O=C(COC[C@H]1CCOC1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000524554135 650642980 /nfs/dbraw/zinc/64/29/80/650642980.db2.gz KRGGJTUQAXYFOV-JTQLQIEISA-N 0 1 381.230 2.226 20 0 GEADMN CCN(CC)CCN(CC(C)C)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000525442778 650655001 /nfs/dbraw/zinc/65/50/01/650655001.db2.gz CATYZBIEJUUIPJ-IAGOWNOFSA-N 0 1 375.579 2.352 20 0 GEADMN CCOC(=O)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000526945023 650665539 /nfs/dbraw/zinc/66/55/39/650665539.db2.gz MDYMSUKHDQTCIL-UHFFFAOYSA-N 0 1 375.328 2.473 20 0 GEADMN CC(C)CN1CCO[C@@H](CNC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000527165632 650670107 /nfs/dbraw/zinc/67/01/07/650670107.db2.gz IEBQPFMWCRRTSC-ZDUSSCGKSA-N 0 1 395.301 2.412 20 0 GEADMN NC(=O)[C@@H](NCCCNC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000527193873 650670713 /nfs/dbraw/zinc/67/07/13/650670713.db2.gz FEPJEPJZXWRROA-INIZCTEOSA-N 0 1 390.281 2.385 20 0 GEADMN O=C(CCCCc1cn[nH]n1)N(CCO)Cc1ccc(Br)s1 ZINC000483007199 650673015 /nfs/dbraw/zinc/67/30/15/650673015.db2.gz OWSJBCCFGBVGMH-UHFFFAOYSA-N 0 1 387.303 2.363 20 0 GEADMN O=C(NCCN1CCCOCC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000527369262 650674991 /nfs/dbraw/zinc/67/49/91/650674991.db2.gz HQASQCQAGVHUQZ-UHFFFAOYSA-N 0 1 393.285 2.087 20 0 GEADMN COc1ccc(Br)c(CNC[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527756240 650682500 /nfs/dbraw/zinc/68/25/00/650682500.db2.gz YFRHGFOOHDGOPH-GOSISDBHSA-N 0 1 399.329 2.163 20 0 GEADMN CCO[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccc(Br)cc1F ZINC000484646317 650688415 /nfs/dbraw/zinc/68/84/15/650688415.db2.gz IQYMJDPWISWDSW-UONOGXRCSA-N 0 1 375.238 2.310 20 0 GEADMN COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000528337408 650689103 /nfs/dbraw/zinc/68/91/03/650689103.db2.gz XKMBCUCRXVQHHH-GHMZBOCLSA-N 0 1 382.404 2.355 20 0 GEADMN O=C1N=NC2CN(Cc3nc(-c4ccc(Br)cc4)c[nH]3)CCN12 ZINC000484739787 650689509 /nfs/dbraw/zinc/68/95/09/650689509.db2.gz QXULSLFHTVNDRF-UHFFFAOYSA-N 0 1 375.230 2.152 20 0 GEADMN CC(C)(C)OC(=O)[C@](C)(O)CNCc1cnc2ccc(Br)cn12 ZINC000484765993 650690114 /nfs/dbraw/zinc/69/01/14/650690114.db2.gz LTHFRSCKGUAXEA-MRXNPFEDSA-N 0 1 384.274 2.279 20 0 GEADMN CN1CCN(C[C@H](NC(=O)[C@H]2C[C@]2(C)Br)c2ccccc2)CC1 ZINC000528395542 650692392 /nfs/dbraw/zinc/69/23/92/650692392.db2.gz KRBNCOXWFOAVQH-RYRKJORJSA-N 0 1 380.330 2.265 20 0 GEADMN C[C@H]1CCN(C)CCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000485082076 650693047 /nfs/dbraw/zinc/69/30/47/650693047.db2.gz WHOLXFVNNIYGHE-NSHDSACASA-N 0 1 380.901 2.119 20 0 GEADMN COc1c(Br)cc(Cl)cc1NC(=O)NC[C@H]1COCCN1 ZINC000528680457 650697640 /nfs/dbraw/zinc/69/76/40/650697640.db2.gz NHXJEPIARYRIAB-VIFPVBQESA-N 0 1 378.654 2.221 20 0 GEADMN CC[C@@H](N[C@@H](C)C(=O)NCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485804207 650700863 /nfs/dbraw/zinc/70/08/63/650700863.db2.gz GUXOTLKCMZKNRI-TVQRCGJNSA-N 0 1 375.238 2.307 20 0 GEADMN CC[C@H](CO)N1CCN(Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000485851911 650701461 /nfs/dbraw/zinc/70/14/61/650701461.db2.gz WHIGMDRNWYXHJI-CQSZACIVSA-N 0 1 381.318 2.224 20 0 GEADMN O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000529315339 650702614 /nfs/dbraw/zinc/70/26/14/650702614.db2.gz KRARDNXHCACVPW-HBNTYKKESA-N 0 1 383.271 2.332 20 0 GEADMN CO[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@@H]1OC ZINC000486270736 650710292 /nfs/dbraw/zinc/71/02/92/650710292.db2.gz YLNSFPKRMGLUMS-GASCZTMLSA-N 0 1 380.242 2.325 20 0 GEADMN CC(C)(C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000530140887 650715481 /nfs/dbraw/zinc/71/54/81/650715481.db2.gz MWHAFVQPGJQKRA-UHFFFAOYSA-N 0 1 399.271 2.302 20 0 GEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000530209793 650718236 /nfs/dbraw/zinc/71/82/36/650718236.db2.gz DIVHGLUNDMADII-AWEZNQCLSA-N 0 1 388.205 2.169 20 0 GEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000530209793 650718244 /nfs/dbraw/zinc/71/82/44/650718244.db2.gz DIVHGLUNDMADII-AWEZNQCLSA-N 0 1 388.205 2.169 20 0 GEADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Br)c[nH]2)CC1 ZINC000530951942 650731756 /nfs/dbraw/zinc/73/17/56/650731756.db2.gz RXMWRLAQTRLKKE-UHFFFAOYSA-N 0 1 399.333 2.134 20 0 GEADMN COCCCS(=O)(=O)NCCN1CCC(OCC2CCCCC2)CC1 ZINC000531101781 650734869 /nfs/dbraw/zinc/73/48/69/650734869.db2.gz SUQJXNIWGRLAES-UHFFFAOYSA-N 0 1 376.563 2.004 20 0 GEADMN CN(C)CCCN(C(=O)CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000531198449 650736218 /nfs/dbraw/zinc/73/62/18/650736218.db2.gz CUGCXILJMHMCAA-INIZCTEOSA-N 0 1 384.567 2.136 20 0 GEADMN CN(C)CCCN(C(=O)c1cnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000531570355 650741174 /nfs/dbraw/zinc/74/11/74/650741174.db2.gz VMFMKWUPDRZQCI-CYBMUJFWSA-N 0 1 387.571 2.022 20 0 GEADMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)N1CCCC1=O ZINC000007251995 642336923 /nfs/dbraw/zinc/33/69/23/642336923.db2.gz HYYXZOWORYEACT-UHFFFAOYSA-N 0 1 381.255 2.475 20 0 GEADMN COc1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000007410042 642339456 /nfs/dbraw/zinc/33/94/56/642339456.db2.gz BEPAAISMVCUMHR-UHFFFAOYSA-N 0 1 377.344 2.423 20 0 GEADMN COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cn1C ZINC000488211366 650742567 /nfs/dbraw/zinc/74/25/67/650742567.db2.gz OVSMLUKSKMKOLW-UHFFFAOYSA-N 0 1 385.829 2.089 20 0 GEADMN COc1cc(OC)c(NS(=O)(=O)C[C@@H]2CCCO2)cc1Br ZINC000488362662 650745264 /nfs/dbraw/zinc/74/52/64/650745264.db2.gz DRRXCDXDHKORCQ-VIFPVBQESA-N 0 1 380.260 2.387 20 0 GEADMN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000014097585 642376162 /nfs/dbraw/zinc/37/61/62/642376162.db2.gz WKFPTAYSKPEZIZ-UHFFFAOYSA-N 0 1 383.447 2.068 20 0 GEADMN C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000532494268 650748915 /nfs/dbraw/zinc/74/89/15/650748915.db2.gz NLQVMYMCTPORHT-AWEZNQCLSA-N 0 1 381.519 2.486 20 0 GEADMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000023873775 642413973 /nfs/dbraw/zinc/41/39/73/642413973.db2.gz DVBNOMJLPLKYJK-UHFFFAOYSA-N 0 1 383.769 2.494 20 0 GEADMN COC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000024039035 642414399 /nfs/dbraw/zinc/41/43/99/642414399.db2.gz PGTDHDDSXPHUHO-UHFFFAOYSA-N 0 1 383.809 2.471 20 0 GEADMN O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000028254972 642449011 /nfs/dbraw/zinc/44/90/11/642449011.db2.gz CMQWIPRFBZKNFT-UHFFFAOYSA-N 0 1 379.825 2.185 20 0 GEADMN CCCN(C(=O)[C@@H](C)Sc1nnc(C(C)(C)C)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000028857121 642454159 /nfs/dbraw/zinc/45/41/59/642454159.db2.gz OLPLTTXUZPFVFX-NEPJUHHUSA-N 0 1 388.559 2.009 20 0 GEADMN NC(=O)NCCCCC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000028903066 642454656 /nfs/dbraw/zinc/45/46/56/642454656.db2.gz QGXLYNDDJBKBLS-UHFFFAOYSA-N 0 1 381.234 2.011 20 0 GEADMN CC(C)(C)NC(=O)CNC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000533047826 650756224 /nfs/dbraw/zinc/75/62/24/650756224.db2.gz PMGOKZIBMXUPLT-UHFFFAOYSA-N 0 1 396.329 2.449 20 0 GEADMN COc1ccc(Br)cc1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000037383138 642513164 /nfs/dbraw/zinc/51/31/64/642513164.db2.gz UXFNQTCHFKSPBW-UHFFFAOYSA-N 0 1 377.304 2.172 20 0 GEADMN O=C(NCCc1cccs1)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000040176962 642522291 /nfs/dbraw/zinc/52/22/91/642522291.db2.gz ISPJZWDREFRHAP-UHFFFAOYSA-N 0 1 380.491 2.211 20 0 GEADMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000040436936 642523564 /nfs/dbraw/zinc/52/35/64/642523564.db2.gz ULTHEQJUMSPFIV-UHFFFAOYSA-N 0 1 391.268 2.048 20 0 GEADMN COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cn1 ZINC000044285999 642573211 /nfs/dbraw/zinc/57/32/11/642573211.db2.gz BDYNEURDBMNCGN-UHFFFAOYSA-N 0 1 390.202 2.496 20 0 GEADMN COC(=O)CCOc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1 ZINC000533625777 650763944 /nfs/dbraw/zinc/76/39/44/650763944.db2.gz SMZWZAJUNWNDGZ-UHFFFAOYSA-N 0 1 385.829 2.060 20 0 GEADMN CS[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1N(C)C ZINC000534171837 650770118 /nfs/dbraw/zinc/77/01/18/650770118.db2.gz NDCWXTOXZOROHQ-CMPLNLGQSA-N 0 1 384.445 2.251 20 0 GEADMN COC(=O)c1csc(S(=O)(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000534241564 650771403 /nfs/dbraw/zinc/77/14/03/650771403.db2.gz DZSDUCNRQTTXOZ-UHFFFAOYSA-N 0 1 386.470 2.214 20 0 GEADMN Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000047331719 642629575 /nfs/dbraw/zinc/62/95/75/642629575.db2.gz NGJHBRBAEQQYDL-UHFFFAOYSA-N 0 1 382.917 2.325 20 0 GEADMN CCN(CC)[C@@H](CNC(=O)Cn1cc(Br)ccc1=O)c1ccco1 ZINC000047368695 642631082 /nfs/dbraw/zinc/63/10/82/642631082.db2.gz ZFHINHDWYAPZLA-AWEZNQCLSA-N 0 1 396.285 2.403 20 0 GEADMN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C[C@H](C)S1 ZINC000534312179 650772399 /nfs/dbraw/zinc/77/23/99/650772399.db2.gz NTQUCHQWBOBULG-STQMWFEESA-N 0 1 384.523 2.143 20 0 GEADMN COC(=O)c1ncsc1S(=O)(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000490450973 650773495 /nfs/dbraw/zinc/77/34/95/650773495.db2.gz CAIIWMJRFOGGBB-UHFFFAOYSA-N 0 1 399.372 2.150 20 0 GEADMN O=C(NCCN[C@@H]1CCc2c1c(Br)ccc2F)c1cnccn1 ZINC000534058936 650768804 /nfs/dbraw/zinc/76/88/04/650768804.db2.gz IKOHGMCBFBKRBW-CYBMUJFWSA-N 0 1 379.233 2.385 20 0 GEADMN O=C(CSCc1cc(-c2cccs2)on1)Nc1nc(SCCO)n[nH]1 ZINC000490543000 650775936 /nfs/dbraw/zinc/77/59/36/650775936.db2.gz LBFBTVHRMNJPPW-UHFFFAOYSA-N 0 1 397.507 2.478 20 0 GEADMN Cn1nnnc1SCCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534941044 650782302 /nfs/dbraw/zinc/78/23/02/650782302.db2.gz MMXVDBBKFGWYJT-UHFFFAOYSA-N 0 1 392.666 2.453 20 0 GEADMN Cc1[nH]nc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1Br ZINC000053270336 642731948 /nfs/dbraw/zinc/73/19/48/642731948.db2.gz JDKLTEQYLPLFEE-UHFFFAOYSA-N 0 1 378.274 2.485 20 0 GEADMN O=C(c1[nH]nc2ccc(I)cc21)N1CCC(CCO)CC1 ZINC000534706298 650779981 /nfs/dbraw/zinc/77/99/81/650779981.db2.gz YHMKUZCPTHEHJC-UHFFFAOYSA-N 0 1 399.232 2.402 20 0 GEADMN Cc1n[nH]c(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1Br ZINC000054704908 642756488 /nfs/dbraw/zinc/75/64/88/642756488.db2.gz MIVWZVUWIWZSQC-NSHDSACASA-N 0 1 395.257 2.326 20 0 GEADMN O=C(NNC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1O ZINC000054980876 642766444 /nfs/dbraw/zinc/76/64/44/642766444.db2.gz XKMNIGIMEFYDJG-UHFFFAOYSA-N 0 1 379.825 2.448 20 0 GEADMN CC(C)(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)s1 ZINC000055976236 642786013 /nfs/dbraw/zinc/78/60/13/642786013.db2.gz OHFKHQJCYCUPOE-UHFFFAOYSA-N 0 1 384.483 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ANFQTHRDSZMLAH-SUNKGSAMSA-N 0 1 390.249 2.371 20 0 GEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923246780 654437499 /nfs/dbraw/zinc/43/74/99/654437499.db2.gz ANFQTHRDSZMLAH-JTNHKYCSSA-N 0 1 390.249 2.371 20 0 GEADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1n[nH]c(C)n1 ZINC000894002325 654437780 /nfs/dbraw/zinc/43/77/80/654437780.db2.gz VPIPCOVZRPKAFT-XPTSAGLGSA-N 0 1 382.262 2.451 20 0 GEADMN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)c1cc(Br)[nH]n1 ZINC000855819784 654441526 /nfs/dbraw/zinc/44/15/26/654441526.db2.gz KEAUMDRZBLHVCT-UHFFFAOYSA-N 0 1 385.262 2.302 20 0 GEADMN O=C(NCC(O)(C1CC1)C1CC1)c1cccc(I)c1O ZINC000855912132 654448327 /nfs/dbraw/zinc/44/83/27/654448327.db2.gz KSVVZZCZGAZFLU-UHFFFAOYSA-N 0 1 387.217 2.278 20 0 GEADMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1c(I)cnn1C ZINC000894139549 654449499 /nfs/dbraw/zinc/44/94/99/654449499.db2.gz FSXQWZCCBALBOR-QMTHXVAHSA-N 0 1 391.253 2.236 20 0 GEADMN Cc1cccc([C@@H](CNCc2nc(Br)nn2C)N2CCOCC2)c1 ZINC000894174675 654452850 /nfs/dbraw/zinc/45/28/50/654452850.db2.gz XBOVMUBCZNRQMR-OAHLLOKOSA-N 0 1 394.317 2.049 20 0 GEADMN CN(C)C[C@H](NC(=O)NCC[C@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000923448869 654453562 /nfs/dbraw/zinc/45/35/62/654453562.db2.gz HPNSOFSJDCOLRW-ABAIWWIYSA-N 0 1 387.311 2.422 20 0 GEADMN COCCN1CC[C@H](NC(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906619204 654454254 /nfs/dbraw/zinc/45/42/54/654454254.db2.gz OMSKCFSEZZABTI-GXFFZTMASA-N 0 1 377.304 2.035 20 0 GEADMN CN(C)C[C@H](NC(=O)NCC[C@@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000923448873 654454296 /nfs/dbraw/zinc/45/42/96/654454296.db2.gz HPNSOFSJDCOLRW-NHYWBVRUSA-N 0 1 387.311 2.422 20 0 GEADMN Cn1cc(CNC[C@]2(O)CCCc3ccccc32)c(I)n1 ZINC000894252683 654459269 /nfs/dbraw/zinc/45/92/69/654459269.db2.gz NALKCIRHRBVUIT-MRXNPFEDSA-N 0 1 397.260 2.338 20 0 GEADMN Cc1cccc(CNC(=O)N2CCN(C)CCN(C)CC2)c1Br ZINC000894348660 654467701 /nfs/dbraw/zinc/46/77/01/654467701.db2.gz AYSNYKRSOWXSDD-UHFFFAOYSA-N 0 1 383.334 2.146 20 0 GEADMN O=C(CC1OCCCO1)Nc1nc2ccc(I)cc2[nH]1 ZINC000856204062 654469882 /nfs/dbraw/zinc/46/98/82/654469882.db2.gz VKUMIAISQDMUEV-UHFFFAOYSA-N 0 1 387.177 2.259 20 0 GEADMN Cn1cc(CNCCc2cnc(C3CC3)nc2)c(I)n1 ZINC000894369053 654470310 /nfs/dbraw/zinc/47/03/10/654470310.db2.gz QLONIZRSEPAUDA-UHFFFAOYSA-N 0 1 383.237 2.024 20 0 GEADMN CN(Cc1ncc(Br)cc1[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894460300 654477828 /nfs/dbraw/zinc/47/78/28/654477828.db2.gz VOXSKBAPWUPAHZ-OAHLLOKOSA-N 0 1 383.334 2.150 20 0 GEADMN CCSCc1cc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)no1 ZINC000856417561 654480345 /nfs/dbraw/zinc/48/03/45/654480345.db2.gz ZAORWWIBKVQOHX-SKDRFNHKSA-N 0 1 379.404 2.457 20 0 GEADMN CC(C)n1cc(Br)c(C(=O)N2CCN(C3CCOCC3)CC2)n1 ZINC000906890059 654483270 /nfs/dbraw/zinc/48/32/70/654483270.db2.gz YHLQLVSHSYJGFU-UHFFFAOYSA-N 0 1 385.306 2.163 20 0 GEADMN C[C@]1(C(F)F)CN(C(=O)c2cccc(I)c2O)CCO1 ZINC000856499907 654483999 /nfs/dbraw/zinc/48/39/99/654483999.db2.gz JGLATOZEFLAKFK-CYBMUJFWSA-N 0 1 397.159 2.493 20 0 GEADMN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](NCc2c[nH]cn2)C1 ZINC000894554254 654486038 /nfs/dbraw/zinc/48/60/38/654486038.db2.gz WAFZJXQSUHYYDR-ZDUSSCGKSA-N 0 1 399.314 2.115 20 0 GEADMN Brc1cc(Cc2noc(Cc3nnc[nH]3)n2)cc2c1OCCCO2 ZINC000923864977 654486125 /nfs/dbraw/zinc/48/61/25/654486125.db2.gz WSYLKBNQBHBLBL-UHFFFAOYSA-N 0 1 392.213 2.293 20 0 GEADMN CN1CCN(C)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000894565564 654486955 /nfs/dbraw/zinc/48/69/55/654486955.db2.gz ZUYCNVCODIZJAM-DOTOQJQBSA-N 0 1 395.345 2.194 20 0 GEADMN CSCc1n[nH]c(CNC(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)n1 ZINC000894601965 654489453 /nfs/dbraw/zinc/48/94/53/654489453.db2.gz URRTXTLZRPEBCS-UHFFFAOYSA-N 0 1 376.408 2.243 20 0 GEADMN CSCc1nnc(CNC(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)[nH]1 ZINC000894601965 654489455 /nfs/dbraw/zinc/48/94/55/654489455.db2.gz URRTXTLZRPEBCS-UHFFFAOYSA-N 0 1 376.408 2.243 20 0 GEADMN CSCc1n[nH]c(CNC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)n1 ZINC000894601985 654489509 /nfs/dbraw/zinc/48/95/09/654489509.db2.gz VLQCFUFHNVPPBH-UHFFFAOYSA-N 0 1 386.543 2.139 20 0 GEADMN CSCc1nnc(CNC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)[nH]1 ZINC000894601985 654489516 /nfs/dbraw/zinc/48/95/16/654489516.db2.gz VLQCFUFHNVPPBH-UHFFFAOYSA-N 0 1 386.543 2.139 20 0 GEADMN CSCc1n[nH]c(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)n1 ZINC000894603229 654489571 /nfs/dbraw/zinc/48/95/71/654489571.db2.gz OAOVTYGEFQSFNY-NSHDSACASA-N 0 1 383.271 2.050 20 0 GEADMN CSCc1nnc(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)[nH]1 ZINC000894603229 654489575 /nfs/dbraw/zinc/48/95/75/654489575.db2.gz OAOVTYGEFQSFNY-NSHDSACASA-N 0 1 383.271 2.050 20 0 GEADMN COCCN(CC(C)C)C(=O)c1cnc(I)c(O)c1 ZINC000873978651 654490397 /nfs/dbraw/zinc/49/03/97/654490397.db2.gz