smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](CSc1ccccc1)CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000000538656 557018399 /nfs/dbraw/zinc/01/83/99/557018399.db2.gz JXAGDPXECXQWBC-LJQANCHMSA-N -1 0 410.922 6.073 50 0 investigational HKAARM CCc1oc2ccccc2c1C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000000608205 557019014 /nfs/dbraw/zinc/01/90/14/557019014.db2.gz WHQCHUCQKNIQEC-UHFFFAOYSA-N -1 0 424.088 5.457 50 0 world HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1cccc2cccnc21 ZINC000000630454 557026186 /nfs/dbraw/zinc/02/61/86/557026186.db2.gz DKSKJESJQWHBTP-UHFFFAOYSA-N -1 0 417.515 5.312 50 0 HKAARM COc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])cc1 ZINC000000640932 569012381 /nfs/dbraw/zinc/01/23/81/569012381.db2.gz RVJMTOLPAUNJBF-UHFFFAOYSA-N -1 0 409.052 5.259 50 0 HKAARM CCOc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])cc1 ZINC000000640937 557032612 /nfs/dbraw/zinc/03/26/12/557032612.db2.gz ZIVSQSTVTHKPJI-UHFFFAOYSA-N -1 0 423.079 5.649 50 0 HKAARM Cc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c(C)c1 ZINC000000640939 569012365 /nfs/dbraw/zinc/01/23/65/569012365.db2.gz NNLBPNHWECTGNH-UHFFFAOYSA-N -1 0 407.080 5.868 50 0 HKAARM Cc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])cc1C ZINC000000640942 569012368 /nfs/dbraw/zinc/01/23/68/569012368.db2.gz PQELCECLJMNUFX-UHFFFAOYSA-N -1 0 407.080 5.868 50 0 HKAARM CCc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])cc1 ZINC000000640944 569012370 /nfs/dbraw/zinc/01/23/70/569012370.db2.gz PDVCGBIHKAPUCR-UHFFFAOYSA-N -1 0 407.080 5.813 50 0 HKAARM CN(C)c1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])cc1 ZINC000000641097 569012374 /nfs/dbraw/zinc/01/23/74/569012374.db2.gz JNBONHYAAFZKLE-UHFFFAOYSA-N -1 0 422.095 5.317 50 0 HKAARM COc1ccc(C)cc1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000641101 569012364 /nfs/dbraw/zinc/01/23/64/569012364.db2.gz GBULVLHIIOAXDT-UHFFFAOYSA-N -1 0 423.079 5.568 50 0 HKAARM COc1cccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c1 ZINC000000641104 569012382 /nfs/dbraw/zinc/01/23/82/569012382.db2.gz GGQKRXAHBCDGDR-UHFFFAOYSA-N -1 0 409.052 5.259 50 0 HKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)n1ccc2ccccc21 ZINC000000641383 557032930 /nfs/dbraw/zinc/03/29/30/557032930.db2.gz TTXCUKIMKSTSQV-UHFFFAOYSA-N -1 0 403.048 5.642 50 0 HKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000000641395 560178532 /nfs/dbraw/zinc/17/85/32/560178532.db2.gz NRHNTNMBNZODJZ-UHFFFAOYSA-N -1 0 419.051 5.127 50 0 in-vitro HKAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000000641804 557032896 /nfs/dbraw/zinc/03/28/96/557032896.db2.gz HPYRQJQOBVOVDK-UHFFFAOYSA-N -1 0 401.098 5.110 50 0 HKAARM CCOc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c(OCC)c1 ZINC000000647366 568457272 /nfs/dbraw/zinc/45/72/72/568457272.db2.gz KZYDJVKDQJNUED-UHFFFAOYSA-N -1 0 416.271 5.160 50 0 HKAARM CC(C)COc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000000647943 568457450 /nfs/dbraw/zinc/45/74/50/568457450.db2.gz WIYHSZPCGUJZJT-UHFFFAOYSA-N -1 0 400.272 5.397 50 0 HKAARM Cc1c(-c2ccc(OC(C)C)cc2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000000651969 568459460 /nfs/dbraw/zinc/45/94/60/568459460.db2.gz ZCOJCACYONAOHV-UHFFFAOYSA-N -1 0 400.272 5.458 50 0 HKAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000000656425 557041155 /nfs/dbraw/zinc/04/11/55/557041155.db2.gz YZRVOBODOUKZBP-RBUKOAKNSA-N -1 0 406.507 5.307 50 0 HKAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000000656427 557041138 /nfs/dbraw/zinc/04/11/38/557041138.db2.gz YZRVOBODOUKZBP-RTBURBONSA-N -1 0 406.507 5.307 50 0 HKAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000000656430 557041172 /nfs/dbraw/zinc/04/11/72/557041172.db2.gz YZRVOBODOUKZBP-OALUTQOASA-N -1 0 406.507 5.307 50 0 HKAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000000656433 557041120 /nfs/dbraw/zinc/04/11/20/557041120.db2.gz YZRVOBODOUKZBP-MOPGFXCFSA-N -1 0 406.507 5.307 50 0 HKAARM O=C([O-])Cc1sc(Nc2ccccc2F)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000000657580 560725035 /nfs/dbraw/zinc/72/50/35/560725035.db2.gz MEKOPPMKAFJRKX-UHFFFAOYSA-N -1 0 420.465 6.112 50 0 HKAARM O=C([O-])C1[C@@H](c2ccccc2)C(C(=O)Oc2cccc3ccccc32)[C@@H]1c1ccccc1 ZINC000000659558 568460066 /nfs/dbraw/zinc/46/00/66/568460066.db2.gz NVOKBONTLOAJKA-TYPLQMOASA-N -1 0 422.480 5.643 50 0 HKAARM O=C([O-])C1[C@H](c2ccccc2)C(C(=O)Oc2cccc3ccccc32)[C@H]1c1ccccc1 ZINC000000659559 568460029 /nfs/dbraw/zinc/46/00/29/568460029.db2.gz NVOKBONTLOAJKA-ZCCOPBOASA-N -1 0 422.480 5.643 50 0 HKAARM O=C([O-])c1cc(-c2cccc(Br)c2)nc2ccc(Br)cc21 ZINC000000672171 557050039 /nfs/dbraw/zinc/05/00/39/557050039.db2.gz WAFMZMLZEJHETP-UHFFFAOYSA-N -1 0 407.061 5.125 50 0 HKAARM COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000000673475 568461232 /nfs/dbraw/zinc/46/12/32/568461232.db2.gz RUUNSVYQEPGSKB-UHFFFAOYSA-N -1 0 412.445 5.169 50 0 HKAARM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000000679328 557055086 /nfs/dbraw/zinc/05/50/86/557055086.db2.gz IRNNFZWJRKUOIZ-UHFFFAOYSA-N -1 0 410.109 5.133 50 0 HKAARM CC(C)COc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000000685665 557058312 /nfs/dbraw/zinc/05/83/12/557058312.db2.gz XXFFODPQIJUART-UHFFFAOYSA-N -1 0 400.272 5.397 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 ZINC000000688065 557059693 /nfs/dbraw/zinc/05/96/93/557059693.db2.gz OPNAJNYFSYMAAL-JOCHJYFZSA-N -1 0 413.498 6.165 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@H](c2ccccc2)C1 ZINC000000688066 557059709 /nfs/dbraw/zinc/05/97/09/557059709.db2.gz OPNAJNYFSYMAAL-QFIPXVFZSA-N -1 0 413.498 6.165 50 0 HKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000692719 557060955 /nfs/dbraw/zinc/06/09/55/557060955.db2.gz KFMQFLDKBRDILL-UHFFFAOYSA-N -1 0 401.340 5.203 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC[C@](C)(C(=O)[O-])C4(C)C)cc3)sc2c1 ZINC000000705195 557063311 /nfs/dbraw/zinc/06/33/11/557063311.db2.gz KMRYYYNQJSCGDY-MZNJEOGPSA-N -1 0 422.550 5.737 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC[C@](C)(C(=O)[O-])C4(C)C)cc3)sc2c1 ZINC000000705196 557063360 /nfs/dbraw/zinc/06/33/60/557063360.db2.gz KMRYYYNQJSCGDY-BXKMTCNYSA-N -1 0 422.550 5.737 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC[C@@](C)(C(=O)[O-])C4(C)C)cc3)sc2c1 ZINC000000705197 557063757 /nfs/dbraw/zinc/06/37/57/557063757.db2.gz KMRYYYNQJSCGDY-OSPHWJPCSA-N -1 0 422.550 5.737 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC[C@@](C)(C(=O)[O-])C4(C)C)cc3)sc2c1 ZINC000000705198 557063709 /nfs/dbraw/zinc/06/37/09/557063709.db2.gz KMRYYYNQJSCGDY-XDHUDOTRSA-N -1 0 422.550 5.737 50 0 HKAARM O=C([O-])c1c(NC(=O)/C=C/c2ccco2)scc1-c1ccc(Br)cc1 ZINC000000708880 557065209 /nfs/dbraw/zinc/06/52/09/557065209.db2.gz DKDXOSZZKFDCTB-BQYQJAHWSA-N -1 0 418.268 5.121 50 0 HKAARM O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1cccc(Br)c1 ZINC000000714990 568465792 /nfs/dbraw/zinc/46/57/92/568465792.db2.gz DGQIDARAMSAMKX-UHFFFAOYSA-N -1 0 402.269 5.128 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Oc2cccc3ccccc32)cc1 ZINC000000722010 571041243 /nfs/dbraw/zinc/04/12/43/571041243.db2.gz JSTWCDZAKWGXPI-UHFFFAOYSA-N -1 0 417.486 5.168 50 0 HKAARM O=C([O-])c1nc2ccccc2c(NC[C@H]2c3ccccc3CSc3ccccc32)n1 ZINC000000722210 557070848 /nfs/dbraw/zinc/07/08/48/557070848.db2.gz ITKIBTKOQKQUMW-IBGZPJMESA-N -1 0 413.502 5.178 50 0 HKAARM O=C([O-])c1nc2ccccc2c(NC[C@@H]2c3ccccc3CSc3ccccc32)n1 ZINC000000722211 557070815 /nfs/dbraw/zinc/07/08/15/557070815.db2.gz ITKIBTKOQKQUMW-LJQANCHMSA-N -1 0 413.502 5.178 50 0 HKAARM COc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000826722 557094172 /nfs/dbraw/zinc/09/41/72/557094172.db2.gz VOBXHLGDOVDBAF-UHFFFAOYSA-N -1 0 400.434 5.126 50 0 HKAARM O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000000826963 557094444 /nfs/dbraw/zinc/09/44/44/557094444.db2.gz VUAGHTSSJWHKKE-UHFFFAOYSA-N -1 0 419.278 5.871 50 0 HKAARM O=C1CCCc2oc3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc3c21 ZINC000000844080 568698861 /nfs/dbraw/zinc/69/88/61/568698861.db2.gz QRRWISCUFWINHN-UHFFFAOYSA-N -1 0 410.278 5.059 50 0 HKAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000000846072 568710521 /nfs/dbraw/zinc/71/05/21/568710521.db2.gz JREAHNRUOIDLPA-UHFFFAOYSA-N -1 0 413.454 6.081 50 0 HKAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000000847739 557099853 /nfs/dbraw/zinc/09/98/53/557099853.db2.gz TUNDEEVSAKNCSZ-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM O=C([O-])c1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)cc1 ZINC000000850400 557100632 /nfs/dbraw/zinc/10/06/32/557100632.db2.gz QQUBTOQQOGRENN-UHFFFAOYSA-N -1 0 420.266 5.501 50 0 HKAARM O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4ccccc42)C3=O)cc1 ZINC000000850610 568712107 /nfs/dbraw/zinc/71/21/07/568712107.db2.gz YPNGMYRJYQBQFX-UHFFFAOYSA-N -1 0 409.397 5.131 50 0 HKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000854344 557102140 /nfs/dbraw/zinc/10/21/40/557102140.db2.gz GOCHUQCXRYFVHY-UHFFFAOYSA-N -1 0 400.459 5.428 50 0 HKAARM O=c1oc2cc([O-])ccc2cc1-c1nnc(Nc2ccc(Cl)cc2Cl)s1 ZINC000000856304 568713111 /nfs/dbraw/zinc/71/31/11/568713111.db2.gz BAIBPOJXVQJGRC-UHFFFAOYSA-N -1 0 406.250 5.068 50 0 biogenic HKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000874659 568732994 /nfs/dbraw/zinc/73/29/94/568732994.db2.gz DPPAVCNOAUWULI-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM COc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)c(C(=O)[O-])cc1OC ZINC000000887823 522689774 /nfs/dbraw/zinc/68/97/74/522689774.db2.gz YPZQTVOIPBPDHQ-UHFFFAOYSA-N -1 0 422.462 5.237 50 0 HKAARM Cc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)o2)c(Br)c1 ZINC000000934721 568751691 /nfs/dbraw/zinc/75/16/91/568751691.db2.gz UWFFDTSLVUKDBG-UHFFFAOYSA-N -1 0 408.251 5.931 50 0 HKAARM Cc1ccc2nc(-c3ccc(-c4cccc(Br)c4)o3)cc(C(=O)[O-])c2c1 ZINC000000934725 568751663 /nfs/dbraw/zinc/75/16/63/568751663.db2.gz CFZBJPZTTARIGP-UHFFFAOYSA-N -1 0 408.251 5.931 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(Br)c3)o2)nc2ccc(F)cc21 ZINC000000934727 568751621 /nfs/dbraw/zinc/75/16/21/568751621.db2.gz VIKDTWUZIWKKEX-UHFFFAOYSA-N -1 0 412.214 5.762 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccc(F)cc21 ZINC000000934728 568751633 /nfs/dbraw/zinc/75/16/33/568751633.db2.gz FPENKCWRANZFTN-UHFFFAOYSA-N -1 0 402.208 6.306 50 0 HKAARM CCc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)cc1 ZINC000000934737 568751642 /nfs/dbraw/zinc/75/16/42/568751642.db2.gz MLKPEQBQBCOJOK-UHFFFAOYSA-N -1 0 422.278 6.185 50 0 HKAARM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 ZINC000000936094 568751443 /nfs/dbraw/zinc/75/14/43/568751443.db2.gz BEIUMMDOPMTMKO-UHFFFAOYSA-N -1 0 409.747 5.569 50 0 HKAARM O=C([O-])c1cc(-c2ccccc2)nc2c(Br)cc(Br)cc12 ZINC000000937115 557120523 /nfs/dbraw/zinc/12/05/23/557120523.db2.gz XKEHMDIRAABOTH-UHFFFAOYSA-N -1 0 407.061 5.125 50 0 HKAARM C[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 ZINC000000944101 568754217 /nfs/dbraw/zinc/75/42/17/568754217.db2.gz GTPLEWHXSKNJIB-NSHDSACASA-N -1 0 410.322 5.665 50 0 HKAARM C[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 ZINC000000944102 568754213 /nfs/dbraw/zinc/75/42/13/568754213.db2.gz GTPLEWHXSKNJIB-LLVKDONJSA-N -1 0 410.322 5.665 50 0 HKAARM O=C([O-])c1c2cc(OCc3ccc(Br)cc3)ccc2oc1-c1ccccc1 ZINC000000946556 568754530 /nfs/dbraw/zinc/75/45/30/568754530.db2.gz YAIJXSLQRXOJBI-UHFFFAOYSA-N -1 0 423.262 6.140 50 0 HKAARM CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000951960 568757260 /nfs/dbraw/zinc/75/72/60/568757260.db2.gz OOMKCDPDYUGILE-UHFFFAOYSA-N -1 0 405.237 5.160 50 0 HKAARM CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1cc(C(=O)[O-])ccc1C ZINC000000951961 568757213 /nfs/dbraw/zinc/75/72/13/568757213.db2.gz KKZZONKTTJESIO-UHFFFAOYSA-N -1 0 419.264 5.469 50 0 HKAARM CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000951962 568757246 /nfs/dbraw/zinc/75/72/46/568757246.db2.gz ACMOGWWZZDHYSQ-UHFFFAOYSA-N -1 0 405.237 5.160 50 0 HKAARM CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cc(C(=O)[O-])ccc1C ZINC000000952242 568757215 /nfs/dbraw/zinc/75/72/15/568757215.db2.gz GKHAEVQCPIBHDS-UHFFFAOYSA-N -1 0 419.264 5.469 50 0 HKAARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc2ccccc12 ZINC000000982404 568760355 /nfs/dbraw/zinc/76/03/55/568760355.db2.gz VREQEOJWDZPEIQ-PDGQHHTCSA-N -1 0 421.250 5.109 50 0 HKAARM O=C([O-])Cc1cc(C(=O)Nc2ccc(Br)cc2)sc1-c1ccccc1 ZINC000000983714 568760511 /nfs/dbraw/zinc/76/05/11/568760511.db2.gz NBPVGVWLWPIQKT-UHFFFAOYSA-N -1 0 416.296 5.057 50 0 HKAARM S=c1[n-]nc(CCn2cnc(-c3ccccc3)c2-c2ccccc2)n1-c1ccccc1 ZINC000000984803 557131788 /nfs/dbraw/zinc/13/17/88/557131788.db2.gz ZUNUWBRBUCCOAX-UHFFFAOYSA-N -1 0 423.545 5.703 50 0 HKAARM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 ZINC000000991962 557135411 /nfs/dbraw/zinc/13/54/11/557135411.db2.gz PBNBZGYMHOIVRE-UHFFFAOYSA-N -1 0 408.306 5.895 50 0 HKAARM O=C([O-])c1cc(-c2ccc3c4c(cccc42)CC3)nc2ccc(Br)cc21 ZINC000000999575 568761219 /nfs/dbraw/zinc/76/12/19/568761219.db2.gz VLQRDALRCFTKKT-UHFFFAOYSA-N -1 0 404.263 5.614 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Br)s2)nc2ccc(Br)cc21 ZINC000000999577 568761244 /nfs/dbraw/zinc/76/12/44/568761244.db2.gz ADJGRPLLZMWNMD-UHFFFAOYSA-N -1 0 413.090 5.187 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc21 ZINC000000999583 557139553 /nfs/dbraw/zinc/13/95/53/557139553.db2.gz JTOIYLWKTKYNBG-UHFFFAOYSA-N -1 0 407.061 5.125 50 0 HKAARM O=C([O-])c1ccccc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc34)o2)o1 ZINC000001011009 569029679 /nfs/dbraw/zinc/02/96/79/569029679.db2.gz JAIXCJHPBAKHRC-VULFUBBASA-N -1 0 424.412 5.308 50 0 HKAARM O=C1S/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000001011718 557142015 /nfs/dbraw/zinc/14/20/15/557142015.db2.gz MYTMWQCAMDTTEW-MLPAPPSSSA-N -1 0 400.670 5.593 50 0 HKAARM O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000001011722 557142007 /nfs/dbraw/zinc/14/20/07/557142007.db2.gz QVOQMTMVDHSFFM-MLPAPPSSSA-N -1 0 400.670 5.593 50 0 HKAARM O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000001011848 557141984 /nfs/dbraw/zinc/14/19/84/557141984.db2.gz UHMOFVUAZMUJEP-QPEQYQDCSA-N -1 0 400.670 5.593 50 0 HKAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1csc(-c2ccccc2)n1 ZINC000001014121 568763141 /nfs/dbraw/zinc/76/31/41/568763141.db2.gz GEQNEXVTPOFQQD-UHFFFAOYSA-N -1 0 421.474 5.028 50 0 HKAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccccc1 ZINC000001025495 569029712 /nfs/dbraw/zinc/02/97/12/569029712.db2.gz XJOCRCVEBVGUTO-UHFFFAOYSA-N -1 0 415.536 5.009 50 0 HKAARM O=S(=O)([N-]c1ccc(Br)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000001027558 568763892 /nfs/dbraw/zinc/76/38/92/568763892.db2.gz VPCCPCOXSNMWOY-UHFFFAOYSA-N -1 0 415.523 5.210 50 0 HKAARM CC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000001027767 557145720 /nfs/dbraw/zinc/14/57/20/557145720.db2.gz KGOVHTHIBLAJMO-UHFFFAOYSA-N -1 0 413.564 5.716 50 0 HKAARM CC(=O)c1sc(-c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001027867 557145540 /nfs/dbraw/zinc/14/55/40/557145540.db2.gz HASMYTKKVYZUJF-UHFFFAOYSA-N -1 0 409.891 5.211 50 0 HKAARM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000001027875 557145623 /nfs/dbraw/zinc/14/56/23/557145623.db2.gz LRYNXXJSVNOBFJ-UHFFFAOYSA-N -1 0 419.955 5.689 50 0 HKAARM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000001027916 557145556 /nfs/dbraw/zinc/14/55/56/557145556.db2.gz HJMKNGJNTBYLTI-UHFFFAOYSA-N -1 0 405.928 5.380 50 0 HKAARM Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1-c1nc2ccccc2s1 ZINC000001028598 557145969 /nfs/dbraw/zinc/14/59/69/557145969.db2.gz UJPDPAGWXRMEKU-UHFFFAOYSA-N -1 0 420.968 5.787 50 0 HKAARM CCc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC000001032590 557147871 /nfs/dbraw/zinc/14/78/71/557147871.db2.gz BFXSRHRVBVFAEH-UHFFFAOYSA-N -1 0 422.333 6.149 50 0 HKAARM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000001034015 132235449 /nfs/dbraw/zinc/23/54/49/132235449.db2.gz CFJACDALIPPACZ-UHFFFAOYSA-N -1 0 420.987 5.654 50 0 HKAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cn2)cc1 ZINC000001034049 557149050 /nfs/dbraw/zinc/14/90/50/557149050.db2.gz LKKWHXJQEFEZBT-UHFFFAOYSA-N -1 0 410.514 5.535 50 0 HKAARM Cc1ccc(Oc2ncccc2NC(=O)CC2(CC(=O)[O-])CCCC2)c2c1CCC2 ZINC000001034347 557149426 /nfs/dbraw/zinc/14/94/26/557149426.db2.gz BDPCCULZYGHWHU-UHFFFAOYSA-N -1 0 408.498 5.035 50 0 HKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 ZINC000001035279 569356634 /nfs/dbraw/zinc/35/66/34/569356634.db2.gz ODRCWUWHOJKSQB-UHFFFAOYSA-N -1 0 403.221 5.131 50 0 HKAARM O=c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(-c3ccccc3)[n-]n21 ZINC000001038725 557152047 /nfs/dbraw/zinc/15/20/47/557152047.db2.gz KSHANTJBQKKZKZ-UHFFFAOYSA-N -1 0 423.316 5.394 50 0 HKAARM CC(C)(C)c1cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(=O)n2[n-]1 ZINC000001038726 569276980 /nfs/dbraw/zinc/27/69/80/569276980.db2.gz APGIZLUAGAODEM-UHFFFAOYSA-N -1 0 403.326 5.025 50 0 HKAARM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000001040576 557153133 /nfs/dbraw/zinc/15/31/33/557153133.db2.gz KOYCZKMBDOUKBV-UHFFFAOYSA-N -1 0 416.749 5.426 50 0 HKAARM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000001040624 557153111 /nfs/dbraw/zinc/15/31/11/557153111.db2.gz HFEGJPBHMMKGMP-UHFFFAOYSA-N -1 0 406.743 5.971 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC000001040727 557153104 /nfs/dbraw/zinc/15/31/04/557153104.db2.gz FJZSSJHMIFWQIK-UHFFFAOYSA-N -1 0 408.306 5.895 50 0 HKAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001041446 557153413 /nfs/dbraw/zinc/15/34/13/557153413.db2.gz KMCSNINJDQEUSB-KRWDZBQOSA-N -1 0 409.869 5.719 50 0 HKAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001041447 557153440 /nfs/dbraw/zinc/15/34/40/557153440.db2.gz KMCSNINJDQEUSB-QGZVFWFLSA-N -1 0 409.869 5.719 50 0 HKAARM CC(C)c1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(Cl)cc2)cc1 ZINC000001043432 557154647 /nfs/dbraw/zinc/15/46/47/557154647.db2.gz FYGLTZAUGHMXOD-UHFFFAOYSA-N -1 0 402.903 5.452 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001043437 557154510 /nfs/dbraw/zinc/15/45/10/557154510.db2.gz SSRXPQHIXRFDON-UHFFFAOYSA-N -1 0 423.321 5.077 50 0 HKAARM CCCc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1Cc1c(F)cccc1Cl ZINC000001044826 557155793 /nfs/dbraw/zinc/15/57/93/557155793.db2.gz OBASEVWDWUVUTI-HNNXBMFYSA-N -1 0 407.272 5.130 50 0 HKAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1 ZINC000001046996 557156688 /nfs/dbraw/zinc/15/66/88/557156688.db2.gz NVHUCGSFCRBKBT-QZTJIDSGSA-N -1 0 414.889 5.234 50 0 HKAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1 ZINC000001046997 557156589 /nfs/dbraw/zinc/15/65/89/557156589.db2.gz NVHUCGSFCRBKBT-MSOLQXFVSA-N -1 0 414.889 5.234 50 0 HKAARM Cc1nc(SCC(=O)c2ccc(Cl)cc2)[n-]c(=O)c1Oc1ccc(Cl)cc1 ZINC000001047894 557157467 /nfs/dbraw/zinc/15/74/67/557157467.db2.gz UIJWHHXRHCELPZ-UHFFFAOYSA-N -1 0 421.305 5.565 50 0 HKAARM Cc1nc(-c2ccc(C(F)(F)F)cc2)[n-]c(=O)c1Oc1cccc(C(F)(F)F)c1 ZINC000001047921 557157457 /nfs/dbraw/zinc/15/74/57/557157457.db2.gz MQBCUWBGVAMRJH-UHFFFAOYSA-N -1 0 414.305 5.575 50 0 HKAARM Cc1nc(-c2ccc(C(F)(F)F)cc2)[n-]c(=O)c1Oc1ccc(Cl)cc1Cl ZINC000001047922 557157462 /nfs/dbraw/zinc/15/74/62/557157462.db2.gz DAMRKTJHSDKMCI-UHFFFAOYSA-N -1 0 415.198 5.863 50 0 HKAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000001048771 557158129 /nfs/dbraw/zinc/15/81/29/557158129.db2.gz KMQKUAXDQBBISO-UHFFFAOYSA-N -1 0 424.353 5.277 50 0 HKAARM COc1ccc([N-]C(=S)Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000001052251 568765225 /nfs/dbraw/zinc/76/52/25/568765225.db2.gz HTBVKWIUYLFPJS-UHFFFAOYSA-N -1 0 406.507 5.340 50 0 HKAARM O=C(Nc1ccc(F)cc1)c1cccc(OC(=S)[N-]c2ccc(Cl)cc2)c1 ZINC000001052287 568765298 /nfs/dbraw/zinc/76/52/98/568765298.db2.gz PVJUNGNAGOMHPI-UHFFFAOYSA-N -1 0 400.862 5.507 50 0 HKAARM CC(C)(C)c1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc(C(C)(C)C)c1F ZINC000001060742 557163737 /nfs/dbraw/zinc/16/37/37/557163737.db2.gz MMGQGMWVJSZCSR-UHFFFAOYSA-N -1 0 414.546 5.770 50 0 biogenic HKAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000001064510 568766403 /nfs/dbraw/zinc/76/64/03/568766403.db2.gz IIQDAYIWPCEPHY-HSZRJFAPSA-N -1 0 418.880 5.269 50 0 HKAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000001064512 568766474 /nfs/dbraw/zinc/76/64/74/568766474.db2.gz IIQDAYIWPCEPHY-QHCPKHFHSA-N -1 0 418.880 5.269 50 0 HKAARM CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001066582 560180391 /nfs/dbraw/zinc/18/03/91/560180391.db2.gz JNIQPWWGQWIPLQ-UHFFFAOYSA-N -1 0 416.477 5.187 50 0 in-vitro HKAARM O=C([O-])c1ccc(NCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1 ZINC000001071982 557169975 /nfs/dbraw/zinc/16/99/75/557169975.db2.gz WCDGAMMJLZDUAT-UHFFFAOYSA-N -1 0 421.884 5.079 50 0 aggregator HKAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000001073221 557171298 /nfs/dbraw/zinc/17/12/98/557171298.db2.gz VTIISQSRTCDJGP-UHFFFAOYSA-N -1 0 403.887 5.250 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000001074023 557171964 /nfs/dbraw/zinc/17/19/64/557171964.db2.gz JIEBDMWZGRVLQL-UHFFFAOYSA-N -1 0 408.523 5.172 50 0 HKAARM O=C([O-])c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)c1 ZINC000001074120 557171949 /nfs/dbraw/zinc/17/19/49/557171949.db2.gz QVGAABABNHIXCZ-UHFFFAOYSA-N -1 0 402.837 5.506 50 0 HKAARM O=C([O-])c1ccc(NC(=O)CSC2c3ccccc3Sc3ccccc32)cc1 ZINC000001077310 557174043 /nfs/dbraw/zinc/17/40/43/557174043.db2.gz AUOWHFKENORQMN-UHFFFAOYSA-N -1 0 407.516 5.311 50 0 HKAARM O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1sc2ccccc2c1Cl ZINC000001096287 557178163 /nfs/dbraw/zinc/17/81/63/557178163.db2.gz ISJIADUWSPBYFR-UHFFFAOYSA-N -1 0 424.909 5.424 50 0 HKAARM Cc1ccccc1[N-]C(=S)Oc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000001097673 557178465 /nfs/dbraw/zinc/17/84/65/557178465.db2.gz FOQHJDJTZOHPEO-UHFFFAOYSA-N -1 0 412.514 6.176 50 0 HKAARM O=C([O-])c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1 ZINC000001108787 557181699 /nfs/dbraw/zinc/18/16/99/557181699.db2.gz DKADWQPHTMCPKV-UHFFFAOYSA-N -1 0 417.852 5.143 50 0 HKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000001109453 557182369 /nfs/dbraw/zinc/18/23/69/557182369.db2.gz PGZVQEPLMXQROY-UHFFFAOYSA-N -1 0 411.461 5.107 50 0 HKAARM O=C([O-])c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)s2)c1 ZINC000001110240 568771027 /nfs/dbraw/zinc/77/10/27/568771027.db2.gz JFBYCNCKQKDIPF-UHFFFAOYSA-N -1 0 423.881 5.205 50 0 HKAARM O=C([O-])c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1 ZINC000001110585 557183182 /nfs/dbraw/zinc/18/31/82/557183182.db2.gz SKSDBNFSBXOZKS-UHFFFAOYSA-N -1 0 423.428 5.236 50 0 HKAARM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001110807 557183548 /nfs/dbraw/zinc/18/35/48/557183548.db2.gz STEHLMSNAQDCGI-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM COC(=O)c1cc(-c2ccccc2)sc1NC(=S)[N-]c1ccccc1SC ZINC000001120654 557190666 /nfs/dbraw/zinc/19/06/66/557190666.db2.gz BPLVHHXJBQMZNL-UHFFFAOYSA-N -1 0 414.577 5.733 50 0 HKAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c(Cl)c1Cl ZINC000001131966 557198765 /nfs/dbraw/zinc/19/87/65/557198765.db2.gz BMMDQUADMRVHQH-UHFFFAOYSA-N -1 0 408.306 5.470 50 0 HKAARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000001138751 557202716 /nfs/dbraw/zinc/20/27/16/557202716.db2.gz IUOAOYQGHSRMSV-UHFFFAOYSA-N -1 0 404.624 5.466 50 0 HKAARM O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1c1ccccc1Cl ZINC000001140557 557203502 /nfs/dbraw/zinc/20/35/02/557203502.db2.gz VXXPTEAORHWTPZ-QPEQYQDCSA-N -1 0 400.670 5.593 50 0 HKAARM C[C@H](NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])c1cccs1 ZINC000001145993 557207974 /nfs/dbraw/zinc/20/79/74/557207974.db2.gz DZQHJTBIGOAMEU-YFKPBYRVSA-N -1 0 413.109 5.551 50 0 HKAARM C[C@@H](NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])c1cccs1 ZINC000001145995 557207977 /nfs/dbraw/zinc/20/79/77/557207977.db2.gz DZQHJTBIGOAMEU-RXMQYKEDSA-N -1 0 413.109 5.551 50 0 HKAARM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc(Br)s1 ZINC000001148227 560727381 /nfs/dbraw/zinc/72/73/81/560727381.db2.gz GISSFGIHHRVFIJ-UHFFFAOYSA-N -1 0 410.314 5.104 50 0 HKAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000001148787 557209682 /nfs/dbraw/zinc/20/96/82/557209682.db2.gz NRSBNKKOEUODGB-UHFFFAOYSA-N -1 0 416.477 5.187 50 0 HKAARM CCOC(=O)c1c2cc(O[C@H](C(=O)[O-])c3ccccc3)ccc2oc1-c1ccccc1 ZINC000001156160 568775013 /nfs/dbraw/zinc/77/50/13/568775013.db2.gz SPEXQQRNXGRYGX-QHCPKHFHSA-N -1 0 416.429 5.481 50 0 biogenic HKAARM CCOC(=O)c1c2cc(O[C@@H](C(=O)[O-])c3ccccc3)ccc2oc1-c1ccccc1 ZINC000001156161 568775101 /nfs/dbraw/zinc/77/51/01/568775101.db2.gz SPEXQQRNXGRYGX-HSZRJFAPSA-N -1 0 416.429 5.481 50 0 biogenic HKAARM Cc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2CC(=O)[O-])cc1C ZINC000001174798 557226938 /nfs/dbraw/zinc/22/69/38/557226938.db2.gz PMEQLXHSMBYVPH-UHFFFAOYSA-N -1 0 417.328 5.560 50 0 HKAARM CCc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2CC(=O)[O-])cc1 ZINC000001175007 557227041 /nfs/dbraw/zinc/22/70/41/557227041.db2.gz JIKRPDGSKGTZOT-UHFFFAOYSA-N -1 0 417.328 5.506 50 0 HKAARM Cc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2CC(=O)[O-])c(C)c1 ZINC000001176067 557227538 /nfs/dbraw/zinc/22/75/38/557227538.db2.gz URLNZKOZKSOTOE-UHFFFAOYSA-N -1 0 417.328 5.560 50 0 HKAARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001178845 132240772 /nfs/dbraw/zinc/24/07/72/132240772.db2.gz CYMMKJJSFDUJLM-PJQLUOCWSA-N -1 0 416.289 5.146 50 0 HKAARM O=C1S/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(=O)N1Cc1ccccc1Cl ZINC000001180069 557229929 /nfs/dbraw/zinc/22/99/29/557229929.db2.gz OJFNBFFRYCGBBH-NSIKDUERSA-N -1 0 414.697 5.589 50 0 HKAARM Cc1oc2cc(Br)c([O-])c(Br)c2c1C(=O)c1ccccc1 ZINC000001193761 557236972 /nfs/dbraw/zinc/23/69/72/557236972.db2.gz VZVYGYHPEJFHFM-UHFFFAOYSA-N -1 0 410.061 5.203 50 0 HKAARM CCOc1ccc2nc(NC(=O)c3ccccc3-c3ccccc3C(=O)[O-])sc2c1 ZINC000001196328 557238023 /nfs/dbraw/zinc/23/80/23/557238023.db2.gz XQJPGGJXZRLNRM-UHFFFAOYSA-N -1 0 418.474 5.313 50 0 HKAARM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000001230400 557249388 /nfs/dbraw/zinc/24/93/88/557249388.db2.gz BIVMEKUFDYCDEQ-UHFFFAOYSA-N -1 0 408.306 5.373 50 0 HKAARM O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000001230687 557249370 /nfs/dbraw/zinc/24/93/70/557249370.db2.gz VEDAHYCNIIPSFZ-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000001230717 557249435 /nfs/dbraw/zinc/24/94/35/557249435.db2.gz UFHBOOWIUWXHEL-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM COc1cc2c(C(=O)[O-])c(C)n(-c3cccc(Br)c3)c2c2ccccc12 ZINC000001251801 568908753 /nfs/dbraw/zinc/90/87/53/568908753.db2.gz AGKBIENKJDFRCS-UHFFFAOYSA-N -1 0 410.267 5.561 50 0 HKAARM Cc1cc(C(F)(F)F)nc([N-]c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000001312205 557254862 /nfs/dbraw/zinc/25/48/62/557254862.db2.gz LIAAVOGSYUPGLI-UHFFFAOYSA-N -1 0 415.806 5.811 50 0 HKAARM Cc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001388512 568923028 /nfs/dbraw/zinc/92/30/28/568923028.db2.gz LQIZNLYXYFMRRD-UHFFFAOYSA-N -1 0 419.550 5.119 50 0 HKAARM Cc1cc2c(ncn2C(C)C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000001388514 568923087 /nfs/dbraw/zinc/92/30/87/568923087.db2.gz SMYIIAYYFUTYMM-UHFFFAOYSA-N -1 0 412.342 5.342 50 0 HKAARM Cc1cc2c(ncn2C(C)C)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000001388523 568923038 /nfs/dbraw/zinc/92/30/38/568923038.db2.gz WKKQTQKKPCCGQQ-UHFFFAOYSA-N -1 0 411.449 5.054 50 0 HKAARM Cc1cc2c(ncn2C(C)C)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000001388526 568923186 /nfs/dbraw/zinc/92/31/86/568923186.db2.gz WIALLEQSEVHITI-UHFFFAOYSA-N -1 0 412.342 5.342 50 0 HKAARM CCCn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001388581 568923169 /nfs/dbraw/zinc/92/31/69/568923169.db2.gz CICTVANHMBODFT-UHFFFAOYSA-N -1 0 412.342 5.171 50 0 HKAARM O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)[N-]c2ccc(F)cc2)c1 ZINC000001421687 568938333 /nfs/dbraw/zinc/93/83/33/568938333.db2.gz AILZDLGGAJSCHF-UHFFFAOYSA-N -1 0 400.862 5.507 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(F)cc21 ZINC000001424687 568938814 /nfs/dbraw/zinc/93/88/14/568938814.db2.gz ZVVVJHWTJQOTIK-UHFFFAOYSA-N -1 0 401.315 6.018 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(Cl)cc21 ZINC000001424715 568938880 /nfs/dbraw/zinc/93/88/80/568938880.db2.gz VHWOYJLWLPJPAG-UHFFFAOYSA-N -1 0 417.770 6.532 50 0 HKAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1CSc1ccc(C)cc1 ZINC000001425605 557261361 /nfs/dbraw/zinc/26/13/61/557261361.db2.gz NOBPMJYBLLZVCU-UHFFFAOYSA-N -1 0 420.494 5.139 50 0 HKAARM Cc1nc([N-]c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc2c1CCCC2 ZINC000001429382 568939883 /nfs/dbraw/zinc/93/98/83/568939883.db2.gz LKMOFVSWUZQEQO-UHFFFAOYSA-N -1 0 401.901 5.671 50 0 HKAARM Cc1ccc(Nc2nc3cc(C)ccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001431094 568940014 /nfs/dbraw/zinc/94/00/14/568940014.db2.gz LWUKVSSPYKNTIB-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM O=C(Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000001431422 557262341 /nfs/dbraw/zinc/26/23/41/557262341.db2.gz SFDKYEGYWDCTQB-UHFFFAOYSA-N -1 0 401.487 5.066 50 0 HKAARM COc1ccc([N-]C(=S)Oc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000001437753 568964613 /nfs/dbraw/zinc/96/46/13/568964613.db2.gz PXATUIXYUBDWTI-UHFFFAOYSA-N -1 0 412.898 5.377 50 0 HKAARM COc1ccc([N-]C(=S)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000001444699 568982223 /nfs/dbraw/zinc/98/22/23/568982223.db2.gz ZIZBTDMPHARYJA-UHFFFAOYSA-N -1 0 412.898 5.377 50 0 HKAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccc2)c(Cl)cc1Cl ZINC000001445211 568983485 /nfs/dbraw/zinc/98/34/85/568983485.db2.gz ATHAVGGRIPQSCR-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM Cc1ccc(NC(=O)c2cc(Cl)cc(Br)c2[O-])cc1Br ZINC000001504071 557270781 /nfs/dbraw/zinc/27/07/81/557270781.db2.gz KMROVZXIEIXPTH-UHFFFAOYSA-N -1 0 419.500 5.131 50 0 HKAARM O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc4ccccc4c2)C3=O)cc1 ZINC000001508571 569007295 /nfs/dbraw/zinc/00/72/95/569007295.db2.gz HOADCMSWJIXZTF-UHFFFAOYSA-N -1 0 409.397 5.131 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000001510693 569007698 /nfs/dbraw/zinc/00/76/98/569007698.db2.gz JHWLZPNLDUHATB-UHFFFAOYSA-N -1 0 412.725 6.115 50 0 HKAARM [O-]c1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl ZINC000001530968 557271307 /nfs/dbraw/zinc/27/13/07/557271307.db2.gz ACGUYXCXAPNIKK-UHFFFAOYSA-N -1 0 406.907 6.609 50 0 aggregator,fda HKAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000001738108 569012598 /nfs/dbraw/zinc/01/25/98/569012598.db2.gz SIFZUZIJSUIQHX-UHFFFAOYSA-N -1 0 404.624 5.466 50 0 HKAARM