KZLXOPJHONYPMU-UHFFFAOYSA-N 0 1 378.210 2.136 20 0 GEADMN CSCc1n[nH]c(CNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000894610829 654490570 /nfs/dbraw/zinc/49/05/70/654490570.db2.gz YRWVAFWCRLLQQA-UHFFFAOYSA-N 0 1 385.280 2.481 20 0 GEADMN CSCc1nnc(CNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[nH]1 ZINC000894610829 654490572 /nfs/dbraw/zinc/49/05/72/654490572.db2.gz YRWVAFWCRLLQQA-UHFFFAOYSA-N 0 1 385.280 2.481 20 0 GEADMN O=C(NCCN1CCC(O)CC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000894624231 654491251 /nfs/dbraw/zinc/49/12/51/654491251.db2.gz UQQMTTNFWXTXOB-OAHLLOKOSA-N 0 1 398.301 2.029 20 0 GEADMN Cc1nc(S(=O)(=O)NCC[C@@H]2CC2(Cl)Cl)c(Br)n1C ZINC000856751917 654491529 /nfs/dbraw/zinc/49/15/29/654491529.db2.gz FFZHKJGRZKZVPW-SSDOTTSWSA-N 0 1 391.118 2.353 20 0 GEADMN Cn1ncc(I)c1CN1CCC2(CCOCC2)CC1 ZINC000894692255 654494473 /nfs/dbraw/zinc/49/44/73/654494473.db2.gz DBBAZUQOYIOPQM-UHFFFAOYSA-N 0 1 375.254 2.417 20 0 GEADMN Cn1ncc(I)c1CNC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000894788889 654499221 /nfs/dbraw/zinc/49/92/21/654499221.db2.gz CVYCIVTUXUAAJN-BBRMVZONSA-N 0 1 397.260 2.281 20 0 GEADMN CC(C)(C)OC(=O)c1ccc(CNCCS(=O)(=O)C2CCOCC2)s1 ZINC000894901352 654504345 /nfs/dbraw/zinc/50/43/45/654504345.db2.gz CDSDCGVCLJGAOV-UHFFFAOYSA-N 0 1 389.539 2.387 20 0 GEADMN CO[C@H](C(=O)N1CCC[C@H](c2nn[nH]n2)C1)c1ccc(Br)s1 ZINC000907106114 654510441 /nfs/dbraw/zinc/51/04/41/654510441.db2.gz ZVLAJOMMZBEPOZ-KWQFWETISA-N 0 1 386.275 2.117 20 0 GEADMN CCN(CC)CCN(C(=O)c1cc(Cl)cn1CC)[C@H]1CCS(=O)(=O)C1 ZINC000907137910 654513680 /nfs/dbraw/zinc/51/36/80/654513680.db2.gz RRACNFYEXZKXKJ-HNNXBMFYSA-N 0 1 389.949 2.133 20 0 GEADMN Cc1nc([C@H](C)NS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)n[nH]1 ZINC000907189522 654519234 /nfs/dbraw/zinc/51/92/34/654519234.db2.gz ZNACAXRWXLMGHJ-XPTSAGLGSA-N 0 1 399.314 2.414 20 0 GEADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cn(C)nc1I ZINC000907196346 654519419 /nfs/dbraw/zinc/51/94/19/654519419.db2.gz DFHPUNMMHPQFFU-UHFFFAOYSA-N 0 1 381.124 2.246 20 0 GEADMN CCc1nc(CNS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)n[nH]1 ZINC000907214552 654520763 /nfs/dbraw/zinc/52/07/63/654520763.db2.gz WRIOUOBZICRMMW-ZDUSSCGKSA-N 0 1 399.314 2.107 20 0 GEADMN CN(C)c1ccnc(CNC(=O)NCC2(n3cc(Br)cn3)CC2)c1 ZINC000924677723 654522346 /nfs/dbraw/zinc/52/23/46/654522346.db2.gz OOLMMODGGJMSOL-UHFFFAOYSA-N 0 1 393.289 2.095 20 0 GEADMN O=S(=O)(c1c[nH]c2c1cccc2Br)N1CC[C@H](c2nc[nH]n2)C1 ZINC000907253172 654524185 /nfs/dbraw/zinc/52/41/85/654524185.db2.gz NHAYEKRPMFRIBF-VIFPVBQESA-N 0 1 396.270 2.227 20 0 GEADMN CCOc1ccc([C@]2(C(=O)NC[C@@H]3C[C@@H](O)CN3C)CC2(Cl)Cl)cc1 ZINC000924991976 654530920 /nfs/dbraw/zinc/53/09/20/654530920.db2.gz NZSJYINANNEGCK-VBQJREDUSA-N 0 1 387.307 2.082 20 0 GEADMN CCN1CC[C@@H]1CN1C(=O)[C@H](c2cc(OC)ccc2Br)N(C)C1=O ZINC000925097473 654533850 /nfs/dbraw/zinc/53/38/50/654533850.db2.gz PTLWDDRKXACXPE-ABAIWWIYSA-N 0 1 396.285 2.487 20 0 GEADMN CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000925141319 654534720 /nfs/dbraw/zinc/53/47/20/654534720.db2.gz CONLWURNLODVAW-UKRRQHHQSA-N 0 1 382.917 2.401 20 0 GEADMN CN1CC[C@H]1CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000925405214 654543979 /nfs/dbraw/zinc/54/39/79/654543979.db2.gz VZINJHDNLGANFE-ZDUSSCGKSA-N 0 1 383.290 2.111 20 0 GEADMN CN1CC[C@H]1CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000925424791 654544330 /nfs/dbraw/zinc/54/43/30/654544330.db2.gz ZQUKWMHZOWRTTB-ZDUSSCGKSA-N 0 1 396.289 2.155 20 0 GEADMN C[S@](=O)(=NS(=O)(=O)NC[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1F ZINC000907468956 654545889 /nfs/dbraw/zinc/54/58/89/654545889.db2.gz FQBTWTGGTLYKIC-FFISXVJXSA-N 0 1 376.475 2.074 20 0 GEADMN C[S@](=O)(=NS(=O)(=O)NC[C@H]1CC[C@@H](C2CC2)O1)c1ccccc1F ZINC000907468958 654545898 /nfs/dbraw/zinc/54/58/98/654545898.db2.gz FQBTWTGGTLYKIC-VFDKELDYSA-N 0 1 376.475 2.074 20 0 GEADMN C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccnn1CC1CCC1 ZINC000925605217 654546659 /nfs/dbraw/zinc/54/66/59/654546659.db2.gz DCVLYNCXFYJHTP-UKRRQHHQSA-N 0 1 383.539 2.230 20 0 GEADMN O=C(CCOc1ccccc1Br)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000907478389 654547485 /nfs/dbraw/zinc/54/74/85/654547485.db2.gz UZDMGTVNUPRXDS-LLVKDONJSA-N 0 1 398.286 2.048 20 0 GEADMN C[C@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cn(C)cn1 ZINC000925667434 654547786 /nfs/dbraw/zinc/54/77/86/654547786.db2.gz YKBVGKBNMRSNLB-NSHDSACASA-N 0 1 377.388 2.443 20 0 GEADMN COc1cc(C)c(Br)cc1C(=O)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000907479557 654547800 /nfs/dbraw/zinc/54/78/00/654547800.db2.gz LKJUZNKAHIWICI-LLVKDONJSA-N 0 1 398.286 2.210 20 0 GEADMN Cc1c(Br)cccc1CC(=O)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000907480123 654547827 /nfs/dbraw/zinc/54/78/27/654547827.db2.gz QAROJXCVZMZWAO-GFCCVEGCSA-N 0 1 382.287 2.130 20 0 GEADMN C[C@@H](C(=O)N1CCSC[C@H]1c1nn[nH]n1)c1cccc(Br)c1 ZINC000907479919 654547841 /nfs/dbraw/zinc/54/78/41/654547841.db2.gz JONLKHZLVBOXEV-SKDRFNHKSA-N 0 1 382.287 2.382 20 0 GEADMN Cc1nc(SC(F)F)sc1CC(=O)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907481067 654548161 /nfs/dbraw/zinc/54/81/61/654548161.db2.gz YOOUBCUNLQHTFU-ZETCQYMHSA-N 0 1 392.482 2.139 20 0 GEADMN Cc1nc(SC(F)F)sc1CC(=O)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000907481066 654548208 /nfs/dbraw/zinc/54/82/08/654548208.db2.gz YOOUBCUNLQHTFU-SSDOTTSWSA-N 0 1 392.482 2.139 20 0 GEADMN Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NC[C@]1(C(F)(F)F)CCCN1 ZINC000925852309 654551618 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/nfs/dbraw/zinc/93/91/53/532939153.db2.gz FOBAXSXCTQXFHG-WBMJQRKESA-N 0 1 391.737 2.308 20 0 GEADMN CN1CCN(C)[C@H](CNC(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000294441427 532939418 /nfs/dbraw/zinc/93/94/18/532939418.db2.gz AZUKGOWOZGAZOL-SECBINFHSA-N 0 1 378.673 2.217 20 0 GEADMN COC(=O)CC1(CS(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000370258022 532942841 /nfs/dbraw/zinc/94/28/41/532942841.db2.gz ZZYNPQNXMUEFJL-BBRMVZONSA-N 0 1 386.539 2.004 20 0 GEADMN CN(C(=O)[C@]1(C)CC1(Cl)Cl)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000370886247 532945786 /nfs/dbraw/zinc/94/57/86/532945786.db2.gz NIEDZKNXBIWWJS-INIZCTEOSA-N 0 1 376.328 2.116 20 0 GEADMN Cn1cc([C@@H]2[C@@H](CNC(=O)c3cncc(Br)c3)CCCN2C)cn1 ZINC000370918045 532945984 /nfs/dbraw/zinc/94/59/84/532945984.db2.gz QEWCXJAJQGRZJM-WBMJQRKESA-N 0 1 392.301 2.391 20 0 GEADMN CN1CCN(C[C@@H]2CCCN(S(=O)(=O)c3cc(F)cc(Cl)c3)C2)CC1 ZINC000371419436 532948081 /nfs/dbraw/zinc/94/80/81/532948081.db2.gz UUHCMHLUELNVKU-AWEZNQCLSA-N 0 1 389.924 2.127 20 0 GEADMN CCS[C@@H](C(=O)N1CCC[C@@H](c2[nH]ncc2NS(C)(=O)=O)C1)C(C)C ZINC000371616365 532948821 /nfs/dbraw/zinc/94/88/21/532948821.db2.gz NACBLCLSQOTUDG-IUODEOHRSA-N 0 1 388.559 2.265 20 0 GEADMN COc1ccc(Br)c(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000371245025 532947426 /nfs/dbraw/zinc/94/74/26/532947426.db2.gz RYGSZCVFKNRELN-DLBZAZTESA-N 0 1 397.313 2.058 20 0 GEADMN CCCN(CC)c1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)cn1 ZINC000186661346 570310869 /nfs/dbraw/zinc/31/08/69/570310869.db2.gz QQVBDODZFYYVLY-KRWDZBQOSA-N 0 1 376.501 2.329 20 0 GEADMN Fc1ccc2c(c1)nccc2N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000737667201 598829545 /nfs/dbraw/zinc/82/95/45/598829545.db2.gz NHSRMGOGECKTAM-UHFFFAOYSA-N 0 1 376.399 2.276 20 0 GEADMN CCn1cc(CN(C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cn1 ZINC000736721369 598872709 /nfs/dbraw/zinc/87/27/09/598872709.db2.gz FBBGVAHYRAGGAP-UHFFFAOYSA-N 0 1 388.863 2.197 20 0 GEADMN O=C(CN(CCc1cccc(F)c1)C1CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737862914 598873463 /nfs/dbraw/zinc/87/34/63/598873463.db2.gz DGJYSAZMVOLVJR-UHFFFAOYSA-N 0 1 394.454 2.329 20 0 GEADMN C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1 ZINC000736757059 598906139 /nfs/dbraw/zinc/90/61/39/598906139.db2.gz NSJYXLAFZBTHIN-HNNXBMFYSA-N 0 1 397.508 2.441 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCSc1nc(C(C)(C)C)n[nH]1 ZINC000737032789 598938042 /nfs/dbraw/zinc/93/80/42/598938042.db2.gz QFQDLQHJWIADLF-UHFFFAOYSA-N 0 1 375.458 2.462 20 0 GEADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(OCC(C)C)nc1 ZINC000737225731 598950414 /nfs/dbraw/zinc/95/04/14/598950414.db2.gz QKCUWRJZBDOQSD-UHFFFAOYSA-N 0 1 388.453 2.406 20 0 GEADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC1([NH+]2CCCCC2)CCOCC1 ZINC000738437113 598971813 /nfs/dbraw/zinc/97/18/13/598971813.db2.gz MKVPEEWTFJLDMR-UHFFFAOYSA-N 0 1 394.483 2.257 20 0 GEADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC1([NH+]2CCCCC2)CCOCC1 ZINC000738437113 598971814 /nfs/dbraw/zinc/97/18/14/598971814.db2.gz MKVPEEWTFJLDMR-UHFFFAOYSA-N 0 1 394.483 2.257 20 0 GEADMN CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736530595 598985852 /nfs/dbraw/zinc/98/58/52/598985852.db2.gz KNVAPEIHLMTQKU-UHFFFAOYSA-N 0 1 381.440 2.235 20 0 GEADMN CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736530595 598985854 /nfs/dbraw/zinc/98/58/54/598985854.db2.gz KNVAPEIHLMTQKU-UHFFFAOYSA-N 0 1 381.440 2.235 20 0 GEADMN CCO[C@H]1C[C@H](N(C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736612235 598994363 /nfs/dbraw/zinc/99/43/63/598994363.db2.gz MJKOWHVIYNTPCG-ROUUACIJSA-N 0 1 398.511 2.153 20 0 GEADMN CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612302 598994381 /nfs/dbraw/zinc/99/43/81/598994381.db2.gz NHLXNKWLOYNEHE-SJORKVTESA-N 0 1 384.484 2.475 20 0 GEADMN Cc1nc([C@@H]2CCCN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000737473620 599072501 /nfs/dbraw/zinc/07/25/01/599072501.db2.gz FBQGSFYQKATMHU-CVEARBPZSA-N 0 1 397.508 2.346 20 0 GEADMN NC(=O)[C@@H](NCCCSc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735380 599087237 /nfs/dbraw/zinc/08/72/37/599087237.db2.gz COXKPBKMUKYLJM-INIZCTEOSA-N 0 1 386.456 2.304 20 0 GEADMN CN(C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)[C@@H]1CCCN(C)C1 ZINC000736854703 599091008 /nfs/dbraw/zinc/09/10/08/599091008.db2.gz FIXKSTZOWCSSBO-CQSZACIVSA-N 0 1 396.451 2.205 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(CCOC[C@@H]2CCCO2)c2ccc(Cl)cc12 ZINC000823658004 599126228 /nfs/dbraw/zinc/12/62/28/599126228.db2.gz XYVSVCAZFXYENB-LBPRGKRZSA-N 0 1 375.816 2.031 20 0 GEADMN CN(CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736804793 599133315 /nfs/dbraw/zinc/13/33/15/599133315.db2.gz WEOLTSLLLJBFRJ-MRXNPFEDSA-N 0 1 394.435 2.203 20 0 GEADMN COc1ccc(OCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000821842961 599135517 /nfs/dbraw/zinc/13/55/17/599135517.db2.gz WXSDMGGXPHKSBP-UHFFFAOYSA-N 0 1 380.452 2.076 20 0 GEADMN O=c1c(-c2nn[nH]n2)cn(C[C@H]2CCCOC2)c2ccc(Br)cc12 ZINC000823657147 607259360 /nfs/dbraw/zinc/25/93/60/607259360.db2.gz OKXFPUHGGYMPIF-SNVBAGLBSA-N 0 1 390.241 2.371 20 0 GEADMN C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[NH+]2CCC(C(=O)[O-])CC2)C1=O ZINC000739068951 596913436 /nfs/dbraw/zinc/91/34/36/596913436.db2.gz JSFNUASLDIADCR-KRWDZBQOSA-N 0 1 399.369 2.227 20 0 GEADMN Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000740241174 597003085 /nfs/dbraw/zinc/00/30/85/597003085.db2.gz XUVHYYXDLITEDT-WMZOPIPTSA-N 0 1 381.436 2.075 20 0 GEADMN COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000676232434 597078299 /nfs/dbraw/zinc/07/82/99/597078299.db2.gz BUTVBMGVSOUXKL-GJZGRUSLSA-N 0 1 378.469 2.376 20 0 GEADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818339311 597080293 /nfs/dbraw/zinc/08/02/93/597080293.db2.gz OBHAJKHWAYKFOA-HOTGVXAUSA-N 0 1 389.496 2.221 20 0 GEADMN O=C([O-])c1ccc(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000819188557 597215012 /nfs/dbraw/zinc/21/50/12/597215012.db2.gz TXNPAIXXHPIZMJ-UHFFFAOYSA-N 0 1 383.448 2.216 20 0 GEADMN O=C([O-])c1ccc(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000819181628 597215681 /nfs/dbraw/zinc/21/56/81/597215681.db2.gz NHKPKHIOQUAOHG-UHFFFAOYSA-N 0 1 382.464 2.006 20 0 GEADMN CC[C@@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000567260277 597222863 /nfs/dbraw/zinc/22/28/63/597222863.db2.gz CONKMFWGYZCALT-MRXNPFEDSA-N 0 1 375.469 2.369 20 0 GEADMN Cc1c(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)cccc1-c1nn[nH]n1 ZINC000822104564 607292833 /nfs/dbraw/zinc/29/28/33/607292833.db2.gz PDYRFPZJUDWIMP-UHFFFAOYSA-N 0 1 375.396 2.282 20 0 GEADMN Cc1c(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)cccc1-c1nn[nH]n1 ZINC000822104564 607292834 /nfs/dbraw/zinc/29/28/34/607292834.db2.gz PDYRFPZJUDWIMP-UHFFFAOYSA-N 0 1 375.396 2.282 20 0 GEADMN CCN(c1ccc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1)C(C)C ZINC000821239461 607307835 /nfs/dbraw/zinc/30/78/35/607307835.db2.gz BNERWZCFIMFOBK-CQSZACIVSA-N 0 1 381.488 2.452 20 0 GEADMN C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000818475419 597523866 /nfs/dbraw/zinc/52/38/66/597523866.db2.gz AGRBLKKUPGZVCA-MRXNPFEDSA-N 0 1 387.480 2.323 20 0 GEADMN O=C([O-])[C@H]1CCN(Cn2nc(C[NH+]3CCCC3)n(-c3ccccc3)c2=S)C1 ZINC000819292161 597537365 /nfs/dbraw/zinc/53/73/65/597537365.db2.gz ACGPIBRGVLHDOF-HNNXBMFYSA-N 0 1 387.509 2.363 20 0 GEADMN C[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000820115073 597707323 /nfs/dbraw/zinc/70/73/23/597707323.db2.gz SWTMMSWCFPEDNT-GOEBONIOSA-N 0 1 387.480 2.021 20 0 GEADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000821530131 598068565 /nfs/dbraw/zinc/06/85/65/598068565.db2.gz APPVUTWSTAHUNI-QGZVFWFLSA-N 0 1 389.452 2.023 20 0 GEADMN O=S(=O)(Nc1ccc(SC(F)F)nc1)c1cccc(-c2nn[nH]n2)c1 ZINC000823589058 607326781 /nfs/dbraw/zinc/32/67/81/607326781.db2.gz KJMPEWGZSXIAAY-UHFFFAOYSA-N 0 1 384.393 2.377 20 0 GEADMN COc1cc(F)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000821720767 607327986 /nfs/dbraw/zinc/32/79/86/607327986.db2.gz XIWXAWFPUJFGDJ-UHFFFAOYSA-N 0 1 385.327 2.093 20 0 GEADMN CCOc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)ccc1OCC(=O)N1CCCCC1 ZINC000820382968 598129323 /nfs/dbraw/zinc/12/93/23/598129323.db2.gz KLIJNBFRPYMFEI-KRWDZBQOSA-N 0 1 390.480 2.383 20 0 GEADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000649463529 598141322 /nfs/dbraw/zinc/14/13/22/598141322.db2.gz VVKXFGSPXCYIDA-UHFFFAOYSA-N 0 1 381.432 2.415 20 0 GEADMN C[C@@H]1CCC[C@@H](N(C)CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247497 598232886 /nfs/dbraw/zinc/23/28/86/598232886.db2.gz FEXHQWUJHGIVNR-OWDMVUQNSA-N 0 1 397.483 2.102 20 0 GEADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736908621 598249855 /nfs/dbraw/zinc/24/98/55/598249855.db2.gz HBXCISNCTBRLNA-QRTARXTBSA-N 0 1 380.452 2.426 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000735635738 598257208 /nfs/dbraw/zinc/25/72/08/598257208.db2.gz HSJXBHSTXDWUJC-LBPRGKRZSA-N 0 1 376.436 2.352 20 0 GEADMN CC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1nc(C)cs1 ZINC000736362971 598261450 /nfs/dbraw/zinc/26/14/50/598261450.db2.gz LMYDPEHJLYTWCY-SNVBAGLBSA-N 0 1 391.482 2.335 20 0 GEADMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000735905938 598263218 /nfs/dbraw/zinc/26/32/18/598263218.db2.gz NRYWWVDIJLWUDO-OAHLLOKOSA-N 0 1 385.472 2.356 20 0 GEADMN c1ccc(CCNc2nnc(Sc3nccnc3-c3nn[nH]n3)s2)cc1 ZINC000738432196 598340161 /nfs/dbraw/zinc/34/01/61/598340161.db2.gz DMMZHICLIUGBTG-UHFFFAOYSA-N 0 1 383.466 2.314 20 0 GEADMN Cc1csc(N2CCN(CCOc3ccccc3-c3nn[nH]n3)C[C@@H]2C)n1 ZINC000737451929 598365063 /nfs/dbraw/zinc/36/50/63/598365063.db2.gz HCWJMJVSNXJKGH-AWEZNQCLSA-N 0 1 385.497 2.221 20 0 GEADMN Cc1cnn(CC2CCN([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737445203 598368304 /nfs/dbraw/zinc/36/83/04/598368304.db2.gz PUEJTLRNUIBAPE-HNNXBMFYSA-N 0 1 394.483 2.111 20 0 GEADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@H](Nc2ccccc2)C1 ZINC000735561230 598373704 /nfs/dbraw/zinc/37/37/04/598373704.db2.gz JRUMOAZHGLRNQV-HOCLYGCPSA-N 0 1 377.452 2.380 20 0 GEADMN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736472768 598410767 /nfs/dbraw/zinc/41/07/67/598410767.db2.gz ZCQXFNRCGHFIMY-NSHDSACASA-N 0 1 392.485 2.111 20 0 GEADMN COc1ccc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1OC ZINC000737065184 598504221 /nfs/dbraw/zinc/50/42/21/598504221.db2.gz CHZLTJJVNWZHEI-UHFFFAOYSA-N 0 1 391.387 2.082 20 0 GEADMN COc1ccc(COCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737096509 598505659 /nfs/dbraw/zinc/50/56/59/598505659.db2.gz CHFDWRUQEMGEHF-UHFFFAOYSA-N 0 1 394.479 2.214 20 0 GEADMN CCCO[C@@H]1CCCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736489613 598507046 /nfs/dbraw/zinc/50/70/46/598507046.db2.gz XRUHRWGQTRSWFF-MSOLQXFVSA-N 0 1 384.484 2.253 20 0 GEADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738146874 598562736 /nfs/dbraw/zinc/56/27/36/598562736.db2.gz SEQOGTZHIMCPRK-NEPJUHHUSA-N 0 1 393.398 2.216 20 0 GEADMN O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737874863 598614960 /nfs/dbraw/zinc/61/49/60/598614960.db2.gz AKFQPPMAJZVQLC-QGZVFWFLSA-N 0 1 392.467 2.255 20 0 GEADMN O=C(C[N@H+]1CCC[C@@H]1C1CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737874863 598614961 /nfs/dbraw/zinc/61/49/61/598614961.db2.gz AKFQPPMAJZVQLC-QGZVFWFLSA-N 0 1 392.467 2.255 20 0 GEADMN Cc1ccnc(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)C2)c1 ZINC000737437694 598671964 /nfs/dbraw/zinc/67/19/64/598671964.db2.gz PQVVACJRCMLCCC-CQSZACIVSA-N 0 1 376.468 2.392 20 0 GEADMN C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000736848947 598685391 /nfs/dbraw/zinc/68/53/91/598685391.db2.gz PMLIRUMETNPBAU-CYBMUJFWSA-N 0 1 396.426 2.480 20 0 GEADMN C[N@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000736848947 598685392 /nfs/dbraw/zinc/68/53/92/598685392.db2.gz PMLIRUMETNPBAU-CYBMUJFWSA-N 0 1 396.426 2.480 20 0 GEADMN C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000736848947 598685393 /nfs/dbraw/zinc/68/53/93/598685393.db2.gz PMLIRUMETNPBAU-CYBMUJFWSA-N 0 1 396.426 2.480 20 0 GEADMN C[N@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000736848947 598685395 /nfs/dbraw/zinc/68/53/95/598685395.db2.gz PMLIRUMETNPBAU-CYBMUJFWSA-N 0 1 396.426 2.480 20 0 GEADMN O=C(COc1cccc(-c2nn[nH]n2)c1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737925501 598697624 /nfs/dbraw/zinc/69/76/24/598697624.db2.gz USBVLRHQPPOFDB-UHFFFAOYSA-N 0 1 383.799 2.092 20 0 GEADMN C[C@H]1Cc2ccccc2N1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736296229 598719529 /nfs/dbraw/zinc/71/95/29/598719529.db2.gz GTKDUUFVJQOXRJ-ZDUSSCGKSA-N 0 1 386.415 2.159 20 0 GEADMN Cc1ccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1F ZINC000737357702 598719650 /nfs/dbraw/zinc/71/96/50/598719650.db2.gz RUBANNHHPPWPBN-UHFFFAOYSA-N 0 1 378.367 2.268 20 0 GEADMN CCCN(CCC)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736473516 598720853 /nfs/dbraw/zinc/72/08/53/598720853.db2.gz RIYOHPDZCUREGA-UHFFFAOYSA-N 0 1 388.859 2.484 20 0 GEADMN C[C@H]1CCCCN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736267128 598720903 /nfs/dbraw/zinc/72/09/03/598720903.db2.gz LYQICOXMCOOVCG-NSHDSACASA-N 0 1 386.843 2.236 20 0 GEADMN C[C@H]1c2ccccc2OCCN1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305028 598763328 /nfs/dbraw/zinc/76/33/28/598763328.db2.gz SAQNSHHFALFWMT-HOCLYGCPSA-N 0 1 381.436 2.062 20 0 GEADMN CCCN(CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC)C1CC1 ZINC000736471818 598766141 /nfs/dbraw/zinc/76/61/41/598766141.db2.gz WYYQSNHFCLQCJN-UHFFFAOYSA-N 0 1 389.504 2.134 20 0 GEADMN CCc1cc(CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)n[nH]1 ZINC000736676678 598768934 /nfs/dbraw/zinc/76/89/34/598768934.db2.gz RVOYLVMUDNRVBL-UHFFFAOYSA-N 0 1 390.407 2.270 20 0 GEADMN COC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736981390 598821089 /nfs/dbraw/zinc/82/10/89/598821089.db2.gz ZICLZNLLYBWLIT-NEPJUHHUSA-N 0 1 378.864 2.206 20 0 GEADMN O=C1C[C@H](N2CCC3(C2)CCCCC3)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301610 599333972 /nfs/dbraw/zinc/33/39/72/599333972.db2.gz PMJXGWLEYKTAGO-INIZCTEOSA-N 0 1 380.452 2.155 20 0 GEADMN CC(C)[C@H](CNc1ccc(Br)cc1-c1nn[nH]n1)N1CCOCC1 ZINC000735710515 599360921 /nfs/dbraw/zinc/36/09/21/599360921.db2.gz UUZLUCNNVOSBMS-HNNXBMFYSA-N 0 1 395.305 2.398 20 0 GEADMN C[C@@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(Cl)c1 ZINC000820274319 599381700 /nfs/dbraw/zinc/38/17/00/599381700.db2.gz HCBWFYRBZJCEFH-MEDUHNTESA-N 0 1 386.843 2.104 20 0 GEADMN Clc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)N1CCOCC1 ZINC000822586351 599399680 /nfs/dbraw/zinc/39/96/80/599399680.db2.gz WFIZZJYFVMRAEY-MRXNPFEDSA-N 0 1 388.859 2.276 20 0 GEADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)COc1ccc(C(F)(F)F)cc1 ZINC000823689558 599415975 /nfs/dbraw/zinc/41/59/75/599415975.db2.gz HULDPOWREZCGLX-NSHDSACASA-N 0 1 383.330 2.008 20 0 GEADMN Clc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)N2CCOCC2)c1 ZINC000822586259 599432223 /nfs/dbraw/zinc/43/22/23/599432223.db2.gz VRZWEFWRVMZRPR-MRXNPFEDSA-N 0 1 388.859 2.276 20 0 GEADMN Cc1cc(CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c2ccccc2n1 ZINC000737262250 599445502 /nfs/dbraw/zinc/44/55/02/599445502.db2.gz LHTSJKGVNIYJLE-UHFFFAOYSA-N 0 1 386.463 2.441 20 0 GEADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820427140 599451278 /nfs/dbraw/zinc/45/12/78/599451278.db2.gz PHZNREMWDDIVND-LLVKDONJSA-N 0 1 375.429 2.260 20 0 GEADMN C[C@@H](NCc1cccc(-c2nn[nH]n2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820431380 599451555 /nfs/dbraw/zinc/45/15/55/599451555.db2.gz FEBSJIBUFRTCFL-LLVKDONJSA-N 0 1 375.429 2.260 20 0 GEADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736238735 599478609 /nfs/dbraw/zinc/47/86/09/599478609.db2.gz ZVVXCAAAYSSCPF-KBXCAEBGSA-N 0 1 394.454 2.500 20 0 GEADMN CCOc1cc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)ccc1OC ZINC000736625141 599491210 /nfs/dbraw/zinc/49/12/10/599491210.db2.gz KHRDLXLZEDCVJY-UHFFFAOYSA-N 0 1 379.424 2.212 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000737187760 599495058 /nfs/dbraw/zinc/49/50/58/599495058.db2.gz UESWNGXPMNKZLM-XPTSAGLGSA-N 0 1 382.449 2.353 20 0 GEADMN CSc1ccc(OCCN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000821984348 599565082 /nfs/dbraw/zinc/56/50/82/599565082.db2.gz NPHKBSLIWOBPKL-UHFFFAOYSA-N 0 1 397.508 2.185 20 0 GEADMN Cn1cc(C2CCN(Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC2)cn1 ZINC000737606082 599579292 /nfs/dbraw/zinc/57/92/92/599579292.db2.gz QNLKLXRXPFRWRY-UHFFFAOYSA-N 0 1 389.467 2.301 20 0 GEADMN COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821890694 599643214 /nfs/dbraw/zinc/64/32/14/599643214.db2.gz OBZKOFUALRAYHQ-AWEZNQCLSA-N 0 1 380.452 2.377 20 0 GEADMN O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1)OCCC1CC1 ZINC000823061126 599650923 /nfs/dbraw/zinc/65/09/23/599650923.db2.gz XCTOYULRZDSAAU-UHFFFAOYSA-N 0 1 389.359 2.422 20 0 GEADMN CCCC[C@H](C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000736979501 599705778 /nfs/dbraw/zinc/70/57/78/599705778.db2.gz ODYBHRBHTAOUNR-GFCCVEGCSA-N 0 1 394.415 2.054 20 0 GEADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000263121894 599707703 /nfs/dbraw/zinc/70/77/03/599707703.db2.gz DNLKXUFSWAHOGD-CRAIPNDOSA-N 0 1 393.915 2.390 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000736283432 599718673 /nfs/dbraw/zinc/71/86/73/599718673.db2.gz LLIHVXMLSRBFRW-CYBMUJFWSA-N 0 1 377.441 2.170 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000736283432 599718674 /nfs/dbraw/zinc/71/86/74/599718674.db2.gz LLIHVXMLSRBFRW-CYBMUJFWSA-N 0 1 377.441 2.170 20 0 GEADMN C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000737438327 599719342 /nfs/dbraw/zinc/71/93/42/599719342.db2.gz LMRMDNXAUKWTSJ-CJMVGXJBSA-N 0 1 376.478 2.124 20 0 GEADMN CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000737169964 599720063 /nfs/dbraw/zinc/72/00/63/599720063.db2.gz KAMPLLLEYMCMIK-HZPDHXFCSA-N 0 1 379.457 2.153 20 0 GEADMN CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000737169962 599720203 /nfs/dbraw/zinc/72/02/03/599720203.db2.gz KAMPLLLEYMCMIK-CVEARBPZSA-N 0 1 379.457 2.153 20 0 GEADMN CC[N@@H+](Cc1ccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)cc1)C(C)C ZINC000737105781 599751555 /nfs/dbraw/zinc/75/15/55/599751555.db2.gz DDTCGYIDWFQLQZ-UHFFFAOYSA-N 0 1 390.480 2.397 20 0 GEADMN O=C([O-])NCCCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000739960248 599751879 /nfs/dbraw/zinc/75/18/79/599751879.db2.gz WKIPKVOYJZBNJR-UHFFFAOYSA-N 0 1 382.892 2.016 20 0 GEADMN C[N@@H+](CCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000567860568 599764780 /nfs/dbraw/zinc/76/47/80/599764780.db2.gz QRGRNRPHXSRDQA-UHFFFAOYSA-N 0 1 381.476 2.275 20 0 GEADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000736204198 599769969 /nfs/dbraw/zinc/76/99/69/599769969.db2.gz HMLKDWLXFFZULT-MRXNPFEDSA-N 0 1 391.487 2.045 20 0 GEADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000736204198 599769971 /nfs/dbraw/zinc/76/99/71/599769971.db2.gz HMLKDWLXFFZULT-MRXNPFEDSA-N 0 1 391.487 2.045 20 0 GEADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000736204198 599769972 /nfs/dbraw/zinc/76/99/72/599769972.db2.gz HMLKDWLXFFZULT-MRXNPFEDSA-N 0 1 391.487 2.045 20 0 GEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736776233 599780051 /nfs/dbraw/zinc/78/00/51/599780051.db2.gz VBHAHGXSDFKTIO-GASCZTMLSA-N 0 1 384.498 2.081 20 0 GEADMN CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736951862 599784501 /nfs/dbraw/zinc/78/45/01/599784501.db2.gz ITJIKSXSXOVBDO-HNNXBMFYSA-N 0 1 375.469 2.260 20 0 GEADMN CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736951862 599784504 /nfs/dbraw/zinc/78/45/04/599784504.db2.gz ITJIKSXSXOVBDO-HNNXBMFYSA-N 0 1 375.469 2.260 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C)c1C(=O)[O-] ZINC000738237021 599785492 /nfs/dbraw/zinc/78/54/92/599785492.db2.gz RDECZHJKYDLQKE-LSDHHAIUSA-N 0 1 377.485 2.385 20 0 GEADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C)c1C(=O)[O-] ZINC000738237021 599785494 /nfs/dbraw/zinc/78/54/94/599785494.db2.gz RDECZHJKYDLQKE-LSDHHAIUSA-N 0 1 377.485 2.385 20 0 GEADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000737864649 599788189 /nfs/dbraw/zinc/78/81/89/599788189.db2.gz UCFCZUOIQYBIFB-KRWDZBQOSA-N 0 1 386.448 2.085 20 0 GEADMN CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCCCCC(=O)[O-])c2C1 ZINC000736354828 599790460 /nfs/dbraw/zinc/79/04/60/599790460.db2.gz LRDVJRSXFLGBGA-AWEZNQCLSA-N 0 1 375.469 2.356 20 0 GEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000736774917 599795584 /nfs/dbraw/zinc/79/55/84/599795584.db2.gz LDEAJDRVCBSMBK-TXEJJXNPSA-N 0 1 381.860 2.356 20 0 GEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736776265 599795919 /nfs/dbraw/zinc/79/59/19/599795919.db2.gz VJYFUKAZUJJCLZ-TXEJJXNPSA-N 0 1 381.860 2.356 20 0 GEADMN O=C([O-])CCSCc1cccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000739753925 599822911 /nfs/dbraw/zinc/82/29/11/599822911.db2.gz GSIXIEORVBYDPS-IAGOWNOFSA-N 0 1 393.509 2.379 20 0 GEADMN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736931647 599839680 /nfs/dbraw/zinc/83/96/80/599839680.db2.gz HOVFCDXFFCPVGS-MGPUTAFESA-N 0 1 389.452 2.139 20 0 GEADMN CC(C)C[C@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000736412098 599866642 /nfs/dbraw/zinc/86/66/42/599866642.db2.gz LKYCFSKEBJDIAY-PKOBYXMFSA-N 0 1 380.460 2.187 20 0 GEADMN O=C([O-])CSCc1cccc(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000739873530 599892692 /nfs/dbraw/zinc/89/26/92/599892692.db2.gz DFVHULVUUNIXOF-UHFFFAOYSA-N 0 1 383.539 2.013 20 0 GEADMN CC[N@@H+](CCNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)C(C)C ZINC000737104125 599897088 /nfs/dbraw/zinc/89/70/88/599897088.db2.gz QHENFZGWPDSDSW-INIZCTEOSA-N 0 1 376.501 2.335 20 0 GEADMN C[NH+]1CCN([C@@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737514897 599905147 /nfs/dbraw/zinc/90/51/47/599905147.db2.gz CTPASBAKKOTUQT-HXUWFJFHSA-N 0 1 383.448 2.077 20 0 GEADMN CC1(C)CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000572720933 599908462 /nfs/dbraw/zinc/90/84/62/599908462.db2.gz HKYTYPSRKOWGBA-UHFFFAOYSA-N 0 1 395.459 2.446 20 0 GEADMN CC1(C)CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000572720933 599908465 /nfs/dbraw/zinc/90/84/65/599908465.db2.gz HKYTYPSRKOWGBA-UHFFFAOYSA-N 0 1 395.459 2.446 20 0 GEADMN O=C([O-])c1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000740165736 599921410 /nfs/dbraw/zinc/92/14/10/599921410.db2.gz PXTIBGQFOKUFCG-SFHVURJKSA-N 0 1 383.448 2.187 20 0 GEADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000738274442 599933631 /nfs/dbraw/zinc/93/36/31/599933631.db2.gz DKMCLXDNEZUXPH-UHFFFAOYSA-N 0 1 389.477 2.031 20 0 GEADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000736751204 599957354 /nfs/dbraw/zinc/95/73/54/599957354.db2.gz UNIGWCIQUKQHNY-XHSDSOJGSA-N 0 1 377.485 2.429 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000738521735 599957490 /nfs/dbraw/zinc/95/74/90/599957490.db2.gz ZPEGYDHNDVBUIW-RDJZCZTQSA-N 0 1 397.479 2.411 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736810620 599959932 /nfs/dbraw/zinc/95/99/32/599959932.db2.gz PGKFTGIKOHEGBR-OXJNMPFZSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736810620 599959934 /nfs/dbraw/zinc/95/99/34/599959934.db2.gz PGKFTGIKOHEGBR-OXJNMPFZSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736808951 599959968 /nfs/dbraw/zinc/95/99/68/599959968.db2.gz LGIUWXPAIDWYLP-JXFKEZNVSA-N 0 1 397.475 2.063 20 0 GEADMN C[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736808951 599959970 /nfs/dbraw/zinc/95/99/70/599959970.db2.gz LGIUWXPAIDWYLP-JXFKEZNVSA-N 0 1 397.475 2.063 20 0 GEADMN CC(C)[N@H+](C)CC1CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736454483 599963476 /nfs/dbraw/zinc/96/34/76/599963476.db2.gz GHVPMBKCQNTSEJ-UHFFFAOYSA-N 0 1 376.501 2.445 20 0 GEADMN CC(C)[N@@H+](C)CC1CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736454483 599963478 /nfs/dbraw/zinc/96/34/78/599963478.db2.gz GHVPMBKCQNTSEJ-UHFFFAOYSA-N 0 1 376.501 2.445 20 0 GEADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(OCC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408207 599980482 /nfs/dbraw/zinc/98/04/82/599980482.db2.gz KEFWTHYOXMFCIX-MRXNPFEDSA-N 0 1 399.451 2.347 20 0 GEADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(OCC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408206 599980671 /nfs/dbraw/zinc/98/06/71/599980671.db2.gz KEFWTHYOXMFCIX-INIZCTEOSA-N 0 1 399.451 2.347 20 0 GEADMN O=C([O-])c1csc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000740270938 599986427 /nfs/dbraw/zinc/98/64/27/599986427.db2.gz IRBHTQNICXZTNO-HNNXBMFYSA-N 0 1 394.518 2.289 20 0 GEADMN Cc1c(C(=O)[O-])sc2nc(C)nc(NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)c12 ZINC000738363916 599992745 /nfs/dbraw/zinc/99/27/45/599992745.db2.gz PWKRWRCOFRXGAW-GFCCVEGCSA-N 0 1 391.497 2.006 20 0 GEADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C[C@H](C)O1 ZINC000736806621 600013976 /nfs/dbraw/zinc/01/39/76/600013976.db2.gz JZUXWCYALBVSHB-KBPBESRZSA-N 0 1 375.469 2.298 20 0 GEADMN C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC3CCC(C(=O)[O-])CC3)c2)CCO1 