Cc1cc(C)c(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c(C)c1 ZINC000001738695 557283692 /nfs/dbraw/zinc/28/36/92/557283692.db2.gz PNIZJHLGXVCWBH-UHFFFAOYSA-N -1 0 421.107 6.176 50 0 HKAARM Cc1cccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c1C ZINC000001738883 569012623 /nfs/dbraw/zinc/01/26/23/569012623.db2.gz WWLLWTMHZQNQRD-UHFFFAOYSA-N -1 0 407.080 5.868 50 0 HKAARM O=C([O-])c1ccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000001753715 557285128 /nfs/dbraw/zinc/28/51/28/557285128.db2.gz MYDMTZZZJDSOMI-UHFFFAOYSA-N -1 0 408.957 5.474 50 0 HKAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000001773032 569052486 /nfs/dbraw/zinc/05/24/86/569052486.db2.gz BEXYKWSWJSNGQI-UHFFFAOYSA-N -1 0 410.260 6.045 50 0 HKAARM O=C([O-])c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000001773034 569052474 /nfs/dbraw/zinc/05/24/74/569052474.db2.gz ZGXWIUMPEVPIHR-UHFFFAOYSA-N -1 0 410.260 6.045 50 0 HKAARM CC(C)=CCC/C(C)=C/COc1cc2c(cc1Br)oc(C)c2C(=O)[O-] ZINC000001774252 569052530 /nfs/dbraw/zinc/05/25/30/569052530.db2.gz YMJQHFZWGRYSNK-MDWZMJQESA-N -1 0 407.304 6.273 50 0 biogenic HKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001776148 569052600 /nfs/dbraw/zinc/05/26/00/569052600.db2.gz CFTHJKZQZYEVBI-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM Cc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(C)ccc4n3)o2)c(Br)c1 ZINC000001789996 569053087 /nfs/dbraw/zinc/05/30/87/569053087.db2.gz ZOZDNVMIFWHQOY-UHFFFAOYSA-N -1 0 422.278 6.239 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccc(F)cc21 ZINC000001790001 569053098 /nfs/dbraw/zinc/05/30/98/569053098.db2.gz QRLJTVJKSIPHTB-UHFFFAOYSA-N -1 0 402.208 6.306 50 0 HKAARM CCCCc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Cl)ccc4n3)o2)cc1 ZINC000001790002 569053158 /nfs/dbraw/zinc/05/31/58/569053158.db2.gz BITXTSFDCTVZRN-UHFFFAOYSA-N -1 0 405.881 6.856 50 0 HKAARM CC[C@@H](C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Cl)ccc4n3)o2)cc1 ZINC000001790003 569053148 /nfs/dbraw/zinc/05/31/48/569053148.db2.gz ZJWHZTSAKXDPRB-CQSZACIVSA-N -1 0 405.881 7.027 50 0 HKAARM CC[C@H](C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Cl)ccc4n3)o2)cc1 ZINC000001790004 569053179 /nfs/dbraw/zinc/05/31/79/569053179.db2.gz ZJWHZTSAKXDPRB-AWEZNQCLSA-N -1 0 405.881 7.027 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccc(Cl)cc21 ZINC000001790007 569053163 /nfs/dbraw/zinc/05/31/63/569053163.db2.gz OFSDOWOQHBPTQL-UHFFFAOYSA-N -1 0 418.663 6.820 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)nc2ccc(Cl)cc21 ZINC000001790008 569053168 /nfs/dbraw/zinc/05/31/68/569053168.db2.gz MEJMQCKREVIKIC-UHFFFAOYSA-N -1 0 418.663 6.820 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(F)c3)o2)nc2ccc(Br)cc21 ZINC000001790017 569053142 /nfs/dbraw/zinc/05/31/42/569053142.db2.gz MJROLTHTYFGKFV-UHFFFAOYSA-N -1 0 412.214 5.762 50 0 HKAARM CCc1ccc2nc(-c3ccc(-c4ccccc4Br)o3)cc(C(=O)[O-])c2c1 ZINC000001790037 569053172 /nfs/dbraw/zinc/05/31/72/569053172.db2.gz LEEAQCBKUWPZJA-UHFFFAOYSA-N -1 0 422.278 6.185 50 0 HKAARM CCc1ccc2nc(-c3ccc(-c4cccc(Br)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001790038 569053138 /nfs/dbraw/zinc/05/31/38/569053138.db2.gz WKKYKAJJFDBVEK-UHFFFAOYSA-N -1 0 422.278 6.185 50 0 HKAARM CCc1ccc2nc(-c3ccc(-c4ccccc4C(F)(F)F)o3)cc(C(=O)[O-])c2c1 ZINC000001790039 569053186 /nfs/dbraw/zinc/05/31/86/569053186.db2.gz YNOJENXTTONLSN-UHFFFAOYSA-N -1 0 411.379 6.441 50 0 HKAARM CCc1ccc2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)cc(C(=O)[O-])c2c1 ZINC000001790045 569053160 /nfs/dbraw/zinc/05/31/60/569053160.db2.gz GGWYJYYLAWNBQI-UHFFFAOYSA-N -1 0 412.272 6.729 50 0 HKAARM CCc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)cc(C(=O)[O-])c2c1 ZINC000001790047 569053184 /nfs/dbraw/zinc/05/31/84/569053184.db2.gz CCJXXAAEHYPLHQ-UHFFFAOYSA-N -1 0 412.272 6.729 50 0 HKAARM O=C([O-])c1c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2oc1-c1ccccc1 ZINC000001797717 569053317 /nfs/dbraw/zinc/05/33/17/569053317.db2.gz OZIYTYNTNFDSFP-UHFFFAOYSA-N -1 0 413.256 6.684 50 0 HKAARM O=C([O-])c1c2cc(OCc3ccc(Cl)cc3Cl)ccc2oc1-c1ccccc1 ZINC000001797729 569053366 /nfs/dbraw/zinc/05/33/66/569053366.db2.gz BKLNNDBNDLPXBA-UHFFFAOYSA-N -1 0 413.256 6.684 50 0 HKAARM CC(C)(C)c1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000001816470 557290504 /nfs/dbraw/zinc/29/05/04/557290504.db2.gz KHIKJXCMDHIUIT-SFTDATJTSA-N -1 0 420.553 5.157 50 0 biogenic HKAARM CC(C)(C)c1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000001816471 557290478 /nfs/dbraw/zinc/29/04/78/557290478.db2.gz KHIKJXCMDHIUIT-LEWJYISDSA-N -1 0 420.553 5.157 50 0 biogenic HKAARM CC(C)(C)c1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000001816472 557290466 /nfs/dbraw/zinc/29/04/66/557290466.db2.gz KHIKJXCMDHIUIT-RTWAWAEBSA-N -1 0 420.553 5.157 50 0 biogenic HKAARM CC(C)(C)c1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000001816473 557290422 /nfs/dbraw/zinc/29/04/22/557290422.db2.gz KHIKJXCMDHIUIT-NHCUHLMSSA-N -1 0 420.553 5.157 50 0 biogenic HKAARM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000001858907 569056659 /nfs/dbraw/zinc/05/66/59/569056659.db2.gz VXJLFLUUPUTNFH-VMPITWQZSA-N -1 0 409.338 5.349 50 0 HKAARM CCCC[C@](CCC(=O)[O-])(C(=O)OCC)c1cnc(Nc2ccc(C)cc2)s1 ZINC000001869274 569056761 /nfs/dbraw/zinc/05/67/61/569056761.db2.gz DBHXNQALKYQSGU-OAQYLSRUSA-N -1 0 404.532 5.051 50 0 HKAARM CCCC[C@@](CCC(=O)[O-])(C(=O)OCC)c1cnc(Nc2ccc(C)cc2)s1 ZINC000001869275 568839027 /nfs/dbraw/zinc/83/90/27/568839027.db2.gz DBHXNQALKYQSGU-NRFANRHFSA-N -1 0 404.532 5.051 50 0 HKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2cccc(Oc3ccccc3)c2)n1 ZINC000001876646 569056855 /nfs/dbraw/zinc/05/68/55/569056855.db2.gz VZXRKEGPWZNCFJ-UHFFFAOYSA-N -1 0 406.441 6.587 50 0 HKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccc(OCc3ccccc3)cc2)n1 ZINC000001878574 569056911 /nfs/dbraw/zinc/05/69/11/569056911.db2.gz WMYZXOVDFXHJNS-UHFFFAOYSA-N -1 0 420.468 6.374 50 0 HKAARM CCc1ccc2nc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001886968 568839235 /nfs/dbraw/zinc/83/92/35/568839235.db2.gz LBDTXESSXFAHPX-UHFFFAOYSA-N -1 0 412.272 6.729 50 0 HKAARM CCc1ccc2nc(-c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001886969 569056959 /nfs/dbraw/zinc/05/69/59/569056959.db2.gz IWDXNPWPUYZGLS-UHFFFAOYSA-N -1 0 412.272 6.729 50 0 HKAARM Cc1oc2c(cc(NS(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc23)c1C(=O)[O-] ZINC000001926428 557296748 /nfs/dbraw/zinc/29/67/48/557296748.db2.gz OQXUIUNBABXDGZ-UHFFFAOYSA-N -1 0 423.490 5.319 50 0 HKAARM O=C(Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000001950463 557297438 /nfs/dbraw/zinc/29/74/38/557297438.db2.gz IKDGPQAJCQORIX-UHFFFAOYSA-N -1 0 420.679 5.836 50 0 HKAARM CCCCCC1CCC(c2cc(Br)c([O-])c(Br)c2)CC1 ZINC000002022889 557299473 /nfs/dbraw/zinc/29/94/73/557299473.db2.gz HIKCATCDWVFSGJ-UHFFFAOYSA-N -1 0 404.186 6.771 50 0 HKAARM COc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)[O-])cc1 ZINC000002060218 569073578 /nfs/dbraw/zinc/07/35/78/569073578.db2.gz ZZJMGALGEWSUIJ-UHFFFAOYSA-N -1 0 409.507 5.672 50 0 HKAARM CCOc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)[O-])cc1 ZINC000002060364 569073349 /nfs/dbraw/zinc/07/33/49/569073349.db2.gz ZRMXFVCDIKBUAP-UHFFFAOYSA-N -1 0 423.534 6.062 50 0 HKAARM O=C([O-])c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc2ccccc21 ZINC000002060369 557303698 /nfs/dbraw/zinc/30/36/98/557303698.db2.gz OCADUBNQOZHYJY-UHFFFAOYSA-N -1 0 407.878 6.172 50 0 HKAARM Cc1ccccc1C(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)[O-] ZINC000002060416 557303724 /nfs/dbraw/zinc/30/37/24/557303724.db2.gz OFSBARBUGZRRKM-UHFFFAOYSA-N -1 0 416.296 5.437 50 0 HKAARM O=C([O-])c1c2c(sc1NC(=O)C(c1ccccc1)c1ccccc1)CCCCC2 ZINC000002060425 569073416 /nfs/dbraw/zinc/07/34/16/569073416.db2.gz PBYDICJFXWXUOR-UHFFFAOYSA-N -1 0 405.519 5.486 50 0 HKAARM O=C([O-])c1c(-c2cccs2)csc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002060426 560584054 /nfs/dbraw/zinc/58/40/54/560584054.db2.gz PQMGUMDSYNLFED-UHFFFAOYSA-N -1 0 419.527 5.945 50 0 HKAARM CCCCOc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000002088388 568844225 /nfs/dbraw/zinc/84/42/25/568844225.db2.gz MCWLRWONJNAKKM-UHFFFAOYSA-N -1 0 400.272 5.541 50 0 HKAARM Cc1c(-c2ccc(Br)cc2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000002088429 557312205 /nfs/dbraw/zinc/31/22/05/557312205.db2.gz GOSOFODSHMCFKZ-UHFFFAOYSA-N -1 0 421.088 5.433 50 0 HKAARM CCCCOc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1 ZINC000002088711 557312189 /nfs/dbraw/zinc/31/21/89/557312189.db2.gz NJPUCOWMLKBDAG-UHFFFAOYSA-N -1 0 414.299 5.850 50 0 HKAARM CCCOc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1 ZINC000002088899 557312255 /nfs/dbraw/zinc/31/22/55/557312255.db2.gz XJHVDWULUBRGLF-UHFFFAOYSA-N -1 0 400.272 5.460 50 0 HKAARM Cc1c(OCc2ccc3ccccc3c2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002091671 569280376 /nfs/dbraw/zinc/28/03/76/569280376.db2.gz REFNXELMZAZXNX-UHFFFAOYSA-N -1 0 402.446 5.159 50 0 biogenic HKAARM Cc1ccc2ccccc2c1COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1C ZINC000002092359 569280471 /nfs/dbraw/zinc/28/04/71/569280471.db2.gz AEMMJJOVZSSGQU-UHFFFAOYSA-N -1 0 402.446 5.078 50 0 biogenic HKAARM Cc1c2ccc(OCc3ccc(Cl)cc3Cl)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002093885 569280622 /nfs/dbraw/zinc/28/06/22/569280622.db2.gz MYMOHIKUPJUCRA-UHFFFAOYSA-N -1 0 421.276 5.313 50 0 biogenic HKAARM Cc1c(OCc2ccc(C(C)(C)C)cc2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002094129 569280744 /nfs/dbraw/zinc/28/07/44/569280744.db2.gz OGYNSERDTRJXNC-UHFFFAOYSA-N -1 0 408.494 5.304 50 0 biogenic HKAARM Cc1c(C)c(C)c(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)c(C)c1C ZINC000002094393 569280793 /nfs/dbraw/zinc/28/07/93/569280793.db2.gz YALFTHUYDYBKBE-UHFFFAOYSA-N -1 0 408.494 5.158 50 0 biogenic HKAARM Cc1c2ccc(OCc3c(Cl)cccc3Cl)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002096398 569280983 /nfs/dbraw/zinc/28/09/83/569280983.db2.gz VABZZWKIGAEJJB-UHFFFAOYSA-N -1 0 421.276 5.313 50 0 biogenic HKAARM Cc1cc2oc(=O)c(CC(=O)[O-])c(C)c2c2occ(-c3ccc(-c4ccccc4)cc3)c21 ZINC000002113460 569284095 /nfs/dbraw/zinc/28/40/95/569284095.db2.gz RNURHNBSFDWTEB-UHFFFAOYSA-N -1 0 424.452 6.117 50 0 biogenic HKAARM Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002118469 569060478 /nfs/dbraw/zinc/06/04/78/569060478.db2.gz WMCRRCLOPCJDAM-UHFFFAOYSA-N -1 0 414.457 5.278 50 0 biogenic HKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])occ3-c1ccc(-c2ccccc2)cc1 ZINC000002121327 569285514 /nfs/dbraw/zinc/28/55/14/569285514.db2.gz QZVLIDJNFOYHIU-UHFFFAOYSA-N -1 0 424.452 6.199 50 0 biogenic HKAARM Cc1c(O[C@H](C(=O)[O-])c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002121761 569285597 /nfs/dbraw/zinc/28/55/97/569285597.db2.gz FOCNIRGAVARVFX-DEOSSOPVSA-N -1 0 414.457 5.205 50 0 biogenic HKAARM Cc1c(O[C@@H](C(=O)[O-])c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002121762 569285637 /nfs/dbraw/zinc/28/56/37/569285637.db2.gz FOCNIRGAVARVFX-XMMPIXPASA-N -1 0 414.457 5.205 50 0 biogenic HKAARM Cc1c2ccc(OCc3cccc(C(F)(F)F)c3)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002123792 569285752 /nfs/dbraw/zinc/28/57/52/569285752.db2.gz SCUNPBOMTTZWQQ-UHFFFAOYSA-N -1 0 420.383 5.025 50 0 biogenic HKAARM Cc1c2occ(-c3ccc4ccccc4c3)c2cc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002137525 569287445 /nfs/dbraw/zinc/28/74/45/569287445.db2.gz HEYYOPXUTIPZBP-UHFFFAOYSA-N -1 0 412.441 5.993 50 0 biogenic HKAARM Cc1cc(Br)c2nc(-c3ccc(Br)cc3)cc(C(=O)[O-])c2c1 ZINC000002138395 569287568 /nfs/dbraw/zinc/28/75/68/569287568.db2.gz YJRCMTKPNBJVFD-UHFFFAOYSA-N -1 0 421.088 5.433 50 0 HKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccc(Cl)cc1 ZINC000002143658 569012672 /nfs/dbraw/zinc/01/26/72/569012672.db2.gz GTAUPALVZVSYGZ-UHFFFAOYSA-N -1 0 413.471 5.904 50 0 HKAARM FC(F)(F)Oc1ccc(-c2n[n-]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000002143706 557318400 /nfs/dbraw/zinc/31/84/00/557318400.db2.gz MHYHHFXTJSRMGH-UHFFFAOYSA-N -1 0 405.323 5.514 50 0 HKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)[O-])occ3-c1ccc(-c2ccccc2)cc1 ZINC000002145650 569289716 /nfs/dbraw/zinc/28/97/16/569289716.db2.gz MKIZGLSXXHMEQU-UHFFFAOYSA-N -1 0 410.425 5.809 50 0 biogenic HKAARM Cc1c2ccc(OCc3c(Cl)cccc3Cl)cc2oc(=O)c1CCC(=O)[O-] ZINC000002147702 569289791 /nfs/dbraw/zinc/28/97/91/569289791.db2.gz VZHLTZNWRWATAA-UHFFFAOYSA-N -1 0 407.249 5.004 50 0 biogenic HKAARM Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002149345 569289876 /nfs/dbraw/zinc/28/98/76/569289876.db2.gz PKOWHHVCTXWLDO-UHFFFAOYSA-N -1 0 421.276 5.313 50 0 biogenic HKAARM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000002150231 557319642 /nfs/dbraw/zinc/31/96/42/557319642.db2.gz PQULGZQSQLHCIT-UHFFFAOYSA-N -1 0 409.760 5.240 50 0 HKAARM Cc1c(C)c(C)c(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2C)c(C)c1C ZINC000002150252 569290008 /nfs/dbraw/zinc/29/00/08/569290008.db2.gz OMWUHLMVIOJIFN-UHFFFAOYSA-N -1 0 422.521 5.548 50 0 biogenic HKAARM Cc1c2ccc(OCc3ccc(Cl)cc3Cl)cc2oc(=O)c1CCC(=O)[O-] ZINC000002150289 569290053 /nfs/dbraw/zinc/29/00/53/569290053.db2.gz AJGHDMZFTHCZAX-UHFFFAOYSA-N -1 0 407.249 5.004 50 0 biogenic HKAARM Cc1ccc2ccccc2c1COc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1 ZINC000002152008 569290101 /nfs/dbraw/zinc/29/01/01/569290101.db2.gz QNGUBXKJUIGLQH-UHFFFAOYSA-N -1 0 402.446 5.159 50 0 biogenic HKAARM O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc(Cl)ccc1[O-] ZINC000002154284 557320083 /nfs/dbraw/zinc/32/00/83/557320083.db2.gz RKKQCZJGTFRFPT-UHFFFAOYSA-N -1 0 406.894 6.088 50 0 HKAARM Cc1cccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)[O-])c1 ZINC000002158197 557320543 /nfs/dbraw/zinc/32/05/43/557320543.db2.gz OAIYXBQEALWRIL-UHFFFAOYSA-N -1 0 416.296 5.437 50 0 HKAARM O=C([O-])c1c(NC(=O)c2ccccc2F)scc1-c1ccc(Br)cc1 ZINC000002158339 569290498 /nfs/dbraw/zinc/29/04/98/569290498.db2.gz QNXRDAVIADLKCK-UHFFFAOYSA-N -1 0 420.259 5.267 50 0 HKAARM CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)c(C(C)(C)CC)c1 ZINC000002166505 569288216 /nfs/dbraw/zinc/28/82/16/569288216.db2.gz BIRGNKBFQWSRPE-UHFFFAOYSA-N -1 0 411.542 5.778 50 0 HKAARM CCCCCC[C@@H](C)OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000002171129 569012660 /nfs/dbraw/zinc/01/26/60/569012660.db2.gz IFIKZQZRVSEJIM-MRVPVSSYSA-N -1 0 416.128 6.514 50 0 HKAARM Cc1oc2c(cc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)c1C(=O)[O-] ZINC000002184800 557323932 /nfs/dbraw/zinc/32/39/32/557323932.db2.gz SKHQMXNBWXUVIS-UHFFFAOYSA-N -1 0 415.854 5.047 50 0 HKAARM CCOC(=O)[C@](CCC(=O)[O-])(CCC(C)C)c1csc(Nc2ccc(C)cc2)n1 ZINC000002207834 569296903 /nfs/dbraw/zinc/29/69/03/569296903.db2.gz PTAQPBKFVNCULW-QFIPXVFZSA-N -1 0 418.559 5.297 50 0 HKAARM CCOC(=O)[C@@](CCC(=O)[O-])(CCC(C)C)c1csc(Nc2ccc(C)cc2)n1 ZINC000002207836 569296895 /nfs/dbraw/zinc/29/68/95/569296895.db2.gz PTAQPBKFVNCULW-JOCHJYFZSA-N -1 0 418.559 5.297 50 0 HKAARM CCCC[C@](CCC(=O)[O-])(C(=O)OCC)c1csc(Nc2ccc(C)cc2)n1 ZINC000002208173 569296874 /nfs/dbraw/zinc/29/68/74/569296874.db2.gz TUIOYHLVYKFMEQ-OAQYLSRUSA-N -1 0 404.532 5.051 50 0 HKAARM CCCC[C@@](CCC(=O)[O-])(C(=O)OCC)c1csc(Nc2ccc(C)cc2)n1 ZINC000002208174 569296873 /nfs/dbraw/zinc/29/68/73/569296873.db2.gz TUIOYHLVYKFMEQ-NRFANRHFSA-N -1 0 404.532 5.051 50 0 HKAARM CCc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000002210469 569306968 /nfs/dbraw/zinc/30/69/68/569306968.db2.gz IZFZEPARVQUEQT-UHFFFAOYSA-N -1 0 418.522 5.045 50 0 HKAARM O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccccc1 ZINC000002214099 569309170 /nfs/dbraw/zinc/30/91/70/569309170.db2.gz IAOGCQNMTBSXEI-UHFFFAOYSA-N -1 0 409.239 5.215 50 0 HKAARM Cc1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc(C)c5cccc(C)c5n4)nc3C2)cc1 ZINC000002216745 557327820 /nfs/dbraw/zinc/32/78/20/557327820.db2.gz DNCPRBICKOZQSI-SFHVURJKSA-N -1 0 409.493 5.001 50 0 HKAARM Cc1ccc([C@H]2CC(=O)c3cnc([N-]c4nc(C)c5cccc(C)c5n4)nc3C2)cc1 ZINC000002216746 557327868 /nfs/dbraw/zinc/32/78/68/557327868.db2.gz DNCPRBICKOZQSI-GOSISDBHSA-N -1 0 409.493 5.001 50 0 HKAARM CC(C)(C)[C@H]1CCc2nc3sc4c([nH]c(=O)cc4[O-])c3c(-c3cccs3)c2C1 ZINC000002217763 569311491 /nfs/dbraw/zinc/31/14/91/569311491.db2.gz QOULOHIXBFQYGE-NSHDSACASA-N -1 0 410.564 5.723 50 0 HKAARM CC(C)(C)[C@@H]1CCc2nc3sc4c([nH]c(=O)cc4[O-])c3c(-c3cccs3)c2C1 ZINC000002217766 569311633 /nfs/dbraw/zinc/31/16/33/569311633.db2.gz QOULOHIXBFQYGE-LLVKDONJSA-N -1 0 410.564 5.723 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(Br)cc3)n2)c1[O-] ZINC000002218807 569311971 /nfs/dbraw/zinc/31/19/71/569311971.db2.gz RPHIUCHCBLFUPD-UHFFFAOYSA-N -1 0 423.266 5.566 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3cc(C)c(Cl)c(C)c3)n2)c1[O-] ZINC000002221186 569312954 /nfs/dbraw/zinc/31/29/54/569312954.db2.gz DKWMTLYBSSPXQK-UHFFFAOYSA-N -1 0 406.869 6.074 50 0 HKAARM Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1 ZINC000002221529 569313063 /nfs/dbraw/zinc/31/30/63/569313063.db2.gz VKZYJXQGYXFWLE-UHFFFAOYSA-N -1 0 423.266 5.524 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)nc2ccccc21 ZINC000002222083 569313148 /nfs/dbraw/zinc/31/31/48/569313148.db2.gz BYGXKKNFLTUPPC-UHFFFAOYSA-N -1 0 417.770 6.532 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Nc3cc(Cl)ccc3OC)n2)c1[O-] ZINC000002224115 569313389 /nfs/dbraw/zinc/31/33/89/569313389.db2.gz WXGNANJJIGLPAO-UHFFFAOYSA-N -1 0 407.857 5.417 50 0 HKAARM Cc1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)[O-])cc1 ZINC000002227069 569315529 /nfs/dbraw/zinc/31/55/29/569315529.db2.gz ZUZDRCXIYNNPQO-UHFFFAOYSA-N -1 0 416.296 5.437 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3cc(Cl)ccc3Cl)n2)c1[O-] ZINC000002228233 569317371 /nfs/dbraw/zinc/31/73/71/569317371.db2.gz IZMGQIZHZWZFBY-UHFFFAOYSA-N -1 0 413.260 6.110 50 0 HKAARM O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000002230466 569319671 /nfs/dbraw/zinc/31/96/71/569319671.db2.gz SSOUWXLAPLBVMD-UHFFFAOYSA-N -1 0 423.266 5.144 50 0 HKAARM Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000002235038 569321193 /nfs/dbraw/zinc/32/11/93/569321193.db2.gz GMCCGNBSESNQAO-UHFFFAOYSA-N -1 0 423.266 5.524 50 0 HKAARM CCCOc1ccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)cc1 ZINC000002236951 569321902 /nfs/dbraw/zinc/32/19/02/569321902.db2.gz HUEFRFSKKRGALQ-UHFFFAOYSA-N -1 0 402.450 5.592 50 0 HKAARM Cc1cc(O[C@H](C(=O)[O-])c2ccccc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002239508 557330191 /nfs/dbraw/zinc/33/01/91/557330191.db2.gz PKNZZFJXWYSIPV-DEOSSOPVSA-N -1 0 414.457 5.205 50 0 HKAARM Cc1cc(O[C@@H](C(=O)[O-])c2ccccc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002239509 557330274 /nfs/dbraw/zinc/33/02/74/557330274.db2.gz PKNZZFJXWYSIPV-XMMPIXPASA-N -1 0 414.457 5.205 50 0 HKAARM Cc1c2occ(-c3ccc(-c4ccccc4)cc3)c2cc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002239636 569322649 /nfs/dbraw/zinc/32/26/49/569322649.db2.gz QJCTXDRIILNYIP-UHFFFAOYSA-N -1 0 424.452 6.117 50 0 HKAARM O=C([O-])[C@H](C/C=C/c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002243681 557330526 /nfs/dbraw/zinc/33/05/26/557330526.db2.gz ZFMHHKMOLFNMMV-DDVUFSRBSA-N -1 0 413.473 5.082 50 0 HKAARM O=C([O-])[C@@H](C/C=C/c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002243704 557330507 /nfs/dbraw/zinc/33/05/07/557330507.db2.gz ZFMHHKMOLFNMMV-NOENIZQJSA-N -1 0 413.473 5.082 50 0 HKAARM CCc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccc(C)cc3)CC4=O)nc(C)c2c1 ZINC000002244733 569323839 /nfs/dbraw/zinc/32/38/39/569323839.db2.gz SOLCKIBEFSXISX-LJQANCHMSA-N -1 0 423.520 5.255 50 0 HKAARM CCc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3ccc(C)cc3)CC4=O)nc(C)c2c1 ZINC000002244734 569323832 /nfs/dbraw/zinc/32/38/32/569323832.db2.gz SOLCKIBEFSXISX-IBGZPJMESA-N -1 0 423.520 5.255 50 0 HKAARM CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000002255531 569326173 /nfs/dbraw/zinc/32/61/73/569326173.db2.gz OAGOBIGTJYTMNV-UHFFFAOYSA-N -1 0 423.490 5.062 50 0 HKAARM CC[C@H](C)[C@H](Nc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000002257861 569324879 /nfs/dbraw/zinc/32/48/79/569324879.db2.gz HMVDEHHXIYNMKX-XOBRGWDASA-N -1 0 409.555 5.072 50 0 HKAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000002258978 569324936 /nfs/dbraw/zinc/32/49/36/569324936.db2.gz UPTQZEGPUOWFAG-UHFFFAOYSA-N -1 0 400.253 5.052 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1 ZINC000002270527 569326520 /nfs/dbraw/zinc/32/65/20/569326520.db2.gz QDJLSNLGKDNZRB-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM Cc1ccc(C(=O)c2coc3cc(Br)c([O-])c(Br)c23)cc1 ZINC000002275019 557333466 /nfs/dbraw/zinc/33/34/66/557333466.db2.gz PXUQCQQGLLBIJL-UHFFFAOYSA-N -1 0 410.061 5.203 50 0 HKAARM CCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000002275457 569327735 /nfs/dbraw/zinc/32/77/35/569327735.db2.gz DVKLFDWCPPOFQU-UHFFFAOYSA-N -1 0 419.308 5.456 50 0 HKAARM CCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000002291190 569369142 /nfs/dbraw/zinc/36/91/42/569369142.db2.gz JMEFEWNZYRREML-UHFFFAOYSA-N -1 0 405.281 5.066 50 0 HKAARM CCOc1ccc(-c2csc(NC(=O)c3cccc4ccccc43)c2C(=O)[O-])cc1 ZINC000002297114 569369613 /nfs/dbraw/zinc/36/96/13/569369613.db2.gz DRYFEFCRWRRRDR-UHFFFAOYSA-N -1 0 417.486 5.918 50 0 HKAARM CCCOc1ccc(CO[N-]C(=O)COc2ccc(Cl)cc2Cl)cc1Cl ZINC000002305029 569372381 /nfs/dbraw/zinc/37/23/81/569372381.db2.gz LFMGGKRLMIGULI-UHFFFAOYSA-N -1 0 418.704 5.062 50 0 HKAARM O=C(Nc1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1)c1cc(Cl)ccc1[O-] ZINC000002306340 569372554 /nfs/dbraw/zinc/37/25/54/569372554.db2.gz XJPUIXNWFNHUPM-UHFFFAOYSA-N -1 0 420.679 5.836 50 0 HKAARM Cc1ccc(CSc2nc3ccccc3n2C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000002309464 569372733 /nfs/dbraw/zinc/37/27/33/569372733.db2.gz BWUCZURIYQEVNG-UHFFFAOYSA-N -1 0 402.475 5.024 50 0 HKAARM Cc1cccc(Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(=O)[O-])c1C ZINC000002317086 569373216 /nfs/dbraw/zinc/37/32/16/569373216.db2.gz GQQYNEONBKCSAB-UHFFFAOYSA-N -1 0 407.310 5.057 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(OC(C)C)cc3)n2)c1[O-] ZINC000002331875 569375946 /nfs/dbraw/zinc/37/59/46/569375946.db2.gz PFKLKZSEFAJTTA-UHFFFAOYSA-N -1 0 402.450 5.591 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(C(C)(C)C)cc3)n2)c1[O-] ZINC000002334940 557694389 /nfs/dbraw/zinc/69/43/89/557694389.db2.gz KFOHKYYYVKAIQQ-UHFFFAOYSA-N -1 0 400.478 6.101 50 0 HKAARM O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 ZINC000002356321 569385321 /nfs/dbraw/zinc/38/53/21/569385321.db2.gz CIEJUZWMPUGXEJ-UHFFFAOYSA-N -1 0 409.272 6.416 50 0 HKAARM Cc1c(C(=O)[O-])cc(-c2ccccc2)n1CCSCc1c(F)cccc1Cl ZINC000002380627 557342356 /nfs/dbraw/zinc/34/23/56/557342356.db2.gz GMWHKVOTUSCEPG-UHFFFAOYSA-N -1 0 403.906 5.888 50 0 HKAARM O=C([O-])C[C@@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385831 557342799 /nfs/dbraw/zinc/34/27/99/557342799.db2.gz FYJRCXFXXJMPFO-LJQANCHMSA-N -1 0 415.489 5.001 50 0 HKAARM O=C([O-])C[C@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385956 557342980 /nfs/dbraw/zinc/34/29/80/557342980.db2.gz FYJRCXFXXJMPFO-IBGZPJMESA-N -1 0 415.489 5.001 50 0 HKAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002386984 557343104 /nfs/dbraw/zinc/34/31/04/557343104.db2.gz QVNBKPSESKXKBL-HSZRJFAPSA-N -1 0 401.462 5.050 50 0 HKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 ZINC000002386991 557343129 /nfs/dbraw/zinc/34/31/29/557343129.db2.gz VDMPMJZDURHZTB-JOCHJYFZSA-N -1 0 421.880 5.395 50 0 HKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000002388785 569392535 /nfs/dbraw/zinc/39/25/35/569392535.db2.gz RRVRXUDSLSWJBP-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002389066 557343453 /nfs/dbraw/zinc/34/34/53/557343453.db2.gz WLJJHZZZEHMKOE-HSZRJFAPSA-N -1 0 401.462 5.050 50 0 HKAARM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002389070 557343518 /nfs/dbraw/zinc/34/35/18/557343518.db2.gz QDIMUVCWIVIKLY-HSZRJFAPSA-N -1 0 401.462 5.050 50 0 HKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Cl ZINC000002389080 557343513 /nfs/dbraw/zinc/34/35/13/557343513.db2.gz MHQMTMDZWLOODM-JOCHJYFZSA-N -1 0 421.880 5.395 50 0 HKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Cl)c1 ZINC000002389081 557343516 /nfs/dbraw/zinc/34/35/16/557343516.db2.gz UTITXXQGMMKCQD-JOCHJYFZSA-N -1 0 421.880 5.395 50 0 HKAARM CC(C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002394413 569394220 /nfs/dbraw/zinc/39/42/20/569394220.db2.gz DELVAOYYHVDIIE-UHFFFAOYSA-N -1 0 418.522 5.298 50 0 HKAARM Cc1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c(Br)c1 ZINC000002396904 569394503 /nfs/dbraw/zinc/39/45/03/569394503.db2.gz ZAWNYILZASINBR-UHFFFAOYSA-N -1 0 407.267 5.866 50 0 HKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000002398327 569394569 /nfs/dbraw/zinc/39/45/69/569394569.db2.gz MZXNDEHMDKRCKF-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2cc3nc4ccccc4nc3n2C2CCCCC2)cc1 ZINC000002400522 569395429 /nfs/dbraw/zinc/39/54/29/569395429.db2.gz XAYROFNHOVTLSK-UHFFFAOYSA-N -1 0 420.538 5.199 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3cccc(Br)c3)n2)c1[O-] ZINC000002402489 569395682 /nfs/dbraw/zinc/39/56/82/569395682.db2.gz SPZNADNUMNALOL-UHFFFAOYSA-N -1 0 423.266 5.566 50 0 HKAARM CCc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002403410 569395768 /nfs/dbraw/zinc/39/57/68/569395768.db2.gz JHEWVYWNHJRFNQ-UHFFFAOYSA-N -1 0 418.522 5.045 50 0 HKAARM Cc1cc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)nc(C)c2cc1C ZINC000002404776 557345024 /nfs/dbraw/zinc/34/50/24/557345024.db2.gz QDFLWAACJSMDMP-GOSISDBHSA-N -1 0 409.493 5.001 50 0 HKAARM Cc1cc2nc([N-]c3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)nc(C)c2cc1C ZINC000002404777 557344944 /nfs/dbraw/zinc/34/49/44/557344944.db2.gz QDFLWAACJSMDMP-SFHVURJKSA-N -1 0 409.493 5.001 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3Cl)n2)c1[O-] ZINC000002405082 569395897 /nfs/dbraw/zinc/39/58/97/569395897.db2.gz IXNKVDULAPVTSW-UHFFFAOYSA-N -1 0 413.260 6.110 50 0 HKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002405374 569395944 /nfs/dbraw/zinc/39/59/44/569395944.db2.gz FDKMEPKPBLRQND-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000002405901 569396138 /nfs/dbraw/zinc/39/61/38/569396138.db2.gz MSSYMDQLBRZHFU-UHFFFAOYSA-N -1 0 418.522 5.045 50 0 HKAARM CC[C@@H](C)c1ccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)cc1 ZINC000002408805 569396398 /nfs/dbraw/zinc/39/63/98/569396398.db2.gz CAILDKDATMCFLY-MRXNPFEDSA-N -1 0 400.478 6.317 50 0 HKAARM CC[C@H](C)c1ccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)cc1 ZINC000002408806 569396417 /nfs/dbraw/zinc/39/64/17/569396417.db2.gz CAILDKDATMCFLY-INIZCTEOSA-N -1 0 400.478 6.317 50 0 HKAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000002411252 569396831 /nfs/dbraw/zinc/39/68/31/569396831.db2.gz WUMFSWXGYNAZNJ-UHFFFAOYSA-N -1 0 418.522 5.045 50 0 HKAARM O=C([O-])[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000002413576 569397094 /nfs/dbraw/zinc/39/70/94/569397094.db2.gz NFIJJGGDKVUBEL-IBGZPJMESA-N -1 0 409.445 5.151 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3cccc(C(F)(F)F)c3)n2)c1[O-] ZINC000002419360 569397767 /nfs/dbraw/zinc/39/77/67/569397767.db2.gz TVDGIKNGYFEFQM-UHFFFAOYSA-N -1 0 412.367 5.822 50 0 HKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)c(C)c2)c1 ZINC000002421220 569398112 /nfs/dbraw/zinc/39/81/12/569398112.db2.gz MBNYSAGBAPVKON-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(C)ccc2C)c1 ZINC000002422604 569398222 /nfs/dbraw/zinc/39/82/22/569398222.db2.gz UIGVLZDIRCOUIJ-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000002424909 569398490 /nfs/dbraw/zinc/39/84/90/569398490.db2.gz AQXNLYKQRIZIPR-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3cc(C)ccc3C(C)C)n2)c1[O-] ZINC000002427032 569398705 /nfs/dbraw/zinc/39/87/05/569398705.db2.gz MGKRFMWPTVBWPE-UHFFFAOYSA-N -1 0 400.478 6.235 50 0 HKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000002428629 569398812 /nfs/dbraw/zinc/39/88/12/569398812.db2.gz XIDTWLUOTHCSTE-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000002431576 569399162 /nfs/dbraw/zinc/39/91/62/569399162.db2.gz IPSQPWISSQQTAB-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM Cc1cc(Br)ccc1Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000002432395 569399400 /nfs/dbraw/zinc/39/94/00/569399400.db2.gz BJEKLRXWKYILFC-UHFFFAOYSA-N -1 0 407.267 5.866 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)nc2ccccc21 ZINC000002434339 569399392 /nfs/dbraw/zinc/39/93/92/569399392.db2.gz SLOVGAFXCNPGAQ-UHFFFAOYSA-N -1 0 417.770 6.532 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(C(C)(C)C)cc3C)n2)c1[O-] ZINC000002437685 569399900 /nfs/dbraw/zinc/39/99/00/569399900.db2.gz BOPDQKXIBSPQDO-UHFFFAOYSA-N -1 0 414.505 6.409 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3cccc(Cl)c3Cl)n2)c1[O-] ZINC000002437765 569399923 /nfs/dbraw/zinc/39/99/23/569399923.db2.gz OHOWCIJQQYKIAP-UHFFFAOYSA-N -1 0 413.260 6.110 50 0 HKAARM Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000002438355 569400019 /nfs/dbraw/zinc/40/00/19/569400019.db2.gz GOZFTIOJCBPSNU-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c1 ZINC000002472928 569164605 /nfs/dbraw/zinc/16/46/05/569164605.db2.gz XTYZAFJGFIELSU-LDADJPATSA-N -1 0 413.520 5.179 50 0 HKAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 ZINC000002505554 557353471 /nfs/dbraw/zinc/35/34/71/557353471.db2.gz VPGXZWIGRRRZMG-NRFANRHFSA-N -1 0 421.880 5.047 50 0 HKAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Cl ZINC000002511445 569007512 /nfs/dbraw/zinc/00/75/12/569007512.db2.gz JXDNNHWVILUHSO-NRFANRHFSA-N -1 0 407.853 5.004 50 0 HKAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Cl)c1 ZINC000002511446 569007490 /nfs/dbraw/zinc/00/74/90/569007490.db2.gz IWNXWBFVGWGSRR-NRFANRHFSA-N -1 0 407.853 5.004 50 0 HKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1F ZINC000002511609 568778665 /nfs/dbraw/zinc/77/86/65/568778665.db2.gz UVHHNZNGSXECJN-JOCHJYFZSA-N -1 0 423.415 5.019 50 0 HKAARM O=C([O-])[C@@H](CCCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002529153 557354685 /nfs/dbraw/zinc/35/46/85/557354685.db2.gz JDBKBGOHVBNXRB-XMMPIXPASA-N -1 0 415.489 5.001 50 0 HKAARM O=C([O-])[C@H](CCCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002529154 557354657 /nfs/dbraw/zinc/35/46/57/557354657.db2.gz JDBKBGOHVBNXRB-DEOSSOPVSA-N -1 0 415.489 5.001 50 0 HKAARM O=C([O-])CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000002530045 568780452 /nfs/dbraw/zinc/78/04/52/568780452.db2.gz GVVBQAUUPFWYCV-HSZRJFAPSA-N -1 0 401.462 5.131 50 0 HKAARM O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002530206 560871578 /nfs/dbraw/zinc/87/15/78/560871578.db2.gz RHKMQYBFMUXKQN-DEOSSOPVSA-N -1 0 413.473 5.010 50 0 HKAARM O=C([O-])CCCc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002541721 557355572 /nfs/dbraw/zinc/35/55/72/557355572.db2.gz