ZINC000736814075 600019805 /nfs/dbraw/zinc/01/98/05/600019805.db2.gz HXEHTTSMMOOECF-MNNVXMFVSA-N 0 1 389.496 2.350 20 0 GEADMN C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC3CCC(C(=O)[O-])CC3)c2)CCO1 ZINC000736814075 600019808 /nfs/dbraw/zinc/01/98/08/600019808.db2.gz HXEHTTSMMOOECF-MNNVXMFVSA-N 0 1 389.496 2.350 20 0 GEADMN CCN(CC(=O)[O-])Cn1nc(C[NH+]2CCCC2)n(-c2ccccc2)c1=S ZINC000737079115 600027974 /nfs/dbraw/zinc/02/79/74/600027974.db2.gz JWEPXJPCSZFOAU-UHFFFAOYSA-N 0 1 375.498 2.363 20 0 GEADMN CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736454512 600028317 /nfs/dbraw/zinc/02/83/17/600028317.db2.gz HSWQZYWDFVMXTI-UHFFFAOYSA-N 0 1 398.525 2.281 20 0 GEADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000736790106 600035003 /nfs/dbraw/zinc/03/50/03/600035003.db2.gz UCARUTAYOFSSLC-QAPCUYQASA-N 0 1 375.469 2.056 20 0 GEADMN COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000738050264 600049987 /nfs/dbraw/zinc/04/99/87/600049987.db2.gz WOYKTPCSYUANTA-IFXJQAMLSA-N 0 1 398.459 2.393 20 0 GEADMN Cc1cccc(C[C@H](CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])c1 ZINC000738697864 600064366 /nfs/dbraw/zinc/06/43/66/600064366.db2.gz CMXKZKGLIFFGGT-PIKOESSRSA-N 0 1 390.524 2.488 20 0 GEADMN Cc1cccc(C[C@H](CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])c1 ZINC000738697864 600064368 /nfs/dbraw/zinc/06/43/68/600064368.db2.gz CMXKZKGLIFFGGT-PIKOESSRSA-N 0 1 390.524 2.488 20 0 GEADMN Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000739043986 600067957 /nfs/dbraw/zinc/06/79/57/600067957.db2.gz VENYOOYGHDEYTA-AZUAARDMSA-N 0 1 394.475 2.455 20 0 GEADMN Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000739043986 600067961 /nfs/dbraw/zinc/06/79/61/600067961.db2.gz VENYOOYGHDEYTA-AZUAARDMSA-N 0 1 394.475 2.455 20 0 GEADMN CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1)C(=O)[O-] ZINC000736879849 600077717 /nfs/dbraw/zinc/07/77/17/600077717.db2.gz RSJNJMPQTXQQIH-ZAAXVRCTSA-N 0 1 395.544 2.105 20 0 GEADMN C[C@@H](C[N@H+](CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O)C1CC1)C(=O)[O-] ZINC000736578593 600078193 /nfs/dbraw/zinc/07/81/93/600078193.db2.gz NINFASPIRAUJIO-YPMLDQLKSA-N 0 1 397.834 2.389 20 0 GEADMN C[C@@H](C[N@@H+](CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O)C1CC1)C(=O)[O-] ZINC000736578593 600078196 /nfs/dbraw/zinc/07/81/96/600078196.db2.gz NINFASPIRAUJIO-YPMLDQLKSA-N 0 1 397.834 2.389 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000738520020 600084295 /nfs/dbraw/zinc/08/42/95/600084295.db2.gz UEJHPPOTZJCVDK-GOEBONIOSA-N 0 1 397.479 2.438 20 0 GEADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000738520020 600084298 /nfs/dbraw/zinc/08/42/98/600084298.db2.gz UEJHPPOTZJCVDK-GOEBONIOSA-N 0 1 397.479 2.438 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)c1C(=O)[O-] ZINC000738234634 600086305 /nfs/dbraw/zinc/08/63/05/600086305.db2.gz FJZKFOXAOFCGOA-ZIAGYGMSSA-N 0 1 385.468 2.318 20 0 GEADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)c1C(=O)[O-] ZINC000738234634 600086306 /nfs/dbraw/zinc/08/63/06/600086306.db2.gz FJZKFOXAOFCGOA-ZIAGYGMSSA-N 0 1 385.468 2.318 20 0 GEADMN CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000737155392 600110636 /nfs/dbraw/zinc/11/06/36/600110636.db2.gz NKGWYMYLPGVHAJ-GOSISDBHSA-N 0 1 385.416 2.317 20 0 GEADMN CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000737155392 600110639 /nfs/dbraw/zinc/11/06/39/600110639.db2.gz NKGWYMYLPGVHAJ-GOSISDBHSA-N 0 1 385.416 2.317 20 0 GEADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](CCCO)CC(C)(C)C ZINC000737505744 600110646 /nfs/dbraw/zinc/11/06/46/600110646.db2.gz OXOXLENKTUPEDX-GOSISDBHSA-N 0 1 389.496 2.452 20 0 GEADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)C(=O)[O-] ZINC000736880264 600128398 /nfs/dbraw/zinc/12/83/98/600128398.db2.gz VQMVZJKBTAHCCR-KSSFIOAISA-N 0 1 399.495 2.267 20 0 GEADMN COC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)sc2c1CC[C@H](C)C2 ZINC000737653111 600140098 /nfs/dbraw/zinc/14/00/98/600140098.db2.gz YEANVKOJPQKWHK-NWDGAFQWSA-N 0 1 394.493 2.395 20 0 GEADMN COC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)sc2c1CC[C@H](C)C2 ZINC000737653111 600140099 /nfs/dbraw/zinc/14/00/99/600140099.db2.gz YEANVKOJPQKWHK-NWDGAFQWSA-N 0 1 394.493 2.395 20 0 GEADMN CCCc1c(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737042918 600166417 /nfs/dbraw/zinc/16/64/17/600166417.db2.gz WTVYGGYVZGEQRP-INIZCTEOSA-N 0 1 390.528 2.216 20 0 GEADMN CCCc1c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737042921 600166855 /nfs/dbraw/zinc/16/68/55/600166855.db2.gz WTVYGGYVZGEQRP-MRXNPFEDSA-N 0 1 390.528 2.216 20 0 GEADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccc(O)cc1 ZINC000739498922 600172975 /nfs/dbraw/zinc/17/29/75/600172975.db2.gz NPWIIIXQTSNUAR-ICSRJNTNSA-N 0 1 382.460 2.416 20 0 GEADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC([N@H+](C)C[C@@H](C)O)CC3)c12 ZINC000583937200 600214923 /nfs/dbraw/zinc/21/49/23/600214923.db2.gz CZXCOZSURDORCU-SNVBAGLBSA-N 0 1 378.498 2.288 20 0 GEADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000736466160 600220962 /nfs/dbraw/zinc/22/09/62/600220962.db2.gz PSOITMBBMPAKAA-UHFFFAOYSA-N 0 1 399.894 2.308 20 0 GEADMN C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000737358451 600226543 /nfs/dbraw/zinc/22/65/43/600226543.db2.gz MNYHWASCBYOPOX-QGZVFWFLSA-N 0 1 380.441 2.246 20 0 GEADMN CCOCC[N@H+]1CCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@@H]1CC ZINC000737176870 600270119 /nfs/dbraw/zinc/27/01/19/600270119.db2.gz SFRWXBPESVXHMA-INIZCTEOSA-N 0 1 393.484 2.036 20 0 GEADMN CCOCC[N@H+]1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@@H]1CC ZINC000737176064 600270166 /nfs/dbraw/zinc/27/01/66/600270166.db2.gz HPIWOAOJCNMISM-SFHVURJKSA-N 0 1 377.485 2.070 20 0 GEADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000736784272 600284951 /nfs/dbraw/zinc/28/49/51/600284951.db2.gz KEHZBUXGAFSCNE-MSOLQXFVSA-N 0 1 379.545 2.477 20 0 GEADMN CC(C)C[C@H]1COCC[N@@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000736427506 600286448 /nfs/dbraw/zinc/28/64/48/600286448.db2.gz UDGXFTVQXQWRNT-QFBILLFUSA-N 0 1 387.480 2.468 20 0 GEADMN CC(C)C[C@H]1COCC[N@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000736427506 600286449 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HUAYLVBOBACRGZ-MRXNPFEDSA-N 0 1 377.510 2.215 20 0 GEADMN O=C([O-])N1CC[C@@H](N(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C2CC2)C1 ZINC000831922983 605870796 /nfs/dbraw/zinc/87/07/96/605870796.db2.gz WILNDCVTFYQRCH-RTBURBONSA-N 0 1 387.480 2.021 20 0 GEADMN O=C([O-])N1CC[C@@H](N(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C2CC2)C1 ZINC000831922983 605870800 /nfs/dbraw/zinc/87/08/00/605870800.db2.gz WILNDCVTFYQRCH-RTBURBONSA-N 0 1 387.480 2.021 20 0 GEADMN C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000833614902 605888940 /nfs/dbraw/zinc/88/89/40/605888940.db2.gz XEOQGTFWEIZKQY-VXGBXAGGSA-N 0 1 381.860 2.213 20 0 GEADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000422567075 605901131 /nfs/dbraw/zinc/90/11/31/605901131.db2.gz VUECIOYNSMKHCE-OKILXGFUSA-N 0 1 375.469 2.196 20 0 GEADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833614468 605902926 /nfs/dbraw/zinc/90/29/26/605902926.db2.gz NNHYJRBYKXIWLZ-GFCCVEGCSA-N 0 1 379.432 2.089 20 0 GEADMN CC(C)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c(C(=O)[O-])c1 ZINC000833510470 605921796 /nfs/dbraw/zinc/92/17/96/605921796.db2.gz KHWUHPKDGDVGSW-QGZVFWFLSA-N 0 1 375.469 2.245 20 0 GEADMN CC(C)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c(C(=O)[O-])c1 ZINC000833510470 605921800 /nfs/dbraw/zinc/92/18/00/605921800.db2.gz KHWUHPKDGDVGSW-QGZVFWFLSA-N 0 1 375.469 2.245 20 0 GEADMN C[C@H](CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000833514924 605929265 /nfs/dbraw/zinc/92/92/65/605929265.db2.gz GBUBRZGTJPPNRB-OAHLLOKOSA-N 0 1 383.448 2.350 20 0 GEADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000833596177 605939008 /nfs/dbraw/zinc/93/90/08/605939008.db2.gz JGFKHTRPWWKGDR-ZFWWWQNUSA-N 0 1 399.422 2.242 20 0 GEADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000833919477 605966107 /nfs/dbraw/zinc/96/61/07/605966107.db2.gz XKCMKHZIMYCENH-XJKSGUPXSA-N 0 1 386.456 2.153 20 0 GEADMN O=C([O-])N1CC[C@@H](CCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000833989697 605990177 /nfs/dbraw/zinc/99/01/77/605990177.db2.gz GOCHTECCECXTOI-VQIMIIECSA-N 0 1 389.496 2.040 20 0 GEADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000834158115 606007540 /nfs/dbraw/zinc/00/75/40/606007540.db2.gz MOEPRVOXVZQFGG-CNCYXEHGSA-N 0 1 386.496 2.377 20 0 GEADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000834158115 606007541 /nfs/dbraw/zinc/00/75/41/606007541.db2.gz MOEPRVOXVZQFGG-CNCYXEHGSA-N 0 1 386.496 2.377 20 0 GEADMN C[C@@H](NC(=O)Nc1cnn(-c2ccncc2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820380758 606161706 /nfs/dbraw/zinc/16/17/06/606161706.db2.gz ZMTLKNNHIIJJEL-GFCCVEGCSA-N 0 1 375.396 2.330 20 0 GEADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000822027891 606238962 /nfs/dbraw/zinc/23/89/62/606238962.db2.gz KIJSGQKLANHZMN-UHFFFAOYSA-N 0 1 397.508 2.315 20 0 GEADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(-c4nn[nH]n4)cn3C)[nH]c2c1 ZINC000822271275 606239053 /nfs/dbraw/zinc/23/90/53/606239053.db2.gz UPDIRKHKVJACTI-HNNXBMFYSA-N 0 1 376.424 2.367 20 0 GEADMN O=C(NCc1cnc[nH]1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823229325 606278868 /nfs/dbraw/zinc/27/88/68/606278868.db2.gz LQVOWBNPKFULFW-UHFFFAOYSA-N 0 1 375.392 2.099 20 0 GEADMN C[C@@H](NC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)c1nnc[nH]1 ZINC000820397723 606289913 /nfs/dbraw/zinc/28/99/13/606289913.db2.gz RTOLFUGKGSPTPT-LLVKDONJSA-N 0 1 375.396 2.219 20 0 GEADMN C[C@@H](N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc2c(c1)OCO2 ZINC000820420961 606299477 /nfs/dbraw/zinc/29/94/77/606299477.db2.gz YQBZXSJOYMVRJP-MFKMUULPSA-N 0 1 398.448 2.113 20 0 GEADMN CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1N1CCCC1 ZINC000445741314 649965305 /nfs/dbraw/zinc/96/53/05/649965305.db2.gz HDAZSPMDLCYLNN-UONOGXRCSA-N 0 1 380.457 2.304 20 0 GEADMN CN(CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1)Cc1ccc(F)cc1 ZINC000821602811 606366156 /nfs/dbraw/zinc/36/61/56/606366156.db2.gz 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C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820431230 606421573 /nfs/dbraw/zinc/42/15/73/606421573.db2.gz BYXBKQNONPQQHA-WMLDXEAASA-N 0 1 384.509 2.307 20 0 GEADMN CCOCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821377891 606488822 /nfs/dbraw/zinc/48/88/22/606488822.db2.gz HXENEYDRDVACEL-CYBMUJFWSA-N 0 1 396.442 2.011 20 0 GEADMN O=C(CCC1CCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822950515 606523357 /nfs/dbraw/zinc/52/33/57/606523357.db2.gz RGLKLDVXQJXEED-UHFFFAOYSA-N 0 1 397.439 2.344 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)cc1-c1nn[nH]n1 ZINC000821970153 606585023 /nfs/dbraw/zinc/58/50/23/606585023.db2.gz JEMOHEFUNOFJBK-RYUDHWBXSA-N 0 1 392.510 2.189 20 0 GEADMN C[C@H]1CCCCN1CC(N)=NOCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820703676 606595053 /nfs/dbraw/zinc/59/50/53/606595053.db2.gz JNFZPLWOEAXPOC-NSHDSACASA-N 0 1 395.414 2.341 20 0 GEADMN CN(C)[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccsc1 ZINC000821580057 606668741 /nfs/dbraw/zinc/66/87/41/606668741.db2.gz XWSCMSHAHMMEJW-ZDUSSCGKSA-N 0 1 378.408 2.239 20 0 GEADMN Cc1ccc(-c2nc(NC(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)n[nH]2)cc1 ZINC000822214310 606683626 /nfs/dbraw/zinc/68/36/26/606683626.db2.gz ZPJMJCFMDMDFSL-UHFFFAOYSA-N 0 1 382.334 2.491 20 0 GEADMN CC(C)Cn1cnc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)c1 ZINC000820112231 606710252 /nfs/dbraw/zinc/71/02/52/606710252.db2.gz NUFNPNQQMVFERE-UHFFFAOYSA-N 0 1 381.849 2.173 20 0 GEADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820820702 606724308 /nfs/dbraw/zinc/72/43/08/606724308.db2.gz PLRQARUWZAFGBJ-AAEUAGOBSA-N 0 1 392.460 2.310 20 0 GEADMN c1cc(-c2nn[nH]n2)ccc1CN1CCCN(c2nnc(C3CC3)s2)CC1 ZINC000823742915 606757429 /nfs/dbraw/zinc/75/74/29/606757429.db2.gz NNRMLKJKXWNXNP-UHFFFAOYSA-N 0 1 382.497 2.308 20 0 GEADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)NCC1(c2ccccc2)CCCCC1 ZINC000823123389 606825939 /nfs/dbraw/zinc/82/59/39/606825939.db2.gz XXLOCSLEPFSGKX-UHFFFAOYSA-N 0 1 392.463 2.047 20 0 GEADMN O=C(NCCc1nc[nH]n1)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823229436 606835039 /nfs/dbraw/zinc/83/50/39/606835039.db2.gz RHFPBEHTFVZRJJ-UHFFFAOYSA-N 0 1 391.395 2.141 20 0 GEADMN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822496378 606860961 /nfs/dbraw/zinc/86/09/61/606860961.db2.gz KYMZRXQNGPYEMF-LSDHHAIUSA-N 0 1 387.875 2.433 20 0 GEADMN CCC[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000821040620 606861315 /nfs/dbraw/zinc/86/13/15/606861315.db2.gz NTPPKAROHAEVSI-JLTOFOAXSA-N 0 1 397.483 2.103 20 0 GEADMN O=S(=O)(Nc1cc(F)c(F)cc1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823583145 606866629 /nfs/dbraw/zinc/86/66/29/606866629.db2.gz IRYVJLUGKINVKT-UHFFFAOYSA-N 0 1 391.281 2.363 20 0 GEADMN FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000822723511 606877155 /nfs/dbraw/zinc/87/71/55/606877155.db2.gz HDVXEPRZLYZKRG-CHWSQXEVSA-N 0 1 397.405 2.336 20 0 GEADMN FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000822723517 606877216 /nfs/dbraw/zinc/87/72/16/606877216.db2.gz HDVXEPRZLYZKRG-OLZOCXBDSA-N 0 1 397.405 2.336 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN(C)Cc1cc(Cl)cn1C ZINC000821702603 606880857 /nfs/dbraw/zinc/88/08/57/606880857.db2.gz ZSOJWWLWDLKYOH-UHFFFAOYSA-N 0 1 376.848 2.378 20 0 GEADMN O=S(=O)(NCCCc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572109 606883853 /nfs/dbraw/zinc/88/38/53/606883853.db2.gz BOPQXMFZOAGFIN-UHFFFAOYSA-N 0 1 379.392 2.056 20 0 GEADMN O=S(=O)(N[C@@H]1C[C@H]1c1cccc(F)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573198 606889293 /nfs/dbraw/zinc/88/92/93/606889293.db2.gz RYJTXLMMVXOOLF-SMDDNHRTSA-N 0 1 395.366 2.118 20 0 GEADMN O=S(=O)(NC1(c2cccc(F)c2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823566371 606893198 /nfs/dbraw/zinc/89/31/98/606893198.db2.gz FGRUMHWDWCAIIJ-UHFFFAOYSA-N 0 1 395.366 2.252 20 0 GEADMN C[C@@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820634193 606893765 /nfs/dbraw/zinc/89/37/65/606893765.db2.gz FVBUCJKFSHZMIW-YOEHRIQHSA-N 0 1 391.403 2.153 20 0 GEADMN C[C@H]1N(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCOC1(C)C ZINC000820821657 606931429 /nfs/dbraw/zinc/93/14/29/606931429.db2.gz UHGFHUXCWCHQBQ-LLVKDONJSA-N 0 1 390.513 2.245 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000819939661 606967751 /nfs/dbraw/zinc/96/77/51/606967751.db2.gz HSJOOUWXVSZBHQ-ZDUSSCGKSA-N 0 1 376.436 2.352 20 0 GEADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000819939661 606967752 /nfs/dbraw/zinc/96/77/52/606967752.db2.gz HSJOOUWXVSZBHQ-ZDUSSCGKSA-N 0 1 376.436 2.352 20 0 GEADMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821571742 606978915 /nfs/dbraw/zinc/97/89/15/606978915.db2.gz CPGBTTYARGAODR-ZDUSSCGKSA-N 0 1 376.436 2.447 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4nccnc4-c4nnn[n-]4)CC[C@H]32)cc1 ZINC000823779327 607031886 /nfs/dbraw/zinc/03/18/86/607031886.db2.gz ANKBJYNUUFCXSZ-IAGOWNOFSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4nccnc4-c4nnn[n-]4)CC[C@H]32)cc1 ZINC000823779327 607031888 /nfs/dbraw/zinc/03/18/88/607031888.db2.gz