WDPZRHXDZBKJQJ-UHFFFAOYSA-N -1 0 401.462 5.455 50 0 HKAARM O=C([O-])c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccc(F)c(Cl)c1 ZINC000002541891 557355459 /nfs/dbraw/zinc/35/54/59/557355459.db2.gz JLUDXPOYOGWEES-UHFFFAOYSA-N -1 0 403.599 5.476 50 0 HKAARM O=C([O-])[C@@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccccc1 ZINC000002552324 557356097 /nfs/dbraw/zinc/35/60/97/557356097.db2.gz OHJSUXJSAJSGMU-NRFANRHFSA-N -1 0 406.821 5.318 50 0 HKAARM O=C([O-])[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccccc1 ZINC000002552327 557355991 /nfs/dbraw/zinc/35/59/91/557355991.db2.gz OHJSUXJSAJSGMU-OAQYLSRUSA-N -1 0 406.821 5.318 50 0 HKAARM O=c1c(-c2ccccc2)c([O-])c(Br)c(-c2ccccc2)n1-c1ccccc1 ZINC000002557667 557356315 /nfs/dbraw/zinc/35/63/15/557356315.db2.gz GIRBJGHYOSPAQE-UHFFFAOYSA-N -1 0 418.290 5.640 50 0 HKAARM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002568206 557357152 /nfs/dbraw/zinc/35/71/52/557357152.db2.gz JEEBFSSXASHKSF-BJKOFHAPSA-N -1 0 413.473 5.226 50 0 HKAARM O=C([O-])[C@@H](CC(=O)c1ccc(C2CCCCC2)cc1)Sc1ccc(Cl)cc1 ZINC000002570965 568784471 /nfs/dbraw/zinc/78/44/71/568784471.db2.gz UTDWHKHTQVYLAL-OAQYLSRUSA-N -1 0 402.943 6.206 50 0 HKAARM O=C([O-])[C@@H](CC(=O)c1ccc(C2CCCCC2)cc1)SCc1ccc(Cl)cc1 ZINC000002570979 568784620 /nfs/dbraw/zinc/78/46/20/568784620.db2.gz IPGMIUZSKCOUQC-JOCHJYFZSA-N -1 0 416.970 6.347 50 0 HKAARM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002572409 557357500 /nfs/dbraw/zinc/35/75/00/557357500.db2.gz GQTVSSUIIKDXQC-LJQANCHMSA-N -1 0 415.489 5.001 50 0 HKAARM O=C([O-])[C@@H]1CC[C@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002572451 557357432 /nfs/dbraw/zinc/35/74/32/557357432.db2.gz JEEBFSSXASHKSF-RPWUZVMVSA-N -1 0 413.473 5.226 50 0 HKAARM CCCCc1oc2ccccc2c1C(=O)c1ccc([O-])c(I)c1 ZINC000002576322 557357769 /nfs/dbraw/zinc/35/77/69/557357769.db2.gz SPJWRQCARFHMEB-UHFFFAOYSA-N -1 0 420.246 5.317 50 0 in-vitro HKAARM Cc1ccc(Sc2c(-c3ccc(Cl)cc3)nc3ccccc3c2C(=O)[O-])cc1 ZINC000002576530 568784841 /nfs/dbraw/zinc/78/48/41/568784841.db2.gz CGTRXRGZRHWIAT-UHFFFAOYSA-N -1 0 405.906 6.713 50 0 HKAARM COc1ccc(Sc2c(-c3ccc(Cl)cc3)nc3ccccc3c2C(=O)[O-])cc1 ZINC000002576532 568784678 /nfs/dbraw/zinc/78/46/78/568784678.db2.gz CIWHXTWPWNYAOM-UHFFFAOYSA-N -1 0 421.905 6.413 50 0 HKAARM O=C([O-])c1c2ccccc2nc(-c2ccc(Cl)cc2)c1Oc1ccccc1Cl ZINC000002576536 568784812 /nfs/dbraw/zinc/78/48/12/568784812.db2.gz FKKYPEHVWQQVKE-UHFFFAOYSA-N -1 0 410.256 6.699 50 0 HKAARM CCCCC(CCCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002576803 557357747 /nfs/dbraw/zinc/35/77/47/557357747.db2.gz LFQORNJHCFWMHO-UHFFFAOYSA-N -1 0 409.526 5.729 50 0 HKAARM O=C([O-])[C@@H](CCC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002577891 557357730 /nfs/dbraw/zinc/35/77/30/557357730.db2.gz KYXCSTPOLMVGMS-HSZRJFAPSA-N -1 0 407.510 5.339 50 0 HKAARM O=C([O-])[C@H](CCC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002577892 557357717 /nfs/dbraw/zinc/35/77/17/557357717.db2.gz KYXCSTPOLMVGMS-QHCPKHFHSA-N -1 0 407.510 5.339 50 0 HKAARM O=C([O-])c1cc2ccccc2cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583040 557358375 /nfs/dbraw/zinc/35/83/75/557358375.db2.gz MSOMSMIPRIHFGS-UHFFFAOYSA-N -1 0 409.441 5.899 50 0 HKAARM O=C([O-])CCCc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002583045 557358288 /nfs/dbraw/zinc/35/82/88/557358288.db2.gz YERMDNRHJNZMJT-UHFFFAOYSA-N -1 0 401.462 5.455 50 0 HKAARM O=C([O-])CSc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002583047 557358338 /nfs/dbraw/zinc/35/83/38/557358338.db2.gz WMZMXQSJFVQHHR-UHFFFAOYSA-N -1 0 405.475 5.224 50 0 HKAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccccc2c1 ZINC000002583474 560556714 /nfs/dbraw/zinc/55/67/14/560556714.db2.gz XWRGISZRUVIDKT-VWLOTQADSA-N -1 0 423.468 5.504 50 0 HKAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002585864 557358509 /nfs/dbraw/zinc/35/85/09/557358509.db2.gz WLJJHZZZEHMKOE-QHCPKHFHSA-N -1 0 401.462 5.050 50 0 HKAARM Cc1cccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002585865 557358631 /nfs/dbraw/zinc/35/86/31/557358631.db2.gz QDIMUVCWIVIKLY-QHCPKHFHSA-N -1 0 401.462 5.050 50 0 HKAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002585866 557358494 /nfs/dbraw/zinc/35/84/94/557358494.db2.gz QVNBKPSESKXKBL-QHCPKHFHSA-N -1 0 401.462 5.050 50 0 HKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Cl ZINC000002585886 557358498 /nfs/dbraw/zinc/35/84/98/557358498.db2.gz MHQMTMDZWLOODM-QFIPXVFZSA-N -1 0 421.880 5.395 50 0 HKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Cl)c1 ZINC000002585887 557358555 /nfs/dbraw/zinc/35/85/55/557358555.db2.gz UTITXXQGMMKCQD-QFIPXVFZSA-N -1 0 421.880 5.395 50 0 HKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 ZINC000002585888 557358641 /nfs/dbraw/zinc/35/86/41/557358641.db2.gz VDMPMJZDURHZTB-QFIPXVFZSA-N -1 0 421.880 5.395 50 0 HKAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000002589988 557358877 /nfs/dbraw/zinc/35/88/77/557358877.db2.gz MJXSYCNCNTXTAH-UHFFFAOYSA-N -1 0 418.950 5.076 50 0 HKAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000002604835 557359562 /nfs/dbraw/zinc/35/95/62/557359562.db2.gz NAJHIUGEDTUGTE-UHFFFAOYSA-N -1 0 412.559 5.040 50 0 HKAARM O=C([O-])c1ccc(CSc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000002633024 560586541 /nfs/dbraw/zinc/58/65/41/560586541.db2.gz KIMQFGURAHXNDW-UHFFFAOYSA-N -1 0 424.572 5.974 50 0 HKAARM CCOC(=O)c1sc2ncc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cc2c1C ZINC000002633323 568791367 /nfs/dbraw/zinc/79/13/67/568791367.db2.gz PSHWZEBXEZWHDD-UHFFFAOYSA-N -1 0 410.278 5.025 50 0 HKAARM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1ccc2ccccc2c1 ZINC000002643515 568794461 /nfs/dbraw/zinc/79/44/61/568794461.db2.gz GUEFCLGCKQBFTR-UHFFFAOYSA-N -1 0 409.894 6.086 50 0 HKAARM O=C([O-])c1ccccc1Sc1cc(-c2nc3ccccc3s2)c2ccccc2n1 ZINC000002645072 568794738 /nfs/dbraw/zinc/79/47/38/568794738.db2.gz WCNLVBVIRKGUDS-UHFFFAOYSA-N -1 0 414.511 6.361 50 0 HKAARM Cc1ccc(-c2csc3ncnc([N-]S(=O)(=O)c4ccc(Cl)s4)c23)cc1 ZINC000002659887 568798664 /nfs/dbraw/zinc/79/86/64/568798664.db2.gz ZCXYFSRBIDPWJV-UHFFFAOYSA-N -1 0 421.956 5.182 50 0 HKAARM Cc1ccc(-c2csc3ncnc([N-]S(=O)(=O)c4ccc(Cl)cc4)c23)cc1 ZINC000002660072 568798681 /nfs/dbraw/zinc/79/86/81/568798681.db2.gz AUMVNBHOPUIZEI-UHFFFAOYSA-N -1 0 415.927 5.121 50 0 HKAARM CSc1nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2s1 ZINC000002662659 568799466 /nfs/dbraw/zinc/79/94/66/568799466.db2.gz NNLPRDFLHLZBIJ-UHFFFAOYSA-N -1 0 405.353 5.126 50 0 aggregator HKAARM O=C([O-])c1c2cc(OCc3c(Cl)cccc3Cl)ccc2oc1-c1ccccc1 ZINC000002667131 568800191 /nfs/dbraw/zinc/80/01/91/568800191.db2.gz ISDWRBUYCUGTOX-UHFFFAOYSA-N -1 0 413.256 6.684 50 0 HKAARM Cc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc43)c2C(=O)[O-])cc1C ZINC000002679392 568800700 /nfs/dbraw/zinc/80/07/00/568800700.db2.gz PJKMCEYBSOBSCV-UHFFFAOYSA-N -1 0 415.514 6.065 50 0 HKAARM O=C([O-])c1c(-c2ccc(F)cc2)csc1NC(=O)Cc1cccc2ccccc21 ZINC000002679618 568800617 /nfs/dbraw/zinc/80/06/17/568800617.db2.gz ABIYXDLWMJXXMP-UHFFFAOYSA-N -1 0 405.450 5.587 50 0 HKAARM CCOC(=O)NC1([N-]c2c(C)cc(C)cc2C)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002689757 557368089 /nfs/dbraw/zinc/36/80/89/557368089.db2.gz IKMBNCVCHRSQPO-UHFFFAOYSA-N -1 0 411.285 5.159 50 0 HKAARM O=C([O-])c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000002697231 557368622 /nfs/dbraw/zinc/36/86/22/557368622.db2.gz SRJLJHLXRWBILW-UHFFFAOYSA-N -1 0 423.428 5.236 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000002735709 557755138 /nfs/dbraw/zinc/75/51/38/557755138.db2.gz VMAZEXAWOXKIRK-JKSUJKDBSA-N -1 0 404.919 5.158 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000002735710 557755187 /nfs/dbraw/zinc/75/51/87/557755187.db2.gz VMAZEXAWOXKIRK-HZPDHXFCSA-N -1 0 404.919 5.158 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000002735711 557755174 /nfs/dbraw/zinc/75/51/74/557755174.db2.gz VMAZEXAWOXKIRK-HOTGVXAUSA-N -1 0 404.919 5.158 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000002735712 557755155 /nfs/dbraw/zinc/75/51/55/557755155.db2.gz VMAZEXAWOXKIRK-CVEARBPZSA-N -1 0 404.919 5.158 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737935 557751957 /nfs/dbraw/zinc/75/19/57/557751957.db2.gz ORUIPQJEEHPSAB-RBUKOAKNSA-N -1 0 412.555 5.628 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737936 557752174 /nfs/dbraw/zinc/75/21/74/557752174.db2.gz ORUIPQJEEHPSAB-RTBURBONSA-N -1 0 412.555 5.628 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737937 557752184 /nfs/dbraw/zinc/75/21/84/557752184.db2.gz ORUIPQJEEHPSAB-OALUTQOASA-N -1 0 412.555 5.628 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737938 557752172 /nfs/dbraw/zinc/75/21/72/557752172.db2.gz ORUIPQJEEHPSAB-MOPGFXCFSA-N -1 0 412.555 5.628 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000002738262 557752149 /nfs/dbraw/zinc/75/21/49/557752149.db2.gz FDVQCEMKYHQHSX-ZWKOTPCHSA-N -1 0 400.544 5.147 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000002738263 557752154 /nfs/dbraw/zinc/75/21/54/557752154.db2.gz FDVQCEMKYHQHSX-QZTJIDSGSA-N -1 0 400.544 5.147 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000002738264 557752159 /nfs/dbraw/zinc/75/21/59/557752159.db2.gz FDVQCEMKYHQHSX-ROUUACIJSA-N -1 0 400.544 5.147 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000002738265 557752142 /nfs/dbraw/zinc/75/21/42/557752142.db2.gz FDVQCEMKYHQHSX-MSOLQXFVSA-N -1 0 400.544 5.147 50 0 HKAARM CCCCc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])sc2C)cc1 ZINC000002755129 557758024 /nfs/dbraw/zinc/75/80/24/557758024.db2.gz VAFAAFSXTSZXPU-ZWKOTPCHSA-N -1 0 400.544 5.291 50 0 HKAARM CCCCc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])sc2C)cc1 ZINC000002755130 557758084 /nfs/dbraw/zinc/75/80/84/557758084.db2.gz VAFAAFSXTSZXPU-QZTJIDSGSA-N -1 0 400.544 5.291 50 0 HKAARM CCCCc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2C)cc1 ZINC000002755131 557758082 /nfs/dbraw/zinc/75/80/82/557758082.db2.gz VAFAAFSXTSZXPU-ROUUACIJSA-N -1 0 400.544 5.291 50 0 HKAARM CCCCc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2C)cc1 ZINC000002755132 557758058 /nfs/dbraw/zinc/75/80/58/557758058.db2.gz VAFAAFSXTSZXPU-MSOLQXFVSA-N -1 0 400.544 5.291 50 0 HKAARM CCCCOc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000002756282 568806616 /nfs/dbraw/zinc/80/66/16/568806616.db2.gz WLKPBWPOPHXTCY-UHFFFAOYSA-N -1 0 400.272 5.541 50 0 HKAARM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1c(F)c(F)c(F)c(F)c1F ZINC000002757133 557380395 /nfs/dbraw/zinc/38/03/95/557380395.db2.gz PKUAAFXLWNTKBM-UHFFFAOYSA-N -1 0 402.706 5.251 50 0 HKAARM C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)C(=O)[O-] ZINC000002774614 557384621 /nfs/dbraw/zinc/38/46/21/557384621.db2.gz MPQATARIQCNXHG-KRWDZBQOSA-N -1 0 400.503 5.772 50 0 HKAARM C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)C(=O)[O-] ZINC000002774615 557384650 /nfs/dbraw/zinc/38/46/50/557384650.db2.gz MPQATARIQCNXHG-QGZVFWFLSA-N -1 0 400.503 5.772 50 0 HKAARM Cc1ccc(-c2cc(C(F)F)nc3sc4c([n-]c(-c5ccncc5)nc4=O)c32)cc1 ZINC000002785606 557758956 /nfs/dbraw/zinc/75/89/56/557758956.db2.gz FBMMHKLQVBHITH-UHFFFAOYSA-N -1 0 420.444 5.508 50 0 HKAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1sc2cc(OC(F)F)ccc2c1Cl ZINC000002793191 568810336 /nfs/dbraw/zinc/81/03/36/568810336.db2.gz DPYVIOSMPOUGPJ-UHFFFAOYSA-N -1 0 411.813 5.415 50 0 HKAARM Cc1c(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)cccc1C(=O)[O-] ZINC000002793826 568810361 /nfs/dbraw/zinc/81/03/61/568810361.db2.gz LGJCRRIOTMXGDM-UHFFFAOYSA-N -1 0 411.813 5.415 50 0 HKAARM Cc1c(NC(=O)c2sc3cc(OC(F)F)ccc3c2Cl)cccc1C(=O)[O-] ZINC000002793926 568810280 /nfs/dbraw/zinc/81/02/80/568810280.db2.gz JXFQYGROPYBJQA-UHFFFAOYSA-N -1 0 411.813 5.415 50 0 HKAARM CCn1ccc(-c2nc(=O)c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3[n-]2)n1 ZINC000002800251 568810729 /nfs/dbraw/zinc/81/07/29/568810729.db2.gz HOWRFQOBEQLCOL-UHFFFAOYSA-N -1 0 423.448 5.021 50 0 HKAARM Cc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)[O-])cc1C ZINC000002810359 568812178 /nfs/dbraw/zinc/81/21/78/568812178.db2.gz OSGMFGKCWIBWRD-UHFFFAOYSA-N -1 0 407.322 6.104 50 0 HKAARM Cc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2CC(=O)[O-])cc1 ZINC000002814133 557394714 /nfs/dbraw/zinc/39/47/14/557394714.db2.gz JRJMBQCIJBDRIL-UHFFFAOYSA-N -1 0 403.301 5.252 50 0 HKAARM O=C([O-])Cc1sc(Nc2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000002817826 560732393 /nfs/dbraw/zinc/73/23/93/560732393.db2.gz DFCMQNJBQNIEHU-UHFFFAOYSA-N -1 0 402.475 5.973 50 0 HKAARM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000002837669 557399577 /nfs/dbraw/zinc/39/95/77/557399577.db2.gz JCIPPXGJESQMKC-UHFFFAOYSA-N -1 0 417.317 5.493 50 0 HKAARM CCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000002837695 557399604 /nfs/dbraw/zinc/39/96/04/557399604.db2.gz RPBIZLAZGMTNBL-UHFFFAOYSA-N -1 0 413.326 5.005 50 0 HKAARM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc3ccccc31)cc2Cl ZINC000002840792 557400905 /nfs/dbraw/zinc/40/09/05/557400905.db2.gz XHUJSJHKCNWAAM-UHFFFAOYSA-N -1 0 413.882 5.551 50 0 HKAARM O=C([O-])c1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000002841270 557401050 /nfs/dbraw/zinc/40/10/50/557401050.db2.gz LWSZCNMWARBYMX-FQEVSTJZSA-N -1 0 424.294 5.574 50 0 HKAARM O=C([O-])c1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000002841271 557401128 /nfs/dbraw/zinc/40/11/28/557401128.db2.gz LWSZCNMWARBYMX-HXUWFJFHSA-N -1 0 424.294 5.574 50 0 HKAARM CCCCOC(=O)N=c1[n-]nc(-c2ccccc2SCc2ccc(F)cc2)s1 ZINC000002844266 557402143 /nfs/dbraw/zinc/40/21/43/557402143.db2.gz FHFGWOOFJPLIFY-UHFFFAOYSA-N -1 0 417.531 5.985 50 0 HKAARM O=S(=O)([N-]c1ccc(Br)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000002857056 560732175 /nfs/dbraw/zinc/73/21/75/560732175.db2.gz CHFVOYKZTSYSLO-UHFFFAOYSA-N -1 0 415.523 5.210 50 0 HKAARM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl ZINC000002857288 557407911 /nfs/dbraw/zinc/40/79/11/557407911.db2.gz KQKNIHRFCIECQZ-UHFFFAOYSA-N -1 0 401.098 5.110 50 0 HKAARM CCCCn1c(C)c(C(C)=O)c2c1c(Cl)c(Cl)c(Cl)c2OCC(=O)[O-] ZINC000002867357 557412787 /nfs/dbraw/zinc/41/27/87/557412787.db2.gz JGLWBFJCLHTJKB-UHFFFAOYSA-N -1 0 406.693 5.376 50 0 HKAARM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000002868470 557413600 /nfs/dbraw/zinc/41/36/00/557413600.db2.gz QXUYTGXODSUVQS-UHFFFAOYSA-N -1 0 409.096 5.804 50 0 HKAARM O=C([O-])c1cccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1 ZINC000002869503 569278158 /nfs/dbraw/zinc/27/81/58/569278158.db2.gz WVQVDPOQZOIJJY-UHFFFAOYSA-N -1 0 424.831 5.806 50 0 aggregator HKAARM O=C([O-])c1ccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 ZINC000002877183 569278380 /nfs/dbraw/zinc/27/83/80/569278380.db2.gz VEKYCRYTCOMEMD-UHFFFAOYSA-N -1 0 424.831 5.806 50 0 aggregator HKAARM O=C([O-])c1cccc2c1-c1ccccc1[C@@H]2NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002903468 557424913 /nfs/dbraw/zinc/42/49/13/557424913.db2.gz ADELLQVNCCNUMD-SANMLTNESA-N -1 0 419.480 5.403 50 0 HKAARM O=C([O-])c1cccc2c1-c1ccccc1[C@H]2NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002903469 557424864 /nfs/dbraw/zinc/42/48/64/557424864.db2.gz ADELLQVNCCNUMD-AREMUKBSSA-N -1 0 419.480 5.403 50 0 HKAARM Cc1[nH]c2ccc(-c3n[n-]c(=S)n3-c3ccc(Oc4ccccc4)cc3)cc2c1C ZINC000002911281 568815913 /nfs/dbraw/zinc/81/59/13/568815913.db2.gz XYFIADBYDXMIMZ-UHFFFAOYSA-N -1 0 412.518 6.487 50 0 HKAARM O=c1oc2cc([O-])ccc2cc1-c1csc(-c2ccc(Br)cc2)n1 ZINC000002957571 568829909 /nfs/dbraw/zinc/82/99/09/568829909.db2.gz ORIBHDJQYRCCLY-UHFFFAOYSA-N -1 0 400.253 5.052 50 0 HKAARM O=c1c2sc3ccccc3c2[n-]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000002961709 568830466 /nfs/dbraw/zinc/83/04/66/568830466.db2.gz CEXWJKVPPBNPKO-UHFFFAOYSA-N -1 0 407.564 5.111 50 0 HKAARM CCN(CCCn1c(=O)c2sc3ccccc3c2[n-]c1=S)c1cccc(C)c1 ZINC000002961734 568830450 /nfs/dbraw/zinc/83/04/50/568830450.db2.gz LVLAUKIHWAUZFX-UHFFFAOYSA-N -1 0 409.580 5.499 50 0 HKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000002968790 568831168 /nfs/dbraw/zinc/83/11/68/568831168.db2.gz HJPMPVSGNLZEAW-UHFFFAOYSA-N -1 0 423.468 5.883 50 0 HKAARM Cc1cc(C)cc(NC(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)c1 ZINC000002971035 568831947 /nfs/dbraw/zinc/83/19/47/568831947.db2.gz DNLBOXRUNIJTBY-UHFFFAOYSA-N -1 0 421.566 5.121 50 0 HKAARM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000002998267 557439104 /nfs/dbraw/zinc/43/91/04/557439104.db2.gz JKBPUICICIQRQG-UHFFFAOYSA-N -1 0 421.909 5.578 50 0 HKAARM CCOc1ccc(-c2nc3ccc(C(=O)[O-])cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000003028808 568842478 /nfs/dbraw/zinc/84/24/78/568842478.db2.gz FLTJIYZKDSWARU-UHFFFAOYSA-N -1 0 414.461 5.459 50 0 HKAARM O=C([O-])c1ccc(N2CCCCC2)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000003028930 132261678 /nfs/dbraw/zinc/26/16/78/132261678.db2.gz PYYAGMIGPRBDCG-UHFFFAOYSA-N -1 0 408.285 5.326 50 0 HKAARM O=C([O-])c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000003028996 557442724 /nfs/dbraw/zinc/44/27/24/557442724.db2.gz VYUQFAHRZQDCSM-UHFFFAOYSA-N -1 0 413.857 5.489 50 0 HKAARM O=C([O-])c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003029438 132261697 /nfs/dbraw/zinc/26/16/97/132261697.db2.gz HCRFFKZXQJDVCU-FYJGNVAPSA-N -1 0 405.450 5.204 50 0 HKAARM O=C([O-])c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003029720 132261713 /nfs/dbraw/zinc/26/17/13/132261713.db2.gz YEOWNJZBLACDIF-BKUYFWCQSA-N -1 0 405.837 5.005 50 0 HKAARM O=C([O-])c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C\c1ccccc1)S2 ZINC000003030102 132261690 /nfs/dbraw/zinc/26/16/90/132261690.db2.gz DAJBEGBNQCRJLW-CIAFOILYSA-N -1 0 405.450 5.204 50 0 HKAARM O=C([O-])c1ccc(/C=C2\Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000003030147 132261694 /nfs/dbraw/zinc/26/16/94/132261694.db2.gz QHTXWTTULBDHPL-BKUYFWCQSA-N -1 0 421.905 5.718 50 0 HKAARM Cc1cccc(CN2c3cc(C(=O)[O-])ccc3S/C(=C/c3ccccc3)C2=O)c1 ZINC000003030328 132261707 /nfs/dbraw/zinc/26/17/07/132261707.db2.gz QDAKVADNRJOLCT-LPYMAVHISA-N -1 0 401.487 5.373 50 0 HKAARM Cc1cccc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000003035754 568845756 /nfs/dbraw/zinc/84/57/56/568845756.db2.gz DVHYPMWZDRJGOU-UHFFFAOYSA-N -1 0 424.953 5.746 50 0 HKAARM Cc1ccccc1NC(=S)N(Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000003035760 568845732 /nfs/dbraw/zinc/84/57/32/568845732.db2.gz AZAQXWPKNOLDQW-UHFFFAOYSA-N -1 0 424.953 5.746 50 0 HKAARM Cc1ccc(NC(=S)N(Cc2ccccc2C)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000003036348 568845769 /nfs/dbraw/zinc/84/57/69/568845769.db2.gz ATPCJTCCKXCRDX-UHFFFAOYSA-N -1 0 410.583 5.393 50 0 HKAARM Cc1cccc(NC(=S)N(Cc2ccccc2C)CC2CCC(C(=O)[O-])CC2)c1 ZINC000003036350 568845757 /nfs/dbraw/zinc/84/57/57/568845757.db2.gz FHJBLGBHWWIQFM-UHFFFAOYSA-N -1 0 410.583 5.393 50 0 HKAARM Cc1ccc(C)c(NC(=S)N(Cc2ccccc2C)CC2CCC(C(=O)[O-])CC2)c1 ZINC000003036354 568845752 /nfs/dbraw/zinc/84/57/52/568845752.db2.gz BUEFFIROKBMSPC-UHFFFAOYSA-N -1 0 424.610 5.702 50 0 HKAARM CCc1ccc(NC(=S)N(Cc2ccccc2C)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000003036356 568845737 /nfs/dbraw/zinc/84/57/37/568845737.db2.gz MOXXVWOCFAOINH-UHFFFAOYSA-N -1 0 424.610 5.647 50 0 HKAARM Cc1ccccc1CN(CC1CCC(C(=O)[O-])CC1)C(=S)Nc1ccccc1C ZINC000003036361 568845772 /nfs/dbraw/zinc/84/57/72/568845772.db2.gz BILHQZAKRRPXFY-UHFFFAOYSA-N -1 0 410.583 5.393 50 0 HKAARM Cc1ccccc1CN(CC1CCC(C(=O)[O-])CC1)C(=S)Nc1c(C)cccc1C ZINC000003037334 568845749 /nfs/dbraw/zinc/84/57/49/568845749.db2.gz XMKNPDJOMSOYAS-UHFFFAOYSA-N -1 0 424.610 5.702 50 0 HKAARM Cc1cc(C)cc(NC(=S)N(Cc2ccccc2C)CC2CCC(C(=O)[O-])CC2)c1 ZINC000003037336 568845764 /nfs/dbraw/zinc/84/57/64/568845764.db2.gz RWNNSYOBNQZFGO-UHFFFAOYSA-N -1 0 424.610 5.702 50 0 HKAARM Cc1ccccc1CN(CC1CCC(C(=O)[O-])CC1)C(=S)Nc1ccccc1F ZINC000003037338 568845760 /nfs/dbraw/zinc/84/57/60/568845760.db2.gz IRDLICDOYLOHLS-UHFFFAOYSA-N -1 0 414.546 5.224 50 0 HKAARM CCOc1ccc(CN(C(=S)Nc2cccc(C)c2)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000003037382 568845729 /nfs/dbraw/zinc/84/57/29/568845729.db2.gz HUPHSZJYQCJLLG-NRFANRHFSA-N -1 0 414.571 5.092 50 0 HKAARM CCOc1ccc(CN(C(=S)Nc2cccc(C)c2)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000003037384 568845965 /nfs/dbraw/zinc/84/59/65/568845965.db2.gz HUPHSZJYQCJLLG-OAQYLSRUSA-N -1 0 414.571 5.092 50 0 HKAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000003065162 557444463 /nfs/dbraw/zinc/44/44/63/557444463.db2.gz JJFZQQQAZZZXRY-UHFFFAOYSA-N -1 0 400.217 5.843 50 0 HKAARM CCCCCCc1cc2c(cc1[O-])occ(-c1csc(-c3ccccc3)n1)c2=O ZINC000003071733 568853779 /nfs/dbraw/zinc/85/37/79/568853779.db2.gz LVJHWKBAUCZONM-UHFFFAOYSA-N -1 0 405.519 6.412 50 0 biogenic HKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)cc2C)cc1 ZINC000003075039 558711993 /nfs/dbraw/zinc/71/19/93/558711993.db2.gz HMVLFGAHWQXAKN-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM Cc1ccc(NC(=O)c2cccc(OC(=S)[N-]c3ccc4ccccc4c3)c2)cc1 ZINC000003079489 557445237 /nfs/dbraw/zinc/44/52/37/557445237.db2.gz YKZWIOIQLSBZPY-UHFFFAOYSA-N -1 0 412.514 6.176 50 0 HKAARM Cc1cccc(NC(=O)c2ccc(OC(=S)[N-]c3ccc(N(C)C)cc3)cc2)c1C ZINC000003079594 557445268 /nfs/dbraw/zinc/44/52/68/557445268.db2.gz HDSUTSPVRQJQGS-UHFFFAOYSA-N -1 0 419.550 5.398 50 0 HKAARM Cc1ccc(NC(=O)c2cccc(OC(=S)[N-][C@@H](C)c3ccccc3)c2)cc1C ZINC000003081624 568854289 /nfs/dbraw/zinc/85/42/89/568854289.db2.gz HSJLOGHYDDSVJF-SFHVURJKSA-N -1 0 404.535 5.570 50 0 HKAARM Cc1ccc(NC(=O)c2cccc(OC(=S)[N-][C@H](C)c3ccccc3)c2)cc1C ZINC000003081625 568854308 /nfs/dbraw/zinc/85/43/08/568854308.db2.gz HSJLOGHYDDSVJF-GOSISDBHSA-N -1 0 404.535 5.570 50 0 HKAARM O=C(Nc1cccc2ccccc21)c1ccc(OC(=S)[N-]c2ccc(F)cc2)cc1 ZINC000003082560 568854318 /nfs/dbraw/zinc/85/43/18/568854318.db2.gz IMQJQJFYVFLHRK-UHFFFAOYSA-N -1 0 416.477 6.007 50 0 HKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cccc(Cl)c1 ZINC000003085962 568727646 /nfs/dbraw/zinc/72/76/46/568727646.db2.gz GYJDWWMQQUHLDN-UHFFFAOYSA-N -1 0 413.471 5.904 50 0 HKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1Cl ZINC000003085963 568727662 /nfs/dbraw/zinc/72/76/62/568727662.db2.gz VQNSGEFZLPWNGK-UHFFFAOYSA-N -1 0 413.471 5.904 50 0 HKAARM Cc1cc(C)c(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])cc1C ZINC000003085964 569288820 /nfs/dbraw/zinc/28/88/20/569288820.db2.gz FKMGVMYKQOZSGJ-UHFFFAOYSA-N -1 0 421.107 6.176 50 0 HKAARM O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)[N-]c2ccc(Cl)cc2)c1 ZINC000003088943 558747873 /nfs/dbraw/zinc/74/78/73/558747873.db2.gz BENULXUVMSXKDH-UHFFFAOYSA-N -1 0 417.317 6.022 50 0 HKAARM Cc1ccc([N-]C(=S)Oc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 ZINC000003088985 568854576 /nfs/dbraw/zinc/85/45/76/568854576.db2.gz QGZWOVBPLJPPAR-UHFFFAOYSA-N -1 0 412.514 6.176 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1 ZINC000003100791 568855353 /nfs/dbraw/zinc/85/53/53/568855353.db2.gz QZGYZZPIUKKSHP-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000003104101 568855569 /nfs/dbraw/zinc/85/55/69/568855569.db2.gz KHEBGFOCEDPDIJ-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM O=S(=O)([O-])c1ccc(-c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)cc1 ZINC000003107070 557447456 /nfs/dbraw/zinc/44/74/56/557447456.db2.gz AIGPPPSZNULWPQ-UHFFFAOYSA-N -1 0 402.471 5.640 50 0 HKAARM CC(C)(C)c1ccc(OC([O-])=NC(=O)c2c(F)cccc2Cl)c(C(C)(C)C)c1 ZINC000003118262 557447960 /nfs/dbraw/zinc/44/79/60/557447960.db2.gz HIIQSAVMYYQRBG-UHFFFAOYSA-N -1 0 405.897 6.003 50 0 HKAARM FC(F)(F)c1cc([N-]C(=S)Sc2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000003135248 557449698 /nfs/dbraw/zinc/44/96/98/557449698.db2.gz MUGTVCAEQOWWCD-UHFFFAOYSA-N -1 0 415.811 6.867 50 0 HKAARM CCc1cc2c(cc1C(=O)CSc1ncccc1C(=O)[O-])C(C)(C)CCC2(C)C ZINC000003138590 557450446 /nfs/dbraw/zinc/45/04/46/557450446.db2.gz PXXGMVVQGLALJQ-UHFFFAOYSA-N -1 0 411.567 5.666 50 0 HKAARM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(=O)[O-])cc1 ZINC000003154348 560749468 /nfs/dbraw/zinc/74/94/68/560749468.db2.gz ABJHMRCVIHTEQO-UHFFFAOYSA-N -1 0 413.498 6.341 50 0 HKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000003166254 557452393 /nfs/dbraw/zinc/45/23/93/557452393.db2.gz ZRCQUCQRGKJKSP-UHFFFAOYSA-N -1 0 407.469 5.899 50 0 HKAARM O=C([O-])c1ccccc1N(Cc1ccc(Br)cc1)C(=O)c1cccs1 ZINC000003167355 568859165 /nfs/dbraw/zinc/85/91/65/568859165.db2.gz UPEFTSIUISKLNA-UHFFFAOYSA-N -1 0 416.296 5.056 50 0 HKAARM Cc1cc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000003171068 568859554 /nfs/dbraw/zinc/85/95/54/568859554.db2.gz WGGGIMAJEGICBH-UHFFFAOYSA-N -1 0 424.551 5.161 50 0 HKAARM CC(C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000003171774 568859485 /nfs/dbraw/zinc/85/94/85/568859485.db2.gz UARCQCIHUNTJKE-UHFFFAOYSA-N -1 0 424.551 5.359 50 0 HKAARM CCc1cccc(C)c1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000003171798 568476482 /nfs/dbraw/zinc/47/64/82/568476482.db2.gz KDAHMBUXHGJDOA-UHFFFAOYSA-N -1 0 424.551 5.107 50 0 HKAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000003177589 568477940 /nfs/dbraw/zinc/47/79/40/568477940.db2.gz KQMZSIIFGSINMK-UHFFFAOYSA-N -1 0 409.466 5.860 50 0 HKAARM CCc1cc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc2cc1[O-] ZINC000003187238 557454392 /nfs/dbraw/zinc/45/43/92/557454392.db2.gz BNVJTYTVXFXNBA-UHFFFAOYSA-N -1 0 400.352 6.025 50 0 HKAARM CC(C)(C)c1ccc2cc(C(C)(C)C)cc(S(=O)(=O)[N-]c3ccccc3O)c2c1 ZINC000003212596 568862154 /nfs/dbraw/zinc/86/21/54/568862154.db2.gz DCOXXZAFVQIDBV-UHFFFAOYSA-N -1 0 411.567 5.941 50 0 HKAARM COc1cc2c(cc1NC(=O)CSc1ccccc1C(=O)[O-])oc1ccccc12 ZINC000003213738 568862408 /nfs/dbraw/zinc/86/24/08/568862408.db2.gz YVRCQTNNXUJPSN-UHFFFAOYSA-N -1 0 407.447 5.024 50 0 HKAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000003220605 568847216 /nfs/dbraw/zinc/84/72/16/568847216.db2.gz WOPFXXWCASSRNB-UHFFFAOYSA-N -1 0 418.522 5.045 50 0 HKAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003220617 568847229 /nfs/dbraw/zinc/84/72/29/568847229.db2.gz WAAJDKXWPHYXPL-UHFFFAOYSA-N -1 0 418.522 5.045 50 0 HKAARM O=C([O-])c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000003239336 557462449 /nfs/dbraw/zinc/46/24/49/557462449.db2.gz PYIPWNIODBQXSI-UHFFFAOYSA-N -1 0 417.852 5.143 50 0 HKAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000003256968 568868520 /nfs/dbraw/zinc/86/85/20/568868520.db2.gz YAEMMCUWPGRFDK-UHFFFAOYSA-N -1 0 403.731 5.178 50 0 HKAARM CCOC(=O)c1c2c(sc1[N-]c1nc(-c3ccc(CC)cc3)cs1)CCCC2 ZINC000003261467 568869205 /nfs/dbraw/zinc/86/92/05/568869205.db2.gz NIRMYDGTLRTJOZ-UHFFFAOYSA-N -1 0 412.580 6.233 50 0 HKAARM CCOC(=O)c1c2c(sc1[N-]c1nc(-c3ccc(C)c(C)c3)cs1)CCCC2 ZINC000003261471 560590956 /nfs/dbraw/zinc/59/09/56/560590956.db2.gz ZVBOHWXDHVGDCA-UHFFFAOYSA-N -1 0 412.580 6.288 50 0 HKAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 ZINC000003285153 568872364 /nfs/dbraw/zinc/87/23/64/568872364.db2.gz LTZFVAPRJUNTAV-UHFFFAOYSA-N -1 0 423.925 5.302 50 0 HKAARM Cc1ccccc1NC(=O)Sc1nnc(Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000003317375 568879613 /nfs/dbraw/zinc/87/96/13/568879613.db2.gz ZWMQADLJGHZSSW-UHFFFAOYSA-N -1 0 421.309 5.107 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1 ZINC000003321887 568854399 /nfs/dbraw/zinc/85/43/99/568854399.db2.gz IGAZCRMVNQSTBT-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM O=C([O-])Cc1c(-c2cccs2)nc2sc3c(c2c1-c1ccccc1)CCCC3 ZINC000003324282 568854621 /nfs/dbraw/zinc/85/46/21/568854621.db2.gz GIJXFMXTQNKYAI-UHFFFAOYSA-N -1 0 405.544 6.198 50 0 HKAARM O=C([O-])Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000003324489 568880987 /nfs/dbraw/zinc/88/09/87/568880987.db2.gz IOWIRGSWQPCSCV-UHFFFAOYSA-N -1 0 408.284 6.503 50 0 HKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F)oc1ccccc12 ZINC000003329023 560593365 /nfs/dbraw/zinc/59/33/65/560593365.db2.gz RJSCHJRWGJYMJZ-UHFFFAOYSA-N -1 0 421.396 5.414 50 0 HKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl)oc1ccccc12 ZINC000003329032 560593343 /nfs/dbraw/zinc/59/33/43/560593343.db2.gz HAKVUBQFMISKPF-UHFFFAOYSA-N -1 0 422.289 5.702 50 0 HKAARM Cc1ccc(-c2c3c(nc(-c4cccs4)c2CC(=O)[O-])sc2c3CCCC2)cc1 ZINC000003343064 568856012 /nfs/dbraw/zinc/85/60/12/568856012.db2.gz CBJXOGOOCSTREG-UHFFFAOYSA-N -1 0 419.571 6.506 50 0 HKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)oc1ccccc12 ZINC000003349196 569278576 /nfs/dbraw/zinc/27/85/76/569278576.db2.gz MAWABLBXOSYEDJ-UHFFFAOYSA-N -1 0 421.396 5.414 50 0 HKAARM COc1ccc(CCn2c(=O)c3cc(-c4ccccc4)sc3[n-]c2=S)cc1OC ZINC000003369993 557480336 /nfs/dbraw/zinc/48/03/36/557480336.db2.gz YJNQGOLZTZICHJ-UHFFFAOYSA-N -1 0 424.547 5.047 50 0 HKAARM CSc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cc2s1 ZINC000003376853 568891526 /nfs/dbraw/zinc/89/15/26/568891526.db2.gz ZEJHJCWNGMWACN-UHFFFAOYSA-N -1 0 405.353 5.126 50 0 aggregator HKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000003382845 568892855 /nfs/dbraw/zinc/89/28/55/568892855.db2.gz IHRYZMMCMOEDAV-UHFFFAOYSA-N -1 0 400.459 5.428 50 0 HKAARM O=c1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)[n-]c2ccsc21 ZINC000003410276 560594270 /nfs/dbraw/zinc/59/42/70/560594270.db2.gz FGCXGXSTSHYELN-UHFFFAOYSA-N -1 0 417.515 5.599 50 0 HKAARM O=C(c1cc(-c2nc3ccccc3s2)c2nc3ccccc3n2c1)c1ccccc1[O-] ZINC000003418798 568899470 /nfs/dbraw/zinc/89/94/70/568899470.db2.gz CTUFWUDSVQKJQF-UHFFFAOYSA-N -1 0 421.481 5.701 50 0 HKAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000003435961 568902662 /nfs/dbraw/zinc/90/26/62/568902662.db2.gz LIWKBRGQTNYMJC-UHFFFAOYSA-N -1 0 415.477 5.529 50 0 HKAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)s4)cc3)sc2c1 ZINC000003467682 557488940 /nfs/dbraw/zinc/48/89/40/557488940.db2.gz CKPUVRNVWBNZNL-UHFFFAOYSA-N -1 0 420.968 5.787 50 0 HKAARM CC(C)(C)c1ccc(-c2csc(NC(=O)/C=C/c3cccs3)c2C(=O)[O-])cc1 ZINC000003526105 568861748 /nfs/dbraw/zinc/86/17/48/568861748.db2.gz GIEPZMZWBRLWDL-ZHACJKMWSA-N -1 0 411.548 6.124 50 0 HKAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000003626521 568864959 /nfs/dbraw/zinc/86/49/59/568864959.db2.gz QFRBYLDZVLBHOF-QGZVFWFLSA-N -1 0 424.324 5.002 50 0 HKAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000003626523 568864930 /nfs/dbraw/zinc/86/49/30/568864930.db2.gz QFRBYLDZVLBHOF-KRWDZBQOSA-N -1 0 424.324 5.002 50 0 HKAARM O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O ZINC000003630025 568921066 /nfs/dbraw/zinc/92/10/66/568921066.db2.gz RIEPLXXBVARWLM-UHFFFAOYSA-N -1 0 413.930 5.470 50 0 HKAARM O=C(NCCC1=CCCCC1)c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O ZINC000003630033 568921061 /nfs/dbraw/zinc/92/10/61/568921061.db2.gz JLSOHIMCPRXEHV-UHFFFAOYSA-N -1 0 411.571 5.185 50 0 HKAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2[n-]c1=S ZINC000003630049 569321142 /nfs/dbraw/zinc/32/11/42/569321142.db2.gz HBUNCDSNYNQZTB-UHFFFAOYSA-N -1 0 401.919 5.155 50 0 HKAARM Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCCC2)c3=O)cc1C ZINC000003631074 568921244 /nfs/dbraw/zinc/92/12/44/568921244.db2.gz KZKVIKFDYCKVJW-UHFFFAOYSA-N -1 0 407.539 5.433 50 0 HKAARM O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O ZINC000003631089 568921254 /nfs/dbraw/zinc/92/12/54/568921254.db2.gz NUWSKADSRQSZAB-UHFFFAOYSA-N -1 0 419.550 5.305 50 0 HKAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2[n-]c1=S ZINC000003631158 568921412 /nfs/dbraw/zinc/92/14/12/568921412.db2.gz LDLGDWUXUMDDIN-UHFFFAOYSA-N -1 0 415.946 5.463 50 0 HKAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2[n-]c1=S ZINC000003631159 568865360 /nfs/dbraw/zinc/86/53/60/568865360.db2.gz AZLJMGADJXJTQP-UHFFFAOYSA-N -1 0 419.909 5.294 50 0 HKAARM Cc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)[O-])c(C)c1 ZINC000003651673 569321310 /nfs/dbraw/zinc/32/13/10/569321310.db2.gz UARFVLQVPQBSTO-UHFFFAOYSA-N -1 0 406.429 5.816 50 0 HKAARM COc1ccc(OC)c(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])c1 ZINC000003651679 568922617 /nfs/dbraw/zinc/92/26/17/568922617.db2.gz SIKWNCAICRYPIM-UHFFFAOYSA-N -1 0 418.902 5.160 50 0 HKAARM Cc1oc2c(cc(NS(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc23)c1C(=O)[O-] ZINC000003656696 557496900 /nfs/dbraw/zinc/49/69/00/557496900.db2.gz QSVJWIOWKPVQDH-UHFFFAOYSA-N -1 0 423.490 5.517 50 0 HKAARM O=C([O-])c1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000003668884 568867388 /nfs/dbraw/zinc/86/73/88/568867388.db2.gz RDVPRCBDEACXSF-UHFFFAOYSA-N -1 0 420.443 6.468 50 0 HKAARM Cc1ccc(N2C(SCC(=O)[O-])=NC(=Nc3cccc(C)c3)C23CCCC3)cc1 ZINC000003671652 568924619 /nfs/dbraw/zinc/92/46/19/568924619.db2.gz GVWNAIOGFQDCOH-UHFFFAOYSA-N -1 0 407.539 5.340 50 0 HKAARM O=C([O-])CC/C=C\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O ZINC000003782896 557498495 /nfs/dbraw/zinc/49/84/95/557498495.db2.gz WHUIENZXNGAHQI-GKZDNZBASA-N -1 0 402.874 5.260 50 0 in-vitro HKAARM COc1ccc(-c2ccc3cc(C(=O)[O-])ccc3c2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000003784182 557498502 /nfs/dbraw/zinc/49/85/02/557498502.db2.gz LZCDAPDGXCYOEH-UHFFFAOYSA-N -1 0 412.529 6.681 50 0 fda HKAARM CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)[O-] ZINC000003803377 557498747 /nfs/dbraw/zinc/49/87/47/557498747.db2.gz BZMKNPGKXJAIDV-VAWYXSNFSA-N -1 0 412.555 5.801 50 0 world HKAARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000003864299 557501591 /nfs/dbraw/zinc/50/15/91/557501591.db2.gz WOTVOXOQEDYVLF-UHFFFAOYSA-N -1 0 417.527 5.001 50 0 HKAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000003883494 557502620 /nfs/dbraw/zinc/50/26/20/557502620.db2.gz BIGGWCFMLOZZEV-OALUTQOASA-N -1 0 404.293 5.301 50 0 HKAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000003883495 557502626 /nfs/dbraw/zinc/50/26/26/557502626.db2.gz BIGGWCFMLOZZEV-MOPGFXCFSA-N -1 0 404.293 5.301 50 0 HKAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000003883496 557502615 /nfs/dbraw/zinc/50/26/15/557502615.db2.gz BIGGWCFMLOZZEV-RBUKOAKNSA-N -1 0 404.293 5.301 50 0 HKAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000003883497 557502639 /nfs/dbraw/zinc/50/26/39/557502639.db2.gz BIGGWCFMLOZZEV-RTBURBONSA-N -1 0 404.293 5.301 50 0 HKAARM O=C([O-])C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc2ccccc2s1 ZINC000003884667 557502473 /nfs/dbraw/zinc/50/24/73/557502473.db2.gz PAWZZZJJPFVBFE-CPNJWEJPSA-N -1 0 401.487 5.891 50 0 HKAARM O=C([O-])C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1 ZINC000003884680 557502465 /nfs/dbraw/zinc/50/24/65/557502465.db2.gz KRFDRGKRBQQYEB-XMHGGMMESA-N -1 0 401.487 5.891 50 0 HKAARM O=C([O-])C/C(=C\c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 ZINC000003884681 557502608 /nfs/dbraw/zinc/50/26/08/557502608.db2.gz MNEVNDWMLGHQKV-FOWTUZBSSA-N -1 0 421.905 6.757 50 0 HKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(Oc2ccccc2)cc1 ZINC000003885009 557502513 /nfs/dbraw/zinc/50/25/13/557502513.db2.gz PZSKOXZXWJYXCB-HTXNQAPBSA-N -1 0 407.469 6.602 50 0 HKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000003999079 568931783 /nfs/dbraw/zinc/93/17/83/568931783.db2.gz DFKDXSLPCQWBIQ-NRFANRHFSA-N -1 0 406.507 5.078 50 0 biogenic HKAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 ZINC000004010513 557505103 /nfs/dbraw/zinc/50/51/03/557505103.db2.gz MDTNAUJUNYWLRJ-UHFFFAOYSA-N -1 0 408.436 5.091 50 0 HKAARM CCC(C)(C)c1ccc(OCC(=O)NCCCCCC(=O)[O-])c(C(C)(C)CC)c1 ZINC000004016449 568933641 /nfs/dbraw/zinc/93/36/41/568933641.db2.gz QQORCACUSVNIDM-UHFFFAOYSA-N -1 0 405.579 5.202 50 0 HKAARM COc1ccc(-c2csc(NC(=O)c3cccc4ccccc43)c2C(=O)[O-])cc1 ZINC000004019437 557505651 /nfs/dbraw/zinc/50/56/51/557505651.db2.gz KYGRVZBKGVZIMR-UHFFFAOYSA-N -1 0 403.459 5.527 50 0 HKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(C(C)C)cc3)C2)c(=O)o1 ZINC000004026015 568878195 /nfs/dbraw/zinc/87/81/95/568878195.db2.gz REBZSKNSOWQRKA-QFIPXVFZSA-N -1 0 405.519 6.135 50 0 biogenic HKAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2C)s1 ZINC000004036382 568935598 /nfs/dbraw/zinc/93/55/98/568935598.db2.gz PAOHYNLIPRBHPY-UHFFFAOYSA-N -1 0 415.565 5.091 50 0 HKAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2C)s1 ZINC000004036392 568935509 /nfs/dbraw/zinc/93/55/09/568935509.db2.gz CMGYXRBBPNCVNY-UHFFFAOYSA-N -1 0 415.565 5.091 50 0 HKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@@]21C ZINC000004040368 568879989 /nfs/dbraw/zinc/87/99/89/568879989.db2.gz YSWDCQJTPYALJE-RAIUWEDQSA-N -1 0 404.635 6.742 50 0 biogenic HKAARM Cc1c(OCc2cccc3ccccc32)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000004046002 569060753 /nfs/dbraw/zinc/06/07/53/569060753.db2.gz WQSKWWYKQGVQLB-UHFFFAOYSA-N -1 0 402.446 5.159 50 0 biogenic HKAARM Cc1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc(=O)c1CCC(=O)[O-] ZINC000004046044 557507771 /nfs/dbraw/zinc/50/77/71/557507771.db2.gz YRFASYIKCIEUOS-UHFFFAOYSA-N -1 0 407.249 5.004 50 0 biogenic HKAARM Cc1c(C)c(C)c(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2)c(C)c1C ZINC000004046686 568880169 /nfs/dbraw/zinc/88/01/69/568880169.db2.gz JFJPTKMCCOZELF-UHFFFAOYSA-N -1 0 408.494 5.240 50 0 biogenic HKAARM Cc1ccc2ccccc2c1COc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1C ZINC000004046710 568880322 /nfs/dbraw/zinc/88/03/22/568880322.db2.gz UBYNLIJYLGVVKK-UHFFFAOYSA-N -1 0 416.473 5.468 50 0 biogenic HKAARM CC(C)(C)c1ccc(C(=O)C[C@H](Sc2ccc(C(F)(F)F)cn2)C(=O)[O-])cc1 ZINC000004054235 568880837 /nfs/dbraw/zinc/88/08/37/568880837.db2.gz RVXPGJOMAFOWJB-INIZCTEOSA-N -1 0 411.445 5.216 50 0 HKAARM CC(C)(C)c1ccc(C(=O)C[C@@H](Sc2ccc(C(F)(F)F)cn2)C(=O)[O-])cc1 ZINC000004054236 568880841 /nfs/dbraw/zinc/88/08/41/568880841.db2.gz RVXPGJOMAFOWJB-MRXNPFEDSA-N -1 0 411.445 5.216 50 0 HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000004073860 568938067 /nfs/dbraw/zinc/93/80/67/568938067.db2.gz JBALICPRCDQXRA-NZQNCUKZSA-N -1 0 416.602 5.998 50 0 biogenic HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000004073861 568938096 /nfs/dbraw/zinc/93/80/96/568938096.db2.gz JBALICPRCDQXRA-MUNVUMHYSA-N -1 0 416.602 5.998 50 0 biogenic HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000004073862 568938058 /nfs/dbraw/zinc/93/80/58/568938058.db2.gz JBALICPRCDQXRA-DWRWLNPOSA-N -1 0 416.602 5.998 50 0 biogenic HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000004073863 568938125 /nfs/dbraw/zinc/93/81/25/568938125.db2.gz JBALICPRCDQXRA-YGSBGBNUSA-N -1 0 416.602 5.998 50 0 biogenic HKAARM O=C([O-])c1c2ccccc2nc(-c2ccc(Cl)cc2)c1Oc1ccc(Cl)cc1 ZINC000004091465 568942393 /nfs/dbraw/zinc/94/23/93/568942393.db2.gz ZQTXOTVBHZZUPO-UHFFFAOYSA-N -1 0 410.256 6.699 50 0 HKAARM Cc1ccc(-c2c3ccccc3n(Cc3ccc(Br)cc3)c2C(=O)[O-])cc1 ZINC000004106895 568943477 /nfs/dbraw/zinc/94/34/77/568943477.db2.gz WDPLYGMZVRGDLH-UHFFFAOYSA-N -1 0 420.306 6.126 50 0 HKAARM Cc1ccc(-c2c([O-])c(Cl)c(C(C)(C)C)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000004114612 568944372 /nfs/dbraw/zinc/94/43/72/568944372.db2.gz BCFJHGPEPSGUTD-UHFFFAOYSA-N -1 0 402.321 6.123 50 0 HKAARM CCN(CC)c1ccc(-n2c(C)c(C(=O)[O-])c3cc(OC)c4ccccc4c32)cc1 ZINC000004116260 557515643 /nfs/dbraw/zinc/51/56/43/557515643.db2.gz JSIZYELYOAHYCX-UHFFFAOYSA-N -1 0 402.494 5.645 50 0 HKAARM O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)SCc1ccc(Cl)cc1 ZINC000004118248 568944394 /nfs/dbraw/zinc/94/43/94/568944394.db2.gz JZIBSIXNDLQNLM-INIZCTEOSA-N -1 0 413.720 5.062 50 0 HKAARM O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)SCc1ccc(Cl)cc1 ZINC000004118249 568944364 /nfs/dbraw/zinc/94/43/64/568944364.db2.gz JZIBSIXNDLQNLM-MRXNPFEDSA-N -1 0 413.720 5.062 50 0 HKAARM O=C([O-])[C@H](CC(=O)c1ccc(C2CCCCC2)cc1)Sc1ccc(Cl)cc1 ZINC000004118413 568944385 /nfs/dbraw/zinc/94/43/85/568944385.db2.gz UTDWHKHTQVYLAL-NRFANRHFSA-N -1 0 402.943 6.206 50 0 HKAARM O=C([O-])[C@H](CC(=O)c1ccc(C2CCCCC2)cc1)SCc1ccc(Cl)cc1 ZINC000004118430 568944387 /nfs/dbraw/zinc/94/43/87/568944387.db2.gz IPGMIUZSKCOUQC-QFIPXVFZSA-N -1 0 416.970 6.347 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004128711 569356923 /nfs/dbraw/zinc/35/69/23/569356923.db2.gz PBSOPSDEYNTFAZ-AOEDLRHDSA-N -1 0 404.591 5.688 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004128714 569356904 /nfs/dbraw/zinc/35/69/04/569356904.db2.gz PBSOPSDEYNTFAZ-BQZROWHLSA-N -1 0 404.591 5.688 50 0 HKAARM COc1cccc2sc([N-]c3nc(-c4cc5ccccc5oc4=O)cs3)nc21 ZINC000004137632 568945579 /nfs/dbraw/zinc/94/55/79/568945579.db2.gz YCSVNMHJEIWBKG-UHFFFAOYSA-N -1 0 407.476 5.278 50 0 HKAARM CSc1nc2ccc3nc([N-]c4nc5c(cccc5F)s4)sc3c2s1 ZINC000004137684 568945670 /nfs/dbraw/zinc/94/56/70/568945670.db2.gz VCNFWWFOMJIKQQ-UHFFFAOYSA-N -1 0 404.542 6.120 50 0 HKAARM CC(C)c1ccc2nc([N-]c3nc4ccc(S(C)(=O)=O)cc4s3)sc2c1 ZINC000004137710 568945614 /nfs/dbraw/zinc/94/56/14/568945614.db2.gz VVCDKBPDRAAIIC-UHFFFAOYSA-N -1 0 403.554 5.177 50 0 HKAARM CCCCc1ccc2nc([N-]c3nc4ccc(S(C)(=O)=O)cc4s3)sc2c1 ZINC000004137719 568945693 /nfs/dbraw/zinc/94/56/93/568945693.db2.gz BNKCGMHBNRAYSC-UHFFFAOYSA-N -1 0 417.581 5.396 50 0 HKAARM CCCCc1ccc2nc([N-]c3nc4ccc5sc(C)nc5c4s3)sc2c1 ZINC000004137720 568945606 /nfs/dbraw/zinc/94/56/06/568945606.db2.gz AVYLKACPRHZYSH-UHFFFAOYSA-N -1 0 410.593 6.910 50 0 HKAARM COc1ccc2nc([N-]c3nc(-c4cc5ccccc5oc4=O)cs3)sc2c1 ZINC000004137734 568945619 /nfs/dbraw/zinc/94/56/19/568945619.db2.gz RXPVCTSZKJIGNR-UHFFFAOYSA-N -1 0 407.476 5.278 50 0 HKAARM CSc1nc2ccc3nc([N-]c4nc5ccc(F)cc5s4)sc3c2s1 ZINC000004137785 568945644 /nfs/dbraw/zinc/94/56/44/568945644.db2.gz TXFQQDGPTNPNAV-UHFFFAOYSA-N -1 0 404.542 6.120 50 0 HKAARM CCCc1ccc(-c2nc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])sc2C)cc1 ZINC000004178564 568948969 /nfs/dbraw/zinc/94/89/69/568948969.db2.gz ZARRQPLROGDREJ-MOPGFXCFSA-N -1 0 412.555 5.457 50 0 HKAARM CCCc1ccc(-c2nc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])sc2C)cc1 ZINC000004178565 568949004 /nfs/dbraw/zinc/94/90/04/568949004.db2.gz ZARRQPLROGDREJ-OALUTQOASA-N -1 0 412.555 5.457 50 0 HKAARM CCCc1ccc(-c2nc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])sc2C)cc1 ZINC000004178569 568948979 /nfs/dbraw/zinc/94/89/79/568948979.db2.gz ZARRQPLROGDREJ-RTBURBONSA-N -1 0 412.555 5.457 50 0 HKAARM CCCc1ccc(-c2nc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])sc2C)cc1 ZINC000004178571 568949012 /nfs/dbraw/zinc/94/90/12/568949012.db2.gz ZARRQPLROGDREJ-RBUKOAKNSA-N -1 0 412.555 5.457 50 0 HKAARM [O-]c1c(Cl)cc(Cl)c(Cl)c1Sc1c(O)c(Cl)cc(Cl)c1Cl ZINC000004181889 568928076 /nfs/dbraw/zinc/92/80/76/568928076.db2.gz FLBPYLKSSDOEOO-UHFFFAOYSA-N -1 0 424.947 7.169 50 0 HKAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCCC2)c3=O)[C@@H]1C ZINC000004192262 568950389 /nfs/dbraw/zinc/95/03/89/568950389.db2.gz QEMPFZUUBGDTRZ-CLCXKQKWSA-N -1 0 413.587 5.119 50 0 HKAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCCC2)c3=O)[C@@H]1C ZINC000004192267 568950488 /nfs/dbraw/zinc/95/04/88/568950488.db2.gz QEMPFZUUBGDTRZ-SPYBWZPUSA-N -1 0 413.587 5.119 50 0 HKAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1 ZINC000004300733 557537691 /nfs/dbraw/zinc/53/76/91/557537691.db2.gz NVHUCGSFCRBKBT-ROUUACIJSA-N -1 0 414.889 5.234 50 0 HKAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1 ZINC000004300735 557537756 /nfs/dbraw/zinc/53/77/56/557537756.db2.gz NVHUCGSFCRBKBT-ZWKOTPCHSA-N -1 0 414.889 5.234 50 0 HKAARM O=C([O-])C[C@H](C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1=CCCCC1 ZINC000004300784 557537735 /nfs/dbraw/zinc/53/77/35/557537735.db2.gz UEBBSXQMTZBQNS-AWEZNQCLSA-N -1 0 409.326 5.254 50 0 HKAARM O=C([O-])C[C@@H](C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1=CCCCC1 ZINC000004300785 557537706 /nfs/dbraw/zinc/53/77/06/557537706.db2.gz UEBBSXQMTZBQNS-CQSZACIVSA-N -1 0 409.326 5.254 50 0 HKAARM Cc1c(C)c(C)c(C(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c(C)c1C ZINC000004322383 557540813 /nfs/dbraw/zinc/54/08/13/557540813.db2.gz KMMCDVCLOKMRMU-UHFFFAOYSA-N -1 0 415.489 5.410 50 0 HKAARM Cc1cccc2c3nnc(NN=Cc4c5ccccc5cc5ccccc54)[n-]c-3nc21 ZINC000004322747 557850253 /nfs/dbraw/zinc/85/02/53/557850253.db2.gz BDUKBHXDUOFMQX-UHFFFAOYSA-N -1 0 402.461 5.567 50 0 HKAARM O=C([O-])CS[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000004344315 557544614 /nfs/dbraw/zinc/54/46/14/557544614.db2.gz ATDBZRATEOLXGE-INIZCTEOSA-N -1 0 403.714 5.779 50 0 HKAARM O=C([O-])CS[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000004344316 557544566 /nfs/dbraw/zinc/54/45/66/557544566.db2.gz ATDBZRATEOLXGE-MRXNPFEDSA-N -1 0 403.714 5.779 50 0 HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]4CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000004350053 569356875 /nfs/dbraw/zinc/35/68/75/569356875.db2.gz FCQRLHQHKFKTQE-AXVPQMIXSA-N -1 0 418.618 6.078 50 0 HKAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000004377486 557548903 /nfs/dbraw/zinc/54/89/03/557548903.db2.gz JTCDSOKDGQLHNP-VIFPVBQESA-N -1 0 404.652 5.373 50 0 HKAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000004377487 557548944 /nfs/dbraw/zinc/54/89/44/557548944.db2.gz JTCDSOKDGQLHNP-SECBINFHSA-N -1 0 404.652 5.373 50 0 HKAARM CC(C)(C)c1ccc(NC(=O)C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000004377488 557548901 /nfs/dbraw/zinc/54/89/01/557548901.db2.gz ROBFIANUBPELGM-ZDUSSCGKSA-N -1 0 408.325 5.878 50 0 HKAARM CC(C)(C)c1ccc(NC(=O)C[C@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000004377489 557548898 /nfs/dbraw/zinc/54/88/98/557548898.db2.gz ROBFIANUBPELGM-CYBMUJFWSA-N -1 0 408.325 5.878 50 0 HKAARM CCCCCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1c(F)cccc1Cl ZINC000004381357 557549196 /nfs/dbraw/zinc/54/91/96/557549196.db2.gz KGEIIHWRPDKIFB-QUCCMNQESA-N -1 0 403.881 5.425 50 0 HKAARM CCCCCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1c(F)cccc1Cl ZINC000004381358 557549208 /nfs/dbraw/zinc/54/92/08/557549208.db2.gz KGEIIHWRPDKIFB-UYAOXDASSA-N -1 0 403.881 5.425 50 0 HKAARM CCCCCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1c(F)cccc1Cl ZINC000004381360 557549214 /nfs/dbraw/zinc/54/92/14/557549214.db2.gz KGEIIHWRPDKIFB-ICSRJNTNSA-N -1 0 403.881 5.425 50 0 HKAARM CCCCCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1c(F)cccc1Cl ZINC000004381361 557549177 /nfs/dbraw/zinc/54/91/77/557549177.db2.gz KGEIIHWRPDKIFB-AZUAARDMSA-N -1 0 403.881 5.425 50 0 HKAARM O=C([O-])CC1(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1 ZINC000004389176 557550473 /nfs/dbraw/zinc/55/04/73/557550473.db2.gz UHKZHRFPDVYNNS-UHFFFAOYSA-N -1 0 411.342 5.478 50 0 HKAARM CC(C)(C)c1ccc(C2=Nc3ccccc3N=C(c3cc(Cl)ccc3[O-])C2)cc1 ZINC000004427604 558537053 /nfs/dbraw/zinc/53/70/53/558537053.db2.gz YOKSSMWXILABMI-UHFFFAOYSA-N -1 0 402.925 6.988 50 0 HKAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004474886 557557315 /nfs/dbraw/zinc/55/73/15/557557315.db2.gz DUUDDQLVNUYYMC-UHFFFAOYSA-N -1 0 402.233 5.736 50 0 HKAARM Cc1cc2nc([N-]c3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2cc1C ZINC000004488276 557559183 /nfs/dbraw/zinc/55/91/83/557559183.db2.gz BZHUVLZAXBOBFY-HNNXBMFYSA-N -1 0 415.522 5.063 50 0 HKAARM Cc1cc2nc([N-]c3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2cc1C ZINC000004488277 557559217 /nfs/dbraw/zinc/55/92/17/557559217.db2.gz BZHUVLZAXBOBFY-OAHLLOKOSA-N -1 0 415.522 5.063 50 0 HKAARM O=C([O-])/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000004501711 558615313 /nfs/dbraw/zinc/61/53/13/558615313.db2.gz KCBFLRXEIMLLEK-QHHAFSJGSA-N -1 0 402.071 5.433 50 0 HKAARM O=C1S/C(=C/c2cc(Br)cc(Cl)c2[O-])C(=O)N1c1ccccc1 ZINC000004509735 558623320 /nfs/dbraw/zinc/62/33/20/558623320.db2.gz SFMGKYUQWOKJDC-NTUHNPAUSA-N -1 0 410.676 5.049 50 0 HKAARM O=C([O-])CCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004521120 557563160 /nfs/dbraw/zinc/56/31/60/557563160.db2.gz IMEVDILDSCXKJW-UHFFFAOYSA-N -1 0 423.553 6.121 50 0 HKAARM O=C([O-])CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004529217 557564083 /nfs/dbraw/zinc/56/40/83/557564083.db2.gz LHIVWYJOCNGZRI-UHFFFAOYSA-N -1 0 405.708 6.456 50 0 in-vivo HKAARM CC(C)(C)c1cc(C(C)(C)C)c(O)c2oc(-c3cc(Cl)cc(Cl)c3[O-])nc21 ZINC000004535335 557564259 /nfs/dbraw/zinc/56/42/59/557564259.db2.gz XUEJGXYKPLKYAJ-UHFFFAOYSA-N -1 0 408.325 6.808 50 0 HKAARM O=C([O-])c1cc(Cl)ccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000004535730 557564509 /nfs/dbraw/zinc/56/45/09/557564509.db2.gz YJECRTBMHVZAJW-UHFFFAOYSA-N -1 0 404.702 5.217 50 0 HKAARM O=C([O-])CCC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000004550850 569255374 /nfs/dbraw/zinc/25/53/74/569255374.db2.gz DKDOXKUSEZLZSP-UHFFFAOYSA-N -1 0 401.875 5.010 50 0 HKAARM O=C([O-])Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 ZINC000004576142 569255531 /nfs/dbraw/zinc/25/55/31/569255531.db2.gz RVHSBYNDDLEVQW-UHFFFAOYSA-N -1 0 408.704 5.520 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC(C)=CC[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000004576738 557569486 /nfs/dbraw/zinc/56/94/86/557569486.db2.gz RIZCELMIGUAXHK-ZWKOTPCHSA-N -1 0 406.507 5.267 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC(C)=CC[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000004576739 557569400 /nfs/dbraw/zinc/56/94/00/557569400.db2.gz RIZCELMIGUAXHK-ROUUACIJSA-N -1 0 406.507 5.267 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC(C)=CC[C@H]4C(=O)[O-])cc3)sc2c1 ZINC000004576740 557569403 /nfs/dbraw/zinc/56/94/03/557569403.db2.gz RIZCELMIGUAXHK-QZTJIDSGSA-N -1 0 406.507 5.267 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC(C)=CC[C@H]4C(=O)[O-])cc3)sc2c1 ZINC000004576741 557569439 /nfs/dbraw/zinc/56/94/39/557569439.db2.gz RIZCELMIGUAXHK-MSOLQXFVSA-N -1 0 406.507 5.267 50 0 HKAARM [O-]c1ccc2cc(-c3nc(-c4ccccc4)cs3)/c(=N/c3nccs3)oc2c1 ZINC000004588422 558787646 /nfs/dbraw/zinc/78/76/46/558787646.db2.gz XRTPPTFDNWJRDY-CLCOLTQESA-N -1 0 403.488 5.618 50 0 HKAARM CCCCCc1ccc(-c2ccc(-c3noc(-c4ccc([O-])c(F)c4)n3)cc2)cc1 ZINC000004591813 558829482 /nfs/dbraw/zinc/82/94/82/558829482.db2.gz SDYGTGDZKQACTH-UHFFFAOYSA-N -1 0 402.469 6.648 50 0 HKAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000004593299 558831231 /nfs/dbraw/zinc/83/12/31/558831231.db2.gz RNRQDNIUQFKRIJ-MRXNPFEDSA-N -1 0 417.914 5.289 50 0 HKAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000004593300 558831213 /nfs/dbraw/zinc/83/12/13/558831213.db2.gz RNRQDNIUQFKRIJ-INIZCTEOSA-N -1 0 417.914 5.289 50 0 HKAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000004599834 557571170 /nfs/dbraw/zinc/57/11/70/557571170.db2.gz RRAKJXYICQMMOU-UHFFFAOYSA-N -1 0 402.661 5.143 50 0 HKAARM Cc1ccc(-c2nc(-c3cc4cc(Cl)ccc4oc3=O)sc2CC(=O)[O-])cc1 ZINC000004600021 558835510 /nfs/dbraw/zinc/83/55/10/558835510.db2.gz KWPMXQSOVXMBHV-UHFFFAOYSA-N -1 0 411.866 5.172 50 0 HKAARM COc1ccccc1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)[O-])s1 ZINC000004600134 558835429 /nfs/dbraw/zinc/83/54/29/558835429.db2.gz YQVSXWKODVDZKR-UHFFFAOYSA-N -1 0 417.486 5.905 50 0 HKAARM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000004614573 557572707 /nfs/dbraw/zinc/57/27/07/557572707.db2.gz JSAOTYACARQDQV-UHFFFAOYSA-N -1 0 423.575 5.338 50 0 HKAARM O=C([O-])c1cc(-c2ccccc2Br)nc2ccc(Br)cc21 ZINC000004614576 560735874 /nfs/dbraw/zinc/73/58/74/560735874.db2.gz ZKFNAFHIFMSEOK-UHFFFAOYSA-N -1 0 407.061 5.125 50 0 HKAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc(Br)cc1 ZINC000004618308 560735825 /nfs/dbraw/zinc/73/58/25/560735825.db2.gz TYKBJTYYCANUDP-UHFFFAOYSA-N -1 0 404.285 5.042 50 0 HKAARM O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000004618399 557573176 /nfs/dbraw/zinc/57/31/76/557573176.db2.gz NOJFOUZAYUHNHP-UHFFFAOYSA-N -1 0 406.290 5.025 50 0 HKAARM O=c1cc([O-])c2sc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c2[nH]1 ZINC000004620449 557573384 /nfs/dbraw/zinc/57/33/84/557573384.db2.gz COTDOTVXILERMI-UHFFFAOYSA-N -1 0 404.878 5.831 50 0 HKAARM COc1ccc(-c2cc(-c3cccs3)c3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1 ZINC000004625851 558890041 /nfs/dbraw/zinc/89/00/41/558890041.db2.gz YLRBEPAHJXRCIQ-UHFFFAOYSA-N -1 0 406.488 5.248 50 0 HKAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)C1 ZINC000004651435 557575912 /nfs/dbraw/zinc/57/59/12/557575912.db2.gz AWGIWJVRRDWYKM-MOPGFXCFSA-N -1 0 412.555 5.394 50 0 HKAARM CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)[C@H](C(=O)[O-])C1 ZINC000004651436 557575909 /nfs/dbraw/zinc/57/59/09/557575909.db2.gz AWGIWJVRRDWYKM-RTBURBONSA-N -1 0 412.555 5.394 50 0 HKAARM CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)[C@@H](C(=O)[O-])C1 ZINC000004651439 557575918 /nfs/dbraw/zinc/57/59/18/557575918.db2.gz AWGIWJVRRDWYKM-OALUTQOASA-N -1 0 412.555 5.394 50 0 HKAARM CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)[C@H](C(=O)[O-])C1 ZINC000004651440 557575921 /nfs/dbraw/zinc/57/59/21/557575921.db2.gz AWGIWJVRRDWYKM-RBUKOAKNSA-N -1 0 412.555 5.394 50 0 HKAARM CCC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cccs4)cc3c2C1 ZINC000004660842 557577678 /nfs/dbraw/zinc/57/76/78/557577678.db2.gz IUBFWYHEJLBMHC-CQSZACIVSA-N -1 0 403.569 5.836 50 0 HKAARM CCC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cccs4)cc3c2C1 ZINC000004660843 557577695 /nfs/dbraw/zinc/57/76/95/557577695.db2.gz IUBFWYHEJLBMHC-AWEZNQCLSA-N -1 0 403.569 5.836 50 0 HKAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc(C(C)(C)C)c1 ZINC000004660909 557577863 /nfs/dbraw/zinc/57/78/63/557577863.db2.gz LWIQALLGKPGYHM-UHFFFAOYSA-N -1 0 414.398 6.389 50 0 HKAARM O=C([O-])CCSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 ZINC000004663485 557578075 /nfs/dbraw/zinc/57/80/75/557578075.db2.gz OUQAXXPRAIWDJE-UHFFFAOYSA-N -1 0 400.503 5.773 50 0 HKAARM O=C([O-])c1ccc(/C=C2/Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000004670242 132281914 /nfs/dbraw/zinc/28/19/14/132281914.db2.gz QVQFMJIMZBGKPV-FYJGNVAPSA-N -1 0 405.450 5.204 50 0 HKAARM Cc1cccc(CN2c3ccccc3S/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000004670296 132281909 /nfs/dbraw/zinc/28/19/09/132281909.db2.gz QGAGLKJFBMNVSS-HMAPJEAMSA-N -1 0 401.487 5.373 50 0 HKAARM CCc1ccc(-c2nc(-c3ccc(Br)cc3)sc2CC(=O)[O-])cc1 ZINC000004672134 558885994 /nfs/dbraw/zinc/88/59/94/558885994.db2.gz FWOPCLMPTUDSQV-UHFFFAOYSA-N -1 0 402.313 5.429 50 0 HKAARM CC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC3CCCC3)cc2)cc1 ZINC000004689555 558899348 /nfs/dbraw/zinc/89/93/48/558899348.db2.gz UHYFGUJAWZKFQQ-QFIPXVFZSA-N -1 0 409.526 5.251 50 0 HKAARM CC(C)(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC3CCCC3)cc2)cc1 ZINC000004689558 558899354 /nfs/dbraw/zinc/89/93/54/558899354.db2.gz UHYFGUJAWZKFQQ-JOCHJYFZSA-N -1 0 409.526 5.251 50 0 HKAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004689747 558899549 /nfs/dbraw/zinc/89/95/49/558899549.db2.gz HKHUCUIQFSXRHZ-HSZRJFAPSA-N -1 0 401.506 5.597 50 0 HKAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004689751 558899583 /nfs/dbraw/zinc/89/95/83/558899583.db2.gz HKHUCUIQFSXRHZ-QHCPKHFHSA-N -1 0 401.506 5.597 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc2ccc(F)cc21 ZINC000004717608 558916024 /nfs/dbraw/zinc/91/60/24/558916024.db2.gz WNSZAPZTBVPKAW-UHFFFAOYSA-N -1 0 401.315 6.018 50 0 HKAARM CCCCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3cccs3)cc21 ZINC000004735748 559034731 /nfs/dbraw/zinc/03/47/31/559034731.db2.gz CFRXLZALYXIRTF-UHFFFAOYSA-N -1 0 421.540 5.259 50 0 HKAARM CCC(C)(C)[C@@H]1CCc2oc3cc(C)c([N-]S(=O)(=O)c4cccs4)cc3c2C1 ZINC000004735757 559034711 /nfs/dbraw/zinc/03/47/11/559034711.db2.gz JGRBKGITJSQXSZ-OAHLLOKOSA-N -1 0 417.596 6.145 50 0 HKAARM CCC(C)(C)[C@H]1CCc2oc3cc(C)c([N-]S(=O)(=O)c4cccs4)cc3c2C1 ZINC000004735758 559034770 /nfs/dbraw/zinc/03/47/70/559034770.db2.gz JGRBKGITJSQXSZ-HNNXBMFYSA-N -1 0 417.596 6.145 50 0 HKAARM O=C(N=c1nc(SCc2ccc(F)cc2)[n-]s1)OCc1ccc(Cl)cc1 ZINC000004744092 557591516 /nfs/dbraw/zinc/59/15/16/557591516.db2.gz IBTATCUJMXVMAA-UHFFFAOYSA-N -1 0 409.895 5.372 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000004756632 557594106 /nfs/dbraw/zinc/59/41/06/557594106.db2.gz XEANCBSVLUYXPW-UHFFFAOYSA-N -1 0 414.914 5.010 50 0 HKAARM CCCCCC[C@H](C)OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000004774362 571045216 /nfs/dbraw/zinc/04/52/16/571045216.db2.gz IFIKZQZRVSEJIM-QMMMGPOBSA-N -1 0 416.128 6.514 50 0 HKAARM CC(C)CCCCCCCCCCCCCCC(=O)OCCCS(=O)(=O)[O-] ZINC000004774884 568936803 /nfs/dbraw/zinc/93/68/03/568936803.db2.gz OMHOZHJJCBKBKZ-UHFFFAOYSA-N -1 0 406.629 5.925 50 0 HKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000004776083 559058473 /nfs/dbraw/zinc/05/84/73/559058473.db2.gz KYJDYFQNLGLHGQ-UHFFFAOYSA-N -1 0 403.385 5.174 50 0 HKAARM Cc1ccc([C@H]2CC(=O)c3cnc([N-]c4nc(C)c5cc(C)c(C)cc5n4)nc3C2)cc1 ZINC000004777054 557597197 /nfs/dbraw/zinc/59/71/97/557597197.db2.gz CGILGDFOAFWMQV-LJQANCHMSA-N -1 0 423.520 5.310 50 0 HKAARM Cc1ccc([C@H]2CC(=O)c3cnc([N-]c4nc(C)c5ccc(C)cc5n4)nc3C2)cc1 ZINC000004777118 557597131 /nfs/dbraw/zinc/59/71/31/557597131.db2.gz IHPPURCUCMQARZ-GOSISDBHSA-N -1 0 409.493 5.001 50 0 HKAARM Cc1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc(C)c5ccc(C)cc5n4)nc3C2)cc1 ZINC000004777119 557597100 /nfs/dbraw/zinc/59/71/00/557597100.db2.gz IHPPURCUCMQARZ-SFHVURJKSA-N -1 0 409.493 5.001 50 0 HKAARM Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@@H](C)C(=O)[O-])cc1 ZINC000004782791 557597372 /nfs/dbraw/zinc/59/73/72/557597372.db2.gz ZBAJNPCKUSKXJT-FYSMJZIKSA-N -1 0 410.473 5.162 50 0 HKAARM Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2[C@@H](C)C(=O)[O-])cc1 ZINC000004782797 557597340 /nfs/dbraw/zinc/59/73/40/557597340.db2.gz ZBAJNPCKUSKXJT-UPCLLVRISA-N -1 0 410.473 5.162 50 0 HKAARM Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@H](C)C(=O)[O-])cc1 ZINC000004782801 557597332 /nfs/dbraw/zinc/59/73/32/557597332.db2.gz ZBAJNPCKUSKXJT-GYCJOSAFSA-N -1 0 410.473 5.162 50 0 HKAARM Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2[C@H](C)C(=O)[O-])cc1 ZINC000004782807 557597368 /nfs/dbraw/zinc/59/73/68/557597368.db2.gz ZBAJNPCKUSKXJT-VOIUYBSRSA-N -1 0 410.473 5.162 50 0 HKAARM Cc1cccc(C)c1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000004796070 571045261 /nfs/dbraw/zinc/04/52/61/571045261.db2.gz QRRQIEXXJCTWKE-UHFFFAOYSA-N -1 0 407.080 5.868 50 0 HKAARM O=C([O-])COc1ccc(NN=C2C=Cc3cc(Br)ccc3C2=O)cc1 ZINC000004798867 569356899 /nfs/dbraw/zinc/35/68/99/569356899.db2.gz QCURKLGNSOCWSK-UHFFFAOYSA-N -1 0 401.216 5.187 50 0 aggregator HKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2C(C)C)cc1 ZINC000004809373 557599755 /nfs/dbraw/zinc/59/97/55/557599755.db2.gz ZROYOGDCXUTSFM-UHFFFAOYSA-N -1 0 408.523 5.172 50 0 HKAARM Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)[O-])cc1 ZINC000004814141 559076007 /nfs/dbraw/zinc/07/60/07/559076007.db2.gz FEVDLZJUSLWDNE-VWLOTQADSA-N -1 0 410.473 5.163 50 0 HKAARM Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)[O-])cc1 ZINC000004814142 559075989 /nfs/dbraw/zinc/07/59/89/559075989.db2.gz FEVDLZJUSLWDNE-RUZDIDTESA-N -1 0 410.473 5.163 50 0 HKAARM O=C([O-])c1c(-c2cccs2)csc1NC(=O)c1ccc(Br)cc1 ZINC000004827357 557603652 /nfs/dbraw/zinc/60/36/52/557603652.db2.gz UVERFQPBDQUMMX-UHFFFAOYSA-N -1 0 408.298 5.190 50 0 HKAARM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000004828783 569356911 /nfs/dbraw/zinc/35/69/11/569356911.db2.gz KFMPHWBPNODCTA-UHFFFAOYSA-N -1 0 404.624 5.466 50 0 HKAARM Cc1ccc(C)c(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c1 ZINC000004829224 568938177 /nfs/dbraw/zinc/93/81/77/568938177.db2.gz QAYQLVZCXROGBC-UHFFFAOYSA-N -1 0 407.080 5.868 50 0 HKAARM CC(C)C[C@H](Nc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000004862811 559193269 /nfs/dbraw/zinc/19/32/69/559193269.db2.gz KKNWCDIKZXRZSK-KRWDZBQOSA-N -1 0 409.555 5.072 50 0 HKAARM Cc1cccc(Cn2c3cc(C(=O)[O-])ccc3nc2SCc2ccc(F)cc2)c1 ZINC000004912372 559203849 /nfs/dbraw/zinc/20/38/49/559203849.db2.gz NUWOAIVNYPAUFE-UHFFFAOYSA-N -1 0 406.482 5.523 50 0 HKAARM CCCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1cccc(Cl)c1 ZINC000004920496 559207245 /nfs/dbraw/zinc/20/72/45/559207245.db2.gz FDLKWJXVWVEKJD-UHFFFAOYSA-N -1 0 405.281 5.159 50 0 HKAARM CCCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000004920584 559207412 /nfs/dbraw/zinc/20/74/12/559207412.db2.gz XDOSMCUESUCXET-UHFFFAOYSA-N -1 0 412.917 5.629 50 0 HKAARM Cc1cc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000004957737 557617374 /nfs/dbraw/zinc/61/73/74/557617374.db2.gz HKBXOJGFYCXKJH-QHCPKHFHSA-N -1 0 406.489 5.513 50 0 HKAARM Cc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000004957739 557617360 /nfs/dbraw/zinc/61/73/60/557617360.db2.gz HKBXOJGFYCXKJH-HSZRJFAPSA-N -1 0 406.489 5.513 50 0 HKAARM Cc1ccc(-c2cc(-c3ccccc3)nc(-n3[n-]c(-c4ccccc4)cc3=O)n2)cc1 ZINC000004957742 559216245 /nfs/dbraw/zinc/21/62/45/559216245.db2.gz RIWNFUVGNXZONP-UHFFFAOYSA-N -1 0 404.473 5.265 50 0 HKAARM COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(C)ccc4o3)c2)cc1OC ZINC000004988514 559224144 /nfs/dbraw/zinc/22/41/44/559224144.db2.gz DEDLKPXVBYMVIA-UHFFFAOYSA-N -1 0 418.449 5.087 50 0 HKAARM c1ccc(-c2nnc([N-]C(c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1 ZINC000005003392 559226731 /nfs/dbraw/zinc/22/67/31/559226731.db2.gz FSQGEVYLLGIEMV-UHFFFAOYSA-N -1 0 403.485 6.141 50 0 HKAARM O=C([O-])c1ccc(Cn2cnc3scc(-c4ccc5ccccc5c4)c3c2=O)cc1 ZINC000005010009 559227858 /nfs/dbraw/zinc/22/78/58/559227858.db2.gz BWSFPVSTOGEZJN-UHFFFAOYSA-N -1 0 412.470 5.025 50 0 HKAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000005014023 558781234 /nfs/dbraw/zinc/78/12/34/558781234.db2.gz FLYVUEHAHIYDKI-QFIPXVFZSA-N -1 0 406.869 5.403 50 0 HKAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000005014024 558781197 /nfs/dbraw/zinc/78/11/97/558781197.db2.gz FLYVUEHAHIYDKI-JOCHJYFZSA-N -1 0 406.869 5.403 50 0 HKAARM Cc1ccc(-c2onc3ccc(-c4cc(C(=O)[O-])c5cc(Cl)ccc5n4)cc32)cc1 ZINC000005014241 559228353 /nfs/dbraw/zinc/22/83/53/559228353.db2.gz OBINEKASHSVJJI-UHFFFAOYSA-N -1 0 414.848 6.370 50 0 HKAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000005017228 