ANKBJYNUUFCXSZ-IAGOWNOFSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4nccnc4-c4nn[n-]n4)CC[C@H]32)cc1 ZINC000823779327 607031890 /nfs/dbraw/zinc/03/18/90/607031890.db2.gz ANKBJYNUUFCXSZ-IAGOWNOFSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4nccnc4-c4nn[n-]n4)CC[C@H]32)cc1 ZINC000823779327 607031892 /nfs/dbraw/zinc/03/18/92/607031892.db2.gz ANKBJYNUUFCXSZ-IAGOWNOFSA-N 0 1 376.468 2.148 20 0 GEADMN Clc1cccc(N2CCN(CCNc3cccc(-c4nn[nH]n4)n3)CC2)c1 ZINC000822585749 607039302 /nfs/dbraw/zinc/03/93/02/607039302.db2.gz MLNMEDKEIBMCLH-UHFFFAOYSA-N 0 1 384.875 2.149 20 0 GEADMN C[C@]1(c2ccccc2)CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)CCO1 ZINC000820635275 607121962 /nfs/dbraw/zinc/12/19/62/607121962.db2.gz LUJVHRSGSFJDGV-OAQYLSRUSA-N 0 1 392.463 2.443 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2c2cccc(C)n2)cc1-c1nn[nH]n1 ZINC000821971243 607159525 /nfs/dbraw/zinc/15/95/25/607159525.db2.gz ZMWKDAOQPGOCKZ-AWEZNQCLSA-N 0 1 397.464 2.370 20 0 GEADMN CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CCN1CCOC ZINC000820989366 607199118 /nfs/dbraw/zinc/19/91/18/607199118.db2.gz REPSFXAOTGTANO-CYBMUJFWSA-N 0 1 393.879 2.095 20 0 GEADMN Cc1nc(N2CCN(CCOc3ccccc3-c3nn[nH]n3)CC2)sc1C ZINC000826327007 607830937 /nfs/dbraw/zinc/83/09/37/607830937.db2.gz OGUXQXNYOXYJBS-UHFFFAOYSA-N 0 1 385.497 2.141 20 0 GEADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826523221 607849956 /nfs/dbraw/zinc/84/99/56/607849956.db2.gz FQKFJVCWMNPLJX-INIZCTEOSA-N 0 1 393.495 2.496 20 0 GEADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826523221 607849957 /nfs/dbraw/zinc/84/99/57/607849957.db2.gz FQKFJVCWMNPLJX-INIZCTEOSA-N 0 1 393.495 2.496 20 0 GEADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc[nH]c(=O)c1Br ZINC000446104235 649972155 /nfs/dbraw/zinc/97/21/55/649972155.db2.gz SUYVCWUKRCYVOE-UHFFFAOYSA-N 0 1 391.269 2.339 20 0 GEADMN CC(=O)N1CC[C@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc21 ZINC000823972747 607939713 /nfs/dbraw/zinc/93/97/13/607939713.db2.gz GLVPMFIWHZGZBH-KRWDZBQOSA-N 0 1 388.435 2.102 20 0 GEADMN O=S(=O)(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492932 607985957 /nfs/dbraw/zinc/98/59/57/607985957.db2.gz LRSDSXFPXSOHIX-UHFFFAOYSA-N 0 1 391.363 2.481 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1-c1nnn[n-]1 ZINC000826077826 608019902 /nfs/dbraw/zinc/01/99/02/608019902.db2.gz XDFOHJGKEGEENH-AAEUAGOBSA-N 0 1 398.471 2.030 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1-c1nn[n-]n1 ZINC000826077826 608019903 /nfs/dbraw/zinc/01/99/03/608019903.db2.gz XDFOHJGKEGEENH-AAEUAGOBSA-N 0 1 398.471 2.030 20 0 GEADMN CCc1ccc(C(C)(C)C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825705188 608020168 /nfs/dbraw/zinc/02/01/68/608020168.db2.gz YHKVFODMQYIFFE-UHFFFAOYSA-N 0 1 396.499 2.221 20 0 GEADMN CCc1ccc(C(C)(C)C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825705188 608020169 /nfs/dbraw/zinc/02/01/69/608020169.db2.gz YHKVFODMQYIFFE-UHFFFAOYSA-N 0 1 396.499 2.221 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c(C)c(C)[nH]c32)c1-c1nnn[n-]1 ZINC000826083801 608022452 /nfs/dbraw/zinc/02/24/52/608022452.db2.gz QWHDZZLPMVAKEU-UHFFFAOYSA-N 0 1 393.455 2.092 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c(C)c(C)[nH]c32)c1-c1nn[n-]n1 ZINC000826083801 608022453 /nfs/dbraw/zinc/02/24/53/608022453.db2.gz QWHDZZLPMVAKEU-UHFFFAOYSA-N 0 1 393.455 2.092 20 0 GEADMN COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188179 608064684 /nfs/dbraw/zinc/06/46/84/608064684.db2.gz POYABQWNWGDFQR-ICSRJNTNSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188179 608064685 /nfs/dbraw/zinc/06/46/85/608064685.db2.gz POYABQWNWGDFQR-ICSRJNTNSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188179 608064686 /nfs/dbraw/zinc/06/46/86/608064686.db2.gz POYABQWNWGDFQR-ICSRJNTNSA-N 0 1 380.452 2.142 20 0 GEADMN COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188179 608064687 /nfs/dbraw/zinc/06/46/87/608064687.db2.gz POYABQWNWGDFQR-ICSRJNTNSA-N 0 1 380.452 2.142 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000826175460 608079221 /nfs/dbraw/zinc/07/92/21/608079221.db2.gz GGUKWVNEPPLTKD-GOSISDBHSA-N 0 1 394.479 2.243 20 0 GEADMN CN(C)Cc1ccsc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825870516 608089669 /nfs/dbraw/zinc/08/96/69/608089669.db2.gz PNQAOJDHZMGBPG-MRXNPFEDSA-N 0 1 398.492 2.204 20 0 GEADMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CCN1C ZINC000824857156 608200971 /nfs/dbraw/zinc/20/09/71/608200971.db2.gz BREWEWCFYSCHHF-ZIAGYGMSSA-N 0 1 393.451 2.219 20 0 GEADMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CCN1C ZINC000824857154 608201279 /nfs/dbraw/zinc/20/12/79/608201279.db2.gz BREWEWCFYSCHHF-KGLIPLIRSA-N 0 1 393.451 2.219 20 0 GEADMN Cc1cnc([C@H](C)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)o1 ZINC000826317788 608204943 /nfs/dbraw/zinc/20/49/43/608204943.db2.gz NLLQUMMXAUDURH-LBPRGKRZSA-N 0 1 396.411 2.294 20 0 GEADMN O=Cc1[nH]nc2cc(C(=O)OCCCOc3cccc(-c4nn[nH]n4)c3)ccc12 ZINC000826484199 608254858 /nfs/dbraw/zinc/25/48/58/608254858.db2.gz RSONQVBKLNUFQD-UHFFFAOYSA-N 0 1 392.375 2.181 20 0 GEADMN O=C(CCN1CCOC2(CCC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407247 608258937 /nfs/dbraw/zinc/25/89/37/608258937.db2.gz GUMVSHOPJVBIQC-UHFFFAOYSA-N 0 1 388.497 2.000 20 0 GEADMN O=C(C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N-]OCc1ccccc1 ZINC000826409640 608259588 /nfs/dbraw/zinc/25/95/88/608259588.db2.gz IMYBLDLRAGKUOK-UHFFFAOYSA-N 0 1 378.436 2.079 20 0 GEADMN COc1cccc([C@H](C)N2CCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826214466 608282887 /nfs/dbraw/zinc/28/28/87/608282887.db2.gz MQEWIYCWHUCHRH-HNNXBMFYSA-N 0 1 379.468 2.462 20 0 GEADMN COCC[N@H+](C)CCCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826157856 608304093 /nfs/dbraw/zinc/30/40/93/608304093.db2.gz ORWCROUQUDHZLM-UHFFFAOYSA-N 0 1 393.923 2.490 20 0 GEADMN COCC[N@@H+](C)CCCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826157856 608304094 /nfs/dbraw/zinc/30/40/94/608304094.db2.gz ORWCROUQUDHZLM-UHFFFAOYSA-N 0 1 393.923 2.490 20 0 GEADMN COCC[N@H+](C)CCCC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826157856 608304096 /nfs/dbraw/zinc/30/40/96/608304096.db2.gz ORWCROUQUDHZLM-UHFFFAOYSA-N 0 1 393.923 2.490 20 0 GEADMN COCC[N@@H+](C)CCCC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826157856 608304097 /nfs/dbraw/zinc/30/40/97/608304097.db2.gz ORWCROUQUDHZLM-UHFFFAOYSA-N 0 1 393.923 2.490 20 0 GEADMN CCC[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC[N@@H+]1CCOC ZINC000825259306 608304101 /nfs/dbraw/zinc/30/41/01/608304101.db2.gz ICBKWJLNXXMRQB-HNNXBMFYSA-N 0 1 381.484 2.352 20 0 GEADMN CCC[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC[N@H+]1CCOC ZINC000825259306 608304103 /nfs/dbraw/zinc/30/41/03/608304103.db2.gz ICBKWJLNXXMRQB-HNNXBMFYSA-N 0 1 381.484 2.352 20 0 GEADMN CCC[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[N@@H+]1CCOC ZINC000825259306 608304105 /nfs/dbraw/zinc/30/41/05/608304105.db2.gz ICBKWJLNXXMRQB-HNNXBMFYSA-N 0 1 381.484 2.352 20 0 GEADMN CCC[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[N@H+]1CCOC ZINC000825259306 608304106 /nfs/dbraw/zinc/30/41/06/608304106.db2.gz ICBKWJLNXXMRQB-HNNXBMFYSA-N 0 1 381.484 2.352 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826332518 608313229 /nfs/dbraw/zinc/31/32/29/608313229.db2.gz WRFHEZOZKYVDBB-WMLDXEAASA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826332518 608313230 /nfs/dbraw/zinc/31/32/30/608313230.db2.gz WRFHEZOZKYVDBB-WMLDXEAASA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332518 608313232 /nfs/dbraw/zinc/31/32/32/608313232.db2.gz WRFHEZOZKYVDBB-WMLDXEAASA-N 0 1 378.484 2.029 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332518 608313234 /nfs/dbraw/zinc/31/32/34/608313234.db2.gz WRFHEZOZKYVDBB-WMLDXEAASA-N 0 1 378.484 2.029 20 0 GEADMN CC1(C)c2ccccc2CCN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824816327 608330703 /nfs/dbraw/zinc/33/07/03/608330703.db2.gz CIFIOMUBRHXJJN-UHFFFAOYSA-N 0 1 376.464 2.276 20 0 GEADMN CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)CC(C)C ZINC000825419204 608335866 /nfs/dbraw/zinc/33/58/66/608335866.db2.gz KWLVOLIILNLFNS-UHFFFAOYSA-N 0 1 385.516 2.482 20 0 GEADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)CC(C)C ZINC000825419204 608335867 /nfs/dbraw/zinc/33/58/67/608335867.db2.gz KWLVOLIILNLFNS-UHFFFAOYSA-N 0 1 385.516 2.482 20 0 GEADMN CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)CC(C)C ZINC000825419204 608335869 /nfs/dbraw/zinc/33/58/69/608335869.db2.gz KWLVOLIILNLFNS-UHFFFAOYSA-N 0 1 385.516 2.482 20 0 GEADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)CC(C)C ZINC000825419204 608335871 /nfs/dbraw/zinc/33/58/71/608335871.db2.gz KWLVOLIILNLFNS-UHFFFAOYSA-N 0 1 385.516 2.482 20 0 GEADMN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825221099 608407685 /nfs/dbraw/zinc/40/76/85/608407685.db2.gz XZTHHUFINZTRGB-FUHWJXTLSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825221099 608407686 /nfs/dbraw/zinc/40/76/86/608407686.db2.gz XZTHHUFINZTRGB-FUHWJXTLSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825221099 608407687 /nfs/dbraw/zinc/40/76/87/608407687.db2.gz XZTHHUFINZTRGB-FUHWJXTLSA-N 0 1 392.511 2.419 20 0 GEADMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825221099 608407688 /nfs/dbraw/zinc/40/76/88/608407688.db2.gz XZTHHUFINZTRGB-FUHWJXTLSA-N 0 1 392.511 2.419 20 0 GEADMN O=C(CN[C@H](CCO)c1ccccc1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826412101 608432885 /nfs/dbraw/zinc/43/28/85/608432885.db2.gz BIDSDYCIQFPKNZ-OAHLLOKOSA-N 0 1 386.843 2.172 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nnn[n-]5)nn4)CC[C@@H]32)cc1 ZINC000826521380 608433717 /nfs/dbraw/zinc/43/37/17/608433717.db2.gz KDDHNZACEFTSEL-AEFFLSMTSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4ccc(-c5nnn[n-]5)nn4)CC[C@@H]32)cc1 ZINC000826521380 608433718 /nfs/dbraw/zinc/43/37/18/608433718.db2.gz KDDHNZACEFTSEL-AEFFLSMTSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[n-]n5)nn4)CC[C@@H]32)cc1 ZINC000826521380 608433719 /nfs/dbraw/zinc/43/37/19/608433719.db2.gz KDDHNZACEFTSEL-AEFFLSMTSA-N 0 1 376.468 2.148 20 0 GEADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[n-]n5)nn4)CC[C@@H]32)cc1 ZINC000826521380 608433720 /nfs/dbraw/zinc/43/37/20/608433720.db2.gz KDDHNZACEFTSEL-AEFFLSMTSA-N 0 1 376.468 2.148 20 0 GEADMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000826209443 608460540 /nfs/dbraw/zinc/46/05/40/608460540.db2.gz BWIUTVBHJWOHGU-LBPRGKRZSA-N 0 1 382.424 2.173 20 0 GEADMN C[C@@H](NCC(=O)NCCCOC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563150 608462316 /nfs/dbraw/zinc/46/23/16/608462316.db2.gz MGNHXXPUBUXPHP-OAHLLOKOSA-N 0 1 386.500 2.373 20 0 GEADMN C[C@@H](NCC(=O)NCCc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563813 608463813 /nfs/dbraw/zinc/46/38/13/608463813.db2.gz QHDHGWKRVGQYHJ-GFCCVEGCSA-N 0 1 386.406 2.154 20 0 GEADMN C[C@@H](NCC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555913 608466400 /nfs/dbraw/zinc/46/64/00/608466400.db2.gz YPJKKJCFUQHAJE-OHTICNEOSA-N 0 1 380.496 2.458 20 0 GEADMN C[C@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555801 608466540 /nfs/dbraw/zinc/46/65/40/608466540.db2.gz YFKSBTPLUMNNPI-FZMZJTMJSA-N 0 1 382.390 2.318 20 0 GEADMN Cc1cccc(OCCCNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826300035 608468214 /nfs/dbraw/zinc/46/82/14/608468214.db2.gz FHAGJRSBUQIAIQ-MRXNPFEDSA-N 0 1 394.479 2.411 20 0 GEADMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826290952 608469494 /nfs/dbraw/zinc/46/94/94/608469494.db2.gz IIQGONDYHBAKAC-CQSZACIVSA-N 0 1 393.451 2.482 20 0 GEADMN C[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(-c2nn[nH]n2)c1 ZINC000824611711 608483175 /nfs/dbraw/zinc/48/31/75/608483175.db2.gz DBZYPMKUWLKNRA-LLVKDONJSA-N 0 1 381.827 2.379 20 0 GEADMN C[C@@H]([NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)c1ccccc1 ZINC000824564842 608493287 /nfs/dbraw/zinc/49/32/87/608493287.db2.gz WSHOHKYDRKEFMS-CQSZACIVSA-N 0 1 388.435 2.342 20 0 GEADMN c1cc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1COC2 ZINC000826513951 608502806 /nfs/dbraw/zinc/50/28/06/608502806.db2.gz BSDBHCHNPOAHQR-UHFFFAOYSA-N 0 1 376.464 2.215 20 0 GEADMN CS(=O)(=O)Nc1cccc(CN(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826224019 608519240 /nfs/dbraw/zinc/51/92/40/608519240.db2.gz KQAZHSANAPTBOD-UHFFFAOYSA-N 0 1 398.492 2.403 20 0 GEADMN CN(Cc1ccccc1F)C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825981882 608532375 /nfs/dbraw/zinc/53/23/75/608532375.db2.gz ZJMZESROHBOGMV-UHFFFAOYSA-N 0 1 380.427 2.243 20 0 GEADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCCc1ccccc1 ZINC000826412205 608532629 /nfs/dbraw/zinc/53/26/29/608532629.db2.gz GJCMJJMMSDIWGG-UHFFFAOYSA-N 0 1 376.464 2.194 20 0 GEADMN CC(=O)c1ccc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000824024784 608533091 /nfs/dbraw/zinc/53/30/91/608533091.db2.gz PMRJGTJRXFIMLJ-UHFFFAOYSA-N 0 1 376.420 2.287 20 0 GEADMN COc1ccc(C)cc1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826190372 608533880 /nfs/dbraw/zinc/53/38/80/608533880.db2.gz ZBPNEIXAQHXQMK-UHFFFAOYSA-N 0 1 378.436 2.401 20 0 GEADMN CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccnc(-c4nnn[n-]4)c3)ccc2NC1=O ZINC000825219193 608538414 /nfs/dbraw/zinc/53/84/14/608538414.db2.gz HXGCZGSUBUWEHH-BDJLRTHQSA-N 0 1 379.424 2.222 20 0 GEADMN CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccnc(-c4nn[n-]n4)c3)ccc2NC1=O ZINC000825219193 608538415 /nfs/dbraw/zinc/53/84/15/608538415.db2.gz HXGCZGSUBUWEHH-BDJLRTHQSA-N 0 1 379.424 2.222 20 0 GEADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(c2cccnc2)CC1 ZINC000824046251 608583978 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C/C(=C/c1ccccc1)C[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000823943085 608837379 /nfs/dbraw/zinc/83/73/79/608837379.db2.gz MRWVGNDQPPDJSA-IRVMHKCDSA-N 0 1 376.468 2.271 20 0 GEADMN C/C(=C/c1ccccc1)C[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000823943085 608837381 /nfs/dbraw/zinc/83/73/81/608837381.db2.gz MRWVGNDQPPDJSA-IRVMHKCDSA-N 0 1 376.468 2.271 20 0 GEADMN C[C@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc(F)c1 ZINC000824548057 609168783 /nfs/dbraw/zinc/16/87/83/609168783.db2.gz USJZMOHZGDMCKH-YVEFUNNKSA-N 0 1 381.415 2.247 20 0 GEADMN C[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc(F)c1 ZINC000824548054 609168935 /nfs/dbraw/zinc/16/89/35/609168935.db2.gz USJZMOHZGDMCKH-PXAZEXFGSA-N 0 1 381.415 2.247 20 0 GEADMN Cc1ncc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826329549 609169304 /nfs/dbraw/zinc/16/93/04/609169304.db2.gz IBAJPJLMAGVXNU-ABAIWWIYSA-N 0 1 383.481 2.478 20 0 GEADMN COc1ccc(CN[C@H](CC(N)=O)c2cccc(Cl)c2)cc1-c1nn[nH]n1 ZINC000826203643 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2.318 20 0 GEADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)cc1F ZINC000446632433 649985485 /nfs/dbraw/zinc/98/54/85/649985485.db2.gz TWNPWVJSLPOZNT-XMMPIXPASA-N 0 1 385.438 2.292 20 0 GEADMN CC(C)[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[n-]s1)[NH+]1CCOCC1 ZINC000448008492 650012757 /nfs/dbraw/zinc/01/27/57/650012757.db2.gz GPCCFMMLYUKPFH-CYBMUJFWSA-N 0 1 381.527 2.167 20 0 GEADMN COC[C@H](O)CNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449155527 650033374 /nfs/dbraw/zinc/03/33/74/650033374.db2.gz LUBJZHFMQMXWMT-GFCCVEGCSA-N 0 1 388.251 2.063 20 0 GEADMN O=S1(=O)CCCC[C@H]1CNCc1ccc(I)cc1 ZINC000449236729 650035084 /nfs/dbraw/zinc/03/50/84/650035084.db2.gz