559228571 /nfs/dbraw/zinc/22/85/71/559228571.db2.gz GMCLXLYNHZZDFU-UHFFFAOYSA-N -1 0 412.559 5.040 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(C)cc(C)c2)cc1 ZINC000005021688 559229296 /nfs/dbraw/zinc/22/92/96/559229296.db2.gz PSABISUQIHWTTP-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc3ccccc3c1)oc1ccccc12 ZINC000005090910 557634626 /nfs/dbraw/zinc/63/46/26/557634626.db2.gz DZZBIJSRKGOXDS-UHFFFAOYSA-N -1 0 403.459 5.549 50 0 HKAARM CCc1ccc(-n2c3nc(SCC(=O)C(C)(C)C)[n-]c(=O)c3sc2=S)cc1 ZINC000005091888 559243935 /nfs/dbraw/zinc/24/39/35/559243935.db2.gz XXWJKXPFWLDRJR-UHFFFAOYSA-N -1 0 419.597 5.187 50 0 HKAARM CSc1cccc2sc([N-]c3nc4ccc5nc(C)sc5c4s3)nc21 ZINC000005122742 559248030 /nfs/dbraw/zinc/24/80/30/559248030.db2.gz PCDGUYGLHUOTGE-UHFFFAOYSA-N -1 0 400.579 6.290 50 0 HKAARM CSc1ccc2nc([N-]c3nc4ccc5nc(C)sc5c4s3)sc2c1 ZINC000005122743 559247980 /nfs/dbraw/zinc/24/79/80/559247980.db2.gz GOUIUERENWNYTO-UHFFFAOYSA-N -1 0 400.579 6.290 50 0 HKAARM COc1cc2nc([N-]c3nc(-c4ccccc4)c(C(C)=O)s3)sc2cc1OC ZINC000005122769 559247965 /nfs/dbraw/zinc/24/79/65/559247965.db2.gz CJBMFISNRYTHFP-UHFFFAOYSA-N -1 0 411.508 5.383 50 0 HKAARM CSc1cccc2sc([N-]c3nc4ccc5sc(C)nc5c4s3)nc21 ZINC000005122833 559248026 /nfs/dbraw/zinc/24/80/26/559248026.db2.gz NYTCCPPPHQACEC-UHFFFAOYSA-N -1 0 400.579 6.290 50 0 HKAARM CSc1ccc2nc([N-]c3nc4ccc5sc(C)nc5c4s3)sc2c1 ZINC000005122834 559247947 /nfs/dbraw/zinc/24/79/47/559247947.db2.gz JCVXOGGNLIMJKH-UHFFFAOYSA-N -1 0 400.579 6.290 50 0 HKAARM O=C([O-])c1cc(/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc21 ZINC000005141759 559251723 /nfs/dbraw/zinc/25/17/23/559251723.db2.gz WGDIKDBPJDIOHG-VOTSOKGWSA-N -1 0 410.256 6.670 50 0 HKAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000005180297 559289339 /nfs/dbraw/zinc/28/93/39/559289339.db2.gz PBDBDZYWKWIPFK-UHFFFAOYSA-N -1 0 412.559 5.040 50 0 HKAARM COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccccc2)cc1O ZINC000005190694 559291346 /nfs/dbraw/zinc/29/13/46/559291346.db2.gz HEPRQORDROPEAR-UHFFFAOYSA-N -1 0 402.450 5.471 50 0 HKAARM Cc1nc2c(-c3ccccc3)c(Cc3ccccc3)[n-]n2c(=O)c1Cc1ccccc1 ZINC000005209715 560538851 /nfs/dbraw/zinc/53/88/51/560538851.db2.gz COYCLFLAEIENGE-UHFFFAOYSA-N -1 0 405.501 5.180 50 0 HKAARM Cc1ccc2nc(-c3ccc(-c4ccccc4Br)o3)cc(C(=O)[O-])c2c1 ZINC000005234067 560547939 /nfs/dbraw/zinc/54/79/39/560547939.db2.gz XSDOTJFDBJJPIQ-UHFFFAOYSA-N -1 0 408.251 5.931 50 0 HKAARM Cc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)cc1 ZINC000005234069 560547885 /nfs/dbraw/zinc/54/78/85/560547885.db2.gz PMWWKPPZZHVHDA-UHFFFAOYSA-N -1 0 408.251 5.931 50 0 HKAARM O=C([O-])c1cc(/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc21 ZINC000005234286 560548001 /nfs/dbraw/zinc/54/80/01/560548001.db2.gz YATQJLYJFMNYJX-VOTSOKGWSA-N -1 0 410.256 6.670 50 0 HKAARM Cc1oc2c(cc(NS(=O)(=O)c3ccc(C)cc3C)c3ccccc23)c1C(=O)[O-] ZINC000005234929 560548261 /nfs/dbraw/zinc/54/82/61/560548261.db2.gz HHFRQSJMXZLJJV-UHFFFAOYSA-N -1 0 409.463 5.010 50 0 HKAARM CCCCc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4)o3)cc(C(=O)[O-])c2c1 ZINC000005237261 560548550 /nfs/dbraw/zinc/54/85/50/560548550.db2.gz QEQLZEWXLJFYDO-UHFFFAOYSA-N -1 0 405.881 6.856 50 0 HKAARM CCc1cccc2c(C(=O)[O-])cc(-c3ccc(-c4cc(Cl)cc(Cl)c4)o3)nc12 ZINC000005237262 560548529 /nfs/dbraw/zinc/54/85/29/560548529.db2.gz WSCQJVQWYHATKA-UHFFFAOYSA-N -1 0 412.272 6.729 50 0 HKAARM CCc1cccc2c(C(=O)[O-])cc(-c3ccc(-c4cccc(Cl)c4Cl)o3)nc12 ZINC000005237263 560548530 /nfs/dbraw/zinc/54/85/30/560548530.db2.gz HRGBXNQQOISBGV-UHFFFAOYSA-N -1 0 412.272 6.729 50 0 HKAARM COc1ccc([N-]S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(OC)c1 ZINC000005259932 560553728 /nfs/dbraw/zinc/55/37/28/560553728.db2.gz GKOQFNKXIWZKFY-UHFFFAOYSA-N -1 0 419.587 5.875 50 0 HKAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2C(=O)[O-])cc1OC ZINC000005363046 560626120 /nfs/dbraw/zinc/62/61/20/560626120.db2.gz GXNJVXVHGGTJCQ-QFIPXVFZSA-N -1 0 416.477 5.066 50 0 HKAARM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2C(=O)[O-])cc1OC ZINC000005363048 560626118 /nfs/dbraw/zinc/62/61/18/560626118.db2.gz GXNJVXVHGGTJCQ-JOCHJYFZSA-N -1 0 416.477 5.066 50 0 HKAARM CSc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc1 ZINC000005441765 557653851 /nfs/dbraw/zinc/65/38/51/557653851.db2.gz NKAQKAONRBOIPW-HXUWFJFHSA-N -1 0 409.532 5.734 50 0 HKAARM COc1ccc(-c2cc(-c3cccs3)nc3sc4c([nH]c(=O)cc4[O-])c32)cc1 ZINC000005489890 560597991 /nfs/dbraw/zinc/59/79/91/560597991.db2.gz SZELAHKXZXVMPC-UHFFFAOYSA-N -1 0 406.488 5.660 50 0 HKAARM COc1ccccc1-c1cc(-c2cccs2)nc2sc3c([nH]c(=O)cc3[O-])c21 ZINC000005490056 560598013 /nfs/dbraw/zinc/59/80/13/560598013.db2.gz OWMCOVUMJMLXFT-UHFFFAOYSA-N -1 0 406.488 5.660 50 0 HKAARM CC(C)(C)[C@H]1CCc2c(nc3sc4c([nH]c(=O)cc4[O-])c3c2-c2cccs2)C1 ZINC000005490133 560597956 /nfs/dbraw/zinc/59/79/56/560597956.db2.gz JEXFTSJNFAUDBW-NSHDSACASA-N -1 0 410.564 5.723 50 0 HKAARM CC(C)(C)[C@@H]1CCc2c(nc3sc4c([nH]c(=O)cc4[O-])c3c2-c2cccs2)C1 ZINC000005490195 560626707 /nfs/dbraw/zinc/62/67/07/560626707.db2.gz JEXFTSJNFAUDBW-LLVKDONJSA-N -1 0 410.564 5.723 50 0 HKAARM CCCCCCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000005502466 557658662 /nfs/dbraw/zinc/65/86/62/557658662.db2.gz IVPWWDZIWKJNFB-UHFFFAOYSA-N -1 0 411.445 6.072 50 0 HKAARM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1cccs1)C[C@@H](C(C)(C)C)CC3 ZINC000005516175 560604150 /nfs/dbraw/zinc/60/41/50/560604150.db2.gz AQWZRHZZEPIIAZ-AWEZNQCLSA-N -1 0 403.569 5.755 50 0 HKAARM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1cccs1)C[C@H](C(C)(C)C)CC3 ZINC000005516177 560604192 /nfs/dbraw/zinc/60/41/92/560604192.db2.gz AQWZRHZZEPIIAZ-CQSZACIVSA-N -1 0 403.569 5.755 50 0 HKAARM O=C([O-])c1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000005517102 557650798 /nfs/dbraw/zinc/65/07/98/557650798.db2.gz ATZJFCRJTQDPHT-UHFFFAOYSA-N -1 0 412.470 5.332 50 0 HKAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccccc1Br ZINC000005522523 560605274 /nfs/dbraw/zinc/60/52/74/560605274.db2.gz ZUPAUUODTPDZTH-UHFFFAOYSA-N -1 0 401.134 5.072 50 0 HKAARM Cc1cc2sc(NC(=O)[C@@H](C(=O)[O-])C34CC5CC(CC(C5)C3)C4)nc2cc1Cl ZINC000005524371 560604799 /nfs/dbraw/zinc/60/47/99/560604799.db2.gz KQNZRVLRXBPSDI-VHLVZMHDSA-N -1 0 418.946 5.114 50 0 HKAARM Cc1cc2sc(NC(=O)[C@H](C(=O)[O-])C34CC5CC(CC(C5)C3)C4)nc2cc1Cl ZINC000005524373 560604815 /nfs/dbraw/zinc/60/48/15/560604815.db2.gz KQNZRVLRXBPSDI-ZPQKVLAESA-N -1 0 418.946 5.114 50 0 HKAARM O=c1cc(OCc2c(Cl)cccc2Cl)cc2oc(-c3ccccc3)cc([O-])c1-2 ZINC000005554614 560608951 /nfs/dbraw/zinc/60/89/51/560608951.db2.gz UBHKFFORZLPZED-UHFFFAOYSA-N -1 0 413.256 6.051 50 0 biogenic HKAARM CCCCCCc1cc2c(cc1OCc1ccc(C(=O)[O-])o1)oc(=O)c1c2CCCC1 ZINC000005555166 560609001 /nfs/dbraw/zinc/60/90/01/560609001.db2.gz VDFPTHMEJGOVST-UHFFFAOYSA-N -1 0 424.493 5.665 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3cc(C(C)C)ccc3C)n2)c1[O-] ZINC000005555498 560609045 /nfs/dbraw/zinc/60/90/45/560609045.db2.gz BAYMRMHYZUHBJF-UHFFFAOYSA-N -1 0 400.478 6.235 50 0 HKAARM CCC(C)(C)c1ccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)cc1 ZINC000005557168 560613255 /nfs/dbraw/zinc/61/32/55/560613255.db2.gz KLAXSACKZSPKNZ-UHFFFAOYSA-N -1 0 414.505 6.491 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3cccc(OC(C)C)c3)n2)c1[O-] ZINC000005561288 560617892 /nfs/dbraw/zinc/61/78/92/560617892.db2.gz DZJRSYCZVBPCBR-UHFFFAOYSA-N -1 0 402.450 5.591 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)c(C)c3C)n2)c1[O-] ZINC000005561963 560618365 /nfs/dbraw/zinc/61/83/65/560618365.db2.gz KWXDRWWYSJAPFC-UHFFFAOYSA-N -1 0 406.869 6.074 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccccc3OC(C)C)n2)c1[O-] ZINC000005562538 560618620 /nfs/dbraw/zinc/61/86/20/560618620.db2.gz LBIUQNWQIHAUJQ-UHFFFAOYSA-N -1 0 402.450 5.591 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)c(Cl)c3)n2)c1[O-] ZINC000005573303 560624066 /nfs/dbraw/zinc/62/40/66/560624066.db2.gz LHULTKPNXLKESJ-UHFFFAOYSA-N -1 0 413.260 6.110 50 0 HKAARM CCc1cc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)ccc1Cl ZINC000005576938 560624746 /nfs/dbraw/zinc/62/47/46/560624746.db2.gz VSCPCAFLKVCHNY-UHFFFAOYSA-N -1 0 406.869 6.019 50 0 HKAARM Cc1ccc(-n2c(SCC(=O)[O-])nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000005588069 560626845 /nfs/dbraw/zinc/62/68/45/560626845.db2.gz OTJOTZAVJDADGQ-UHFFFAOYSA-N -1 0 400.503 5.691 50 0 HKAARM O=C([O-])c1cccc(N2C(=S)N=C(Nc3ccc(Cl)cc3)C23CCCCC3)c1 ZINC000005589037 560627088 /nfs/dbraw/zinc/62/70/88/560627088.db2.gz GDQJRPQQGLIEDW-UHFFFAOYSA-N -1 0 413.930 5.166 50 0 HKAARM O=C([O-])c1ccc(N2C(=S)N=C(Nc3ccc(Cl)cc3)C23CCCCC3)cc1 ZINC000005589105 560627123 /nfs/dbraw/zinc/62/71/23/560627123.db2.gz ZRZUQTGSFZAWFC-UHFFFAOYSA-N -1 0 413.930 5.166 50 0 HKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)o1 ZINC000005612101 560630366 /nfs/dbraw/zinc/63/03/66/560630366.db2.gz REBZSKNSOWQRKA-JOCHJYFZSA-N -1 0 405.519 6.135 50 0 biogenic HKAARM CC(C)C[C@@H](Nc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000005625050 560633648 /nfs/dbraw/zinc/63/36/48/560633648.db2.gz KKNWCDIKZXRZSK-QGZVFWFLSA-N -1 0 409.555 5.072 50 0 HKAARM CC(C)OC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000005633316 560635084 /nfs/dbraw/zinc/63/50/84/560635084.db2.gz WPSRTNAHEXUSFM-BUHFOSPRSA-N -1 0 421.559 5.112 50 0 HKAARM O=c1c2c(nc3c(-c4cccc5ccccc54)c(Cc4ccccc4)[n-]n31)CCCC2 ZINC000005650026 557666678 /nfs/dbraw/zinc/66/66/78/557666678.db2.gz RLPSIIVMLMRVQG-UHFFFAOYSA-N -1 0 405.501 5.312 50 0 HKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)cc2C)c1 ZINC000005652512 560636618 /nfs/dbraw/zinc/63/66/18/560636618.db2.gz PRTJNBIJIXWTEQ-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000005670928 560773017 /nfs/dbraw/zinc/77/30/17/560773017.db2.gz DFAJOEYNKUODAE-UHFFFAOYSA-N -1 0 402.064 5.851 50 0 HKAARM Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccc(O)c(Cl)c1 ZINC000005677995 557668376 /nfs/dbraw/zinc/66/83/76/557668376.db2.gz IVHJEXQJXNUPEC-UHFFFAOYSA-N -1 0 400.909 6.805 50 0 HKAARM O=C([O-])c1ccc2nc(-c3ccc(Br)cc3)c(-c3ccccc3)nc2c1 ZINC000005685048 558499197 /nfs/dbraw/zinc/49/91/97/558499197.db2.gz MIZLEPSXPUORTE-UHFFFAOYSA-N -1 0 405.251 5.425 50 0 HKAARM O=C([O-])/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2[nH]1 ZINC000005695055 560786132 /nfs/dbraw/zinc/78/61/32/560786132.db2.gz LMIINLDXYQEAOQ-LGMDPLHJSA-N -1 0 412.474 5.102 50 0 HKAARM O=C([O-])c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCC5)o2)cc1 ZINC000005728926 557671321 /nfs/dbraw/zinc/67/13/21/557671321.db2.gz RMFMKWOEMDKMPQ-UHFFFAOYSA-N -1 0 406.463 5.291 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4cc(C)ccc4C(=O)[O-])cc3)sc2c1 ZINC000005750348 557672983 /nfs/dbraw/zinc/67/29/83/557672983.db2.gz HPXKTTVKSDHAKA-UHFFFAOYSA-N -1 0 402.475 5.531 50 0 HKAARM O=c1c2c(nc3[n-]nc(SCc4ccccc4)n31)-c1ccccc1CC21CCCC1 ZINC000005769133 568455156 /nfs/dbraw/zinc/45/51/56/568455156.db2.gz LGUURCQMUABECD-UHFFFAOYSA-N -1 0 414.534 5.157 50 0 HKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000005783403 568720058 /nfs/dbraw/zinc/72/00/58/568720058.db2.gz DFKDXSLPCQWBIQ-OAQYLSRUSA-N -1 0 406.507 5.078 50 0 biogenic HKAARM COc1ccc(-n2c(CCn3c4ccccc4c4ccccc43)n[n-]c2=S)cc1 ZINC000005845253 557677223 /nfs/dbraw/zinc/67/72/23/557677223.db2.gz MRZTVNROKKXHRW-UHFFFAOYSA-N -1 0 400.507 5.289 50 0 HKAARM CC(C)=CCc1c([O-])c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O ZINC000005854389 291286003 /nfs/dbraw/zinc/28/60/03/291286003.db2.gz UCHYSPNEUSDFQR-UHFFFAOYSA-N -1 0 406.478 5.594 50 0 biogenic,in-vitro HKAARM CCCCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1 ZINC000005860699 557677736 /nfs/dbraw/zinc/67/77/36/557677736.db2.gz GUVJWOISZDOXME-UHFFFAOYSA-N -1 0 402.343 5.672 50 0 HKAARM O=C([O-])COc1ccccc1/C=C/c1ccc2cccc(OCc3ccccc3)c2n1 ZINC000005900532 557679991 /nfs/dbraw/zinc/67/99/91/557679991.db2.gz YJUNAUKBNYBNBC-FYWRMAATSA-N -1 0 411.457 5.448 50 0 HKAARM O=C(c1cnc2c(c1)c(C1CCCC1)nn2-c1ccccc1)c1cc(F)ccc1[O-] ZINC000005938827 568830656 /nfs/dbraw/zinc/83/06/56/568830656.db2.gz GCNSPSSGLJRSBT-UHFFFAOYSA-N -1 0 401.441 5.154 50 0 HKAARM CCCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000005952013 568832039 /nfs/dbraw/zinc/83/20/39/568832039.db2.gz VFUBGCNNKLCPEM-UHFFFAOYSA-N -1 0 417.527 5.083 50 0 HKAARM O=C([O-])[C@H](CSc1ccccc1)CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000006116142 557687230 /nfs/dbraw/zinc/68/72/30/557687230.db2.gz JXAGDPXECXQWBC-IBGZPJMESA-N -1 0 410.922 6.073 50 0 in-vitro HKAARM Cc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000006142873 569014362 /nfs/dbraw/zinc/01/43/62/569014362.db2.gz SICONOSZVPKVEI-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)ccc1Cl ZINC000006144272 569014457 /nfs/dbraw/zinc/01/44/57/569014457.db2.gz IMTIZQFUIHJRHA-UHFFFAOYSA-N -1 0 424.334 5.170 50 0 HKAARM CC(C)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146054 569014690 /nfs/dbraw/zinc/01/46/90/569014690.db2.gz KAMVUNUPROBZOH-UHFFFAOYSA-N -1 0 412.486 5.002 50 0 HKAARM O=C(Nc1cccc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147276 569014639 /nfs/dbraw/zinc/01/46/39/569014639.db2.gz ZUKIICUGENUGBQ-UHFFFAOYSA-N -1 0 420.465 5.032 50 0 HKAARM O=C(Nc1ccc2ccccc2c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147285 569014635 /nfs/dbraw/zinc/01/46/35/569014635.db2.gz ZDFOLQPVWGTXMS-UHFFFAOYSA-N -1 0 420.465 5.032 50 0 HKAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(=O)OC(C)C)c1-c1ccc(C(C)C)cc1 ZINC000006184220 569029018 /nfs/dbraw/zinc/02/90/18/569029018.db2.gz QMSMISYNVPRGBD-UHFFFAOYSA-N -1 0 417.527 5.215 50 0 HKAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000006184241 569029025 /nfs/dbraw/zinc/02/90/25/569029025.db2.gz JASAPVDSVRWXRV-UHFFFAOYSA-N -1 0 417.527 5.001 50 0 HKAARM O=C([O-])[C@@H](Sc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1ccccc1 ZINC000006242457 569034563 /nfs/dbraw/zinc/03/45/63/569034563.db2.gz QVDFIHKYOWALFD-FQEVSTJZSA-N -1 0 406.894 5.868 50 0 HKAARM O=C([O-])[C@H](Sc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1ccccc1 ZINC000006242461 569034568 /nfs/dbraw/zinc/03/45/68/569034568.db2.gz QVDFIHKYOWALFD-HXUWFJFHSA-N -1 0 406.894 5.868 50 0 HKAARM Cc1cc(C(F)F)nc2sc3c([n-]c(-c4ccccc4OC(F)F)nc3=O)c21 ZINC000006275829 569036951 /nfs/dbraw/zinc/03/69/51/569036951.db2.gz NDRNMKXGWNJHRW-UHFFFAOYSA-N -1 0 409.364 5.047 50 0 HKAARM CCn1c2ccc(C(=O)[O-])cc2nc1/C(Cl)=C/c1ccc(Br)cc1 ZINC000006314083 560630567 /nfs/dbraw/zinc/63/05/67/560630567.db2.gz JWMFOZJKOPRBCU-ZROIWOOFSA-N -1 0 405.679 5.254 50 0 HKAARM CCC(C)(C)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000006316672 569040336 /nfs/dbraw/zinc/04/03/36/569040336.db2.gz VCYFWAUHBRBFBO-UHFFFAOYSA-N -1 0 401.553 6.029 50 0 HKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)oc1ccccc12 ZINC000006316924 560630554 /nfs/dbraw/zinc/63/05/54/560630554.db2.gz BGTVWAIALUPOGX-UHFFFAOYSA-N -1 0 409.507 5.629 50 0 HKAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1cccc(Br)c1 ZINC000006328363 568967743 /nfs/dbraw/zinc/96/77/43/568967743.db2.gz PVEHVKQWEJITJD-UHFFFAOYSA-N -1 0 404.285 5.042 50 0 HKAARM O=C(Nc1nnc(C2CC2)s1)c1oc2ccccc2c1CSC1CCCCC1 ZINC000006345082 569045226 /nfs/dbraw/zinc/04/52/26/569045226.db2.gz DOPYHMYMMLUCQA-UHFFFAOYSA-N -1 0 413.568 5.980 50 0 HKAARM [O-]c1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc(Oc4ccccc4)cc3)nc12 ZINC000006346436 560630162 /nfs/dbraw/zinc/63/01/62/560630162.db2.gz YJSSKZYRGBQHRF-RMKNXTFCSA-N -1 0 408.284 7.210 50 0 HKAARM CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C(C)C)c1 ZINC000006352204 558595546 /nfs/dbraw/zinc/59/55/46/558595546.db2.gz YWDQAACORVYMSF-UHFFFAOYSA-N -1 0 403.544 5.556 50 0 HKAARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000006357000 557700096 /nfs/dbraw/zinc/70/00/96/557700096.db2.gz UVTGFMKBPVLATL-CBOBAEOPSA-N -1 0 418.574 5.011 50 0 HKAARM COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCc1ccccc1 ZINC000006430627 560631252 /nfs/dbraw/zinc/63/12/52/560631252.db2.gz KMBVCYIKKVCYDL-ACCUITESSA-N -1 0 411.457 5.691 50 0 HKAARM O=C([O-])Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)cc1 ZINC000006444659 569052898 /nfs/dbraw/zinc/05/28/98/569052898.db2.gz ODHCGEUFYVVMDN-UHFFFAOYSA-N -1 0 412.820 5.853 50 0 HKAARM CCCCc1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc4ccccc43)n2)cc1 ZINC000006502315 569061629 /nfs/dbraw/zinc/06/16/29/569061629.db2.gz ZWMKCTKEARZQNE-UHFFFAOYSA-N -1 0 419.550 5.228 50 0 HKAARM O=S(=O)([N-]c1nc2c(ccc3ccccc23)s1)c1ccccc1C(F)(F)F ZINC000006509953 569061995 /nfs/dbraw/zinc/06/19/95/569061995.db2.gz JPLFUBNMEISCNK-UHFFFAOYSA-N -1 0 408.426 5.269 50 0 HKAARM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000006510579 569062081 /nfs/dbraw/zinc/06/20/81/569062081.db2.gz ZHJVTWMWADGBPY-UHFFFAOYSA-N -1 0 402.633 5.049 50 0 HKAARM O=C([O-])CSC1=NC(=Nc2ccc(Cl)cc2)C2(CCCC2)N1c1ccccc1 ZINC000006548569 569064819 /nfs/dbraw/zinc/06/48/19/569064819.db2.gz AVPRZRODPWBIDR-UHFFFAOYSA-N -1 0 413.930 5.377 50 0 HKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(Cl)c2Cl)C1 ZINC000006561194 557708194 /nfs/dbraw/zinc/70/81/94/557708194.db2.gz SVTUABWBKFBUHK-GXDHUFHOSA-N -1 0 413.304 5.616 50 0 HKAARM CCCCCC(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000006655707 569082875 /nfs/dbraw/zinc/08/28/75/569082875.db2.gz BOTFGUGEFRRPDV-UHFFFAOYSA-N -1 0 403.276 5.482 50 0 HKAARM COc1ccc(-c2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2-c2ccccc2)cc1OC ZINC000006720790 569098963 /nfs/dbraw/zinc/09/89/63/569098963.db2.gz ISUANZFFYUKITQ-UHFFFAOYSA-N -1 0 400.434 5.126 50 0 HKAARM Cc1ccc2c(c1)[C@H](SCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1O2 ZINC000006720837 569098902 /nfs/dbraw/zinc/09/89/02/569098902.db2.gz CQJXWRBBXYHNPO-JOCHJYFZSA-N -1 0 405.475 5.260 50 0 HKAARM Cc1ccc2c(c1)[C@@H](SCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1O2 ZINC000006720838 568458063 /nfs/dbraw/zinc/45/80/63/568458063.db2.gz CQJXWRBBXYHNPO-QFIPXVFZSA-N -1 0 405.475 5.260 50 0 HKAARM O=C([O-])c1ccccc1NC(=O)CSC1c2ccccc2Sc2ccccc21 ZINC000006720839 569098924 /nfs/dbraw/zinc/09/89/24/569098924.db2.gz RAJKBUQTFKWULM-UHFFFAOYSA-N -1 0 407.516 5.311 50 0 HKAARM CCc1cccc2c(C(c3c[nH]c4c3cccc4CC)c3ccc(C(=O)[O-])cc3)c[nH]c21 ZINC000006721033 557717307 /nfs/dbraw/zinc/71/73/07/557717307.db2.gz XNBIFEXSOHMMAO-UHFFFAOYSA-N -1 0 422.528 6.652 50 0 HKAARM Cc1ccc(-c2[nH]nc3nc(-c4ccccc4Br)cc(C(=O)[O-])c32)cc1 ZINC000006748981 569108839 /nfs/dbraw/zinc/10/88/39/569108839.db2.gz SMOJIHNXEKMZIX-UHFFFAOYSA-N -1 0 408.255 5.061 50 0 HKAARM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2cc(C)ccc2C)cc1O ZINC000006755268 569111989 /nfs/dbraw/zinc/11/19/89/569111989.db2.gz MFHRHJWFXBXGFB-UHFFFAOYSA-N -1 0 415.489 6.227 50 0 HKAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000006758435 569113114 /nfs/dbraw/zinc/11/31/14/569113114.db2.gz PPFHSZBBHMRHIV-CCEZHUSRSA-N -1 0 421.559 5.114 50 0 HKAARM Cc1nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[n-]n2c(=O)c1Cc1ccccc1 ZINC000006766150 558781847 /nfs/dbraw/zinc/78/18/47/558781847.db2.gz RNWYLBBGRTVFSN-UHFFFAOYSA-N -1 0 417.818 5.261 50 0 HKAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000006779246 569119317 /nfs/dbraw/zinc/11/93/17/569119317.db2.gz CEEJHLFNAVRMMU-SFTDATJTSA-N -1 0 409.844 5.045 50 0 HKAARM O=C([O-])c1ccc(CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000006829091 557726018 /nfs/dbraw/zinc/72/60/18/557726018.db2.gz WMRQSXNCPOTJRW-UHFFFAOYSA-N -1 0 412.923 6.002 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Nc3cc(Cl)cc(Cl)c3)n2)c1[O-] ZINC000006848436 569153647 /nfs/dbraw/zinc/15/36/47/569153647.db2.gz KLGCORXYRMAGTA-UHFFFAOYSA-N -1 0 412.276 6.061 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)c1[O-] ZINC000006848440 569153639 /nfs/dbraw/zinc/15/36/39/569153639.db2.gz HBVXKXXAXLVDTR-UHFFFAOYSA-N -1 0 412.276 6.061 50 0 HKAARM CCOc1cc(NC(=O)c2ccc(C(C)C)cc2C(C)C)c(C(=O)[O-])cc1OCC ZINC000006850856 569154480 /nfs/dbraw/zinc/15/44/80/569154480.db2.gz ISFFOVJCYXTHGU-UHFFFAOYSA-N -1 0 413.514 5.681 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2cc(Br)ccc21 ZINC000006883568 569168500 /nfs/dbraw/zinc/16/85/00/569168500.db2.gz QTZDXBGXBFYCKL-UHFFFAOYSA-N -1 0 407.061 5.125 50 0 HKAARM O=C([O-])c1cc(-c2ccccc2Br)nc2cc(Br)ccc21 ZINC000006884700 569168462 /nfs/dbraw/zinc/16/84/62/569168462.db2.gz RUZIGMSHWBDOAS-UHFFFAOYSA-N -1 0 407.061 5.125 50 0 HKAARM CC(C)(C)c1cc2cc(-c3nc4cc(C(=O)[O-])ccc4[nH]3)c(=O)oc2c(C(C)(C)C)c1 ZINC000006917830 569181296 /nfs/dbraw/zinc/18/12/96/569181296.db2.gz XGLBVLDNUWALFQ-UHFFFAOYSA-N -1 0 418.493 5.630 50 0 HKAARM CCOc1ccc([C@@H](Nc2ccc(C)cc2)[P@@](=O)([O-])Oc2cccc(O)c2)cc1 ZINC000006996182 569197132 /nfs/dbraw/zinc/19/71/32/569197132.db2.gz VKXGHHBRKAJZBP-QFIPXVFZSA-N -1 0 413.410 5.474 50 0 HKAARM CCOc1ccc([C@H](Nc2ccc(C)cc2)[P@@](=O)([O-])Oc2cccc(O)c2)cc1 ZINC000006996184 569197124 /nfs/dbraw/zinc/19/71/24/569197124.db2.gz VKXGHHBRKAJZBP-JOCHJYFZSA-N -1 0 413.410 5.474 50 0 HKAARM C[C@@H]1CCc2c(sc3nc(-c4ccc(OCC(=O)[O-])cc4)cc(-c4ccco4)c32)C1 ZINC000007148370 569226346 /nfs/dbraw/zinc/22/63/46/569226346.db2.gz RPFQLOUNJFIBEA-CQSZACIVSA-N -1 0 419.502 5.812 50 0 HKAARM C[C@H]1CCc2c(sc3nc(-c4ccc(OCC(=O)[O-])cc4)cc(-c4ccco4)c32)C1 ZINC000007148372 569226321 /nfs/dbraw/zinc/22/63/21/569226321.db2.gz RPFQLOUNJFIBEA-AWEZNQCLSA-N -1 0 419.502 5.812 50 0 HKAARM O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)s1 ZINC000007155404 569225873 /nfs/dbraw/zinc/22/58/73/569225873.db2.gz WEUFZGLIGGNXBD-UHFFFAOYSA-N -1 0 407.988 5.670 50 0 HKAARM COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc(OC)c1OC ZINC000007586898 568482939 /nfs/dbraw/zinc/48/29/39/568482939.db2.gz MBWCZEPXOKYOIE-SNAWJCMRSA-N -1 0 406.265 5.443 50 0 HKAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000007604040 569295168 /nfs/dbraw/zinc/29/51/68/569295168.db2.gz SFSLGVLDZWQOID-UHFFFAOYSA-N -1 0 401.256 5.278 50 0 HKAARM Cc1nn(CC(C)C)c(Cl)c1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000007751720 557759189 /nfs/dbraw/zinc/75/91/89/557759189.db2.gz YBNMHJFKODTHSZ-GXDHUFHOSA-N -1 0 403.935 5.516 50 0 HKAARM CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCCC(=O)[O-])cc1 ZINC000007779736 569309317 /nfs/dbraw/zinc/30/93/17/569309317.db2.gz VKSSWLBLXOEEGW-UHFFFAOYSA-N -1 0 411.376 5.090 50 0 HKAARM Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\CC(=O)[O-])c1nc2ccccc2o1 ZINC000007813933 568485224 /nfs/dbraw/zinc/48/52/24/568485224.db2.gz LCSPSMYPRATIIF-LFIBNONCSA-N -1 0 407.857 5.050 50 0 HKAARM O=C([O-])Cc1c(-c2ccc(F)cc2)nc2ccc(Cl)cc2c1-c1ccccc1F ZINC000007847923 569314438 /nfs/dbraw/zinc/31/44/38/569314438.db2.gz ASCKPYJPUDLQGA-UHFFFAOYSA-N -1 0 409.819 6.128 50 0 HKAARM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc(Cl)c1OC(C)C ZINC000007914114 568486517 /nfs/dbraw/zinc/48/65/17/568486517.db2.gz QAGFGSOJUDGUAQ-RIYZIHGNSA-N -1 0 401.846 5.292 50 0 HKAARM O=C(c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)n(C2CC2)c1)c1ccccc1[O-] ZINC000007986579 568964812 /nfs/dbraw/zinc/96/48/12/568964812.db2.gz LQXMPDXLOIGESF-UHFFFAOYSA-N -1 0 405.841 5.130 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2Cl)nn1-c1cccc(Cl)c1 ZINC000007989870 568966687 /nfs/dbraw/zinc/96/66/87/568966687.db2.gz HXYHJCDICJKPJJ-UHFFFAOYSA-N -1 0 402.064 5.851 50 0 HKAARM O=C([O-])c1cc(Cl)ccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000008215087 557776032 /nfs/dbraw/zinc/77/60/32/557776032.db2.gz AGAVRXWSNHHUCB-UHFFFAOYSA-N -1 0 404.702 5.217 50 0 HKAARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccsc3)SC2=Nc2ccccc2)cc1 ZINC000008384020 568996336 /nfs/dbraw/zinc/99/63/36/568996336.db2.gz BPUJHKCTJPJTMI-OCFWRVAFSA-N -1 0 420.515 5.251 50 0 HKAARM Cc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)c2C(=O)[O-])cc1 ZINC000008387099 568996324 /nfs/dbraw/zinc/99/63/24/568996324.db2.gz YXIUASJWPWREKH-UHFFFAOYSA-N -1 0 416.296 5.437 50 0 HKAARM O=c1nc[n-]c2c1sc1nc3c(c(-c4ccc(Cl)cc4)c12)CCc1sccc1-3 ZINC000008411754 569001630 /nfs/dbraw/zinc/00/16/30/569001630.db2.gz OUNZIICWKKPBRT-UHFFFAOYSA-N -1 0 421.934 5.680 50 0 HKAARM O=c1nc(-c2ccc(Cl)cc2)[n-]c2c1sc1nc(C(F)F)cc(C3CC3)c12 ZINC000008419174 568500615 /nfs/dbraw/zinc/50/06/15/568500615.db2.gz CRNNXRMYSTUUJQ-UHFFFAOYSA-N -1 0 403.841 5.668 50 0 HKAARM Cc1ccc(N2C(=N)S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1C ZINC000008439039 569003023 /nfs/dbraw/zinc/00/30/23/569003023.db2.gz HBKRBPGWEKWUKK-HTHTTXKWSA-N -1 0 418.474 5.317 50 0 HKAARM Brc1ccc(-c2csc([N-]c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000008441992 557789676 /nfs/dbraw/zinc/78/96/76/557789676.db2.gz SQQLKGFHBXOXHQ-UHFFFAOYSA-N -1 0 414.353 6.440 50 0 HKAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000008448940 557790428 /nfs/dbraw/zinc/79/04/28/557790428.db2.gz XOZYUACEJMRUNV-UHFFFAOYSA-N -1 0 416.260 5.523 50 0 HKAARM [O-]c1c(Br)cc(/C=C/c2ccc3cccc(O)c3n2)cc1Br ZINC000008452593 557790956 /nfs/dbraw/zinc/79/09/56/557790956.db2.gz WYQQMKWEHOPOEY-GQCTYLIASA-N -1 0 421.088 5.341 50 0 HKAARM COc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000008470265 557791679 /nfs/dbraw/zinc/79/16/79/557791679.db2.gz ZNVHKFXAUAOMFD-UHFFFAOYSA-N -1 0 406.059 5.042 50 0 HKAARM CCc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000008595555 571087490 /nfs/dbraw/zinc/08/74/90/571087490.db2.gz MKTGXEHXRMZICT-XMMPIXPASA-N -1 0 423.472 5.087 50 0 HKAARM CCc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000008595556 571087441 /nfs/dbraw/zinc/08/74/41/571087441.db2.gz MKTGXEHXRMZICT-DEOSSOPVSA-N -1 0 423.472 5.087 50 0 HKAARM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000008602135 571090567 /nfs/dbraw/zinc/09/05/67/571090567.db2.gz BDSWKNUHFKZBAW-GOSISDBHSA-N -1 0 420.896 5.284 50 0 HKAARM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000008602136 571090899 /nfs/dbraw/zinc/09/08/99/571090899.db2.gz BDSWKNUHFKZBAW-SFHVURJKSA-N -1 0 420.896 5.284 50 0 HKAARM O=S(=O)([N-]c1ccccc1SCc1c(F)cccc1Cl)c1cccs1 ZINC000008618210 557797145 /nfs/dbraw/zinc/79/71/45/557797145.db2.gz VFURSDKFOVQUGC-UHFFFAOYSA-N -1 0 413.948 5.634 50 0 HKAARM O=C([O-])CC1(CC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)CCCC1 ZINC000008636688 557797842 /nfs/dbraw/zinc/79/78/42/557797842.db2.gz WADAQSYYVREPRT-UHFFFAOYSA-N -1 0 422.403 5.256 50 0 HKAARM COc1ccc(-c2cc(C(F)(F)F)nc(SCc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000008666831 559064457 /nfs/dbraw/zinc/06/44/57/559064457.db2.gz BYHGFIYOZJWIDJ-UHFFFAOYSA-N -1 0 420.412 5.162 50 0 HKAARM O=C([O-])c1cc(-n2c(=O)c3ccccc3nc2/C=C\c2ccc(F)cc2)ccc1Cl ZINC000008673925 571101035 /nfs/dbraw/zinc/10/10/35/571101035.db2.gz MWEFZOAMYIJQIV-GHXNOFRVSA-N -1 0 420.827 5.047 50 0 HKAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000008673963 571101001 /nfs/dbraw/zinc/10/10/01/571101001.db2.gz YLNQGZHSNVVESL-UHFFFAOYSA-N -1 0 422.440 5.880 50 0 HKAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Cl)c1 ZINC000008699160 568982391 /nfs/dbraw/zinc/98/23/91/568982391.db2.gz IWNXWBFVGWGSRR-OAQYLSRUSA-N -1 0 407.853 5.004 50 0 HKAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Cl ZINC000008699161 568982429 /nfs/dbraw/zinc/98/24/29/568982429.db2.gz JXDNNHWVILUHSO-OAQYLSRUSA-N -1 0 407.853 5.004 50 0 HKAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc2ccccc21 ZINC000008699170 569390138 /nfs/dbraw/zinc/39/01/38/569390138.db2.gz SCQIIBIYCFZYJE-VWLOTQADSA-N -1 0 423.468 5.504 50 0 HKAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc2ccccc21 ZINC000008699171 569390110 /nfs/dbraw/zinc/39/01/10/569390110.db2.gz SCQIIBIYCFZYJE-RUZDIDTESA-N -1 0 423.468 5.504 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc2ccc(Cl)cc21 ZINC000008717643 571105794 /nfs/dbraw/zinc/10/57/94/571105794.db2.gz ACQYAXNSHLDAJG-UHFFFAOYSA-N -1 0 417.770 6.532 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccc(Cl)cc21 ZINC000008717644 571105776 /nfs/dbraw/zinc/10/57/76/571105776.db2.gz XWADMGQCPXRPHK-UHFFFAOYSA-N -1 0 418.663 6.820 50 0 HKAARM O=C([O-])Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1ccc(Cl)cc1 ZINC000008719494 571106402 /nfs/dbraw/zinc/10/64/02/571106402.db2.gz HFCXTIKNFITFQT-UHFFFAOYSA-N -1 0 412.898 5.106 50 0 HKAARM O=C([O-])c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)C(F)F)n1 ZINC000008750722 571112222 /nfs/dbraw/zinc/11/22/22/571112222.db2.gz JWJFKDUPIBGBDD-UHFFFAOYSA-N -1 0 421.375 5.204 50 0 HKAARM CC(C)CCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 ZINC000008766534 571115709 /nfs/dbraw/zinc/11/57/09/571115709.db2.gz DWXIHQRNDHFPGB-UHFFFAOYSA-N -1 0 408.571 5.393 50 0 HKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2oc3ccccc3c2cc1OC ZINC000008782225 571119532 /nfs/dbraw/zinc/11/95/32/571119532.db2.gz XAQGWWVWNVSMKL-UHFFFAOYSA-N -1 0 417.870 5.057 50 0 HKAARM Cc1c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000008819029 571121478 /nfs/dbraw/zinc/12/14/78/571121478.db2.gz CQHVGLOEIQNWDU-UHFFFAOYSA-N -1 0 416.235 6.614 50 0 HKAARM Cc1c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000008819032 571121327 /nfs/dbraw/zinc/12/13/27/571121327.db2.gz DQBIYHGMHGKTLU-UHFFFAOYSA-N -1 0 415.342 6.326 50 0 HKAARM O=C([O-])C/C(=C\c1ccc(-c2ccccc2Br)o1)c1nc2ccccc2o1 ZINC000008825544 569390485 /nfs/dbraw/zinc/39/04/85/569390485.db2.gz GXGYHDRGUBQODN-ACCUITESSA-N -1 0 424.250 5.866 50 0 HKAARM Cc1c(-c2ccccc2)sc2ncnc([N-]S(=O)(=O)c3ccc(Cl)s3)c12 ZINC000008826182 571122278 /nfs/dbraw/zinc/12/22/78/571122278.db2.gz JOCWIXQYHRNMQL-UHFFFAOYSA-N -1 0 421.956 5.182 50 0 HKAARM Cc1ccc(C)c(N2C(=N)S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)c1 ZINC000008854830 557812147 /nfs/dbraw/zinc/81/21/47/557812147.db2.gz UNELMGUYQOCWST-HTHTTXKWSA-N -1 0 418.474 5.317 50 0 HKAARM CCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nnc(-c3ccccc3)s1)c2=O ZINC000008861639 571128710 /nfs/dbraw/zinc/12/87/10/571128710.db2.gz CKFSHICTFPRJDC-UHFFFAOYSA-N -1 0 418.396 5.265 50 0 HKAARM O=S(=O)([N-]c1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000008864664 571128935 /nfs/dbraw/zinc/12/89/35/571128935.db2.gz WXDUPUDOVILLLI-UHFFFAOYSA-N -1 0 400.912 5.418 50 0 HKAARM O=S(=O)([N-]c1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)s1 ZINC000008864768 560640347 /nfs/dbraw/zinc/64/03/47/560640347.db2.gz ZSBOFPZIRGFSJM-UHFFFAOYSA-N -1 0 406.941 5.479 50 0 HKAARM O=S(=O)([N-]c1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)s1 ZINC000008864769 571129018 /nfs/dbraw/zinc/12/90/18/571129018.db2.gz DJUSSCJHMSDALN-UHFFFAOYSA-N -1 0 406.941 5.479 50 0 HKAARM O=C([O-])CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000008989956 557817571 /nfs/dbraw/zinc/81/75/71/557817571.db2.gz JWIYASWUFCHRFO-UHFFFAOYSA-N -1 0 414.701 5.071 50 0 HKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000009002249 571209768 /nfs/dbraw/zinc/20/97/68/571209768.db2.gz IUXDJNJYCKZLCA-UHFFFAOYSA-N -1 0 415.536 5.009 50 0 HKAARM Cc1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc(C)c5cc(C)c(C)cc5n4)nc3C2)cc1 ZINC000009009294 557818907 /nfs/dbraw/zinc/81/89/07/557818907.db2.gz CGILGDFOAFWMQV-IBGZPJMESA-N -1 0 423.520 5.310 50 0 HKAARM COc1ccc(-c2csc(NC(=O)c3ccccc3Cl)c2C(=O)[O-])cc1OC ZINC000009019135 557819722 /nfs/dbraw/zinc/81/97/22/557819722.db2.gz JEQNUDMKMFOZJQ-UHFFFAOYSA-N -1 0 417.870 5.036 50 0 HKAARM CCc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccc(F)cc1 ZINC000009052649 557820636 /nfs/dbraw/zinc/82/06/36/557820636.db2.gz NMSKUGRBXGFTCH-UHFFFAOYSA-N -1 0 413.905 5.749 50 0 HKAARM COc1ccccc1-c1cc(-c2ccccc2)c2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000009087703 571219926 /nfs/dbraw/zinc/21/99/26/571219926.db2.gz RECABWCLNIAOFK-UHFFFAOYSA-N -1 0 400.459 5.186 50 0 HKAARM O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccc(Cl)cc1Cl ZINC000009094823 557823537 /nfs/dbraw/zinc/82/35/37/557823537.db2.gz KTKPVSZLTSJFPY-UHFFFAOYSA-N -1 0 421.255 5.002 50 0 HKAARM O=C(c1ccccc1)c1cnc([N-]c2nc3ccccc3s2)nc1-c1ccccc1 ZINC000009111341 571223119 /nfs/dbraw/zinc/22/31/19/571223119.db2.gz MYWXOCSZLBXFOH-UHFFFAOYSA-N -1 0 408.486 5.728 50 0 HKAARM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 ZINC000009129671 571227329 /nfs/dbraw/zinc/22/73/29/571227329.db2.gz WSSHXACYMMBJPG-UHFFFAOYSA-N -1 0 421.880 6.264 50 0 HKAARM COc1ccc(-c2nonc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000009129731 571227268 /nfs/dbraw/zinc/22/72/68/571227268.db2.gz GBRQRJMJGOZXJG-UHFFFAOYSA-N -1 0 420.277 5.519 50 0 HKAARM COc1ccc(-c2c(C)noc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 ZINC000009129763 571227280 /nfs/dbraw/zinc/22/72/80/571227280.db2.gz JYEXMHJWJWNQRK-UHFFFAOYSA-N -1 0 421.880 6.264 50 0 HKAARM Cc1ccc(C)c(-c2nc(Nc3ccc(Br)cc3)sc2CC(=O)[O-])c1 ZINC000009207980 560757544 /nfs/dbraw/zinc/75/75/44/560757544.db2.gz RTZNFVFZOCQJMR-UHFFFAOYSA-N -1 0 417.328 5.560 50 0 HKAARM Cc1ccc(-c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000009278567 557016697 /nfs/dbraw/zinc/01/66/97/557016697.db2.gz FBTRPOHUTLTXKQ-UHFFFAOYSA-N -1 0 415.927 5.121 50 0 HKAARM O=C([O-])c1cccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)c1 ZINC000009301923 557835179 /nfs/dbraw/zinc/83/51/79/557835179.db2.gz LPCDCZHOVXMVAC-UHFFFAOYSA-N -1 0 420.266 5.501 50 0 HKAARM Cc1c2cc(Cl)c(OCc3ccc4ccccc4c3)cc2oc(=O)c1CCC(=O)[O-] ZINC000009307694 571246816 /nfs/dbraw/zinc/24/68/16/571246816.db2.gz CEEQAUJNPFBEPG-UHFFFAOYSA-N -1 0 422.864 5.504 50 0 HKAARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 ZINC000009323577 557837068 /nfs/dbraw/zinc/83/70/68/557837068.db2.gz OTNOEZRPNXYXSZ-YBFXNURJSA-N -1 0 423.421 5.020 50 0 HKAARM O=C1CCCc2nc([N-]c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)ncc21 ZINC000009329329 557837478 /nfs/dbraw/zinc/83/74/78/557837478.db2.gz SZNNQRHOLABZAX-UHFFFAOYSA-N -1 0 401.857 5.003 50 0 HKAARM O=c1[n-]c(SCc2cccc(Oc3ccccc3)c2)nnc1Cc1ccccc1 ZINC000009340798 571249785 /nfs/dbraw/zinc/24/97/85/571249785.db2.gz KHZUCWAOTFMQLU-UHFFFAOYSA-N -1 0 401.491 5.253 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(-c4ccccc4)cc3)n2)c1[O-] ZINC000009345724 571250268 /nfs/dbraw/zinc/25/02/68/571250268.db2.gz HTXUPWFGFJGURA-UHFFFAOYSA-N -1 0 420.468 6.470 50 0 HKAARM O=C([O-])c1cccc(Oc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000009356485 571251314 /nfs/dbraw/zinc/25/13/14/571251314.db2.gz IJDJDSMZKCDQTC-UHFFFAOYSA-N -1 0 419.458 5.131 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1C(F)(F)F ZINC000009367492 571252305 /nfs/dbraw/zinc/25/23/05/571252305.db2.gz JESCTCQPDHESJC-UHFFFAOYSA-N -1 0 418.396 5.314 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccccc1F ZINC000009377739 571253136 /nfs/dbraw/zinc/25/31/36/571253136.db2.gz CZMPYWQDZHQIFT-UHFFFAOYSA-N -1 0 417.412 5.038 50 0 HKAARM COc1cccc2sc([N-]c3nc4ccc5nc(SC)sc5c4s3)nc21 ZINC000009381959 557840982 /nfs/dbraw/zinc/84/09/82/557840982.db2.gz DGFOFPDSMQAYON-UHFFFAOYSA-N -1 0 416.578 5.990 50 0 HKAARM COc1ccc2nc([N-]c3nc4ccc5nc(SC)sc5c4s3)sc2c1 ZINC000009381966 571253833 /nfs/dbraw/zinc/25/38/33/571253833.db2.gz YFZCIPDTIPQDBF-UHFFFAOYSA-N -1 0 416.578 5.990 50 0 HKAARM CSc1nc2ccc3nc([N-]c4nc5ccc(Cl)cc5s4)sc3c2s1 ZINC000009381970 571253836 /nfs/dbraw/zinc/25/38/36/571253836.db2.gz PAFYPVSEARSAQR-UHFFFAOYSA-N -1 0 420.997 6.635 50 0 HKAARM c1sc([N-]c2nc3cc4c(cc3s2)OCO4)nc1-c1nc2ccccc2s1 ZINC000009381975 571253973 /nfs/dbraw/zinc/25/39/73/571253973.db2.gz CTTQXGHAZSYPEL-UHFFFAOYSA-N -1 0 410.505 5.502 50 0 HKAARM Cc1nc2c(ccc3nc([N-]c4nc5cc6c(cc5s4)OCCO6)sc32)s1 ZINC000009381978 571253963 /nfs/dbraw/zinc/25/39/63/571253963.db2.gz SYZQLGTUKSCJGM-UHFFFAOYSA-N -1 0 412.521 5.339 50 0 HKAARM Cc1cc(-c2nc3cccnc3s2)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009403969 571255071 /nfs/dbraw/zinc/25/50/71/571255071.db2.gz ZEKHOARRMPQABP-UHFFFAOYSA-N -1 0 421.956 5.182 50 0 HKAARM Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)cccc1-c1nc2cccnc2s1 ZINC000009403977 571255080 /nfs/dbraw/zinc/25/50/80/571255080.db2.gz MHNOAYOJQQVHJY-UHFFFAOYSA-N -1 0 421.956 5.182 50 0 HKAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Cl)cc3)n2)cc1OC ZINC000009406687 571255435 /nfs/dbraw/zinc/25/54/35/571255435.db2.gz LGICTNUXTDVENQ-UHFFFAOYSA-N -1 0 423.856 5.051 50 0 HKAARM Cc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000009427124 557842982 /nfs/dbraw/zinc/84/29/82/557842982.db2.gz GBTYPGVCRHHBMT-UHFFFAOYSA-N -1 0 416.333 6.009 50 0 HKAARM CSc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009480707 571262016 /nfs/dbraw/zinc/26/20/16/571262016.db2.gz PDFJGTLLFPVGRO-VXKWHMMOSA-N -1 0 421.493 5.113 50 0 HKAARM O=C([O-])c1ccc(-n2c(/C=C/c3cccc4ccccc34)nc3ccccc3c2=O)cc1 ZINC000009489893 571262676 /nfs/dbraw/zinc/26/26/76/571262676.db2.gz RXTLLNBJPBKVHH-SAPNQHFASA-N -1 0 418.452 5.408 50 0 HKAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1 ZINC000009539493 571267327 /nfs/dbraw/zinc/26/73/27/571267327.db2.gz LAKAGYKBMJKZIV-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM O=C([O-])c1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009560564 571268376 /nfs/dbraw/zinc/26/83/76/571268376.db2.gz XAINDYCIJOBDIT-UHFFFAOYSA-N -1 0 420.852 5.493 50 0 HKAARM O=C([O-])Cc1c(-c2ccc3c(c2)OCCCO3)nc2ccccc2c1-c1ccccc1 ZINC000009616773 571274170 /nfs/dbraw/zinc/27/41/70/571274170.db2.gz GLALBRPANHXAEQ-UHFFFAOYSA-N -1 0 411.457 5.357 50 0 HKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000009645882 571276330 /nfs/dbraw/zinc/27/63/30/571276330.db2.gz SXKDVYGQMDGQMS-UHFFFAOYSA-N -1 0 415.536 5.009 50 0 HKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000009645883 571276244 /nfs/dbraw/zinc/27/62/44/571276244.db2.gz AMTRTWGKKDCFCM-UHFFFAOYSA-N -1 0 415.536 5.009 50 0 HKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000009645887 571276255 /nfs/dbraw/zinc/27/62/55/571276255.db2.gz QRKKIFOCQZOKIY-UHFFFAOYSA-N -1 0 415.536 5.009 50 0 HKAARM O=C1S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C(=O)N1c1ccccc1 ZINC000009720809 557849192 /nfs/dbraw/zinc/84/91/92/557849192.db2.gz HSERMQDTZAICPH-MDWZMJQESA-N -1 0 410.676 5.049 50 0 HKAARM COc1ccc(NCc2cn(-c3ccc(C(=O)[O-])s3)c3ccccc23)cc1Cl ZINC000009741017 571283475 /nfs/dbraw/zinc/28/34/75/571283475.db2.gz YIGBSCGPEKPVCI-UHFFFAOYSA-N -1 0 412.898 5.664 50 0 HKAARM Cc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1cccc(Cl)c1 ZINC000009936241 557851938 /nfs/dbraw/zinc/85/19/38/557851938.db2.gz OOMOPCIGYDFBIN-UHFFFAOYSA-N -1 0 416.333 6.009 50 0 HKAARM O=C([O-])Cc1ccc(Nc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000009972214 557852786 /nfs/dbraw/zinc/85/27/86/557852786.db2.gz NSIRVLDTNIGJOQ-UHFFFAOYSA-N -1 0 404.853 5.219 50 0 HKAARM COc1cc2nc([N-]c3nc4ccc5sc(C)nc5c4s3)sc2cc1OC ZINC000010068973 571294706 /nfs/dbraw/zinc/29/47/06/571294706.db2.gz GVMIHSHOHWTPLB-UHFFFAOYSA-N -1 0 414.537 5.585 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccc(Cl)cc21 ZINC000010272147 557261266 /nfs/dbraw/zinc/26/12/66/557261266.db2.gz NQICXTFYYCAODI-UHFFFAOYSA-N -1 0 418.663 6.820 50 0 HKAARM CSc1nc2ccc3nc([N-]c4nc5c(cc(F)cc5F)s4)sc3c2s1 ZINC000011758013 559257732 /nfs/dbraw/zinc/25/77/32/559257732.db2.gz QCIJWSLHJVMKCF-UHFFFAOYSA-N -1 0 422.532 6.259 50 0 HKAARM Cc1cc(C)c2c(n1)sc(-c1cc(=O)oc3cc([O-])c(Cl)cc31)c2-n1cccc1 ZINC000011865375 559263581 /nfs/dbraw/zinc/26/35/81/559263581.db2.gz ROUQOSUDGZMBDI-UHFFFAOYSA-N -1 0 422.893 5.836 50 0 HKAARM CCc1cc2c(cc1[O-])oc(-c1ccc(C)cc1)c(-c1nc3ccccc3n1C)c2=O ZINC000011867609 569399088 /nfs/dbraw/zinc/39/90/88/569399088.db2.gz YHILYQRSELODFD-UHFFFAOYSA-N -1 0 410.473 5.590 50 0 HKAARM O=C([N-]c1c2ccccc2oc1C(=O)c1ccccc1)c1cc(-c2ccccc2)on1 ZINC000011915836 559267901 /nfs/dbraw/zinc/26/79/01/559267901.db2.gz OQHXDZKUFXFINB-UHFFFAOYSA-N -1 0 408.413 5.571 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3Br)o2)nc2ccc(F)cc21 ZINC000012042422 558313108 /nfs/dbraw/zinc/31/31/08/558313108.db2.gz HYVDRUFASPEMOU-UHFFFAOYSA-N -1 0 412.214 5.762 50 0 HKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(Br)cc21 ZINC000012042428 558313261 /nfs/dbraw/zinc/31/32/61/558313261.db2.gz BQGBJPMPKRADMV-UHFFFAOYSA-N -1 0 412.214 5.762 50 0 HKAARM COc1ccc2sc([N-]c3nc(-c4cc(Cl)sc4Cl)cs3)nc2c1 ZINC000012141023 560890343 /nfs/dbraw/zinc/89/03/43/560890343.db2.gz XVAJGYMXTZUDBT-UHFFFAOYSA-N -1 0 414.364 6.540 50 0 HKAARM CSc1ccc2nc([N-]c3nc(-c4nc5ccccc5s4)cs3)sc2c1 ZINC000012141024 560890390 /nfs/dbraw/zinc/89/03/90/560890390.db2.gz JWUAFHFATVMODX-UHFFFAOYSA-N -1 0 412.590 6.495 50 0 HKAARM O=C([O-])[C@@H](Sc1nnc(-c2ccc(Cl)cc2)c2ccccc21)c1ccccc1 ZINC000012176780 560890939 /nfs/dbraw/zinc/89/09/39/560890939.db2.gz BLVVEIDQZUTZEL-FQEVSTJZSA-N -1 0 406.894 5.868 50 0 HKAARM O=C([O-])[C@H](Sc1nnc(-c2ccc(Cl)cc2)c2ccccc21)c1ccccc1 ZINC000012176782 560890980 /nfs/dbraw/zinc/89/09/80/560890980.db2.gz BLVVEIDQZUTZEL-HXUWFJFHSA-N -1 0 406.894 5.868 50 0 HKAARM Cc1ccc(-n2[n-]c(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2=O)cc1 ZINC000012345980 568494251 /nfs/dbraw/zinc/49/42/51/568494251.db2.gz RKYVCCOKOZTLOY-UHFFFAOYSA-N -1 0 403.869 5.459 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000012374683 558391394 /nfs/dbraw/zinc/39/13/94/558391394.db2.gz YVLAODPHHLDUHW-AWEZNQCLSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000012374684 558391380 /nfs/dbraw/zinc/39/13/80/558391380.db2.gz YVLAODPHHLDUHW-CQSZACIVSA-N -1 0 401.846 5.380 50 0 HKAARM O=S(=O)([N-]c1ccccc1-c1nc2ccccc2s1)c1cc(F)cc(F)c1 ZINC000012375700 558391857 /nfs/dbraw/zinc/39/18/57/558391857.db2.gz NNMORLXNWKKDOW-UHFFFAOYSA-N -1 0 402.447 5.042 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000012376926 558392244 /nfs/dbraw/zinc/39/22/44/558392244.db2.gz BXFWBHVRGQEMBT-LBPRGKRZSA-N -1 0 418.301 5.894 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000012376927 558392262 /nfs/dbraw/zinc/39/22/62/558392262.db2.gz BXFWBHVRGQEMBT-GFCCVEGCSA-N -1 0 418.301 5.894 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000012376928 558392342 /nfs/dbraw/zinc/39/23/42/558392342.db2.gz GESMDJDVTHXIOR-ZDUSSCGKSA-N -1 0 418.301 5.894 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000012376929 558392322 /nfs/dbraw/zinc/39/23/22/558392322.db2.gz GESMDJDVTHXIOR-CYBMUJFWSA-N -1 0 418.301 5.894 50 0 HKAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012414867 568717343 /nfs/dbraw/zinc/71/73/43/568717343.db2.gz HLCUQSRNGUNGPY-UHFFFAOYSA-N -1 0 415.536 5.009 50 0 HKAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000012414868 568717360 /nfs/dbraw/zinc/71/73/60/568717360.db2.gz ROMTVZOJWOJYIN-UHFFFAOYSA-N -1 0 415.536 5.009 50 0 HKAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccccc1C ZINC000012414869 568717265 /nfs/dbraw/zinc/71/72/65/568717265.db2.gz HIKLJOIEELVUEU-UHFFFAOYSA-N -1 0 415.536 5.009 50 0 HKAARM O=c1cc([O-])c2sc3nc(C45CC6CC(CC(C6)C4)C5)cc(C(F)F)c3c2[nH]1 ZINC000012428273 568991106 /nfs/dbraw/zinc/99/11/06/568991106.db2.gz QJLRPJGXQGNSGT-UHFFFAOYSA-N -1 0 402.466 5.249 50 0 HKAARM O=c1cc([O-])c2sc3nc(C(F)(F)F)cc(C45CC6CC(CC(C6)C4)C5)c3c2[nH]1 ZINC000012428274 558403720 /nfs/dbraw/zinc/40/37/20/558403720.db2.gz PTOCZGBKOBCWIR-UHFFFAOYSA-N -1 0 420.456 5.742 50 0 HKAARM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(OC2CCCC2)cc1 ZINC000012429069 558403995 /nfs/dbraw/zinc/40/39/95/558403995.db2.gz GCXBAQOKJFLUBA-LJQANCHMSA-N -1 0 422.308 5.261 50 0 HKAARM O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(OC2CCCC2)cc1 ZINC000012429070 558404020 /nfs/dbraw/zinc/40/40/20/558404020.db2.gz GCXBAQOKJFLUBA-IBGZPJMESA-N -1 0 422.308 5.261 50 0 HKAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OC2CCCC2)cc1 ZINC000012429071 558404015 /nfs/dbraw/zinc/40/40/15/558404015.db2.gz FRNVSCZIFPPKFD-LJQANCHMSA-N -1 0 422.308 5.261 50 0 HKAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OC2CCCC2)cc1 ZINC000012429072 558403969 /nfs/dbraw/zinc/40/39/69/558403969.db2.gz FRNVSCZIFPPKFD-IBGZPJMESA-N -1 0 422.308 5.261 50 0 HKAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC2CCCC2)cc1 ZINC000012429073 558404005 /nfs/dbraw/zinc/40/40/05/558404005.db2.gz DWLZXJFLPFGCOC-LJQANCHMSA-N -1 0 422.308 5.261 50 0 HKAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC2CCCC2)cc1 ZINC000012429074 558403998 /nfs/dbraw/zinc/40/39/98/558403998.db2.gz DWLZXJFLPFGCOC-IBGZPJMESA-N -1 0 422.308 5.261 50 0 HKAARM CCCCCCSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1C ZINC000012436667 558409306 /nfs/dbraw/zinc/40/93/06/558409306.db2.gz AUSDOAQFHIBDDO-UHFFFAOYSA-N -1 0 408.567 5.510 50 0 HKAARM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000012466557 568838017 /nfs/dbraw/zinc/83/80/17/568838017.db2.gz QPQSMMYCNBJGJS-UHFFFAOYSA-N -1 0 410.109 5.133 50 0 HKAARM Cn1cc(C(=O)c2cc(Cl)ccc2[O-])cc1-c1nc2ccccc2n1C(F)F ZINC000012541350 568848724 /nfs/dbraw/zinc/84/87/24/568848724.db2.gz DZZNTQITDFMUSC-UHFFFAOYSA-N -1 0 401.800 5.027 50 0 HKAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000012565843 568860180 /nfs/dbraw/zinc/86/01/80/568860180.db2.gz ACYHRKRMCPVMPW-UHFFFAOYSA-N -1 0 418.440 5.634 50 0 HKAARM O=C([O-])c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000012587741 568867649 /nfs/dbraw/zinc/86/76/49/568867649.db2.gz RKVIBZJINMZPEH-UHFFFAOYSA-N -1 0 414.511 6.193 50 0 HKAARM Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000012601077 568869954 /nfs/dbraw/zinc/86/99/54/568869954.db2.gz IARVHTPUINCLRS-UHFFFAOYSA-N -1 0 404.447 5.329 50 0 HKAARM COCc1c2ccccc2oc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000012601085 568870077 /nfs/dbraw/zinc/87/00/77/568870077.db2.gz GWFFWIXFJYRGSC-UHFFFAOYSA-N -1 0 407.447 5.258 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2Cl)c(C)c1 ZINC000012605833 568871134 /nfs/dbraw/zinc/87/11/34/568871134.db2.gz HPHVBFMKHDWLBU-UHFFFAOYSA-N -1 0 420.943 5.071 50 0 HKAARM Cc1c(Cl)cccc1NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000012608583 568871460 /nfs/dbraw/zinc/87/14/60/568871460.db2.gz FMNYNLMXMLRIOS-UHFFFAOYSA-N -1 0 415.946 5.220 50 0 HKAARM Cc1ccc(Cl)cc1NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000012635776 568883851 /nfs/dbraw/zinc/88/38/51/568883851.db2.gz WBCBVAQLIVHUCN-UHFFFAOYSA-N -1 0 415.946 5.220 50 0 HKAARM CCc1cccc(CC)c1-n1c(=O)cc([O-])nc1SCc1ccc(Cl)cc1 ZINC000012636770 558442815 /nfs/dbraw/zinc/44/28/15/558442815.db2.gz NFKCADHKAXHHRY-UHFFFAOYSA-N -1 0 400.931 5.009 50 0 HKAARM Cc1ccc(-c2csc3ncnc([N-]S(=O)(=O)c4cc(C)c(C)c(C)c4)c23)cc1 ZINC000012637657 568884112 /nfs/dbraw/zinc/88/41/12/568884112.db2.gz HLKNMIQRSAPPKQ-UHFFFAOYSA-N -1 0 423.563 5.393 50 0 HKAARM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc1OC ZINC000012657397 569402408 /nfs/dbraw/zinc/40/24/08/569402408.db2.gz CPZTYNWOPDNBNL-NRFANRHFSA-N -1 0 423.490 5.029 50 0 biogenic HKAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc1OC ZINC000012657400 569402480 /nfs/dbraw/zinc/40/24/80/569402480.db2.gz CPZTYNWOPDNBNL-OAQYLSRUSA-N -1 0 423.490 5.029 50 0 biogenic HKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@@]21C ZINC000012661350 569402554 /nfs/dbraw/zinc/40/25/54/569402554.db2.gz YSWDCQJTPYALJE-OIOPJQQXSA-N -1 0 404.635 6.742 50 0 biogenic HKAARM O=C(Nc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000012685550 568908250 /nfs/dbraw/zinc/90/82/50/568908250.db2.gz IQFUUURBNKRQAA-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM O=C([O-])c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)cc1 ZINC000012699768 568917058 /nfs/dbraw/zinc/91/70/58/568917058.db2.gz OTXHVHUMDNYQGS-UHFFFAOYSA-N -1 0 406.441 6.369 50 0 HKAARM C[C@H]1c2cccn2CCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000012742168 568929761 /nfs/dbraw/zinc/92/97/61/568929761.db2.gz FGZNSAVQGVESQP-ZDUSSCGKSA-N -1 0 410.930 5.096 50 0 HKAARM C[C@@H]1c2cccn2CCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000012742170 568929778 /nfs/dbraw/zinc/92/97/78/568929778.db2.gz FGZNSAVQGVESQP-CYBMUJFWSA-N -1 0 410.930 5.096 50 0 HKAARM O=C([O-])c1ccc(CSCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000012743449 568930206 /nfs/dbraw/zinc/93/02/06/568930206.db2.gz RYQADRLBTGZAFM-UHFFFAOYSA-N -1 0 407.491 5.439 50 0 HKAARM Cc1ccc(Sc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012767550 568949336 /nfs/dbraw/zinc/94/93/36/568949336.db2.gz PQYKQPCOZZSKGP-UHFFFAOYSA-N -1 0 421.547 5.199 50 0 HKAARM CCc1ccc(Cl)c(CC)c1NC(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000012771459 568952128 /nfs/dbraw/zinc/95/21/28/568952128.db2.gz POSNCLBCFHQLFC-UHFFFAOYSA-N -1 0 411.885 5.334 50 0 HKAARM O=C(Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000012774393 568953516 /nfs/dbraw/zinc/95/35/16/568953516.db2.gz XVKMFLOIVIUPGV-UHFFFAOYSA-N -1 0 417.490 5.285 50 0 HKAARM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)o1 ZINC000012775180 568953931 /nfs/dbraw/zinc/95/39/31/568953931.db2.gz DONFFFQIXKTVGI-UHFFFAOYSA-N -1 0 416.808 5.123 50 0 HKAARM Cc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2CCC(=O)[O-])cc1 ZINC000012817468 568989744 /nfs/dbraw/zinc/98/97/44/568989744.db2.gz COGKFHVCQYBGBZ-UHFFFAOYSA-N -1 0 409.555 5.318 50 0 HKAARM Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(-c2cccs2)n1CC(=O)[O-] ZINC000012817475 568989694 /nfs/dbraw/zinc/98/96/94/568989694.db2.gz UTMUSRGGXLHDSX-UHFFFAOYSA-N -1 0 415.584 5.298 50 0 HKAARM O=C([O-])Cn1c(SCc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000012817559 568989698 /nfs/dbraw/zinc/98/96/98/568989698.db2.gz UIJMZQGKIYWXHB-UHFFFAOYSA-N -1 0 409.898 5.129 50 0 HKAARM O=C([O-])/C=C/c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000012993160 569406220 /nfs/dbraw/zinc/40/62/20/569406220.db2.gz JSICOVVJSMJEFE-ZZXKWVIFSA-N -1 0 403.278 5.074 50 0 HKAARM Cc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000013040622 569407943 /nfs/dbraw/zinc/40/79/43/569407943.db2.gz MQNMRGCBXLXWCX-UHFFFAOYSA-N -1 0 409.841 5.520 50 0 HKAARM COc1cc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1OC ZINC000013041301 569052349 /nfs/dbraw/zinc/05/23/49/569052349.db2.gz NPSFOQIOCAZCQI-QQFZQELXSA-N -1 0 423.896 5.727 50 0 HKAARM COc1cc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1OC ZINC000013041302 569052353 /nfs/dbraw/zinc/05/23/53/569052353.db2.gz NPSFOQIOCAZCQI-LERPTODRSA-N -1 0 423.896 5.727 50 0 HKAARM Cc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000013069230 558510926 /nfs/dbraw/zinc/51/09/26/558510926.db2.gz HKKKOZZNRJNEGQ-UHFFFAOYSA-N -1 0 409.841 5.520 50 0 HKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)oc1ccccc12 ZINC000013098153 569409085 /nfs/dbraw/zinc/40/90/85/569409085.db2.gz WKBPTNPCMGCDQU-UHFFFAOYSA-N -1 0 422.289 5.702 50 0 HKAARM O=S(=O)([N-]c1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(Cl)c1 ZINC000013115523 569409411 /nfs/dbraw/zinc/40/94/11/569409411.db2.gz ZOXAZNKNBUSNOQ-UHFFFAOYSA-N -1 0 416.911 5.543 50 0 HKAARM O=C([O-])c1ccccc1O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000013135815 558521243 /nfs/dbraw/zinc/52/12/43/558521243.db2.gz QYBLXDWRODFHJI-LJQANCHMSA-N -1 0 416.260 5.450 50 0 HKAARM O=C([O-])c1ccccc1O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000013135816 558521288 /nfs/dbraw/zinc/52/12/88/558521288.db2.gz QYBLXDWRODFHJI-IBGZPJMESA-N -1 0 416.260 5.450 50 0 HKAARM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000013137399 558521437 /nfs/dbraw/zinc/52/14/37/558521437.db2.gz RWFJYFRIQPJTJS-UHFFFAOYSA-N -1 0 402.633 5.049 50 0 HKAARM Cc1ccc(Sc2ccc(NC(=O)c3cc(Cl)c([O-])c(Cl)c3)cc2)c(C)c1 ZINC000013145577 560802462 /nfs/dbraw/zinc/80/24/62/560802462.db2.gz KKSAIJDWAJJZOU-UHFFFAOYSA-N -1 0 418.345 6.719 50 0 HKAARM O=C([O-])c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000013149935 569410222 /nfs/dbraw/zinc/41/02/22/569410222.db2.gz NWYBYEJFNSXAAJ-UHFFFAOYSA-N -1 0 422.893 5.030 50 0 HKAARM Cn1cc(C(c2cn(C)c3ccccc23)c2ccccc2OCC(=O)[O-])c2ccccc21 ZINC000013153314 558524071 /nfs/dbraw/zinc/52/40/71/558524071.db2.gz VDXSDJGKEGVTBB-UHFFFAOYSA-N -1 0 424.500 5.314 50 0 HKAARM O=C([O-])c1ccc(Cl)c(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 ZINC000013356513 558530306 /nfs/dbraw/zinc/53/03/06/558530306.db2.gz QBLUMAVFZQWCBF-UHFFFAOYSA-N -1 0 413.307 5.032 50 0 HKAARM COc1cc(CCc2ccccc2)c(C(=O)[O-])c(O)c1C/C=C(\C)CCC=C(C)C ZINC000013358271 291293832 /nfs/dbraw/zinc/29/38/32/291293832.db2.gz DKNIJLWIVUCTHW-CPNJWEJPSA-N -1 0 408.538 6.119 50 0 biogenic,in-vitro HKAARM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccccc4Cl)c3)n2)cc1 ZINC000013359191 569411588 /nfs/dbraw/zinc/41/15/88/569411588.db2.gz RQQSUXGMWWEVTP-UHFFFAOYSA-N -1 0 424.909 5.771 50 0 HKAARM CCCOc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000013362559 569411947 /nfs/dbraw/zinc/41/19/47/569411947.db2.gz JWHWKKOEDVMVSR-BJKOFHAPSA-N -1 0 415.489 5.041 50 0 HKAARM CCCOc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000013362561 569411992 /nfs/dbraw/zinc/41/19/92/569411992.db2.gz JWHWKKOEDVMVSR-ZEQRLZLVSA-N -1 0 415.489 5.041 50 0 HKAARM CCCOc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000013362563 569412000 /nfs/dbraw/zinc/41/20/00/569412000.db2.gz JWHWKKOEDVMVSR-DNQXCXABSA-N -1 0 415.489 5.041 50 0 HKAARM CCCOc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000013362565 569411959 /nfs/dbraw/zinc/41/19/59/569411959.db2.gz JWHWKKOEDVMVSR-RPWUZVMVSA-N -1 0 415.489 5.041 50 0 HKAARM C/C(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013373368 291281052 /nfs/dbraw/zinc/28/10/52/291281052.db2.gz IJEHYEVNWOYGMS-WGUBEYSISA-N -1 0 406.950 5.783 50 0 biogenic,in-vitro HKAARM O=C([O-])c1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C(F)(F)F ZINC000013394797 569413296 /nfs/dbraw/zinc/41/32/96/569413296.db2.gz QLQOGFPNPZXVTP-UHFFFAOYSA-N -1 0 408.188 5.020 50 0 HKAARM O=C([O-])c1cnn(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C(F)(F)F ZINC000013396401 569413338 /nfs/dbraw/zinc/41/33/38/569413338.db2.gz CMKANJNRUNRPLR-UHFFFAOYSA-N -1 0 415.396 5.380 50 0 HKAARM Cc1cccc(C(C)C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013676837 558564661 /nfs/dbraw/zinc/56/46/61/558564661.db2.gz AMIYPPSWWMWXJZ-UHFFFAOYSA-N -1 0 414.552 5.233 50 0 HKAARM O=P([O-])(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000013728725 558585710 /nfs/dbraw/zinc/58/57/10/558585710.db2.gz LOUHGZNRHUUFHM-UHFFFAOYSA-N -1 0 414.238 5.454 50 0 HKAARM O=c1cc([O-])c2sc3nc(-c4cccs4)cc(-c4ccc(Cl)cc4)c3c2[nH]1 ZINC000013739585 558589020 /nfs/dbraw/zinc/58/90/20/558589020.db2.gz UELSPZIJBYZTKV-UHFFFAOYSA-N -1 0 410.907 5.892 50 0 HKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccccc3Br)n2)c1[O-] ZINC000013811361 558595839 /nfs/dbraw/zinc/59/58/39/558595839.db2.gz SZANDANXDZWVST-UHFFFAOYSA-N -1 0 423.266 5.566 50 0 HKAARM O=C([O-])Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cc2ccccc2)cc1 ZINC000013892724 558599940 /nfs/dbraw/zinc/59/99/40/558599940.db2.gz DFHPFXNSNVCSRG-UHFFFAOYSA-N -1 0 419.933 6.348 50 0 HKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013896584 558600538 /nfs/dbraw/zinc/60/05/38/558600538.db2.gz QXSVXLDPDYIOQW-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM O=C([O-])Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000013898357 558600731 /nfs/dbraw/zinc/60/07/31/558600731.db2.gz QEJCBCMOQATBCK-UHFFFAOYSA-N -1 0 421.905 6.550 50 0 HKAARM O=c1oc2cc([O-])ccc2cc1-c1csc(-c2cc3cc(Cl)ccc3oc2=O)n1 ZINC000013898516 558600712 /nfs/dbraw/zinc/60/07/12/558600712.db2.gz RHSDKLSMZRQFHF-UHFFFAOYSA-N -1 0 423.833 5.049 50 0 HKAARM CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4cc(Cl)c([O-])c(Cl)c4)[nH]c(=O)c23)C1 ZINC000013898680 558600967 /nfs/dbraw/zinc/60/09/67/558600967.db2.gz YVOSRVGANKWOOE-SNVBAGLBSA-N -1 0 423.365 5.815 50 0 HKAARM CC(C)(C)[C@H]1CCc2c(sc3nc(-c4cc(Cl)c([O-])c(Cl)c4)[nH]c(=O)c23)C1 ZINC000013898682 558600988 /nfs/dbraw/zinc/60/09/88/558600988.db2.gz YVOSRVGANKWOOE-JTQLQIEISA-N -1 0 423.365 5.815 50 0 HKAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4F)cc3)sc2c1 ZINC000013948069 569258255 /nfs/dbraw/zinc/25/82/55/569258255.db2.gz QBBSLRFTGZHAMO-UHFFFAOYSA-N -1 0 416.474 5.351 50 0 HKAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(F)ccc4F)cc3)sc2c1 ZINC000013948070 558985869 /nfs/dbraw/zinc/98/58/69/558985869.db2.gz VMDNGVNXBZCHGB-UHFFFAOYSA-N -1 0 416.474 5.351 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Br)s2)nc2cc(Br)ccc21 ZINC000013950209 560830770 /nfs/dbraw/zinc/83/07/70/560830770.db2.gz ZUEPFRPWKWMSNL-UHFFFAOYSA-N -1 0 413.090 5.187 50 0 HKAARM CCC(CC)Nc1nc(CSc2ccccc2)nc2sc(C(=O)[O-])c(C)c21 ZINC000014066167 558616645 /nfs/dbraw/zinc/61/66/45/558616645.db2.gz UVGDAMPXDMFSLW-UHFFFAOYSA-N -1 0 401.557 5.591 50 0 HKAARM CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 ZINC000014164617 569399091 /nfs/dbraw/zinc/39/90/91/569399091.db2.gz ZXERDUOLZKYMJM-ZWECCWDJSA-N -1 0 420.634 5.114 50 0 fda HKAARM CC(C)(C)CC(C)(C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000014632502 558662285 /nfs/dbraw/zinc/66/22/85/558662285.db2.gz BFMHUIHQVXSNRF-OALUTQOASA-N -1 0 419.562 5.242 50 0 HKAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000014632527 558662435 /nfs/dbraw/zinc/66/24/35/558662435.db2.gz BDYJGGSJTQZJEK-WMZOPIPTSA-N -1 0 423.937 5.229 50 0 HKAARM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632637 558662399 /nfs/dbraw/zinc/66/23/99/558662399.db2.gz CRUQGOIDPMKBGN-KOSHJBKYSA-N -1 0 419.521 5.291 50 0 HKAARM Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccccc1OCC(=O)[O-] ZINC000015016629 558702299 /nfs/dbraw/zinc/70/22/99/558702299.db2.gz XMKYVIUMPHHXOD-UHFFFAOYSA-N -1 0 424.500 5.910 50 0 HKAARM Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccc(OCC(=O)[O-])cc1 ZINC000015016630 558702280 /nfs/dbraw/zinc/70/22/80/558702280.db2.gz FDQHVZOJFAIGJN-UHFFFAOYSA-N -1 0 424.500 5.910 50 0 HKAARM Cn1cc(C(c2cn(C)c3ccccc23)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000015016668 558702267 /nfs/dbraw/zinc/70/22/67/558702267.db2.gz GAHHVMSKNWJGEO-UHFFFAOYSA-N -1 0 424.500 5.314 50 0 HKAARM CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015081446 558719124 /nfs/dbraw/zinc/71/91/24/558719124.db2.gz NYHKZJWVCRZZFE-KRWDZBQOSA-N -1 0 407.491 5.375 50 0 HKAARM CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015081448 558719171 /nfs/dbraw/zinc/71/91/71/558719171.db2.gz NYHKZJWVCRZZFE-QGZVFWFLSA-N -1 0 407.491 5.375 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cccc(Cl)c1 ZINC000015081492 558719099 /nfs/dbraw/zinc/71/90/99/558719099.db2.gz JPBFGVNNBZURPG-CQSZACIVSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cccc(Cl)c1 ZINC000015081495 558719192 /nfs/dbraw/zinc/71/91/92/558719192.db2.gz JPBFGVNNBZURPG-AWEZNQCLSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(F)cc1F ZINC000015081844 558719417 /nfs/dbraw/zinc/71/94/17/558719417.db2.gz HBQYIJFTCRWWCL-CYBMUJFWSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(F)cc1F ZINC000015081846 558719393 /nfs/dbraw/zinc/71/93/93/558719393.db2.gz HBQYIJFTCRWWCL-ZDUSSCGKSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cc(F)cc(F)c1 ZINC000015081848 558719420 /nfs/dbraw/zinc/71/94/20/558719420.db2.gz POXAXAOCXQMSMH-CQSZACIVSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cc(F)cc(F)c1 ZINC000015081850 558719399 /nfs/dbraw/zinc/71/93/99/558719399.db2.gz POXAXAOCXQMSMH-AWEZNQCLSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1c(F)cccc1Cl ZINC000015082269 558719403 /nfs/dbraw/zinc/71/94/03/558719403.db2.gz UTSBTBBSMCVTKB-LLVKDONJSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1c(F)cccc1Cl ZINC000015082271 558719346 /nfs/dbraw/zinc/71/93/46/558719346.db2.gz UTSBTBBSMCVTKB-NSHDSACASA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cccc(F)c1F ZINC000015082327 558719367 /nfs/dbraw/zinc/71/93/67/558719367.db2.gz IZBYTNYQJFQUNN-GFCCVEGCSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cccc(F)c1F ZINC000015082328 558719550 /nfs/dbraw/zinc/71/95/50/558719550.db2.gz IZBYTNYQJFQUNN-LBPRGKRZSA-N -1 0 403.381 5.005 50 0 HKAARM CSc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000015082751 558719616 /nfs/dbraw/zinc/71/96/16/558719616.db2.gz VUBMRLSHVWBVFZ-HNNXBMFYSA-N -1 0 413.495 5.448 50 0 HKAARM CSc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000015082753 558719612 /nfs/dbraw/zinc/71/96/12/558719612.db2.gz VUBMRLSHVWBVFZ-OAHLLOKOSA-N -1 0 413.495 5.448 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cc(F)ccc1F ZINC000015082790 558719576 /nfs/dbraw/zinc/71/95/76/558719576.db2.gz LAOXXGOFERTBNY-CYBMUJFWSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cc(F)ccc1F ZINC000015082792 558719581 /nfs/dbraw/zinc/71/95/81/558719581.db2.gz LAOXXGOFERTBNY-ZDUSSCGKSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1c(F)cccc1Cl ZINC000015082795 558719610 /nfs/dbraw/zinc/71/96/10/558719610.db2.gz VPBMTMNTDWWLBB-LLVKDONJSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1c(F)cccc1Cl ZINC000015082797 558719591 /nfs/dbraw/zinc/71/95/91/558719591.db2.gz VPBMTMNTDWWLBB-NSHDSACASA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F ZINC000015107125 558723249 /nfs/dbraw/zinc/72/32/49/558723249.db2.gz NQXCFQNWICODHT-CYBMUJFWSA-N -1 0 417.408 5.606 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccccc1C(F)(F)F ZINC000015107126 558723200 /nfs/dbraw/zinc/72/32/00/558723200.db2.gz NQXCFQNWICODHT-ZDUSSCGKSA-N -1 0 417.408 5.606 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000015107128 558723253 /nfs/dbraw/zinc/72/32/53/558723253.db2.gz BNIHDJJMIBYPSI-CQSZACIVSA-N -1 0 417.408 5.606 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000015107130 558723246 /nfs/dbraw/zinc/72/32/46/558723246.db2.gz BNIHDJJMIBYPSI-AWEZNQCLSA-N -1 0 417.408 5.606 50 0 HKAARM COc1ccc(/C=C/c2nc(-c3ccccc3)nc(-c3ccccc3[O-])n2)cc1OC ZINC000015109398 558723664 /nfs/dbraw/zinc/72/36/64/558723664.db2.gz KSNAZRODYRCXHM-FYWRMAATSA-N -1 0 411.461 5.099 50 0 HKAARM O=C(Nc1ccccc1)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000015348632 568877504 /nfs/dbraw/zinc/87/75/04/568877504.db2.gz DYCFDWMXCLUHEW-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM CC(C)(C)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000015421259 558739465 /nfs/dbraw/zinc/73/94/65/558739465.db2.gz ZVBALFJUZYPEGM-UHFFFAOYSA-N -1 0 414.552 