ZFJWOZOQUHEDQV-ZDUSSCGKSA-N 0 1 379.263 2.348 20 0 GEADMN CC(C)NS(=O)(=O)CCN[C@@H]1CCc2c1ccc(F)c2Br ZINC000449131329 650032281 /nfs/dbraw/zinc/03/22/81/650032281.db2.gz LWRXTOSTNOXJIS-CYBMUJFWSA-N 0 1 379.295 2.493 20 0 GEADMN CC(C)NS(=O)(=O)CCN[C@H]1CCc2c1ccc(F)c2Br ZINC000449131330 650032283 /nfs/dbraw/zinc/03/22/83/650032283.db2.gz LWRXTOSTNOXJIS-ZDUSSCGKSA-N 0 1 379.295 2.493 20 0 GEADMN COC[C@@](C)(O)CCNCc1ncc(Br)cc1Br ZINC000449387967 650039344 /nfs/dbraw/zinc/03/93/44/650039344.db2.gz YTJMIJQVGWFTKL-LBPRGKRZSA-N 0 1 382.096 2.484 20 0 GEADMN CC[C@@H](NCc1cc(Br)cc(Br)c1N)C(=O)NC ZINC000449767228 650049097 /nfs/dbraw/zinc/04/90/97/650049097.db2.gz AKFPJVRAVOXXFE-SNVBAGLBSA-N 0 1 379.096 2.408 20 0 GEADMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449847844 650053684 /nfs/dbraw/zinc/05/36/84/650053684.db2.gz HKWOJCWYRJRDIX-XOKHGSTOSA-N 0 1 380.330 2.305 20 0 GEADMN OC[C@H](CNc1ncnc2[nH]cnc21)Cc1cc(Br)ccc1F ZINC000450851947 650072916 /nfs/dbraw/zinc/07/29/16/650072916.db2.gz YPEOZGPUOPZYQQ-VIFPVBQESA-N 0 1 380.221 2.469 20 0 GEADMN O=C1CC[C@@H](N2CCN(c3ncc(Br)cc3Cl)CC2)CCN1 ZINC000450893617 650074429 /nfs/dbraw/zinc/07/44/29/650074429.db2.gz SFBOBVJFNPNQRJ-GFCCVEGCSA-N 0 1 387.709 2.288 20 0 GEADMN COCc1ccccc1CS(=O)(=O)Nc1ccc(C)cc1S(C)(=O)=O ZINC000451109164 650087647 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CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000452101407 650173484 /nfs/dbraw/zinc/17/34/84/650173484.db2.gz GLRFYQJCDPASDL-GFCCVEGCSA-N 0 1 381.420 2.126 20 0 GEADMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC[C@H]2CCCCC2(F)F)c1 ZINC000452311364 650179429 /nfs/dbraw/zinc/17/94/29/650179429.db2.gz LFQFKVZRNMVHAP-LLVKDONJSA-N 0 1 376.425 2.198 20 0 GEADMN COc1cc(I)ccc1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000452354258 650181029 /nfs/dbraw/zinc/18/10/29/650181029.db2.gz VJJUPIVOFWAEQN-MRVPVSSYSA-N 0 1 398.204 2.162 20 0 GEADMN COc1cc(I)ccc1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000452354258 650181030 /nfs/dbraw/zinc/18/10/30/650181030.db2.gz VJJUPIVOFWAEQN-MRVPVSSYSA-N 0 1 398.204 2.162 20 0 GEADMN O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc(Cl)cc(Br)c1[O-] ZINC000452383599 650183441 /nfs/dbraw/zinc/18/34/41/650183441.db2.gz PCLJMODUNSBTBL-LLVKDONJSA-N 0 1 391.693 2.385 20 0 GEADMN O=C(NCC1=CCOCC1)c1n[nH]c2ccc(I)cc21 ZINC000452404567 650184744 /nfs/dbraw/zinc/18/47/44/650184744.db2.gz 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/nfs/dbraw/zinc/85/87/07/650858707.db2.gz SKVOBCUXTTYRIB-GXTWGEPZSA-N 0 1 390.299 2.066 20 0 GEADMN CCN1CCN(CC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000540257385 650861492 /nfs/dbraw/zinc/86/14/92/650861492.db2.gz UAOGECFTIZXILV-KDOFPFPSSA-N 0 1 398.345 2.279 20 0 GEADMN OC1(CN2CCOCC2)CCN(Cc2ccc(F)cc2Br)CC1 ZINC000540296546 650862598 /nfs/dbraw/zinc/86/25/98/650862598.db2.gz CNODFGMFJSUIBG-UHFFFAOYSA-N 0 1 387.293 2.247 20 0 GEADMN CC(C)N(C)S(=O)(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000128306155 643798631 /nfs/dbraw/zinc/79/86/31/643798631.db2.gz ZKEJNDJDCTUCLK-LBPRGKRZSA-N 0 1 377.392 2.088 20 0 GEADMN CCc1ncsc1NC(=O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000128568467 643804528 /nfs/dbraw/zinc/80/45/28/643804528.db2.gz UWKJVVRVRWXWPW-UHFFFAOYSA-N 0 1 382.555 2.122 20 0 GEADMN COC(=O)c1ncsc1S(=O)(=O)NCc1cccc(Br)c1 ZINC000128566119 643804565 /nfs/dbraw/zinc/80/45/65/643804565.db2.gz COPGSXSMWOSNJZ-UHFFFAOYSA-N 0 1 391.268 2.171 20 0 GEADMN CC(C)(O)CN1CCN(C(=O)CCc2cc(Br)ccc2F)CC1 ZINC000131036020 643860425 /nfs/dbraw/zinc/86/04/25/643860425.db2.gz TWKWYQVLEXFFBO-UHFFFAOYSA-N 0 1 387.293 2.436 20 0 GEADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000132715522 643885133 /nfs/dbraw/zinc/88/51/33/643885133.db2.gz ZLPFLAXFJDLSDT-ZJUUUORDSA-N 0 1 398.236 2.275 20 0 GEADMN CC(C)(O)CN1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000151399172 643942738 /nfs/dbraw/zinc/94/27/38/643942738.db2.gz YNRHFPAPYPLIGM-UHFFFAOYSA-N 0 1 376.320 2.109 20 0 GEADMN Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1Br ZINC000151830147 643955719 /nfs/dbraw/zinc/95/57/19/643955719.db2.gz OYSLPNQWRBJKHS-YPMHNXCESA-N 0 1 380.286 2.437 20 0 GEADMN COc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1Br ZINC000151916083 643961220 /nfs/dbraw/zinc/96/12/20/643961220.db2.gz PHUUDAMHWSBFDG-ZYHUDNBSSA-N 0 1 396.285 2.138 20 0 GEADMN CN(C)c1ccnc(NC(=O)CNC(=O)c2ccc(Br)s2)c1 ZINC000153207016 643980094 /nfs/dbraw/zinc/98/00/94/643980094.db2.gz PWVVTHZAFOLZCR-UHFFFAOYSA-N 0 1 383.271 2.340 20 0 GEADMN O=C(COc1ccc(Br)cc1)N1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000153701585 644002168 /nfs/dbraw/zinc/00/21/68/644002168.db2.gz JJXNCFOJQYNARS-IRXDYDNUSA-N 0 1 397.313 2.276 20 0 GEADMN Cc1cc(Br)cn2c(CNCC(=O)NCc3ccco3)cnc12 ZINC000542322182 650890217 /nfs/dbraw/zinc/89/02/17/650890217.db2.gz PBHKVXPERFUSLM-UHFFFAOYSA-N 0 1 377.242 2.404 20 0 GEADMN O=C(Cc1ccc(Br)c(F)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000156336901 644089969 /nfs/dbraw/zinc/08/99/69/644089969.db2.gz AIPGNNUNZIBWNP-AWEZNQCLSA-N 0 1 385.277 2.311 20 0 GEADMN Cc1ccc(O[C@H](C)C(=O)N(C)C[C@H](C)c2nn[nH]n2)c(Br)c1 ZINC000156546616 644102808 /nfs/dbraw/zinc/10/28/08/644102808.db2.gz ADZGEXBJRYBMDD-WDEREUQCSA-N 0 1 382.262 2.300 20 0 GEADMN C[C@@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@@H]2CCCC[C@H]21 ZINC000542975101 650896438 /nfs/dbraw/zinc/89/64/38/650896438.db2.gz IVQWTDHYLVWATF-PVXIVEMSSA-N 0 1 385.917 2.436 20 0 GEADMN Cc1cc(Br)oc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159299247 644184950 /nfs/dbraw/zinc/18/49/50/644184950.db2.gz MOCKBOBHDXWUEC-OAHLLOKOSA-N 0 1 393.281 2.500 20 0 GEADMN C[C@@H](CNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)N(C)C1CC1 ZINC000162958740 644242879 /nfs/dbraw/zinc/24/28/79/644242879.db2.gz IKYCCLPQSXZSOM-XHDPSFHLSA-N 0 1 385.917 2.293 20 0 GEADMN O=S1(=O)CCCC[C@H]1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000543237688 650904655 /nfs/dbraw/zinc/90/46/55/650904655.db2.gz DKPPQTXXHOIMLZ-LBPRGKRZSA-N 0 1 390.299 2.277 20 0 GEADMN CN1CC[C@H]2[C@H](CCCN2C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000164156924 644259887 /nfs/dbraw/zinc/25/98/87/644259887.db2.gz XYKGZMJAYVMORN-MNOVXSKESA-N 0 1 378.466 2.301 20 0 GEADMN O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1CCCc2[nH]ncc21 ZINC000166306548 644274451 /nfs/dbraw/zinc/27/44/51/644274451.db2.gz DVCJHZQHXIXZJH-RYUDHWBXSA-N 0 1 394.269 2.148 20 0 GEADMN COC(=O)c1cc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)c(C)o1 ZINC000167048917 644279817 /nfs/dbraw/zinc/27/98/17/644279817.db2.gz GAXCEWPQWPDOQX-UHFFFAOYSA-N 0 1 386.495 2.189 20 0 GEADMN COC[C@@H](C)NC(=O)NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000170779472 644285779 /nfs/dbraw/zinc/28/57/79/644285779.db2.gz DCPXJLLHOPJMQS-GFCCVEGCSA-N 0 1 398.301 2.279 20 0 GEADMN CN(Cc1nccn1C)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000543415972 650911379 /nfs/dbraw/zinc/91/13/79/650911379.db2.gz HRPUTKMFMBCESL-UHFFFAOYSA-N 0 1 375.226 2.296 20 0 GEADMN NC(=O)C1(CNC(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCCC1 ZINC000543432522 650911445 /nfs/dbraw/zinc/91/14/45/650911445.db2.gz KKBKEPXBHBYRCZ-UHFFFAOYSA-N 0 1 392.253 2.066 20 0 GEADMN CCOCCS(=O)(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000171078108 644306469 /nfs/dbraw/zinc/30/64/69/644306469.db2.gz DCUGJAKTERFKQM-UHFFFAOYSA-N 0 1 393.347 2.179 20 0 GEADMN CN1CC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CC1=O ZINC000171099751 644309160 /nfs/dbraw/zinc/30/91/60/644309160.db2.gz XFMZZPYNKLDKCB-SNVBAGLBSA-N 0 1 378.230 2.041 20 0 GEADMN Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3cccc(Br)c3)CCO2)n[nH]1 ZINC000173090729 644350563 /nfs/dbraw/zinc/35/05/63/644350563.db2.gz FFNZNIQSXPJARC-QMTHXVAHSA-N 0 1 395.257 2.243 20 0 GEADMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(F)(F)C(F)F ZINC000175499339 644390642 /nfs/dbraw/zinc/39/06/42/644390642.db2.gz AUVCIXXMBCXBMQ-UHFFFAOYSA-N 0 1 378.307 2.116 20 0 GEADMN C[C@@H]1CN=C(N2CCN(CCC(=O)NCc3ccccc3Cl)CC2)S1 ZINC000175789552 644393543 /nfs/dbraw/zinc/39/35/43/644393543.db2.gz VYISAFXWCBIVRJ-CQSZACIVSA-N 0 1 380.945 2.455 20 0 GEADMN COC(=O)CS(=O)(=O)Cc1ccc(CN[C@H](C)c2cnc(C)s2)cc1 ZINC000181317820 644530846 /nfs/dbraw/zinc/53/08/46/644530846.db2.gz PDBKGVUMJWAKTQ-GFCCVEGCSA-N 0 1 382.507 2.390 20 0 GEADMN COC(=O)[C@H](NS(=O)(=O)Cc1ccon1)c1ccc(Cl)cc1Cl ZINC000544105495 650934288 /nfs/dbraw/zinc/93/42/88/650934288.db2.gz RJUGWOZOYSKAML-GFCCVEGCSA-N 0 1 379.221 2.315 20 0 GEADMN O=C(NC[C@@H]1CCCCS1)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000544272570 650938835 /nfs/dbraw/zinc/93/88/35/650938835.db2.gz JSTPLLOQFGEVSQ-ZDUSSCGKSA-N 0 1 384.523 2.192 20 0 GEADMN C[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CC(=O)N1 ZINC000544594340 650945264 /nfs/dbraw/zinc/94/52/64/650945264.db2.gz KLXJPFDDFLKEBD-WCBMZHEXSA-N 0 1 378.230 2.087 20 0 GEADMN COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000544835617 650955272 /nfs/dbraw/zinc/95/52/72/650955272.db2.gz VQQIBXPNHYCUHO-GFCCVEGCSA-N 0 1 377.304 2.172 20 0 GEADMN CN(CCc1ccc(Br)cc1)CC(=O)NCC(=O)OC(C)(C)C ZINC000181858042 644950387 /nfs/dbraw/zinc/95/03/87/644950387.db2.gz XABIZMQSPWVKMV-UHFFFAOYSA-N 0 1 385.302 2.381 20 0 GEADMN COc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)nc1Br ZINC000182653373 644966602 /nfs/dbraw/zinc/96/66/02/644966602.db2.gz OVQKCWSQKIZFTK-VXGBXAGGSA-N 0 1 386.290 2.082 20 0 GEADMN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(F)(F)CO ZINC000184302795 645015985 /nfs/dbraw/zinc/01/59/85/645015985.db2.gz RSEHDLJRBVXQMB-UHFFFAOYSA-N 0 1 394.621 2.017 20 0 GEADMN C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1[O-] ZINC000184964296 645029845 /nfs/dbraw/zinc/02/98/45/645029845.db2.gz KAVVJUNZGJEUSZ-JTQLQIEISA-N 0 1 377.304 2.229 20 0 GEADMN CC(=O)c1cc(S(=O)(=O)Nc2ccc3nncn3c2)ccc1Br ZINC000185671046 645050832 /nfs/dbraw/zinc/05/08/32/645050832.db2.gz ICOSJKWCJCCKLO-UHFFFAOYSA-N 0 1 395.238 2.495 20 0 GEADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1cccnc1Br ZINC000186639263 645070434 /nfs/dbraw/zinc/07/04/34/645070434.db2.gz SAXFNTRKPKCAEK-UHFFFAOYSA-N 0 1 388.225 2.471 20 0 GEADMN O=C(NCCCCN1CCOCC1)c1cc(Br)ncc1Cl ZINC000187321150 645089142 /nfs/dbraw/zinc/08/91/42/645089142.db2.gz JIZICBBGOBEZFZ-UHFFFAOYSA-N 0 1 376.682 2.340 20 0 GEADMN Cc1ccc(CC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1Br ZINC000188305627 645112231 /nfs/dbraw/zinc/11/22/31/645112231.db2.gz INHCRIPWQSCWDQ-MRXNPFEDSA-N 0 1 381.314 2.481 20 0 GEADMN C[C@@H]1CN(C(=O)COc2ccccc2Br)CCN1CC(C)(C)O ZINC000188612765 645120903 /nfs/dbraw/zinc/12/09/03/645120903.db2.gz YRJFCNRWBRELQQ-CYBMUJFWSA-N 0 1 385.302 2.132 20 0 GEADMN Cc1nnc(SCC(=O)NNc2ccc([N+](=O)[O-])cc2Br)[nH]1 ZINC000188982661 645130189 /nfs/dbraw/zinc/13/01/89/645130189.db2.gz JAXDCQOIGPFNEU-UHFFFAOYSA-N 0 1 387.219 2.019 20 0 GEADMN Cc1n[nH]c(SCC(=O)NNc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000188982661 645130194 /nfs/dbraw/zinc/13/01/94/645130194.db2.gz JAXDCQOIGPFNEU-UHFFFAOYSA-N 0 1 387.219 2.019 20 0 GEADMN CC[C@H](CO)N1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190606700 645160592 /nfs/dbraw/zinc/16/05/92/645160592.db2.gz OJMSHZVKQCCOTD-PBHICJAKSA-N 0 1 386.323 2.487 20 0 GEADMN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000190835147 645166017 /nfs/dbraw/zinc/16/60/17/645166017.db2.gz RURSFKWSLVLJTP-MRXNPFEDSA-N 0 1 390.933 2.226 20 0 GEADMN O=S(=O)([N-]CC(F)(F)F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000192009057 645190229 /nfs/dbraw/zinc/19/02/29/645190229.db2.gz LJBUCGGTZZKCMM-UHFFFAOYSA-N 0 1 385.839 2.244 20 0 GEADMN O=S(=O)([N-]CC(F)(F)F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000192009057 645190232 /nfs/dbraw/zinc/19/02/32/645190232.db2.gz LJBUCGGTZZKCMM-UHFFFAOYSA-N 0 1 385.839 2.244 20 0 GEADMN CN1C(=O)C[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000192157341 645197221 /nfs/dbraw/zinc/19/72/21/645197221.db2.gz WCNUSTAQZZJTBL-GXTWGEPZSA-N 0 1 377.794 2.270 20 0 GEADMN CCS(=O)(=O)N1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192466644 645208279 /nfs/dbraw/zinc/20/82/79/645208279.db2.gz CIZUQLOBPNHCQK-UHFFFAOYSA-N 0 1 379.295 2.492 20 0 GEADMN Fc1cccc(Br)c1CNCCN1CCN(c2ncccn2)CC1 ZINC000192483626 645208767 /nfs/dbraw/zinc/20/87/67/645208767.db2.gz WQQFQHURVKENKL-UHFFFAOYSA-N 0 1 394.292 2.290 20 0 GEADMN CC(C)N1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000192610146 645214487 /nfs/dbraw/zinc/21/44/87/645214487.db2.gz HQMGQBZZOBNITI-UHFFFAOYSA-N 0 1 383.286 2.315 20 0 GEADMN CN(C)CCCN(C(=O)c1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000192855638 645226110 /nfs/dbraw/zinc/22/61/10/645226110.db2.gz SQHVZKRRELVQIA-AWEZNQCLSA-N 0 1 380.535 2.482 20 0 GEADMN O=S(=O)(NCc1nnc(C2CC2)o1)c1cc(F)c(Br)cc1F ZINC000192897235 645228248 /nfs/dbraw/zinc/22/82/48/645228248.db2.gz QJTDPSXGPSKBBW-UHFFFAOYSA-N 0 1 394.197 2.466 20 0 GEADMN O=C(NC1CC1)N[C@@H]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000546212246 650996041 /nfs/dbraw/zinc/99/60/41/650996041.db2.gz 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C[C@H](CCN1CCN(C)CC1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000185327598 532337694 /nfs/dbraw/zinc/33/76/94/532337694.db2.gz UENSAOVKBQUONP-CYBMUJFWSA-N 0 1 379.448 2.010 20 0 GEADMN CCS(=O)(=O)c1ccc(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000185961641 532339266 /nfs/dbraw/zinc/33/92/66/532339266.db2.gz CJDMTYADXCPDIJ-KRWDZBQOSA-N 0 1 380.897 2.320 20 0 GEADMN O=C(Cc1ccc(F)cc1Br)N1CCN(C2CCOCC2)CC1 ZINC000186680243 532341709 /nfs/dbraw/zinc/34/17/09/532341709.db2.gz ZKBMFWZKJPHTQZ-UHFFFAOYSA-N 0 1 385.277 2.454 20 0 GEADMN CN(Cc1nnc[nH]1)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000186807616 532342006 /nfs/dbraw/zinc/34/20/06/532342006.db2.gz BFQMPOSRDJEOTD-UHFFFAOYSA-N 0 1 393.135 2.351 20 0 GEADMN CC(C)c1n[nH]c(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1Br ZINC000186898627 532342461 /nfs/dbraw/zinc/34/24/61/532342461.db2.gz NYHAKGFIOJQBSQ-NSHDSACASA-N 0 1 387.322 2.213 20 0 GEADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Cc1cc(F)ccc1Br ZINC000186928543 532342733 /nfs/dbraw/zinc/34/27/33/532342733.db2.gz 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/nfs/dbraw/zinc/17/98/51/599179851.db2.gz GHLBHORFTJUKNQ-MRXNPFEDSA-N 0 1 382.468 2.257 20 0 GEADMN CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821182267 599209814 /nfs/dbraw/zinc/20/98/14/599209814.db2.gz UAWOIRMNVDJSJM-CQSZACIVSA-N 0 1 383.456 2.115 20 0 GEADMN CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821182267 599209816 /nfs/dbraw/zinc/20/98/16/599209816.db2.gz UAWOIRMNVDJSJM-CQSZACIVSA-N 0 1 383.456 2.115 20 0 GEADMN CCN(CC)Cc1ccc(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736531155 599218664 /nfs/dbraw/zinc/21/86/64/599218664.db2.gz RUBDFYRNMOTDAC-UHFFFAOYSA-N 0 1 384.440 2.110 20 0 GEADMN C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736192907 599221392 /nfs/dbraw/zinc/22/13/92/599221392.db2.gz OOTJQNRHTBERHS-SNVBAGLBSA-N 0 1 393.436 2.166 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000737546068 599227676 /nfs/dbraw/zinc/22/76/76/599227676.db2.gz CBZFFVXQWACPAK-HIFRSBDPSA-N 0 1 395.467 2.258 20 0 GEADMN Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000737546073 599227914 /nfs/dbraw/zinc/22/79/14/599227914.db2.gz CBZFFVXQWACPAK-ZFWWWQNUSA-N 0 1 395.467 2.258 20 0 GEADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000422660486 597037697 /nfs/dbraw/zinc/03/76/97/597037697.db2.gz KBMRKLRSCBCOJW-INIZCTEOSA-N 0 1 386.452 2.219 20 0 GEADMN O=C([O-])C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000819380461 597077297 /nfs/dbraw/zinc/07/72/97/597077297.db2.gz NOUKBPXSGMOESM-MRXNPFEDSA-N 0 1 375.469 2.039 20 0 GEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000819381012 597079083 /nfs/dbraw/zinc/07/90/83/597079083.db2.gz XOZDOQGDACJJCS-HNNXBMFYSA-N 0 1 387.480 2.484 20 0 GEADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818339309 597080540 /nfs/dbraw/zinc/08/05/40/597080540.db2.gz OBHAJKHWAYKFOA-CVEARBPZSA-N 0 1 389.496 2.221 20 0 GEADMN Cc1ccc(NC(=O)CSCC(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000740139844 597089945 /nfs/dbraw/zinc/08/99/45/597089945.db2.gz YSHWCFNSSFHMQO-UHFFFAOYSA-N 0 1 379.482 2.176 20 0 GEADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000737737698 597298334 /nfs/dbraw/zinc/29/83/34/597298334.db2.gz AISKDUSKOVZJPX-CALCHBBNSA-N 0 1 388.512 2.085 20 0 GEADMN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])n2)n1 ZINC000818809086 597453818 /nfs/dbraw/zinc/45/38/18/597453818.db2.gz AZISGESVRGUVGG-CYBMUJFWSA-N 0 1 392.843 2.243 20 0 GEADMN CC(C)[C@H](NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262641282 597530278 /nfs/dbraw/zinc/53/02/78/597530278.db2.gz JALUEUICSFZYFE-KXBFYZLASA-N 0 1 376.453 2.068 20 0 GEADMN CC(=O)NCC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@H](C)C(=O)[O-] ZINC000263361888 597673292 /nfs/dbraw/zinc/67/32/92/597673292.db2.gz SEBNRCDQYUDBBA-OAHLLOKOSA-N 0 1 380.448 2.413 20 0 GEADMN Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C(=O)[O-] ZINC000820991367 597708008 /nfs/dbraw/zinc/70/80/08/597708008.db2.gz CLQVMBLAAIZZSU-HUUCEWRRSA-N 0 1 387.480 2.401 20 0 GEADMN Cc1nc(COC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)n[nH]1 ZINC000822444794 607319760 /nfs/dbraw/zinc/31/97/60/607319760.db2.gz ZQRDAQZKPGINOJ-UHFFFAOYSA-N 0 1 391.391 2.229 20 0 GEADMN Cn1nccc1[C@@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000737627630 599289823 /nfs/dbraw/zinc/28/98/23/599289823.db2.gz LCBOFAZZTTUUQN-OAHLLOKOSA-N 0 1 391.439 2.030 20 0 GEADMN Nc1nc(CN2CC[NH+](Cc3cccc(C(=O)[O-])c3)CC2)nc2ccccc12 ZINC000263445206 598210213 /nfs/dbraw/zinc/21/02/13/598210213.db2.gz FRUXXZQNFYGBGV-UHFFFAOYSA-N 0 1 377.448 2.228 20 0 GEADMN CCCCN(CCCC)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736456464 598233079 /nfs/dbraw/zinc/23/30/79/598233079.db2.gz IOMPGUQMLNUMJQ-FQEVSTJZSA-N 0 1 399.499 2.493 20 0 GEADMN C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736278702 598250273 /nfs/dbraw/zinc/25/02/73/598250273.db2.gz UPMVHVKQCBBLHV-INIZCTEOSA-N 0 1 398.511 2.357 20 0 GEADMN CCOc1ccc(OCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000736650208 598252892 /nfs/dbraw/zinc/25/28/92/598252892.db2.gz CBYXJWJXIOZVNZ-UHFFFAOYSA-N 0 1 394.479 2.466 20 0 GEADMN CCC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccccn1 ZINC000736431775 598260385 /nfs/dbraw/zinc/26/03/85/598260385.db2.gz TYGSVBWXMCPXCX-CYBMUJFWSA-N 0 1 385.453 2.355 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCc3c(C)cccc3C2)cc1-c1nn[nH]n1 ZINC000737187741 598260553 /nfs/dbraw/zinc/26/05/53/598260553.db2.gz SZFIJYVXEHYDFT-UHFFFAOYSA-N 0 1 382.449 2.196 20 0 GEADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)NC[C@@H](c1ccco1)N1CCCC1 ZINC000738101499 598318334 /nfs/dbraw/zinc/31/83/34/598318334.db2.gz YQOSIAQICXAZPD-INIZCTEOSA-N 0 1 399.430 2.235 20 0 GEADMN CN(C)[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000736757798 598324000 /nfs/dbraw/zinc/32/40/00/598324000.db2.gz DIYHDUFJKLVHEB-AWEZNQCLSA-N 0 1 389.460 2.169 20 0 GEADMN COc1cc(C=O)c(Br)cc1Oc1nccnc1-c1nn[nH]n1 ZINC000737044860 598349982 /nfs/dbraw/zinc/34/99/82/598349982.db2.gz UUELVLYDTBTDPY-UHFFFAOYSA-N 0 1 377.158 2.033 20 0 GEADMN c1ccc2oc(N3CCN(CCOc4ccccc4-c4nn[nH]n4)CC3)nc2c1 ZINC000738427370 598365585 /nfs/dbraw/zinc/36/55/85/598365585.db2.gz VMZVBEMBDYGLMB-UHFFFAOYSA-N 0 1 391.435 2.209 20 0 GEADMN O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1cc2c(cc1Cl)OCCO2 ZINC000362957304 598366070 /nfs/dbraw/zinc/36/60/70/598366070.db2.gz DYOHMXCVCKIGDW-UHFFFAOYSA-N 0 1 393.812 2.092 20 0 GEADMN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737510746 598368434 /nfs/dbraw/zinc/36/84/34/598368434.db2.gz NABFENKVJFJDPX-RHSMWYFYSA-N 0 1 394.483 2.381 20 0 GEADMN CC(C)c1nc2c(n1C)CCN(CCC(=O)Nc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000735940992 598374772 /nfs/dbraw/zinc/37/47/72/598374772.db2.gz URUYAWBMUXQTCD-UHFFFAOYSA-N 0 1 394.483 2.111 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCc3ccc(F)cc32)cc1-c1nn[nH]n1 ZINC000737186980 598410738 /nfs/dbraw/zinc/41/07/38/598410738.db2.gz MVZAYLZUXLTLGQ-ZDUSSCGKSA-N 0 1 386.412 2.246 20 0 GEADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC000736275241 598458813 /nfs/dbraw/zinc/45/88/13/598458813.db2.gz AUPXLVATFFWPAS-OAHLLOKOSA-N 0 1 391.479 2.424 20 0 GEADMN CCN1CCC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736573253 598556035 /nfs/dbraw/zinc/55/60/35/598556035.db2.gz YOEAHLNRNHBCDC-OAHLLOKOSA-N 0 1 396.451 2.253 20 0 GEADMN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735873226 598620799 /nfs/dbraw/zinc/62/07/99/598620799.db2.gz CWDXPNHPMMDKOQ-AWEZNQCLSA-N 0 1 382.390 2.240 20 0 GEADMN CCN(CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736541468 598621453 /nfs/dbraw/zinc/62/14/53/598621453.db2.gz HIYHXECMRUMUFR-LJQANCHMSA-N 0 1 392.463 2.373 20 0 GEADMN CC(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735496649 598626539 /nfs/dbraw/zinc/62/65/39/598626539.db2.gz DWHUEGAENUKKCP-UHFFFAOYSA-N 0 1 392.463 2.273 20 0 GEADMN O=C(NCc1cccc(-c2nn[nH]n2)c1)c1n[nH]c2ccc(Br)cc21 ZINC000738116116 598684056 /nfs/dbraw/zinc/68/40/56/598684056.db2.gz JMYNJNIFLGWMRT-UHFFFAOYSA-N 0 1 398.224 2.436 20 0 GEADMN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000736184931 598697283 /nfs/dbraw/zinc/69/72/83/598697283.db2.gz PMBPIWBWYYCCBM-SNVBAGLBSA-N 0 1 397.826 2.480 20 0 GEADMN CC[C@@H]1CN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H](C)O1 ZINC000736407405 598706883 /nfs/dbraw/zinc/70/68/83/598706883.db2.gz GSTAVSQAWJLCIY-WCQYABFASA-N 0 1 378.864 2.348 20 0 GEADMN CC(C)N(C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)C(C)C ZINC000735851297 598720535 /nfs/dbraw/zinc/72/05/35/598720535.db2.gz PICHFYRKXMFUOS-UHFFFAOYSA-N 0 1 388.859 2.480 20 0 GEADMN CN(Cc1ccco1)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736828444 598721190 /nfs/dbraw/zinc/72/11/90/598721190.db2.gz JZRVFZQQTASKFY-UHFFFAOYSA-N 0 1 398.810 2.087 20 0 GEADMN COC(=O)c1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)o1 ZINC000736947149 598721457 /nfs/dbraw/zinc/72/14/57/598721457.db2.gz DRXGXNSESKDSIK-UHFFFAOYSA-N 0 1 385.767 2.263 20 0 GEADMN O=C1[C@H](N2CC[C@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291567 598764465 /nfs/dbraw/zinc/76/44/65/598764465.db2.gz VHIZWJWMQJDSFO-PKOBYXMFSA-N 0 1 389.463 2.158 20 0 GEADMN COC[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978780 598820552 /nfs/dbraw/zinc/82/05/52/598820552.db2.gz RPRWRPXLBJAXNL-NEPJUHHUSA-N 0 1 390.513 2.102 20 0 GEADMN c1ccc2c(c1)nc(N1CCC(CCN3CCOCC3)CC1)cc2-c1nn[nH]n1 ZINC000738434010 599421533 /nfs/dbraw/zinc/42/15/33/599421533.db2.gz YOPMNOKPTIXLSG-UHFFFAOYSA-N 0 1 393.495 2.354 20 0 GEADMN CN(CCN1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000736798598 599535644 /nfs/dbraw/zinc/53/56/44/599535644.db2.gz BBPCDTCHRATZJH-UHFFFAOYSA-N 0 1 381.459 2.264 20 0 GEADMN CCc1cnc(N2CCN(Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)s1 ZINC000821499981 599580919 /nfs/dbraw/zinc/58/09/19/599580919.db2.gz ZBALLUZDQLQFDV-UHFFFAOYSA-N 0 1 394.508 2.461 20 0 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O=S(=O)(N[C@@H]1C[C@@H]1Cc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573757 606894909 /nfs/dbraw/zinc/89/49/09/606894909.db2.gz YQSDHUDSRCYZBE-XHDPSFHLSA-N 0 1 391.403 2.054 20 0 GEADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCOC2(C1)CCCCCC2 ZINC000823699344 606916287 /nfs/dbraw/zinc/91/62/87/606916287.db2.gz UVWPPTHLDHYVJN-QGZVFWFLSA-N 0 1 387.484 2.032 20 0 GEADMN C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@H]1N1CCOCC1 ZINC000820766185 606942866 /nfs/dbraw/zinc/94/28/66/606942866.db2.gz AISLJWZYUPNXPY-XHDPSFHLSA-N 0 1 382.390 2.042 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000819939659 606967236 /nfs/dbraw/zinc/96/72/36/606967236.db2.gz HSJOOUWXVSZBHQ-CYBMUJFWSA-N 0 1 376.436 2.352 20 0 GEADMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000819939659 606967237 /nfs/dbraw/zinc/96/72/37/606967237.db2.gz HSJOOUWXVSZBHQ-CYBMUJFWSA-N 0 1 376.436 2.352 20 0 GEADMN Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822232010 606990749 /nfs/dbraw/zinc/99/07/49/606990749.db2.gz QITBOXZFXXGHQM-FQEVSTJZSA-N 0 1 378.480 2.339 20 0 GEADMN C[C@@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@@H]1n1ccnc1 ZINC000820728128 607025312 /nfs/dbraw/zinc/02/53/12/607025312.db2.gz TXWGYSYCMODKLX-BEFAXECRSA-N 0 1 389.467 2.467 20 0 GEADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000819992007 607055070 /nfs/dbraw/zinc/05/50/70/607055070.db2.gz OJRVHSQYDOBLIL-UHFFFAOYSA-N 0 1 381.440 2.153 20 0 GEADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821637454 607087079 /nfs/dbraw/zinc/08/70/79/607087079.db2.gz GQQJGPFXVKNQCZ-STQMWFEESA-N 0 1 386.481 2.187 20 0 GEADMN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c(C)n1 ZINC000821837721 607111206 /nfs/dbraw/zinc/11/12/06/607111206.db2.gz GPQCMGYCZIVSON-UHFFFAOYSA-N 0 1 380.817 2.033 20 0 GEADMN CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CCN1CCOC ZINC000820989367 607199175 /nfs/dbraw/zinc/19/91/75/607199175.db2.gz REPSFXAOTGTANO-ZDUSSCGKSA-N 0 1 393.879 2.095 20 0 GEADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000823136160 607214576 /nfs/dbraw/zinc/21/45/76/607214576.db2.gz MLYXRNSQNUJIRM-UHFFFAOYSA-N 0 1 382.334 2.042 20 0 GEADMN Cc1cc(Oc2ccccc2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822211948 607216074 /nfs/dbraw/zinc/21/60/74/607216074.db2.gz VFZIYPZRDMCGHR-UHFFFAOYSA-N 0 1 376.380 2.198 20 0 GEADMN FC(F)(F)c1ccc(-c2nn[nH]n2)cc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC000822723465 607227007 /nfs/dbraw/zinc/22/70/07/607227007.db2.gz FVUWWMXEZZOIBP-ZDUSSCGKSA-N 0 1 382.390 2.187 20 0 GEADMN OC[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1C(F)(F)F ZINC000823707329 607230269 /nfs/dbraw/zinc/23/02/69/607230269.db2.gz ZQUIZVQVKQININ-LLVKDONJSA-N 0 1 381.358 2.419 20 0 GEADMN OC[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1C(F)(F)F ZINC000823707329 607230270 /nfs/dbraw/zinc/23/02/70/607230270.db2.gz ZQUIZVQVKQININ-LLVKDONJSA-N 0 1 381.358 2.419 20 0 GEADMN CC1(c2ccccc2)CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824843668 607800580 /nfs/dbraw/zinc/80/05/80/607800580.db2.gz JBZVSSYMXJPSAL-SFHVURJKSA-N 0 1 376.464 2.447 20 0 GEADMN C[C@H](NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000824599067 607814625 /nfs/dbraw/zinc/81/46/25/607814625.db2.gz LQLBSSZBCSKHPU-NSHDSACASA-N 0 1 393.419 2.269 20 0 GEADMN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825154824 607925182 /nfs/dbraw/zinc/92/51/82/607925182.db2.gz UJFZLLCUERJYGI-KRWDZBQOSA-N 0 1 395.463 2.426 20 0 GEADMN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825154824 607925183 /nfs/dbraw/zinc/92/51/83/607925183.db2.gz UJFZLLCUERJYGI-KRWDZBQOSA-N 0 1 395.463 2.426 20 0 GEADMN O=C(Nc1nc(-c2cccnc2)ns1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826460199 607929735 /nfs/dbraw/zinc/92/97/35/607929735.db2.gz RATUZNSUUNQBHR-UHFFFAOYSA-N 0 1 385.800 2.081 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826077340 608020450 /nfs/dbraw/zinc/02/04/50/608020450.db2.gz DTZIYAQBCMOKPP-NSHDSACASA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826077340 608020451 /nfs/dbraw/zinc/02/04/51/608020451.db2.gz DTZIYAQBCMOKPP-NSHDSACASA-N 0 1 386.435 2.013 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)C(C)C)c1-c1nnn[n-]1 ZINC000826073197 608020731 /nfs/dbraw/zinc/02/07/31/608020731.db2.gz JCKVGNZWRCEUGJ-HNNXBMFYSA-N 0 1 382.472 2.120 20 0 GEADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000826073197 608020732 /nfs/dbraw/zinc/02/07/32/608020732.db2.gz JCKVGNZWRCEUGJ-HNNXBMFYSA-N 0 1 382.472 2.120 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc(Cl)cc2cccnc21 ZINC000825933827 608034461 /nfs/dbraw/zinc/03/44/61/608034461.db2.gz GWTYDSLJADHONZ-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc(Cl)cc2cccnc21 ZINC000825933827 608034462 /nfs/dbraw/zinc/03/44/62/608034462.db2.gz GWTYDSLJADHONZ-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(Cl)cc2cccnc21 ZINC000825933827 608034463 /nfs/dbraw/zinc/03/44/63/608034463.db2.gz GWTYDSLJADHONZ-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(Cl)cc2cccnc21 ZINC000825933827 608034464 /nfs/dbraw/zinc/03/44/64/608034464.db2.gz GWTYDSLJADHONZ-UHFFFAOYSA-N 0 1 397.874 2.438 20 0 GEADMN C[C@H](CNc1ccc(-c2nn[nH]n2)cc1Br)CN1CCOCC1 ZINC000824429425 608049949 /nfs/dbraw/zinc/04/99/49/608049949.db2.gz WKPGQUGUUNHBCY-LLVKDONJSA-N 0 1 381.278 2.009 20 0 GEADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000826175461 608079244 /nfs/dbraw/zinc/07/92/44/608079244.db2.gz GGUKWVNEPPLTKD-SFHVURJKSA-N 0 1 394.479 2.243 20 0 GEADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000825626974 608105751 /nfs/dbraw/zinc/10/57/51/608105751.db2.gz RYOZSGYBMMNUBG-SNVBAGLBSA-N 0 1 385.432 2.390 20 0 GEADMN CCc1nc([C@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)n[nH]1 ZINC000825739168 608106520 /nfs/dbraw/zinc/10/65/20/608106520.db2.gz AQFKVTFOFWMWRZ-ZETCQYMHSA-N 0 1 393.358 2.031 20 0 GEADMN CC(C)n1cccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824371503 608117094 /nfs/dbraw/zinc/11/70/94/608117094.db2.gz IEBKFVOBTCYXDH-UHFFFAOYSA-N 0 1 396.455 2.077 20 0 GEADMN C[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824400365 608126560 /nfs/dbraw/zinc/12/65/60/608126560.db2.gz GBGYEPSLMVMNSG-LBPRGKRZSA-N 0 1 398.920 2.063 20 0 GEADMN C[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824400365 608126561 /nfs/dbraw/zinc/12/65/61/608126561.db2.gz GBGYEPSLMVMNSG-LBPRGKRZSA-N 0 1 398.920 2.063 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC000824109020 608129462 /nfs/dbraw/zinc/12/94/62/608129462.db2.gz MGXLTKSXOIYMRK-HRCADAONSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC000824109020 608129463 /nfs/dbraw/zinc/12/94/63/608129463.db2.gz MGXLTKSXOIYMRK-HRCADAONSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC000824109020 608129464 /nfs/dbraw/zinc/12/94/64/608129464.db2.gz MGXLTKSXOIYMRK-HRCADAONSA-N 0 1 399.499 2.387 20 0 GEADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC000824109020 608129465 /nfs/dbraw/zinc/12/94/65/608129465.db2.gz MGXLTKSXOIYMRK-HRCADAONSA-N 0 1 399.499 2.387 20 0 GEADMN CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)CC1CC1 ZINC000825420024 608203133 /nfs/dbraw/zinc/20/31/33/608203133.db2.gz YLDIIEDNDBXXSL-UHFFFAOYSA-N 0 1 383.500 2.236 20 0 GEADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)CC1CC1 ZINC000825420024 608203135 /nfs/dbraw/zinc/20/31/35/608203135.db2.gz YLDIIEDNDBXXSL-UHFFFAOYSA-N 0 1 383.500 2.236 20 0 GEADMN CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)CC1CC1 ZINC000825420024 608203136 /nfs/dbraw/zinc/20/31/36/608203136.db2.gz YLDIIEDNDBXXSL-UHFFFAOYSA-N 0 1 383.500 2.236 20 0 GEADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)CC1CC1 ZINC000825420024 608203138 /nfs/dbraw/zinc/20/31/38/608203138.db2.gz YLDIIEDNDBXXSL-UHFFFAOYSA-N 0 1 383.500 2.236 20 0 GEADMN Cc1cccc2nc(CNC(=O)[C@H](C)Oc3ccccc3-c3nn[nH]n3)[nH]c21 ZINC000826304819 608243671 /nfs/dbraw/zinc/24/36/71/608243671.db2.gz ZQGNHNMKGNNXPW-LBPRGKRZSA-N 0 1 377.408 2.135 20 0 GEADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000826186573 608276119 /nfs/dbraw/zinc/27/61/19/608276119.db2.gz ZYVSFKLRWBECOZ-UHFFFAOYSA-N 0 1 378.396 2.382 20 0 GEADMN CCN1C[C@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@H]1C ZINC000825443730 608281105 /nfs/dbraw/zinc/28/11/05/608281105.db2.gz FBPDUOJYMIFGFS-MNOVXSKESA-N 0 1 395.414 2.415 20 0 GEADMN C[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(NS(C)(=O)=O)cc1 ZINC000824604404 608285046 /nfs/dbraw/zinc/28/50/46/608285046.db2.gz CJTBSCNYFBTMBL-LLVKDONJSA-N 0 1 390.444 2.228 20 0 GEADMN CCC[C@@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CCN1CCOC ZINC000825251484 608307344 /nfs/dbraw/zinc/30/73/44/608307344.db2.gz BOGNGSYCBDVWTG-OAHLLOKOSA-N 0 1 387.488 2.140 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1-c1nnn[n-]1 ZINC000826332077 608309042 /nfs/dbraw/zinc/30/90/42/608309042.db2.gz JCWFSDRPWISKSF-OAHLLOKOSA-N 0 1 379.468 2.362 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1-c1nnn[n-]1 ZINC000826332077 608309044 /nfs/dbraw/zinc/30/90/44/608309044.db2.gz JCWFSDRPWISKSF-OAHLLOKOSA-N 0 1 379.468 2.362 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1-c1nn[n-]n1 ZINC000826332077 608309045 /nfs/dbraw/zinc/30/90/45/608309045.db2.gz JCWFSDRPWISKSF-OAHLLOKOSA-N 0 1 379.468 2.362 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1-c1nn[n-]n1 ZINC000826332077 608309047 /nfs/dbraw/zinc/30/90/47/608309047.db2.gz JCWFSDRPWISKSF-OAHLLOKOSA-N 0 1 379.468 2.362 20 0 GEADMN Cc1nn(-c2ccccc2)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC000826332570 608313518 /nfs/dbraw/zinc/31/35/18/608313518.db2.gz XXDCOKDIHDIFIR-QGZVFWFLSA-N 0 1 378.484 2.031 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826332451 608317088 /nfs/dbraw/zinc/31/70/88/608317088.db2.gz UYNNBYOMSLSWNT-IIBYNOLFSA-N 0 1 393.495 2.488 20 0 GEADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826332451 608317090 /nfs/dbraw/zinc/31/70/90/608317090.db2.gz UYNNBYOMSLSWNT-IIBYNOLFSA-N 0 1 393.495 2.488 20 0 GEADMN O=C([N-]CCC[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000826436982 608420954 /nfs/dbraw/zinc/42/09/54/608420954.db2.gz RDTOAVXIDJLZSF-UHFFFAOYSA-N 0 1 380.374 2.024 20 0 GEADMN O=C([N-]CCC[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000826436982 608420956 /nfs/dbraw/zinc/42/09/56/608420956.db2.gz RDTOAVXIDJLZSF-UHFFFAOYSA-N 0 1 380.374 2.024 20 0 GEADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824004979 608432794 /nfs/dbraw/zinc/43/27/94/608432794.db2.gz IOULOXYAXQDUQF-LBPRGKRZSA-N 0 1 379.424 2.114 20 0 GEADMN CCOc1ccccc1[C@H](C)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825653613 608437733 /nfs/dbraw/zinc/43/77/33/608437733.db2.gz GQTVKPBQTBDCSW-AWEZNQCLSA-N 0 1 380.452 2.232 20 0 GEADMN CCOCc1ccc(CNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825605046 608465700 /nfs/dbraw/zinc/46/57/00/608465700.db2.gz OWGDMLXYQQSZRD-OAHLLOKOSA-N 0 1 394.479 2.370 20 0 GEADMN C[C@H]([NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)c1ccccc1 ZINC000824564841 608493548 /nfs/dbraw/zinc/49/35/48/608493548.db2.gz WSHOHKYDRKEFMS-AWEZNQCLSA-N 0 1 388.435 2.342 20 0 GEADMN CCCn1nc(C)c(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1C ZINC000825362253 608514744 /nfs/dbraw/zinc/51/47/44/608514744.db2.gz KZKGEPSAEYLXHF-UHFFFAOYSA-N 0 1 380.500 2.412 20 0 GEADMN CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824314746 608529859 /nfs/dbraw/zinc/52/98/59/608529859.db2.gz FCZGRNAYLAZLGE-UHFFFAOYSA-N 0 1 392.529 2.072 20 0 GEADMN CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824314746 608529860 /nfs/dbraw/zinc/52/98/60/608529860.db2.gz FCZGRNAYLAZLGE-UHFFFAOYSA-N 0 1 392.529 2.072 20 0 GEADMN COc1ccccc1CN(C)C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219415 608532230 /nfs/dbraw/zinc/53/22/30/608532230.db2.gz BFACGCJFFFKPMD-UHFFFAOYSA-N 0 1 392.463 2.113 20 0 GEADMN COC[C@H](NC[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000826150696 608552270 /nfs/dbraw/zinc/55/22/70/608552270.db2.gz JWMXZCYWNOMYDV-DLBZAZTESA-N 0 1 375.379 2.156 20 0 GEADMN CSc1[nH]c(=O)c(C(=O)N2CCc3cccc(F)c3C2)cc1-c1nn[nH]n1 ZINC000826229640 608568941 /nfs/dbraw/zinc/56/89/41/608568941.db2.gz LKJFGGWRNMTSQJ-UHFFFAOYSA-N 0 1 386.412 2.027 20 0 GEADMN C[C@@H](N[C@@H](CO)c1ccccc1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824531364 608577997 /nfs/dbraw/zinc/57/79/97/608577997.db2.gz PFIAFTHASZDJBX-BZNIZROVSA-N 0 1 386.843 2.170 20 0 GEADMN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000826454337 608658491 /nfs/dbraw/zinc/65/84/91/608658491.db2.gz SGXGNYIXZZGLOT-ZDUSSCGKSA-N 0 1 387.444 2.463 20 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SIHZYNONPQVSOY-SECBINFHSA-N 0 1 385.287 2.319 20 0 GEADMN CCc1cc(CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)n[nH]1 ZINC000764262588 652793191 /nfs/dbraw/zinc/79/31/91/652793191.db2.gz MWXJIDHEAQEKQS-UHFFFAOYSA-N 0 1 395.232 2.079 20 0 GEADMN CN(C)C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000636442813 652803825 /nfs/dbraw/zinc/80/38/25/652803825.db2.gz UMJPYNJFUQULFD-SWLSCSKDSA-N 0 1 388.295 2.008 20 0 GEADMN CN(C)[C@@H](CNC(=O)NCc1c(Br)cnn1C)c1cccc(F)c1 ZINC000636472730 652804913 /nfs/dbraw/zinc/80/49/13/652804913.db2.gz KGFOMFMUGQFROF-AWEZNQCLSA-N 0 1 398.280 2.424 20 0 GEADMN COCCCCNC(=O)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000636547167 652808487 /nfs/dbraw/zinc/80/84/87/652808487.db2.gz ZGSFQDQHGQYYSY-HNNXBMFYSA-N 0 1 390.311 2.255 20 0 GEADMN C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000671754462 652812046 /nfs/dbraw/zinc/81/20/46/652812046.db2.gz UVTVORYNDVOVID-ZYHUDNBSSA-N 0 1 382.463 2.080 20 0 GEADMN O=C(c1[nH]nc2ccc(I)cc21)N1CC[C@H]2COC[C@H]2C1 ZINC000598392151 652813059 /nfs/dbraw/zinc/81/30/59/652813059.db2.gz FTLPXCGQSKBTML-VHSXEESVSA-N 0 1 397.216 2.276 20 0 GEADMN CC(C)(C)OC(=O)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000764870265 652814226 /nfs/dbraw/zinc/81/42/26/652814226.db2.gz RPLSEYMZSAJXIZ-UHFFFAOYSA-N 0 1 381.230 2.192 20 0 GEADMN CC(C)(C)OC(=O)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000764870265 652814230 /nfs/dbraw/zinc/81/42/30/652814230.db2.gz RPLSEYMZSAJXIZ-UHFFFAOYSA-N 0 1 381.230 2.192 20 0 GEADMN NC(=O)CCCCC(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000598428131 652814499 /nfs/dbraw/zinc/81/44/99/652814499.db2.gz MELZGVKNHTZFQX-UHFFFAOYSA-N 0 1 386.193 2.152 20 0 GEADMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCOCC1CCC1 ZINC000764978356 652817524 /nfs/dbraw/zinc/81/75/24/652817524.db2.gz WXOXGYMQRXVJLU-CQSZACIVSA-N 0 1 375.922 2.111 20 0 GEADMN Cc1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1Br ZINC000636870086 652827367 /nfs/dbraw/zinc/82/73/67/652827367.db2.gz STHCHMJPKPEFMV-GXTWGEPZSA-N 0 1 394.313 2.115 20 0 GEADMN CN(Cc1n[nH]c(=O)o1)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000598746317 652833425 /nfs/dbraw/zinc/83/34/25/652833425.db2.gz RTDMGYIDEDVDAI-UHFFFAOYSA-N 0 1 399.188 2.070 20 0 GEADMN COC(=O)CCNC(=O)CCN[C@H](C)c1ccc(OC)cc1Br ZINC000599089394 652848760 /nfs/dbraw/zinc/84/87/60/652848760.db2.gz SENPYKRJSFUFKC-LLVKDONJSA-N 0 1 387.274 2.178 20 0 GEADMN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)C(=O)NCCF ZINC000637472284 652862236 /nfs/dbraw/zinc/86/22/36/652862236.db2.gz FRBDPNDZNJIYIA-YGRLFVJLSA-N 0 1 393.290 2.370 20 0 GEADMN CN(C)C[C@H](NC(=O)NCC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000637472727 652862276 /nfs/dbraw/zinc/86/22/76/652862276.db2.gz HMEUTWVIYYIOIU-HNNXBMFYSA-N 0 1 390.311 2.437 20 0 GEADMN CN(C)C[C@H](NC(=O)NC[C@@H](O)[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000637472883 652862328 /nfs/dbraw/zinc/86/23/28/652862328.db2.gz IIZXSRNNHBEYJW-ARFHVFGLSA-N 0 1 390.311 2.435 20 0 GEADMN COC[C@@H](O)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474028 652862904 /nfs/dbraw/zinc/86/29/04/652862904.db2.gz MWDCFLQWNDKBAP-WFASDCNBSA-N 0 1 378.300 2.293 20 0 GEADMN CN(C)C[C@@H](NC(=O)NC[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000637475388 652863328 /nfs/dbraw/zinc/86/33/28/652863328.db2.gz VNYKQBHAESGBSQ-ZBFHGGJFSA-N 0 1 376.284 2.047 20 0 GEADMN COC(=O)CCc1nnc(NC(=O)NC[C@H](c2ccsc2)N(C)C)s1 ZINC000609932210 652863930 /nfs/dbraw/zinc/86/39/30/652863930.db2.gz FJIMNDYYNYXVNL-LLVKDONJSA-N 0 1 383.499 2.130 20 0 GEADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCCC[N@H+](C)C2)c1F ZINC000599416689 652869791 /nfs/dbraw/zinc/86/97/91/652869791.db2.gz WPXXKHGQADRPRR-LLVKDONJSA-N 0 1 392.880 2.276 20 0 GEADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCCC[N@@H+](C)C2)c1F ZINC000599416689 652869796 /nfs/dbraw/zinc/86/97/96/652869796.db2.gz WPXXKHGQADRPRR-LLVKDONJSA-N 0 1 392.880 2.276 20 0 GEADMN COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599464748 652874296 /nfs/dbraw/zinc/87/42/96/652874296.db2.gz RVYYZFWVFHCGCE-CYBMUJFWSA-N 0 1 386.901 2.422 20 0 GEADMN CCOc1cc(Br)c(CC(=O)NCc2c[nH]nn2)cc1OCC ZINC000673918487 652876454 /nfs/dbraw/zinc/87/64/54/652876454.db2.gz DRTWTFZNQUESFX-UHFFFAOYSA-N 0 1 383.246 2.224 20 0 GEADMN CCCNC(=O)[C@@H]1CCCN(Cc2cnn3cc(Br)cnc23)C1 ZINC000637991245 652880752 /nfs/dbraw/zinc/88/07/52/652880752.db2.gz PJCJTGVNWHJQSE-GFCCVEGCSA-N 0 1 380.290 2.230 20 0 GEADMN CSc1ccc(S(=O)(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000766483064 652881719 /nfs/dbraw/zinc/88/17/19/652881719.db2.gz CCLCXQNBOBOMST-VXGBXAGGSA-N 0 1 376.931 2.203 20 0 GEADMN CCOC(=O)CN(C)C(=O)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599669295 652882951 /nfs/dbraw/zinc/88/29/51/652882951.db2.gz ZNWJNWITCCSANT-CQSZACIVSA-N 0 1 377.268 2.028 20 0 GEADMN CC(C)CNC(=O)NC(=O)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599665757 652883043 /nfs/dbraw/zinc/88/30/43/652883043.db2.gz LDMKPBXKQXASPK-CQSZACIVSA-N 0 1 376.284 2.488 20 0 GEADMN CC(C)[C@@H]1CNCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000638488108 652890951 /nfs/dbraw/zinc/89/09/51/652890951.db2.gz CIPGSQBFRIADES-ZDUSSCGKSA-N 0 1 378.523 2.456 20 0 GEADMN O=C(COc1ccc2cc(Br)ccc2c1)NC[C@@H]1COCCN1 ZINC000638618773 652899259 /nfs/dbraw/zinc/89/92/59/652899259.db2.gz CHSAFHPBOCMJJN-OAHLLOKOSA-N 0 1 379.254 2.086 20 0 GEADMN O=C(Nc1cc(C(=O)NC[C@H]2COCCN2)ccc1Cl)c1cccs1 ZINC000638624667 652899830 /nfs/dbraw/zinc/89/98/30/652899830.db2.gz GLTMMADAHMUAGY-LBPRGKRZSA-N 0 1 379.869 2.372 20 0 GEADMN Cc1nc(Cl)ccc1CC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000766957458 652905313 /nfs/dbraw/zinc/90/53/13/652905313.db2.gz KOJRYFCZNXLFFW-UHFFFAOYSA-N 0 1 379.825 2.151 20 0 GEADMN CS(=O)(=O)N1CCC[C@H](CN2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1 ZINC000674752606 652910990 /nfs/dbraw/zinc/91/09/90/652910990.db2.gz GPOKIXIFKVSEFS-MXWKQRLJSA-N 0 1 382.370 2.331 20 0 GEADMN Cc1cccc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1O ZINC000674754998 652911188 /nfs/dbraw/zinc/91/11/88/652911188.db2.gz OQIXJFBNJDVQLN-UHFFFAOYSA-N 0 1 382.463 2.041 20 0 GEADMN O=C(NCc1nn[nH]n1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000600496359 652919345 /nfs/dbraw/zinc/91/93/45/652919345.db2.gz FGVXZPARCMLYKT-OAHLLOKOSA-N 0 1 388.225 2.399 20 0 GEADMN COc1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cnc1Cl ZINC000767446792 652926216 /nfs/dbraw/zinc/92/62/16/652926216.db2.gz VNWHZXCGJHLQJK-MRVPVSSYSA-N 0 1 383.813 2.264 20 0 GEADMN COc1cc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2)cnc1Cl ZINC000767450796 652926613 /nfs/dbraw/zinc/92/66/13/652926613.db2.gz PNQDWJUFKVKSHO-UHFFFAOYSA-N 0 1 382.829 2.074 20 0 GEADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CCN(C)C)C2CCCC2)s1 ZINC000675466818 652927817 /nfs/dbraw/zinc/92/78/17/652927817.db2.gz LHRUXFJWTNUNSL-ZDUSSCGKSA-N 0 1 387.571 2.440 20 0 GEADMN CN(C(=O)c1cccc(Br)c1[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675605214 652933760 /nfs/dbraw/zinc/93/37/60/652933760.db2.gz JYVVSKWSJRLBAI-CQSZACIVSA-N 0 1 396.329 2.395 20 0 GEADMN CN(C(=O)c1cccc(Br)c1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675605214 652933768 /nfs/dbraw/zinc/93/37/68/652933768.db2.gz JYVVSKWSJRLBAI-CQSZACIVSA-N 0 1 396.329 2.395 20 0 GEADMN Fc1cc(CN2CCN(C[C@@H]3CCc4ncnn43)CC2)ccc1Br ZINC000639518598 652939888 /nfs/dbraw/zinc/93/98/88/652939888.db2.gz KMRCLMBHOOBGPH-AWEZNQCLSA-N 0 1 394.292 2.485 20 0 GEADMN COc1cc(S(=O)(=O)NC[C@H](Cc2ccccc2)N(C)C)cnc1Cl ZINC000767667336 652940591 /nfs/dbraw/zinc/94/05/91/652940591.db2.gz XXUWUDYNVYGCFP-AWEZNQCLSA-N 0 1 383.901 2.195 20 0 GEADMN CCN(CC(F)(F)F)C(=O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000639593011 652942375 /nfs/dbraw/zinc/94/23/75/652942375.db2.gz ACIFCSVVHXBTRZ-GFCCVEGCSA-N 0 1 383.208 2.483 20 0 GEADMN Nc1nnc(C2CCN(C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)o1 ZINC000639725922 652950175 /nfs/dbraw/zinc/95/01/75/652950175.db2.gz MSCWRSOTZILLMW-GFCCVEGCSA-N 0 1 387.267 2.578 20 0 GEADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC(OCCCO)CC1 ZINC000676173900 652955574 /nfs/dbraw/zinc/95/55/74/652955574.db2.gz APOHYIRLWVEGKT-UHFFFAOYSA-N 0 1 382.258 2.329 20 0 GEADMN O=C(Cc1ncn[nH]1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000601261821 653083988 /nfs/dbraw/zinc/08/39/88/653083988.db2.gz UFVJUIBOLRLWLQ-GFCCVEGCSA-N 0 1 382.205 2.316 20 0 GEADMN C[C@]1(CO)C[C@H](O)CN1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000639852543 653086578 /nfs/dbraw/zinc/08/65/78/653086578.db2.gz UMFHYXHOWGOEMQ-QANKJYHBSA-N 0 1 387.307 2.475 20 0 GEADMN C[C@@]1(CO)C[C@H](O)CN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000639856402 653086859 /nfs/dbraw/zinc/08/68/59/653086859.db2.gz YTEWDTCDLJLFBP-RDJZCZTQSA-N 0 1 378.270 2.224 20 0 GEADMN Cc1cc(Br)ccc1CNC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000601336316 653086805 /nfs/dbraw/zinc/08/68/05/653086805.db2.gz KMKBQCIOBFGQQP-DLBZAZTESA-N 0 1 396.329 2.498 20 0 GEADMN Cc1cc(Br)ccc1CNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000601336317 653086936 /nfs/dbraw/zinc/08/69/36/653086936.db2.gz KMKBQCIOBFGQQP-IAGOWNOFSA-N 0 1 396.329 2.498 20 0 GEADMN O=C(c1cc(C(F)F)[nH]n1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000640057752 653094607 /nfs/dbraw/zinc/09/46/07/653094607.db2.gz BIKXOZSYVPFXLZ-GFCCVEGCSA-N 0 1 399.195 2.423 20 0 GEADMN CN(CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N1CCN(C)CC1 ZINC000640060043 653094691 /nfs/dbraw/zinc/09/46/91/653094691.db2.gz XPVOIPLQFMPLNU-UHFFFAOYSA-N 0 1 387.311 2.028 20 0 GEADMN Cc1cc(Br)cc2c(C(=O)N3CCO[C@H](c4nn[nH]n4)C3)coc21 ZINC000771331545 653104453 /nfs/dbraw/zinc/10/44/53/653104453.db2.gz QMEDIUDKEVYUSL-LBPRGKRZSA-N 0 1 392.213 2.231 20 0 GEADMN O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)NOCC(F)(F)F ZINC000768291389 653108523 /nfs/dbraw/zinc/10/85/23/653108523.db2.gz MKPOUXFRSGQFRC-UHFFFAOYSA-N 0 1 375.328 2.254 20 0 GEADMN Brc1cc2c(cc1CN1CCN(C[C@H]3CCCO3)CC1)OCO2 ZINC000601598425 653112376 /nfs/dbraw/zinc/11/23/76/653112376.db2.gz RNIKXIVICNSFIB-CQSZACIVSA-N 0 1 383.286 2.474 20 0 GEADMN COc1cccc([C@H](CNC(=O)Nc2nn(C)cc2Br)N(C)C)c1 ZINC000640309051 653113940 /nfs/dbraw/zinc/11/39/40/653113940.db2.gz WKWAOONSAWPYLT-AWEZNQCLSA-N 0 1 396.289 2.616 20 0 GEADMN O=C(OCCn1cc(Br)ccc1=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000771530716 653114518 /nfs/dbraw/zinc/11/45/18/653114518.db2.gz KBTFBVHKSFWYEN-UHFFFAOYSA-N 0 1 389.209 2.253 20 0 GEADMN 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