5.099 50 0 HKAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccccc2c1 ZINC000015446478 569004913 /nfs/dbraw/zinc/00/49/13/569004913.db2.gz XWRGISZRUVIDKT-RUZDIDTESA-N -1 0 423.468 5.504 50 0 HKAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)s2)c1=O ZINC000015671480 568962095 /nfs/dbraw/zinc/96/20/95/568962095.db2.gz MVFWPAWPEPNTES-UHFFFAOYSA-N -1 0 418.950 5.208 50 0 HKAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)s2)c1=O ZINC000015671489 568962068 /nfs/dbraw/zinc/96/20/68/568962068.db2.gz BMNQGTFUOGYTGR-UHFFFAOYSA-N -1 0 418.950 5.208 50 0 HKAARM CCc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(CCC(C)C)c3=O)nc2C)cc1 ZINC000015671521 568961970 /nfs/dbraw/zinc/96/19/70/568961970.db2.gz LDAZHEXZNICLHU-UHFFFAOYSA-N -1 0 412.559 5.055 50 0 HKAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1cccc(Cl)c1 ZINC000015671524 568961824 /nfs/dbraw/zinc/96/18/24/568961824.db2.gz CFMSYCCUVMUEOO-UHFFFAOYSA-N -1 0 418.950 5.146 50 0 HKAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1cccc(C)c1C ZINC000015671531 568961786 /nfs/dbraw/zinc/96/17/86/568961786.db2.gz MTKGUSITIXDOPO-UHFFFAOYSA-N -1 0 412.559 5.109 50 0 HKAARM Cc1ccc(-c2[nH]nc3nc(-c4ccc(Br)cc4)cc(C(=O)[O-])c32)cc1 ZINC000015677200 558748851 /nfs/dbraw/zinc/74/88/51/558748851.db2.gz YDLSJRFAMZMNCS-UHFFFAOYSA-N -1 0 408.255 5.061 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000015677224 568965132 /nfs/dbraw/zinc/96/51/32/568965132.db2.gz OYANLQBKJVTZLS-UHFFFAOYSA-N -1 0 402.212 5.436 50 0 HKAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1ccc(C)c(C)c1 ZINC000015858762 569014988 /nfs/dbraw/zinc/01/49/88/569014988.db2.gz ANZKQVWEBLPEBL-UHFFFAOYSA-N -1 0 412.559 5.109 50 0 HKAARM Cc1nc(SCC(=O)c2ccc(F)c(F)c2)[n-]c(=O)c1Oc1ccc(Cl)cc1 ZINC000015924096 558762145 /nfs/dbraw/zinc/76/21/45/558762145.db2.gz RSEGMMQFOLNAOS-UHFFFAOYSA-N -1 0 422.840 5.190 50 0 HKAARM O=C1S/C(=C\c2cc(Br)cc(Cl)c2[O-])C(=O)N1c1ccccc1 ZINC000015938391 558763029 /nfs/dbraw/zinc/76/30/29/558763029.db2.gz SFMGKYUQWOKJDC-QPEQYQDCSA-N -1 0 410.676 5.049 50 0 HKAARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 ZINC000016250035 569030340 /nfs/dbraw/zinc/03/03/40/569030340.db2.gz DBZLMVFREYPVIW-XDHOZWIPSA-N -1 0 420.852 5.413 50 0 HKAARM CCCc1sc(N(C(=O)CC)c2ccc(C(=O)[O-])cc2)nc1-c1ccc(OC)cc1 ZINC000016285812 558783723 /nfs/dbraw/zinc/78/37/23/558783723.db2.gz FQBXAAJZZLGXBR-UHFFFAOYSA-N -1 0 424.522 5.544 50 0 HKAARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cccc(F)c2)o1 ZINC000016694580 569070776 /nfs/dbraw/zinc/07/07/76/569070776.db2.gz GLCRQTOXLCLKML-BOPFTXTBSA-N -1 0 424.815 5.243 50 0 HKAARM O=C([O-])CCCCCCCCCCCCCCCCC(=O)OCc1ccccc1 ZINC000016698263 558801348 /nfs/dbraw/zinc/80/13/48/558801348.db2.gz XVVPERDGHHTWJI-UHFFFAOYSA-N -1 0 404.591 7.056 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Cl)cc1Cl ZINC000016780415 558806808 /nfs/dbraw/zinc/80/68/08/558806808.db2.gz NDBYUWHKFAEAJW-UHFFFAOYSA-N -1 0 418.305 5.109 50 0 HKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000016780621 558806999 /nfs/dbraw/zinc/80/69/99/558806999.db2.gz BLNMEKOZVZBGLA-UHFFFAOYSA-N -1 0 412.349 5.080 50 0 HKAARM Cc1ccc(-c2onc3ccc(-c4cc(C(=O)[O-])c5cc(C(C)C)ccc5n4)cc32)cc1 ZINC000016789775 569263133 /nfs/dbraw/zinc/26/31/33/569263133.db2.gz IAZOAIJUHSZOTE-UHFFFAOYSA-N -1 0 422.484 6.840 50 0 HKAARM CCc1ccc2nc(-c3ccc4noc(-c5ccc(C)cc5)c4c3)cc(C(=O)[O-])c2c1 ZINC000016789777 558807219 /nfs/dbraw/zinc/80/72/19/558807219.db2.gz IXFRPCYHPLCRBR-UHFFFAOYSA-N -1 0 408.457 6.279 50 0 HKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCC2=CCCCC2)c1 ZINC000016955796 558809994 /nfs/dbraw/zinc/80/99/94/558809994.db2.gz PBEPZQDRILMBBS-UHFFFAOYSA-N -1 0 422.554 5.041 50 0 HKAARM Cc1nc2c(-c3ccccc3)c(COc3ccccc3)[n-]n2c(=O)c1Cc1ccccc1 ZINC000017027975 558812265 /nfs/dbraw/zinc/81/22/65/558812265.db2.gz YYJXXSMIHPYQRQ-UHFFFAOYSA-N -1 0 421.500 5.168 50 0 HKAARM O=c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(COc3ccccc3)[n-]n21 ZINC000017028371 558812198 /nfs/dbraw/zinc/81/21/98/558812198.db2.gz XHNWMJCYPKBJDQ-UHFFFAOYSA-N -1 0 407.473 5.272 50 0 HKAARM CCCCc1ccc(-c2csc(NC(=O)CC3(CC(=O)[O-])CCCC3)n2)cc1 ZINC000017082031 558814049 /nfs/dbraw/zinc/81/40/49/558814049.db2.gz HLOXCLDUWSFDBW-UHFFFAOYSA-N -1 0 400.544 5.516 50 0 HKAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017082879 558815182 /nfs/dbraw/zinc/81/51/82/558815182.db2.gz QVTFWVLBZLKRIL-ZWKOTPCHSA-N -1 0 404.491 5.083 50 0 HKAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017082880 558815236 /nfs/dbraw/zinc/81/52/36/558815236.db2.gz QVTFWVLBZLKRIL-ROUUACIJSA-N -1 0 404.491 5.083 50 0 HKAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017082881 558815231 /nfs/dbraw/zinc/81/52/31/558815231.db2.gz QVTFWVLBZLKRIL-QZTJIDSGSA-N -1 0 404.491 5.083 50 0 HKAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017082882 558815188 /nfs/dbraw/zinc/81/51/88/558815188.db2.gz QVTFWVLBZLKRIL-MSOLQXFVSA-N -1 0 404.491 5.083 50 0 HKAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017087379 558816194 /nfs/dbraw/zinc/81/61/94/558816194.db2.gz KOVJHBITWRXZFU-ZWKOTPCHSA-N -1 0 406.507 5.307 50 0 HKAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017087380 558816215 /nfs/dbraw/zinc/81/62/15/558816215.db2.gz KOVJHBITWRXZFU-ROUUACIJSA-N -1 0 406.507 5.307 50 0 HKAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017087381 558816242 /nfs/dbraw/zinc/81/62/42/558816242.db2.gz KOVJHBITWRXZFU-QZTJIDSGSA-N -1 0 406.507 5.307 50 0 HKAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017087382 558816238 /nfs/dbraw/zinc/81/62/38/558816238.db2.gz KOVJHBITWRXZFU-MSOLQXFVSA-N -1 0 406.507 5.307 50 0 HKAARM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(Cl)c1Cl ZINC000017088390 560863397 /nfs/dbraw/zinc/86/33/97/560863397.db2.gz KIGJAYARNSODAH-UHFFFAOYSA-N -1 0 410.109 5.133 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017088779 558817474 /nfs/dbraw/zinc/81/74/74/558817474.db2.gz LUZPWWQCBNURSF-NEPJUHHUSA-N -1 0 411.310 5.031 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017088780 558817476 /nfs/dbraw/zinc/81/74/76/558817476.db2.gz LUZPWWQCBNURSF-RYUDHWBXSA-N -1 0 411.310 5.031 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017088781 558817495 /nfs/dbraw/zinc/81/74/95/558817495.db2.gz LUZPWWQCBNURSF-VXGBXAGGSA-N -1 0 411.310 5.031 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017088782 558817454 /nfs/dbraw/zinc/81/74/54/558817454.db2.gz LUZPWWQCBNURSF-NWDGAFQWSA-N -1 0 411.310 5.031 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017089476 558818196 /nfs/dbraw/zinc/81/81/96/558818196.db2.gz RZCULIOYWJHJBD-NEPJUHHUSA-N -1 0 413.326 5.255 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017089477 558818156 /nfs/dbraw/zinc/81/81/56/558818156.db2.gz RZCULIOYWJHJBD-RYUDHWBXSA-N -1 0 413.326 5.255 50 0 HKAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017089478 558818154 /nfs/dbraw/zinc/81/81/54/558818154.db2.gz RZCULIOYWJHJBD-VXGBXAGGSA-N -1 0 413.326 5.255 50 0 HKAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017089479 558818205 /nfs/dbraw/zinc/81/82/05/558818205.db2.gz RZCULIOYWJHJBD-NWDGAFQWSA-N -1 0 413.326 5.255 50 0 HKAARM O=C([O-])CC1(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)CCCC1 ZINC000017089480 558818179 /nfs/dbraw/zinc/81/81/79/558818179.db2.gz XESPOIWEEUOYEG-UHFFFAOYSA-N -1 0 413.326 5.481 50 0 HKAARM O=C([O-])CC1(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)CCCC1 ZINC000017089481 558818168 /nfs/dbraw/zinc/81/81/68/558818168.db2.gz PAHGEABZMCVJCG-UHFFFAOYSA-N -1 0 413.326 5.481 50 0 HKAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)cc1 ZINC000017092842 558821230 /nfs/dbraw/zinc/82/12/30/558821230.db2.gz LRKOITYYWYEYTN-CQSZACIVSA-N -1 0 421.925 5.038 50 0 HKAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)cc1 ZINC000017092843 558821247 /nfs/dbraw/zinc/82/12/47/558821247.db2.gz LRKOITYYWYEYTN-AWEZNQCLSA-N -1 0 421.925 5.038 50 0 HKAARM O=c1c(Sc2ccc(Cl)cc2)c([O-])nc(-c2ccccc2)n1-c1ccccc1 ZINC000017112024 558822640 /nfs/dbraw/zinc/82/26/40/558822640.db2.gz MQTBQPNFQUQATN-UHFFFAOYSA-N -1 0 406.894 5.410 50 0 HKAARM O=c1cc([O-])c2sc3nc(C45CC6CC(CC(C6)C4)C5)cc(C(F)(F)F)c3c2[nH]1 ZINC000017147048 569275588 /nfs/dbraw/zinc/27/55/88/569275588.db2.gz IUGSRUNHUVSORL-UHFFFAOYSA-N -1 0 420.456 5.330 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000017185587 569357177 /nfs/dbraw/zinc/35/71/77/569357177.db2.gz PBSOPSDEYNTFAZ-QHQHMAFLSA-N -1 0 404.591 5.688 50 0 HKAARM CSc1nc(=O)c2sc3nc(-c4ccccc4)c4c(c3c2[n-]1)CC(C)(C)OC4 ZINC000017195764 560703479 /nfs/dbraw/zinc/70/34/79/560703479.db2.gz UIUVXIGPKILQDD-UHFFFAOYSA-N -1 0 409.536 5.185 50 0 HKAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000017196562 558825580 /nfs/dbraw/zinc/82/55/80/558825580.db2.gz WAZXFAOOFCVFHY-UHFFFAOYSA-N -1 0 405.457 6.538 50 0 HKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(Cl)c2)c1 ZINC000017207154 569276639 /nfs/dbraw/zinc/27/66/39/569276639.db2.gz RGUPXRQPJKBCJS-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(C)cc(C)c2)c1 ZINC000017208917 560704112 /nfs/dbraw/zinc/70/41/12/560704112.db2.gz GWMLIRNLIHFBPA-UHFFFAOYSA-N -1 0 418.522 5.099 50 0 HKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2Cl)c1 ZINC000017246951 560704813 /nfs/dbraw/zinc/70/48/13/560704813.db2.gz QPFYZAFTGSZOBQ-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)cc2)c1 ZINC000017247412 560704797 /nfs/dbraw/zinc/70/47/97/560704797.db2.gz LZRWUQAQHFXHPQ-UHFFFAOYSA-N -1 0 424.913 5.136 50 0 HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000017299315 569357178 /nfs/dbraw/zinc/35/71/78/569357178.db2.gz FCQRLHQHKFKTQE-VUDSHFTHSA-N -1 0 418.618 6.078 50 0 HKAARM CCCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nc3ccccc3s1)c2=O ZINC000017729319 569364553 /nfs/dbraw/zinc/36/45/53/569364553.db2.gz YXVLIGBPYAWNQK-UHFFFAOYSA-N -1 0 405.397 5.747 50 0 HKAARM O=C([O-])c1ccc(Cl)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000018193607 560782142 /nfs/dbraw/zinc/78/21/42/560782142.db2.gz PQSQCRCGKOIMAD-UHFFFAOYSA-N -1 0 404.702 5.217 50 0 HKAARM O=C([O-])CSc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000018193706 560782141 /nfs/dbraw/zinc/78/21/41/560782141.db2.gz WDHQPHNAGHJFKA-UHFFFAOYSA-N -1 0 416.351 5.042 50 0 HKAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000018195705 560782316 /nfs/dbraw/zinc/78/23/16/560782316.db2.gz RPNHLUHQRLZKQY-UHFFFAOYSA-N -1 0 409.200 5.046 50 0 HKAARM COc1ccc(/C=C2\C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000019229878 558853665 /nfs/dbraw/zinc/85/36/65/558853665.db2.gz GAPWIIRKBBTHQT-VJSYINPZSA-N -1 0 401.506 6.091 50 0 HKAARM COc1ccc(/C=C2\C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000019229879 558853581 /nfs/dbraw/zinc/85/35/81/558853581.db2.gz GAPWIIRKBBTHQT-KJCUYJGMSA-N -1 0 401.506 6.091 50 0 HKAARM CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc3c(c2)OCO3)C1 ZINC000019229880 558853547 /nfs/dbraw/zinc/85/35/47/558853547.db2.gz AUMBAGOVHVKCGZ-BRVCPTFNSA-N -1 0 415.489 5.811 50 0 HKAARM CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc3c(c2)OCO3)C1 ZINC000019229881 558853591 /nfs/dbraw/zinc/85/35/91/558853591.db2.gz AUMBAGOVHVKCGZ-KGZWWPETSA-N -1 0 415.489 5.811 50 0 HKAARM CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(Cl)cc2)C1 ZINC000019229882 558853544 /nfs/dbraw/zinc/85/35/44/558853544.db2.gz UGFOTXAVNSQNBM-NWNNTGRJSA-N -1 0 405.925 6.736 50 0 HKAARM CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(Cl)cc2)C1 ZINC000019229883 558853566 /nfs/dbraw/zinc/85/35/66/558853566.db2.gz UGFOTXAVNSQNBM-MOKGIYGOSA-N -1 0 405.925 6.736 50 0 HKAARM CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(Cl)c2)C1 ZINC000019229884 558853612 /nfs/dbraw/zinc/85/36/12/558853612.db2.gz NWARGEGVLYRRED-ABPVARSCSA-N -1 0 405.925 6.736 50 0 HKAARM CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(Cl)c2)C1 ZINC000019229885 558853609 /nfs/dbraw/zinc/85/36/09/558853609.db2.gz NWARGEGVLYRRED-YTBHAWNYSA-N -1 0 405.925 6.736 50 0 HKAARM Cc1cc(C)c2oc(-c3cc(Br)c([O-])c(Br)c3)cc(=O)c2c1 ZINC000019688952 569428375 /nfs/dbraw/zinc/42/83/75/569428375.db2.gz CUUSEXUAXBVMGW-UHFFFAOYSA-N -1 0 424.088 5.307 50 0 HKAARM Cc1ccc(Nc2c(C(=O)[O-])cnc3c(C)c(Cl)ccc32)cc1Br ZINC000019793881 569430107 /nfs/dbraw/zinc/43/01/07/569430107.db2.gz POCQBMQGLRQYOT-UHFFFAOYSA-N -1 0 405.679 5.131 50 0 HKAARM CCc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\[C@@H](CC(C)C)C(=O)[O-])c2c1 ZINC000019793968 569429987 /nfs/dbraw/zinc/42/99/87/569429987.db2.gz GPDBZEHGXHPIDN-HOIQBIFOSA-N -1 0 423.509 5.079 50 0 HKAARM CCc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\[C@H](CC(C)C)C(=O)[O-])c2c1 ZINC000019793969 569429979 /nfs/dbraw/zinc/42/99/79/569429979.db2.gz GPDBZEHGXHPIDN-KHKYUJEISA-N -1 0 423.509 5.079 50 0 HKAARM O=C([O-])c1ccccc1Sc1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000019801280 558285629 /nfs/dbraw/zinc/28/56/29/558285629.db2.gz SQTJYPQVUHOFMI-UHFFFAOYSA-N -1 0 415.470 5.060 50 0 HKAARM COc1cc(/C=C/C(=O)[O-])ccc1OCCCCSc1ccc(C(C)C)cc1 ZINC000019891635 558303211 /nfs/dbraw/zinc/30/32/11/558303211.db2.gz PSBKNODGJKPGCY-NTUHNPAUSA-N -1 0 400.540 5.868 50 0 HKAARM Cc1ccc2oc(-c3ccc(C(C)C)cc3)c/c(=N\[C@@H](C(=O)[O-])c3ccccc3)c2c1 ZINC000019911699 568585695 /nfs/dbraw/zinc/58/56/95/568585695.db2.gz DGLZJVRRKRIOOI-HRSXBQGWSA-N -1 0 411.501 6.258 50 0 HKAARM Cc1ccc2oc(-c3ccc(C(C)C)cc3)c/c(=N\[C@H](C(=O)[O-])c3ccccc3)c2c1 ZINC000019911703 568585732 /nfs/dbraw/zinc/58/57/32/568585732.db2.gz DGLZJVRRKRIOOI-DTDJFFANSA-N -1 0 411.501 6.258 50 0 HKAARM Cc1ccc(C(/C(Br)=C(\Br)C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000019912450 558306795 /nfs/dbraw/zinc/30/67/95/558306795.db2.gz VVHRKYDNQFFRCL-WUKNDPDISA-N -1 0 424.132 5.521 50 0 HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H]([C@@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000020028381 569357650 /nfs/dbraw/zinc/35/76/50/569357650.db2.gz FCQRLHQHKFKTQE-UEMRKDICSA-N -1 0 418.618 6.078 50 0 HKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000020095181 558331035 /nfs/dbraw/zinc/33/10/35/558331035.db2.gz KWBPQMPYHHFYSQ-UHFFFAOYSA-N -1 0 402.233 5.736 50 0 HKAARM O=C([O-])c1cc(-c2ccc(OC(F)F)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000020134834 568589856 /nfs/dbraw/zinc/58/98/56/568589856.db2.gz ACVYUVNJDQZRSO-UHFFFAOYSA-N -1 0 415.783 5.245 50 0 HKAARM O=C([O-])c1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1Cl ZINC000020143618 526349704 /nfs/dbraw/zinc/34/97/04/526349704.db2.gz WNJVIYBQAOVPJD-UHFFFAOYSA-N -1 0 419.820 5.064 50 0 HKAARM CCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000020155618 519928569 /nfs/dbraw/zinc/92/85/69/519928569.db2.gz AIGNOEBPJVTKSC-UHFFFAOYSA-N -1 0 424.806 5.134 50 0 HKAARM O=c1c2c3c(sc2[n-]c(=S)n1C1CCCCC1)CN(Cc1ccccc1)CC3 ZINC000020158691 558342356 /nfs/dbraw/zinc/34/23/56/558342356.db2.gz DPLKFYAMDWWOHS-UHFFFAOYSA-N -1 0 411.596 5.184 50 0 HKAARM CCOc1ccc2nc([N-]c3ncnc4onc(-c5ccc(Cl)cc5)c43)sc2c1 ZINC000020330007 568599016 /nfs/dbraw/zinc/59/90/16/568599016.db2.gz XISQGGMGYCUGBG-UHFFFAOYSA-N -1 0 423.885 5.690 50 0 HKAARM Cc1ccc(C2N=NC(=S)N2c2ccc3c(c2)sc(C(=O)[O-])c3Cl)cc1 ZINC000020394253 558359374 /nfs/dbraw/zinc/35/93/74/558359374.db2.gz MBEZJQCOGOYASL-UHFFFAOYSA-N -1 0 401.900 5.098 50 0 HKAARM Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C)c(C)c3)cc(C(=O)[O-])c2)cc1C ZINC000020394540 526219347 /nfs/dbraw/zinc/21/93/47/526219347.db2.gz VUVUAYPASCLDIU-UHFFFAOYSA-N -1 0 416.477 5.123 50 0 HKAARM Cc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc1 ZINC000020492084 568614848 /nfs/dbraw/zinc/61/48/48/568614848.db2.gz ZSKVLMBZFPQPHV-UHFFFAOYSA-N -1 0 408.255 5.061 50 0 HKAARM Cc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)c1 ZINC000020492086 558378221 /nfs/dbraw/zinc/37/82/21/558378221.db2.gz JLJBIWMFHGAQAQ-UHFFFAOYSA-N -1 0 408.255 5.061 50 0 HKAARM O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000020492217 568614898 /nfs/dbraw/zinc/61/48/98/568614898.db2.gz JQODXOYYGWKTGV-UHFFFAOYSA-N -1 0 417.774 5.662 50 0 HKAARM COc1ccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492221 568614926 /nfs/dbraw/zinc/61/49/26/568614926.db2.gz MCVRWPIOVWKEMV-UHFFFAOYSA-N -1 0 413.355 5.018 50 0 HKAARM CCc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc1 ZINC000020492225 568614868 /nfs/dbraw/zinc/61/48/68/568614868.db2.gz KVQYUHPSAKLSIB-UHFFFAOYSA-N -1 0 422.282 5.315 50 0 HKAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(Br)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492336 568614931 /nfs/dbraw/zinc/61/49/31/568614931.db2.gz YCCDNSODKWSUOT-UHFFFAOYSA-N -1 0 422.282 5.315 50 0 HKAARM CCc1ccc(-c2[nH]nc3nc(-c4cccc(Br)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492338 558378535 /nfs/dbraw/zinc/37/85/35/558378535.db2.gz ICLOXKIELCFJTK-UHFFFAOYSA-N -1 0 422.282 5.315 50 0 HKAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492367 523852585 /nfs/dbraw/zinc/85/25/85/523852585.db2.gz SHYNPNVSBJAYMF-UHFFFAOYSA-N -1 0 411.383 5.571 50 0 HKAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(OC(F)F)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492391 568614936 /nfs/dbraw/zinc/61/49/36/568614936.db2.gz DBQJMTMHTNFDPZ-UHFFFAOYSA-N -1 0 409.392 5.154 50 0 HKAARM O=C([O-])c1cccc(NC(=O)c2ccc(COc3ccc(-c4ccccc4)cc3)o2)c1 ZINC000020530417 558383962 /nfs/dbraw/zinc/38/39/62/558383962.db2.gz ZCBSXUTVQQXDTE-UHFFFAOYSA-N -1 0 413.429 5.476 50 0 HKAARM O=C(Nc1cccc(Cl)c1Cl)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000020568102 527346806 /nfs/dbraw/zinc/34/68/06/527346806.db2.gz TTXCPGKFJCTIOF-UHFFFAOYSA-N -1 0 421.305 5.047 50 0 HKAARM COc1ccccc1-c1cc(C(F)F)c2c(C)nn(-c3ccc(C(=O)[O-])cc3)c2n1 ZINC000020603685 524267596 /nfs/dbraw/zinc/26/75/96/524267596.db2.gz CECYMUKIBAXUJN-UHFFFAOYSA-N -1 0 409.392 5.040 50 0 HKAARM COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)cc1 ZINC000020603687 523105924 /nfs/dbraw/zinc/10/59/24/523105924.db2.gz OWBDVJYPUNCZRS-UHFFFAOYSA-N -1 0 409.392 5.040 50 0 HKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c12 ZINC000020603690 527522140 /nfs/dbraw/zinc/52/21/40/527522140.db2.gz MTSNDYPLYATRAP-UHFFFAOYSA-N -1 0 407.420 5.649 50 0 HKAARM COc1cccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)c1 ZINC000020603695 525705228 /nfs/dbraw/zinc/70/52/28/525705228.db2.gz PPYBFPAXGKJXKW-UHFFFAOYSA-N -1 0 409.392 5.040 50 0 HKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020603701 527521674 /nfs/dbraw/zinc/52/16/74/527521674.db2.gz DYDIPTVQVBAXRO-UHFFFAOYSA-N -1 0 413.811 5.685 50 0 HKAARM Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)s1 ZINC000020604402 558386802 /nfs/dbraw/zinc/38/68/02/558386802.db2.gz XPCMCLYINJWGHK-UHFFFAOYSA-N -1 0 417.412 5.483 50 0 HKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c12 ZINC000020604408 558386798 /nfs/dbraw/zinc/38/67/98/558386798.db2.gz HHYAKBCGUYQYGQ-UHFFFAOYSA-N -1 0 411.383 5.421 50 0 HKAARM CCc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)cc1 ZINC000020615171 558392280 /nfs/dbraw/zinc/39/22/80/558392280.db2.gz CIQOZZNWCLBXAJ-UHFFFAOYSA-N -1 0 407.420 5.594 50 0 HKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000020615498 558392546 /nfs/dbraw/zinc/39/25/46/558392546.db2.gz BOEYKJCWJUWOEL-UHFFFAOYSA-N -1 0 415.346 5.252 50 0 HKAARM Fc1ccc(-c2n[n-]c(=S)n2-c2cccc3ncccc32)cc1Br ZINC000020721879 558403126 /nfs/dbraw/zinc/40/31/26/558403126.db2.gz HFBFAFQWGOSZQZ-UHFFFAOYSA-N -1 0 401.264 5.047 50 0 HKAARM O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(C(F)(F)F)c3)[nH]2)cc1 ZINC000020806856 568644093 /nfs/dbraw/zinc/64/40/93/568644093.db2.gz VQCLSGGLTZZJLB-UHFFFAOYSA-N -1 0 408.379 6.128 50 0 HKAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c32)c1 ZINC000020850279 568644968 /nfs/dbraw/zinc/64/49/68/568644968.db2.gz LFALVOPCIFCPBF-UHFFFAOYSA-N -1 0 413.355 5.018 50 0 HKAARM COc1cccc(CNc2cc(C(=O)[O-])ccc2Cl)c1OCc1ccccc1F ZINC000020880411 558419759 /nfs/dbraw/zinc/41/97/59/558419759.db2.gz GOXBXGYTPVEZIK-UHFFFAOYSA-N -1 0 415.848 5.377 50 0 HKAARM CCOc1cc(CNc2cc(C(=O)[O-])ccc2Cl)ccc1OCc1ccccc1 ZINC000020880454 558419740 /nfs/dbraw/zinc/41/97/40/558419740.db2.gz PAPPMKISQIMGQA-UHFFFAOYSA-N -1 0 411.885 5.628 50 0 HKAARM Cc1ccc(-c2[nH]nc3nc(-c4cccc(Br)c4)cc(C(=O)[O-])c32)cc1 ZINC000020904217 568650560 /nfs/dbraw/zinc/65/05/60/568650560.db2.gz ONBDYOAQHRIDIW-UHFFFAOYSA-N -1 0 408.255 5.061 50 0 HKAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)s2)on1 ZINC000020978291 568654221 /nfs/dbraw/zinc/65/42/21/568654221.db2.gz KJIREPSKAFEBJO-UHFFFAOYSA-N -1 0 422.837 5.185 50 0 HKAARM Cc1ccc(-c2cc(-c3ccccc3)nc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000021151066 568672408 /nfs/dbraw/zinc/67/24/08/568672408.db2.gz NCHQIRBYPVNZPI-UHFFFAOYSA-N -1 0 415.518 5.228 50 0 HKAARM Cc1ccc(-c2cc(-c3ccccc3)nc([N-]S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000021151070 568672262 /nfs/dbraw/zinc/67/22/62/568672262.db2.gz IBVCIICMQKCVRT-UHFFFAOYSA-N -1 0 419.481 5.059 50 0 HKAARM COc1ccc(C)cc1-c1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)[O-] ZINC000021224966 558434072 /nfs/dbraw/zinc/43/40/72/558434072.db2.gz NAXAGPIWPKCVTH-UHFFFAOYSA-N -1 0 417.892 6.166 50 0 HKAARM Cc1ccccc1CSc1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000021524199 558440118 /nfs/dbraw/zinc/44/01/18/558440118.db2.gz XHYHCNITQSLMKO-UHFFFAOYSA-N -1 0 414.537 5.108 50 0 HKAARM Cc1cccc(CSc2nnc([N-]C(=O)c3cc(-c4cccs4)on3)s2)c1 ZINC000021524202 558440283 /nfs/dbraw/zinc/44/02/83/558440283.db2.gz XKUNDMHMLAFELH-UHFFFAOYSA-N -1 0 414.537 5.108 50 0 HKAARM Cc1ccc(CSc2nnc([N-]C(=O)c3cc(-c4cccs4)on3)s2)cc1 ZINC000021524204 558440264 /nfs/dbraw/zinc/44/02/64/558440264.db2.gz RQISDJWKKHQGQB-UHFFFAOYSA-N -1 0 414.537 5.108 50 0 HKAARM O=C([O-])C/C(=C/c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 ZINC000021540107 568466588 /nfs/dbraw/zinc/46/65/88/568466588.db2.gz MNEVNDWMLGHQKV-VBKFSLOCSA-N -1 0 421.905 6.757 50 0 HKAARM O=C([O-])C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)c1nc2ccccc2o1 ZINC000021742521 568467882 /nfs/dbraw/zinc/46/78/82/568467882.db2.gz XWHFGNGEOOITGE-XFFZJAGNSA-N -1 0 411.307 5.046 50 0 HKAARM CC(C)(C)c1ccc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000021954129 558456419 /nfs/dbraw/zinc/45/64/19/558456419.db2.gz KTWRTRPUYPGHPO-UXBLZVDNSA-N -1 0 410.311 6.163 50 0 HKAARM CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000022077305 558462812 /nfs/dbraw/zinc/46/28/12/558462812.db2.gz FSOMJFMIFPKSCB-BQYQJAHWSA-N -1 0 411.679 5.178 50 0 HKAARM O=C([O-])c1cc(/C=C/c2cccc(C(F)(F)F)c2)nc2ccc(Br)cc21 ZINC000022141837 558464653 /nfs/dbraw/zinc/46/46/53/558464653.db2.gz GNUUPQRQZLKZNH-GQCTYLIASA-N -1 0 422.200 5.885 50 0 HKAARM O=C([O-])c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc2ccc(Br)cc21 ZINC000022151027 558464923 /nfs/dbraw/zinc/46/49/23/558464923.db2.gz JWFVREZGXKNIHW-XVNBXDOJSA-N -1 0 422.200 5.885 50 0 HKAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c(Cl)c1 ZINC000022514275 568769095 /nfs/dbraw/zinc/76/90/95/568769095.db2.gz DHKGRYQHFOUKHG-UHFFFAOYSA-N -1 0 415.902 5.093 50 0 HKAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCc1ccccc1Cl ZINC000022638110 558503727 /nfs/dbraw/zinc/50/37/27/558503727.db2.gz IDDRZGYXCUTSOZ-BQYQJAHWSA-N -1 0 411.679 5.178 50 0 HKAARM Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023157240 559022260 /nfs/dbraw/zinc/02/22/60/559022260.db2.gz VDSKFSFLFIVCLY-OAQYLSRUSA-N -1 0 418.566 5.076 50 0 HKAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023157242 559022270 /nfs/dbraw/zinc/02/22/70/559022270.db2.gz VDSKFSFLFIVCLY-NRFANRHFSA-N -1 0 418.566 5.076 50 0 HKAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2Cl)c1 ZINC000024606128 558602664 /nfs/dbraw/zinc/60/26/64/558602664.db2.gz SOORNIWFOOWLOT-UHFFFAOYSA-N -1 0 414.914 5.010 50 0 HKAARM O=c1[n-]c(SCc2ccc(Cl)cc2)nnc1-c1cc(Cl)sc1Cl ZINC000024754763 558610225 /nfs/dbraw/zinc/61/02/25/558610225.db2.gz HBBUJWXUPQFFDH-UHFFFAOYSA-N -1 0 404.731 5.558 50 0 HKAARM Cc1sc2[nH]c(CN[C@H](C)c3cccc(Cl)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024984794 568710433 /nfs/dbraw/zinc/71/04/33/568710433.db2.gz PIPBAVNWUPNGRH-CQSZACIVSA-N -1 0 423.969 5.773 50 0 HKAARM Cc1sc2[nH]c(CN[C@@H](C)c3cccc(Cl)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024984798 568710234 /nfs/dbraw/zinc/71/02/34/568710234.db2.gz PIPBAVNWUPNGRH-AWEZNQCLSA-N -1 0 423.969 5.773 50 0 HKAARM O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000024992638 558626361 /nfs/dbraw/zinc/62/63/61/558626361.db2.gz QPYDDWYWHQOLQB-SFHVURJKSA-N -1 0 413.832 5.468 50 0 HKAARM O=C([O-])[C@H](CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000024992641 558626387 /nfs/dbraw/zinc/62/63/87/558626387.db2.gz QPYDDWYWHQOLQB-GOSISDBHSA-N -1 0 413.832 5.468 50 0 HKAARM Cn1cccc1[C@@H]1CCCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000025045554 558628063 /nfs/dbraw/zinc/62/80/63/558628063.db2.gz AXDMDWYJCYAPRK-SFHVURJKSA-N -1 0 424.957 5.393 50 0 HKAARM Cn1cccc1[C@H]1CCCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000025045562 558628021 /nfs/dbraw/zinc/62/80/21/558628021.db2.gz AXDMDWYJCYAPRK-GOSISDBHSA-N -1 0 424.957 5.393 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nn1-c1ccc(Br)cc1 ZINC000025781837 558649784 /nfs/dbraw/zinc/64/97/84/558649784.db2.gz MILCNIRRRIKDPP-UHFFFAOYSA-N -1 0 412.070 5.307 50 0 HKAARM O=c1[nH]c2cc(Cl)ccc2c([O-])c1-c1cccc(Sc2ccc(Cl)cc2)c1 ZINC000025782100 569286495 /nfs/dbraw/zinc/28/64/95/569286495.db2.gz KPQTWTKDQCMIFX-UHFFFAOYSA-N -1 0 414.313 6.359 50 0 HKAARM CCCOc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1 ZINC000026779567 558665211 /nfs/dbraw/zinc/66/52/11/558665211.db2.gz FUZUVVSUFPDFDT-UHFFFAOYSA-N -1 0 420.412 5.318 50 0 HKAARM O=C1S/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)N1c1ccccc1 ZINC000027519499 569328133 /nfs/dbraw/zinc/32/81/33/569328133.db2.gz UWKFSUZKPVWLGT-QPEQYQDCSA-N -1 0 410.676 5.049 50 0 HKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@@]21C ZINC000027519821 558673953 /nfs/dbraw/zinc/67/39/53/558673953.db2.gz YSWDCQJTPYALJE-YJNALILLSA-N -1 0 404.635 6.742 50 0 HKAARM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@@H](O)CC(=O)[O-] ZINC000027638827 569385566 /nfs/dbraw/zinc/38/55/66/569385566.db2.gz IBFIBMHGNMSQLB-HUDVFFLJSA-N -1 0 405.579 5.084 50 0 biogenic,in-vitro HKAARM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H](O)CC(=O)[O-] ZINC000027638834 569385582 /nfs/dbraw/zinc/38/55/82/569385582.db2.gz IBFIBMHGNMSQLB-NZRYSPDRSA-N -1 0 405.579 5.084 50 0 biogenic,in-vitro HKAARM Cc1cccc(CSc2nnc([N-]C(=O)c3cc(-c4ccccc4)on3)s2)c1 ZINC000027989763 558688132 /nfs/dbraw/zinc/68/81/32/558688132.db2.gz QRHWBGCNIRBNDO-UHFFFAOYSA-N -1 0 408.508 5.046 50 0 HKAARM Cc1ccc(-c2nsc([N-]C(=O)c3cc(-c4ccc5c(c4)CCCC5)on3)n2)s1 ZINC000028291181 558697368 /nfs/dbraw/zinc/69/73/68/558697368.db2.gz CSVWVLVCKZUPHA-UHFFFAOYSA-N -1 0 422.535 5.361 50 0 HKAARM Cc1ccc(-c2nsc([N-]C(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)s1 ZINC000028291184 558697363 /nfs/dbraw/zinc/69/73/63/558697363.db2.gz JNBRNXWSMUSMRP-UHFFFAOYSA-N -1 0 402.888 5.136 50 0 HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000028536877 558702061 /nfs/dbraw/zinc/70/20/61/558702061.db2.gz FCQRLHQHKFKTQE-HCTDMSSWSA-N -1 0 418.618 6.078 50 0 in-vitro HKAARM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)co1 ZINC000029433346 558715167 /nfs/dbraw/zinc/71/51/67/558715167.db2.gz AYAWITBHMVAARY-UHFFFAOYSA-N -1 0 416.808 5.123 50 0 HKAARM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc([O-])c(Cl)c1 ZINC000029793815 558721025 /nfs/dbraw/zinc/72/10/25/558721025.db2.gz YMANHEWLIKCKAT-UHFFFAOYSA-N -1 0 412.820 5.364 50 0 HKAARM [O-]c1ccccc1-c1nc(/C=C/c2ccccc2)nc(Nc2nc3ccccc3[nH]2)n1 ZINC000030947680 558746764 /nfs/dbraw/zinc/74/67/64/558746764.db2.gz RAIWPUFHCQTMOA-CCEZHUSRSA-N -1 0 406.449 5.035 50 0 HKAARM CC(C)n1ncc2cc(/C=C/c3cc(C(=O)[O-])c4ccc(F)cc4n3)c(Cl)nc21 ZINC000031855771 520078676 /nfs/dbraw/zinc/07/86/76/520078676.db2.gz GYDNXXIEXBKNQN-HWKANZROSA-N -1 0 410.836 5.222 50 0 HKAARM Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000032072355 526559414 /nfs/dbraw/zinc/55/94/14/526559414.db2.gz IKACEBCOINEWEX-UHFFFAOYSA-N -1 0 421.305 5.054 50 0 HKAARM Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000032094097 525661741 /nfs/dbraw/zinc/66/17/41/525661741.db2.gz TYBWZOZDZKYYLB-INIZCTEOSA-N -1 0 406.463 5.131 50 0 HKAARM Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000032094099 525661019 /nfs/dbraw/zinc/66/10/19/525661019.db2.gz TYBWZOZDZKYYLB-MRXNPFEDSA-N -1 0 406.463 5.131 50 0 HKAARM CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C(C)C)c1 ZINC000032601566 568509764 /nfs/dbraw/zinc/50/97/64/568509764.db2.gz RWUMNKWWLINEMN-UHFFFAOYSA-N -1 0 403.544 5.556 50 0 HKAARM O=C([O-])C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1 ZINC000032642070 527551209 /nfs/dbraw/zinc/55/12/09/527551209.db2.gz KRFDRGKRBQQYEB-RGEXLXHISA-N -1 0 401.487 5.891 50 0 HKAARM O=C([O-])C/C(=C/c1cccc(OCc2ccccc2)c1)c1nc2ccccc2s1 ZINC000032642077 527550851 /nfs/dbraw/zinc/55/08/51/527550851.db2.gz PAWZZZJJPFVBFE-UYRXBGFRSA-N -1 0 401.487 5.891 50 0 HKAARM C[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000032642105 524974247 /nfs/dbraw/zinc/97/42/47/524974247.db2.gz ZUUUWBUKJWBVGX-URLRMUCDSA-N -1 0 419.349 5.751 50 0 HKAARM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000032642109 525516497 /nfs/dbraw/zinc/51/64/97/525516497.db2.gz ZUUUWBUKJWBVGX-CUQRQBARSA-N -1 0 419.349 5.751 50 0 HKAARM CC(C)(C)c1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000032735935 519021397 /nfs/dbraw/zinc/02/13/97/519021397.db2.gz APJIUPQGHFYOMG-UHFFFAOYSA-N -1 0 414.552 5.099 50 0 HKAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3c(Cl)cccc3Cl)c12 ZINC000032885615 525667154 /nfs/dbraw/zinc/66/71/54/525667154.db2.gz GAWFIKJGTFKRDO-UHFFFAOYSA-N -1 0 400.308 5.195 50 0 HKAARM O=C(c1c([O-])c(Cl)cc(Cl)c1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000032914400 526578283 /nfs/dbraw/zinc/57/82/83/526578283.db2.gz CJHRLXYIZMPYOO-UHFFFAOYSA-N -1 0 424.715 5.249 50 0 HKAARM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=S)n3-c3ccccc3)C2)cc1 ZINC000032919384 519014981 /nfs/dbraw/zinc/01/49/81/519014981.db2.gz GYYCAKSNMPTWFL-GOSISDBHSA-N -1 0 420.582 5.247 50 0 HKAARM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=S)n3-c3ccccc3)C2)cc1 ZINC000032919386 519015767 /nfs/dbraw/zinc/01/57/67/519015767.db2.gz GYYCAKSNMPTWFL-SFHVURJKSA-N -1 0 420.582 5.247 50 0 HKAARM Cc1cccc(CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948403 524463289 /nfs/dbraw/zinc/46/32/89/524463289.db2.gz XYCWZRLNZYCXOJ-UHFFFAOYSA-N -1 0 411.577 5.414 50 0 HKAARM Cc1ccc(C)c(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c1 ZINC000032948513 524108446 /nfs/dbraw/zinc/10/84/46/524108446.db2.gz VSXJDPIIHGFBMU-UHFFFAOYSA-N -1 0 411.577 5.414 50 0 HKAARM Cc1ccc(-n2c3nc(SCc4cccc(C)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948581 525902979 /nfs/dbraw/zinc/90/29/79/525902979.db2.gz FHENKTSUWHKIAD-UHFFFAOYSA-N -1 0 411.577 5.414 50 0 HKAARM CCCN(CCC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(C)cc3)ccc2n1 ZINC000033010216 558829654 /nfs/dbraw/zinc/82/96/54/558829654.db2.gz WRGXQACEZSFMQV-UHFFFAOYSA-N -1 0 405.498 5.120 50 0 HKAARM CCCCN(CC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(C)cc3)ccc2n1 ZINC000033010231 558829607 /nfs/dbraw/zinc/82/96/07/558829607.db2.gz ZMQYYKNYBISBER-UHFFFAOYSA-N -1 0 405.498 5.120 50 0 HKAARM C[C@@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)C1 ZINC000033010298 558829580 /nfs/dbraw/zinc/82/95/80/558829580.db2.gz DVFBAUQRKWMCMG-CQSZACIVSA-N -1 0 423.900 5.075 50 0 HKAARM C[C@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)C1 ZINC000033010299 558829677 /nfs/dbraw/zinc/82/96/77/558829677.db2.gz DVFBAUQRKWMCMG-AWEZNQCLSA-N -1 0 423.900 5.075 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccccc1C(F)(F)F ZINC000033025723 568510542 /nfs/dbraw/zinc/51/05/42/568510542.db2.gz FBQIZCWMVXWVLG-UHFFFAOYSA-N -1 0 416.424 5.655 50 0 HKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033025735 558846593 /nfs/dbraw/zinc/84/65/93/558846593.db2.gz CKFWNSZOGTXBIX-UHFFFAOYSA-N -1 0 412.898 5.298 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccccc1F ZINC000033025794 558846723 /nfs/dbraw/zinc/84/67/23/558846723.db2.gz YSKBVGVFKZHIIF-UHFFFAOYSA-N -1 0 400.862 5.428 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000033025844 558846741 /nfs/dbraw/zinc/84/67/41/558846741.db2.gz LVBAQWDDVYMQGF-UHFFFAOYSA-N -1 0 400.862 5.428 50 0 HKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000033106119 558873847 /nfs/dbraw/zinc/87/38/47/558873847.db2.gz QBBOREXIBPRYNO-UHFFFAOYSA-N -1 0 412.898 5.298 50 0 HKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1-c1ccc2ccccc2n1 ZINC000033113748 558875512 /nfs/dbraw/zinc/87/55/12/558875512.db2.gz YJFCYCWONBDUAT-UHFFFAOYSA-N -1 0 424.909 5.365 50 0 HKAARM Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3F)ccc2c1 ZINC000033113768 558875531 /nfs/dbraw/zinc/87/55/31/558875531.db2.gz LXGVAYJKDPCKPS-UHFFFAOYSA-N -1 0 410.445 5.289 50 0 HKAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113769 558875435 /nfs/dbraw/zinc/87/54/35/558875435.db2.gz CEOUZENNJZDJHM-UHFFFAOYSA-N -1 0 416.502 5.214 50 0 HKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ccc3ccccc3n2)c1 ZINC000033113824 568511579 /nfs/dbraw/zinc/51/15/79/568511579.db2.gz BYUZHFSAVKWHQO-UHFFFAOYSA-N -1 0 424.909 5.365 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1Cl ZINC000033124017 558880018 /nfs/dbraw/zinc/88/00/18/558880018.db2.gz RACUBSSPMNXMNA-UHFFFAOYSA-N -1 0 400.912 5.418 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1F ZINC000033124024 558880009 /nfs/dbraw/zinc/88/00/09/558880009.db2.gz CRBUXRJPCFAUGZ-UHFFFAOYSA-N -1 0 402.447 5.042 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1F ZINC000033124036 558880266 /nfs/dbraw/zinc/88/02/66/558880266.db2.gz LEIWTHRCYFIBGZ-UHFFFAOYSA-N -1 0 418.902 5.557 50 0 HKAARM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000033124060 558880272 /nfs/dbraw/zinc/88/02/72/558880272.db2.gz IWNAUOUMPLNYJQ-UHFFFAOYSA-N -1 0 416.474 5.351 50 0 HKAARM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)n2)c(C)c1 ZINC000033140396 558892437 /nfs/dbraw/zinc/89/24/37/558892437.db2.gz NNVVWLHCUHAPFZ-UHFFFAOYSA-N -1 0 410.520 5.488 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccs1 ZINC000033169041 558898764 /nfs/dbraw/zinc/89/87/64/558898764.db2.gz IVYXVSQEFKECFS-UHFFFAOYSA-N -1 0 406.941 5.479 50 0 HKAARM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000033169126 526054711 /nfs/dbraw/zinc/05/47/11/526054711.db2.gz QCTYKDNQMJUGAT-UHFFFAOYSA-N -1 0 414.939 5.726 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1Cl ZINC000033169143 527246860 /nfs/dbraw/zinc/24/68/60/527246860.db2.gz JCYXTVIMZXPUPA-UHFFFAOYSA-N -1 0 418.902 5.557 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1cc(F)cc(F)c1 ZINC000033169149 527247168 /nfs/dbraw/zinc/24/71/68/527247168.db2.gz NYDGLOKXSNOYRM-UHFFFAOYSA-N -1 0 402.447 5.042 50 0 HKAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4Cl)cc3)sc2c1 ZINC000033169165 526242086 /nfs/dbraw/zinc/24/20/86/526242086.db2.gz FDAWTOITCBKIMA-UHFFFAOYSA-N -1 0 414.939 5.726 50 0 HKAARM O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)cc1)c1cccs1 ZINC000033169245 568511591 /nfs/dbraw/zinc/51/15/91/568511591.db2.gz BWXSOOXVUFEAQL-UHFFFAOYSA-N -1 0 406.941 5.479 50 0 HKAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(C)s2)n1 ZINC000033169438 558902779 /nfs/dbraw/zinc/90/27/79/558902779.db2.gz WGEOGUSTAQTRTE-UHFFFAOYSA-N -1 0 418.487 5.308 50 0 HKAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c(C)s2)n1 ZINC000033169454 558902717 /nfs/dbraw/zinc/90/27/17/558902717.db2.gz IDMXHHKHOAHYTF-UHFFFAOYSA-N -1 0 418.487 5.308 50 0 HKAARM CSc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)c1 ZINC000033169483 558902784 /nfs/dbraw/zinc/90/27/84/558902784.db2.gz PMNRNWQXJSCFRF-UHFFFAOYSA-N -1 0 410.611 5.320 50 0 HKAARM Cc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)c2)on1 ZINC000033169519 558902929 /nfs/dbraw/zinc/90/29/29/558902929.db2.gz NAWLMAONLCXXKQ-UHFFFAOYSA-N -1 0 422.837 5.185 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)cc1Cl ZINC000033173699 558901745 /nfs/dbraw/zinc/90/17/45/558901745.db2.gz QAHLTLCKJBISNJ-UHFFFAOYSA-N -1 0 422.837 5.185 50 0 HKAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)cc1 ZINC000033173706 558901768 /nfs/dbraw/zinc/90/17/68/558901768.db2.gz XNVSFKQDMNJACU-UHFFFAOYSA-N -1 0 416.446 5.346 50 0 HKAARM CC1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)CC1 ZINC000033260506 132781915 /nfs/dbraw/zinc/78/19/15/132781915.db2.gz BZMIQMGIXAORIF-UHFFFAOYSA-N -1 0 423.900 5.075 50 0 HKAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)c(C)c3)sc2c1 ZINC000033289295 559046656 /nfs/dbraw/zinc/04/66/56/559046656.db2.gz PNLQGTYRBIIOSF-UHFFFAOYSA-N -1 0 416.549 5.143 50 0 HKAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(C)nc4ccccc34)c(C)s2)n1 ZINC000033289944 571316124 /nfs/dbraw/zinc/31/61/24/571316124.db2.gz YEGUNSIWYUFUCL-UHFFFAOYSA-N -1 0 415.565 5.146 50 0 HKAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)s2)n1 ZINC000033289992 559046997 /nfs/dbraw/zinc/04/69/97/559046997.db2.gz JXNIMGSXUJXLMW-UHFFFAOYSA-N -1 0 402.925 5.082 50 0 HKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c(C)s2)sc1C ZINC000033290027 559047014 /nfs/dbraw/zinc/04/70/14/559047014.db2.gz VNFFDAUEBGVIKE-UHFFFAOYSA-N -1 0 412.989 5.559 50 0 HKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)s2)sc1C ZINC000033290028 559047055 /nfs/dbraw/zinc/04/70/55/559047055.db2.gz YQZVTYPAIKKNAZ-UHFFFAOYSA-N -1 0 412.989 5.559 50 0 HKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)s2)sc1C ZINC000033290058 559047060 /nfs/dbraw/zinc/04/70/60/559047060.db2.gz QUUORTZMTBJIQT-UHFFFAOYSA-N -1 0 412.989 5.559 50 0 HKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)s2)sc1C ZINC000033290059 568513648 /nfs/dbraw/zinc/51/36/48/568513648.db2.gz ZMSNAVHGDGEQKC-UHFFFAOYSA-N -1 0 412.989 5.559 50 0 HKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)s2)sc1C ZINC000033290087 559047021 /nfs/dbraw/zinc/04/70/21/559047021.db2.gz BTXVCUIUNQMTFL-UHFFFAOYSA-N -1 0 416.952 5.390 50 0 HKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)cc1 ZINC000033290116 559047202 /nfs/dbraw/zinc/04/72/02/559047202.db2.gz CXQYMNPRINNUKM-UHFFFAOYSA-N -1 0 420.581 5.307 50 0 HKAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)c1 ZINC000033290117 559047175 /nfs/dbraw/zinc/04/71/75/559047175.db2.gz NERVYJVWZBSOFV-UHFFFAOYSA-N -1 0 408.570 5.113 50 0 HKAARM Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000033290119 559047208 /nfs/dbraw/zinc/04/72/08/559047208.db2.gz PGFMKXPZHCWHKI-UHFFFAOYSA-N -1 0 412.989 5.758 50 0 HKAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)C)cs2)sc1C ZINC000033290123 559047211 /nfs/dbraw/zinc/04/72/11/559047211.db2.gz STPWWTRIXDQGJD-UHFFFAOYSA-N -1 0 406.598 5.667 50 0 HKAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)c1 ZINC000033290147 559047159 /nfs/dbraw/zinc/04/71/59/559047159.db2.gz NQHBQBGZRBHENV-UHFFFAOYSA-N -1 0 406.598 5.667 50 0 HKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)C)cs2)sc1C ZINC000033290153 559047198 /nfs/dbraw/zinc/04/71/98/559047198.db2.gz VWHRPWABGMVQHQ-UHFFFAOYSA-N -1 0 422.597 5.421 50 0 HKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)C)cs2)sc1C ZINC000033290159 559047196 /nfs/dbraw/zinc/04/71/96/559047196.db2.gz HEQYSLNAHLPNHR-UHFFFAOYSA-N -1 0 408.570 5.113 50 0 HKAARM O=C1S/C(=C/c2cc(Cl)cc(Cl)c2[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000033293770 559048696 /nfs/dbraw/zinc/04/86/96/559048696.db2.gz MYTMWQCAMDTTEW-AWNIVKPZSA-N -1 0 400.670 5.593 50 0 HKAARM O=C1S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000033293771 559048709 /nfs/dbraw/zinc/04/87/09/559048709.db2.gz QVOQMTMVDHSFFM-AWNIVKPZSA-N -1 0 400.670 5.593 50 0 HKAARM O=C1S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000033293806 559047270 /nfs/dbraw/zinc/04/72/70/559047270.db2.gz UHMOFVUAZMUJEP-NTUHNPAUSA-N -1 0 400.670 5.593 50 0 HKAARM Cc1ccc(N2C(=N)S/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1C ZINC000033293906 559047276 /nfs/dbraw/zinc/04/72/76/559047276.db2.gz HBKRBPGWEKWUKK-KRCJOYDVSA-N -1 0 418.474 5.317 50 0 HKAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)C)cs2)cs1 ZINC000033297711 568513159 /nfs/dbraw/zinc/51/31/59/568513159.db2.gz VHGUHNQFKASNON-UHFFFAOYSA-N -1 0 412.989 5.758 50 0 HKAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)C)cs2)cs1 ZINC000033297719 559047610 /nfs/dbraw/zinc/04/76/10/559047610.db2.gz PXLUBRPAEUIQFT-UHFFFAOYSA-N -1 0 412.989 5.758 50 0 HKAARM CC(C)c1csc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)n1 ZINC000033297726 559047628 /nfs/dbraw/zinc/04/76/28/559047628.db2.gz BSIPQZHJUPDDES-UHFFFAOYSA-N -1 0 400.497 5.074 50 0 HKAARM CC(C)Cc1csc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000033297736 568513184 /nfs/dbraw/zinc/51/31/84/568513184.db2.gz PCRHRYCKXDRPNL-UHFFFAOYSA-N -1 0 412.989 5.524 50 0 HKAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297758 559047574 /nfs/dbraw/zinc/04/75/74/559047574.db2.gz FMZYPDKVIZSGGE-UHFFFAOYSA-N -1 0 420.625 6.093 50 0 HKAARM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1 ZINC000033297760 559047585 /nfs/dbraw/zinc/04/75/85/559047585.db2.gz DRFLMGBFQKDKCG-UHFFFAOYSA-N -1 0 412.989 5.623 50 0 HKAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297768 559047556 /nfs/dbraw/zinc/04/75/56/559047556.db2.gz CVRLVKHCNLOQSY-UHFFFAOYSA-N -1 0 406.598 5.532 50 0 HKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297775 559047606 /nfs/dbraw/zinc/04/76/06/559047606.db2.gz YEBZWKBRGUGWEO-UHFFFAOYSA-N -1 0 422.597 5.369 50 0 HKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1 ZINC000033297780 559047581 /nfs/dbraw/zinc/04/75/81/559047581.db2.gz XMDOIFLYFJEJHJ-UHFFFAOYSA-N -1 0 406.598 5.587 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c(C)c1 ZINC000033297781 559047592 /nfs/dbraw/zinc/04/75/92/559047592.db2.gz SEIFZOOKWSNFLX-UHFFFAOYSA-N -1 0 406.598 5.587 50 0 HKAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297798 559047739 /nfs/dbraw/zinc/04/77/39/559047739.db2.gz WGOWGRUHFHRFBS-UHFFFAOYSA-N -1 0 422.597 5.369 50 0 HKAARM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)n1 ZINC000033297799 559047753 /nfs/dbraw/zinc/04/77/53/559047753.db2.gz OHVBABXCHYRGME-UHFFFAOYSA-N -1 0 414.524 5.248 50 0 HKAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297803 559047692 /nfs/dbraw/zinc/04/76/92/559047692.db2.gz IFHKHMSHQFVZBK-UHFFFAOYSA-N -1 0 410.561 5.417 50 0 HKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297805 559047734 /nfs/dbraw/zinc/04/77/34/559047734.db2.gz ALFBLIHCCYMPCI-UHFFFAOYSA-N -1 0 422.597 5.287 50 0 HKAARM Cc1cc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)ccc1F ZINC000033297814 559047730 /nfs/dbraw/zinc/04/77/30/559047730.db2.gz DSAVMUASDNCDLE-UHFFFAOYSA-N -1 0 410.561 5.417 50 0 HKAARM Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297815 559047749 /nfs/dbraw/zinc/04/77/49/559047749.db2.gz JSRFYMUTVQEEPL-UHFFFAOYSA-N -1 0 410.561 5.417 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c(F)c1 ZINC000033297816 559047742 /nfs/dbraw/zinc/04/77/42/559047742.db2.gz XZHHWKNSQDLGTQ-UHFFFAOYSA-N -1 0 410.561 5.417 50 0 HKAARM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1 ZINC000033297817 559047726 /nfs/dbraw/zinc/04/77/26/559047726.db2.gz FBXWTUQOFUVTSE-UHFFFAOYSA-N -1 0 410.561 5.417 50 0 HKAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297818 568513126 /nfs/dbraw/zinc/51/31/26/568513126.db2.gz GRWAFIKGFMVVKA-UHFFFAOYSA-N -1 0 410.561 5.417 50 0 HKAARM CSc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297827 559047705 /nfs/dbraw/zinc/04/77/05/559047705.db2.gz BJEGTZVVKAIFIX-UHFFFAOYSA-N -1 0 424.638 5.692 50 0 HKAARM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000033298831 559048039 /nfs/dbraw/zinc/04/80/39/559048039.db2.gz SJJPJCXTMVMRJK-UHFFFAOYSA-N -1 0 402.925 5.002 50 0 HKAARM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000033299232 559050478 /nfs/dbraw/zinc/05/04/78/559050478.db2.gz FZRJKKXTOBUALI-UHFFFAOYSA-N -1 0 422.837 5.185 50 0 HKAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C ZINC000033299243 559050621 /nfs/dbraw/zinc/05/06/21/559050621.db2.gz NBRSCHLVRXHGQE-UHFFFAOYSA-N -1 0 416.446 5.094 50 0 HKAARM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000033299275 559049268 /nfs/dbraw/zinc/04/92/68/559049268.db2.gz PZMWSMWYRWUGSV-UHFFFAOYSA-N -1 0 416.446 5.148 50 0 HKAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299389 559049361 /nfs/dbraw/zinc/04/93/61/559049361.db2.gz FIWBZMQCXCTSPF-UHFFFAOYSA-N -1 0 416.446 5.148 50 0 HKAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1-c1cc(C(F)(F)F)on1 ZINC000033299394 559049371 /nfs/dbraw/zinc/04/93/71/559049371.db2.gz JWKOISLYPSEFLP-UHFFFAOYSA-N -1 0 416.446 5.148 50 0 HKAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1C ZINC000033306733 559051738 /nfs/dbraw/zinc/05/17/38/559051738.db2.gz VICSZVOJIYIQCW-UHFFFAOYSA-N -1 0 409.964 5.135 50 0 HKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)s2)cs1 ZINC000033308409 559052505 /nfs/dbraw/zinc/05/25/05/559052505.db2.gz OURCXBKTLBGECX-UHFFFAOYSA-N -1 0 402.925 5.082 50 0 HKAARM Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3F)c(C)s2)cs1 ZINC000033308425 568514066 /nfs/dbraw/zinc/51/40/66/568514066.db2.gz SFXUQXNJCOSDTD-UHFFFAOYSA-N -1 0 402.925 5.082 50 0 HKAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c(C)s2)cs1 ZINC000033308434 559052586 /nfs/dbraw/zinc/05/25/86/559052586.db2.gz FYNODBBKYOTPAE-UHFFFAOYSA-N -1 0 412.989 5.505 50 0 HKAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)s2)cs1 ZINC000033308435 559052591 /nfs/dbraw/zinc/05/25/91/559052591.db2.gz CDYHXSZATKROSN-UHFFFAOYSA-N -1 0 412.989 5.505 50 0 HKAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)s2)cs1 ZINC000033308441 559052589 /nfs/dbraw/zinc/05/25/89/559052589.db2.gz UIZJYWOUIXULTF-UHFFFAOYSA-N -1 0 412.989 5.505 50 0 HKAARM O=C([O-])c1c(NC(=O)/C=C\c2ccco2)scc1-c1ccc(Br)cc1 ZINC000033335904 559063592 /nfs/dbraw/zinc/06/35/92/559063592.db2.gz DKDXOSZZKFDCTB-FPLPWBNLSA-N -1 0 418.268 5.121 50 0 HKAARM CC(C)=CCC/C(C)=C\COc1cc2c(cc1Br)oc(C)c2C(=O)[O-] ZINC000033343194 559064904 /nfs/dbraw/zinc/06/49/04/559064904.db2.gz YMJQHFZWGRYSNK-JYRVWZFOSA-N -1 0 407.304 6.273 50 0 HKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(Cl)c2Cl)C1 ZINC000033467017 568514533 /nfs/dbraw/zinc/51/45/33/568514533.db2.gz SVTUABWBKFBUHK-UVTDQMKNSA-N -1 0 413.304 5.616 50 0 HKAARM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc2ccccc12 ZINC000033579111 559214075 /nfs/dbraw/zinc/21/40/75/559214075.db2.gz ZSEWHPJWHBLJOP-YBEGLDIGSA-N -1 0 411.244 5.653 50 0 HKAARM O=C([O-])/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2[nH]1 ZINC000033722523 559236882 /nfs/dbraw/zinc/23/68/82/559236882.db2.gz LMIINLDXYQEAOQ-GHRIWEEISA-N -1 0 412.474 5.102 50 0 HKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000033858501 559254151 /nfs/dbraw/zinc/25/41/51/559254151.db2.gz ZUZHTSFJHYQQHR-UHFFFAOYSA-N -1 0 405.928 5.301 50 0 HKAARM COc1cc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1OC ZINC000033879706 559287535 /nfs/dbraw/zinc/28/75/35/559287535.db2.gz NPSFOQIOCAZCQI-OJNRTJSBSA-N -1 0 423.896 5.727 50 0 HKAARM COc1cc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1OC ZINC000033879707 559287483 /nfs/dbraw/zinc/28/74/83/559287483.db2.gz NPSFOQIOCAZCQI-NWFCWYBLSA-N -1 0 423.896 5.727 50 0 HKAARM CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc3c(c2)OCO3)C1 ZINC000033888663 559287832 /nfs/dbraw/zinc/28/78/32/559287832.db2.gz AUMBAGOVHVKCGZ-RNIVLKNTSA-N -1 0 415.489 5.811 50 0 HKAARM CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc3c(c2)OCO3)C1 ZINC000033888664 559287850 /nfs/dbraw/zinc/28/78/50/559287850.db2.gz AUMBAGOVHVKCGZ-LPPOOGIUSA-N -1 0 415.489 5.811 50 0 HKAARM CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(Cl)cc2)C1 ZINC000033888676 559287859 /nfs/dbraw/zinc/28/78/59/559287859.db2.gz UGFOTXAVNSQNBM-WBILKINKSA-N -1 0 405.925 6.736 50 0 HKAARM CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(Cl)cc2)C1 ZINC000033888677 568524077 /nfs/dbraw/zinc/52/40/77/568524077.db2.gz UGFOTXAVNSQNBM-TXQCQQFXSA-N -1 0 405.925 6.736 50 0 HKAARM CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(Cl)c2)C1 ZINC000033888679 559287843 /nfs/dbraw/zinc/28/78/43/559287843.db2.gz NWARGEGVLYRRED-NIFLVVHWSA-N -1 0 405.925 6.736 50 0 HKAARM CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(Cl)c2)C1 ZINC000033888680 559287862 /nfs/dbraw/zinc/28/78/62/559287862.db2.gz NWARGEGVLYRRED-ZFOVBUMHSA-N -1 0 405.925 6.736 50 0 HKAARM O=C([O-])CC/C=C\C[C@H]1CO[C@@H](c2ccccc2Cl)O[C@H]1c1ccccc1O ZINC000033953871 558772601 /nfs/dbraw/zinc/77/26/01/558772601.db2.gz WHUIENZXNGAHQI-YGPRPMEGSA-N -1 0 402.874 5.260 50 0 HKAARM O=C([O-])c1cc(OCc2ccccc2)c(Br)c(OCc2ccccc2)c1 ZINC000034105393 568529759 /nfs/dbraw/zinc/52/97/59/568529759.db2.gz JCAIWNXWTXXJAE-UHFFFAOYSA-N -1 0 413.267 5.305 50 0 HKAARM O=C([O-])C[C@H](O)/C=C/CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034636287 558782494 /nfs/dbraw/zinc/78/24/94/558782494.db2.gz BGUJCVRJDCZLQS-XMZCUOJSSA-N -1 0 418.558 5.494 50 0 HKAARM O=C([O-])c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)NC3=O)o2)cc1Cl ZINC000034847641 569041775 /nfs/dbraw/zinc/04/17/75/569041775.db2.gz LCDXQIZGDCWXSD-WOJGMQOQSA-N -1 0 424.865 5.190 50 0 HKAARM Cc1ccccc1C(=O)Nc1ccc(N2CC=C(c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000035450754 569037605 /nfs/dbraw/zinc/03/76/05/569037605.db2.gz RNGBRPXISOASBV-UHFFFAOYSA-N -1 0 412.489 5.239 50 0 HKAARM Cc1cccc(C(=O)Nc2ccc(N3CC=C(c4ccccc4)CC3)c(C(=O)[O-])c2)c1 ZINC000035450758 569037608 /nfs/dbraw/zinc/03/76/08/569037608.db2.gz RTLUGCFELLJXFF-UHFFFAOYSA-N -1 0 412.489 5.239 50 0 HKAARM Cc1ccccc1C1=CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000035451266 569037549 /nfs/dbraw/zinc/03/75/49/569037549.db2.gz UGFNFTRRKWBLMX-UHFFFAOYSA-N -1 0 418.518 5.301 50 0 HKAARM Cc1ccccc1C1=CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000035451270 132801998 /nfs/dbraw/zinc/80/19/98/132801998.db2.gz WIKPVINCZBYUDS-UHFFFAOYSA-N -1 0 412.489 5.239 50 0 HKAARM Cc1oc(-c2ccccc2)nc1CSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000035480759 569039369 /nfs/dbraw/zinc/03/93/69/569039369.db2.gz VICCVQMIKUZVPG-UHFFFAOYSA-N -1 0 403.507 5.337 50 0 HKAARM Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000035480781 569039366 /nfs/dbraw/zinc/03/93/66/569039366.db2.gz ZRUJHDWTYBIATG-UHFFFAOYSA-N -1 0 410.886 5.153 50 0 HKAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000035510942 569043030 /nfs/dbraw/zinc/04/30/30/569043030.db2.gz GTZOFJIHXNXXBV-UHFFFAOYSA-N -1 0 408.885 5.317 50 0 HKAARM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000035510990 569043024 /nfs/dbraw/zinc/04/30/24/569043024.db2.gz YZXUOGYDTGHSGU-QGZVFWFLSA-N -1 0 420.896 5.284 50 0 HKAARM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000035510992 569043036 /nfs/dbraw/zinc/04/30/36/569043036.db2.gz YZXUOGYDTGHSGU-KRWDZBQOSA-N -1 0 420.896 5.284 50 0 HKAARM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000035511008 569043061 /nfs/dbraw/zinc/04/30/61/569043061.db2.gz DPCPVHOZBARIGZ-GOSISDBHSA-N -1 0 420.896 5.284 50 0 HKAARM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000035511009 569043028 /nfs/dbraw/zinc/04/30/28/569043028.db2.gz DPCPVHOZBARIGZ-SFHVURJKSA-N -1 0 420.896 5.284 50 0 HKAARM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000035529526 558793353 /nfs/dbraw/zinc/79/33/53/558793353.db2.gz CRUQGOIDPMKBGN-UUOWRZLLSA-N -1 0 419.521 5.291 50 0 HKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc3ccccc32)c1C ZINC000035552442 569044570 /nfs/dbraw/zinc/04/45/70/569044570.db2.gz QATQJIFNYYWIKC-UHFFFAOYSA-N -1 0 412.536 5.591 50 0 HKAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557373 569044774 /nfs/dbraw/zinc/04/47/74/569044774.db2.gz QTTVDBSYFHGNQM-UHFFFAOYSA-N -1 0 423.947 5.218 50 0 HKAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557376 569044786 /nfs/dbraw/zinc/04/47/86/569044786.db2.gz RPUCMCWTZXCNTL-UHFFFAOYSA-N -1 0 423.947 5.218 50 0 HKAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557464 569044802 /nfs/dbraw/zinc/04/48/02/569044802.db2.gz SJQYXNQXQLYIKJ-UHFFFAOYSA-N -1 0 423.947 5.218 50 0 HKAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557511 569044762 /nfs/dbraw/zinc/04/47/62/569044762.db2.gz NSXXLFYSZIPIIP-UHFFFAOYSA-N -1 0 417.556 5.127 50 0 HKAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000035557521 569044757 /nfs/dbraw/zinc/04/47/57/569044757.db2.gz WXMYIXAOPFVROW-UHFFFAOYSA-N -1 0 417.556 5.380 50 0 HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]4CC[C@H]([C@@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000036034640 569357970 /nfs/dbraw/zinc/35/79/70/569357970.db2.gz FCQRLHQHKFKTQE-GZTMJIMXSA-N -1 0 418.618 6.078 50 0 HKAARM CO[C@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCC(=O)[O-])[C@H]3CC[C@H]2C1 ZINC000036372128 569358084 /nfs/dbraw/zinc/35/80/84/569358084.db2.gz JUPFWUQPXGJVAK-HWJFDTSZSA-N -1 0 404.591 5.340 50 0 HKAARM CO[C@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000036372129 569358105 /nfs/dbraw/zinc/35/81/05/569358105.db2.gz JUPFWUQPXGJVAK-SECFJKPDSA-N -1 0 404.591 5.340 50 0 HKAARM FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc([N-]c2nccc(-c3ccco3)n2)n1 ZINC000036614205 569209517 /nfs/dbraw/zinc/20/95/17/569209517.db2.gz ALKYOABCTOHOSQ-UHFFFAOYSA-N -1 0 417.778 5.609 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615676 569207056 /nfs/dbraw/zinc/20/70/56/569207056.db2.gz LGOPKIPYGCMTRO-UHFFFAOYSA-N -1 0 402.212 5.207 50 0 HKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615764 569207067 /nfs/dbraw/zinc/20/70/67/569207067.db2.gz XDJVBTOPJHDZSN-UHFFFAOYSA-N -1 0 402.212 5.207 50 0 HKAARM CC(C)(C)c1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccc(Cl)cc2)cc1 ZINC000036724792 558801170 /nfs/dbraw/zinc/80/11/70/558801170.db2.gz DCTILTYGXQNNSG-UHFFFAOYSA-N -1 0 401.919 5.062 50 0 HKAARM CC[C@H]1[C@@H](O)[C@H]2[C@H]3CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 ZINC000038149313 569358110 /nfs/dbraw/zinc/35/81/10/569358110.db2.gz ZXERDUOLZKYMJM-LNSSTFAQSA-N -1 0 420.634 5.114 50 0 HKAARM CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12 ZINC000038149335 569052326 /nfs/dbraw/zinc/05/23/26/569052326.db2.gz ZXERDUOLZKYMJM-MGZHBFIISA-N -1 0 420.634 5.114 50 0 HKAARM O=C([O-])Cc1ccc(Sc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000038209631 569012882 /nfs/dbraw/zinc/01/28/82/569012882.db2.gz YLZDQNCCMUDLOT-UHFFFAOYSA-N -1 0 401.487 5.592 50 0 HKAARM O=C([O-])CCCc1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038529085 558812193 /nfs/dbraw/zinc/81/21/93/558812193.db2.gz NHWVYKYXTLWCJF-UHFFFAOYSA-N -1 0 401.462 5.455 50 0 HKAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000038838435 569052368 /nfs/dbraw/zinc/05/23/68/569052368.db2.gz SZQWVTJZNYDCRV-QHCPKHFHSA-N -1 0 407.510 5.291 50 0 HKAARM CCNc1cc2c(cc1C)C(c1ccccc1C(=O)[O-])c1cc(C)c(NCC)cc1O2 ZINC000039776567 571134274 /nfs/dbraw/zinc/13/42/74/571134274.db2.gz GTHHIHLLMSCGES-UHFFFAOYSA-N -1 0 416.521 6.151 50 0 HKAARM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)[O-] ZINC000040865720 520133627 /nfs/dbraw/zinc/13/36/27/520133627.db2.gz HVJBWTVMRIOTEL-INIZCTEOSA-N -1 0 407.967 6.006 50 0 in-vitro HKAARM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)[O-] ZINC000040865722 520123061 /nfs/dbraw/zinc/12/30/61/520123061.db2.gz HVJBWTVMRIOTEL-MRXNPFEDSA-N -1 0 407.967 6.006 50 0 in-vitro HKAARM Cc1cc(C)c2oc(-c3cc(Br)cc(Br)c3[O-])cc(=O)c2c1 ZINC000041195150 524351979 /nfs/dbraw/zinc/35/19/79/524351979.db2.gz QMBFOGMMHYLDSF-UHFFFAOYSA-N -1 0 424.088 5.307 50 0 HKAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(C)(C)C)cc2C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000042783086 518818233 /nfs/dbraw/zinc/81/82/33/518818233.db2.gz RDEKYDXQCWNYBV-WMZOPIPTSA-N -1 0 419.562 5.123 50 0 HKAARM CC(C)c1ccc(CC(=O)N2CCC[C@@H](c3cccc(OC(C)(C)C(=O)[O-])c3)C2)cc1 ZINC000043105271 519835457 /nfs/dbraw/zinc/83/54/57/519835457.db2.gz OISHBINQIFNIPV-JOCHJYFZSA-N -1 0 423.553 5.001 50 0 in-vitro HKAARM O=C([O-])CSc1cc(C(F)(F)F)cc(Sc2ccc(Br)cc2)n1 ZINC000043179105 527621375 /nfs/dbraw/zinc/62/13/75/527621375.db2.gz PEOCTJDCAFPZKY-UHFFFAOYSA-N -1 0 424.263 5.191 50 0 HKAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 ZINC000043828270 526329984 /nfs/dbraw/zinc/32/99/84/526329984.db2.gz JEVWENZFSHWYMJ-LADGPHEKSA-N -1 0 413.473 5.228 50 0 HKAARM O=C([O-])[C@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 ZINC000043828274 526331175 /nfs/dbraw/zinc/33/11/75/526331175.db2.gz JEVWENZFSHWYMJ-UPVQGACJSA-N -1 0 413.473 5.228 50 0 HKAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 ZINC000043828275 526281158 /nfs/dbraw/zinc/28/11/58/526281158.db2.gz JEVWENZFSHWYMJ-ISKFKSNPSA-N -1 0 413.473 5.228 50 0 HKAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 ZINC000043828280 526283380 /nfs/dbraw/zinc/28/33/80/526283380.db2.gz JEVWENZFSHWYMJ-VWNXMTODSA-N -1 0 413.473 5.228 50 0 HKAARM O=C([O-])CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000044197632 559245359 /nfs/dbraw/zinc/24/53/59/559245359.db2.gz GVVBQAUUPFWYCV-QHCPKHFHSA-N -1 0 401.462 5.131 50 0 HKAARM O=C([O-])C[C@@H]1c2ccccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044197844 568417038 /nfs/dbraw/zinc/41/70/38/568417038.db2.gz RHKMQYBFMUXKQN-XMMPIXPASA-N -1 0 413.473 5.010 50 0 HKAARM O=C([O-])[C@H](CC1CCCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044321065 568862402 /nfs/dbraw/zinc/86/24/02/568862402.db2.gz QLVAHIRRBVTTMP-QHCPKHFHSA-N -1 0 407.510 5.339 50 0 HKAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 ZINC000044546664 526303394 /nfs/dbraw/zinc/30/33/94/526303394.db2.gz VPGXZWIGRRRZMG-OAQYLSRUSA-N -1 0 421.880 5.047 50 0 HKAARM O=C([O-])c1ccccc1Sc1ccc(OCc2ccc3cc(Cl)ccc3n2)cc1 ZINC000045068674 569012985 /nfs/dbraw/zinc/01/29/85/569012985.db2.gz TVUPJHIUMIMKEN-UHFFFAOYSA-N -1 0 421.905 6.317 50 0 HKAARM C[C@@H](CCc1ccc(CCCOc2ccc(-c3ccc(F)cc3F)cc2)cc1)C(=O)[O-] ZINC000045068769 569012984 /nfs/dbraw/zinc/01/29/84/569012984.db2.gz SOIJAUNJXZQMJL-SFHVURJKSA-N -1 0 424.487 6.297 50 0 HKAARM C[C@H](CCc1ccc(CCCOc2ccc(-c3ccc(F)cc3F)cc2)cc1)C(=O)[O-] ZINC000045068773 569012998 /nfs/dbraw/zinc/01/29/98/569012998.db2.gz SOIJAUNJXZQMJL-GOSISDBHSA-N -1 0 424.487 6.297 50 0 HKAARM O=C([O-])c1ccccc1Sc1cccc(OCc2ccc3cc(Cl)ccc3n2)c1 ZINC000045068925 569013036 /nfs/dbraw/zinc/01/30/36/569013036.db2.gz IJTXSPDIILLCBV-UHFFFAOYSA-N -1 0 421.905 6.317 50 0 HKAARM C[C@H](NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1ccc(C(=O)[O-])cc1 ZINC000045336461 558836955 /nfs/dbraw/zinc/83/69/55/558836955.db2.gz MWBNCZHVEXULBD-ZDUSSCGKSA-N -1 0 413.832 5.461 50 0 in-vivo HKAARM O=C([O-])C/C(=C/c1ccc(OCc2cscn2)cc1)c1nc2ccccc2s1 ZINC000045866002 527551354 /nfs/dbraw/zinc/55/13/54/527551354.db2.gz LJJOGCULIVUVOX-DHDCSXOGSA-N -1 0 408.504 5.347 50 0 HKAARM Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941941 568921125 /nfs/dbraw/zinc/92/11/25/568921125.db2.gz PBPLRNZALXOESN-HSZRJFAPSA-N -1 0 413.473 5.054 50 0 HKAARM Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941943 568921119 /nfs/dbraw/zinc/92/11/19/568921119.db2.gz PBPLRNZALXOESN-QHCPKHFHSA-N -1 0 413.473 5.054 50 0 HKAARM O=C([O-])c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942017 568422304 /nfs/dbraw/zinc/42/23/04/568422304.db2.gz PLSGSBMBTOSMSL-OAQYLSRUSA-N -1 0 419.864 5.091 50 0 HKAARM O=C([O-])c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942019 568422288 /nfs/dbraw/zinc/42/22/88/568422288.db2.gz PLSGSBMBTOSMSL-NRFANRHFSA-N -1 0 419.864 5.091 50 0 HKAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053302 568425234 /nfs/dbraw/zinc/42/52/34/568425234.db2.gz NCJGAPALUKZHEQ-UHFFFAOYSA-N -1 0 408.885 5.317 50 0 HKAARM CCCN(CCC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000046053381 568927804 /nfs/dbraw/zinc/92/78/04/568927804.db2.gz VYOYRTBHVVHERP-UHFFFAOYSA-N -1 0 419.319 5.026 50 0 HKAARM CCCCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000046053486 568425409 /nfs/dbraw/zinc/42/54/09/568425409.db2.gz KSNRCPRFCPZSGS-UHFFFAOYSA-N -1 0 419.319 5.026 50 0 HKAARM CC(C)CN(CC(C)C)c1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000046053488 568425375 /nfs/dbraw/zinc/42/53/75/568425375.db2.gz COVNXYOSVYPHHC-UHFFFAOYSA-N -1 0 402.922 5.409 50 0 HKAARM CC(C)CN(CC(C)C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053490 568425380 /nfs/dbraw/zinc/42/53/80/568425380.db2.gz IAOLGLLBJPYIKW-UHFFFAOYSA-N -1 0 402.922 5.409 50 0 HKAARM CC(C)CN(CC(C)C)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053497 568425379 /nfs/dbraw/zinc/42/53/79/568425379.db2.gz MROQCQDIJRUAMA-UHFFFAOYSA-N -1 0 402.922 5.409 50 0 HKAARM CCCCN(Cc1cccs1)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000046053661 568425484 /nfs/dbraw/zinc/42/54/84/568425484.db2.gz WTAQANYYELAVCH-UHFFFAOYSA-N -1 0 422.550 5.814 50 0 HKAARM CCCCN(Cc1cccs1)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000046053664 568425501 /nfs/dbraw/zinc/42/55/01/568425501.db2.gz SACOPHWAKFIOKS-UHFFFAOYSA-N -1 0 422.550 5.814 50 0 HKAARM CCCCN(Cc1cccs1)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053665 568425481 /nfs/dbraw/zinc/42/54/81/568425481.db2.gz MOSLLNZAGWGLBB-UHFFFAOYSA-N -1 0 414.552 5.567 50 0 HKAARM CCCCN(Cc1cccs1)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053666 568425507 /nfs/dbraw/zinc/42/55/07/568425507.db2.gz UKDJDRQDMQHEFY-UHFFFAOYSA-N -1 0 408.523 5.505 50 0 HKAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)s1 ZINC000046056359 568425703 /nfs/dbraw/zinc/42/57/03/568425703.db2.gz MHMQBKKEZQYDJJ-CQSZACIVSA-N -1 0 413.930 5.075 50 0 HKAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)s1 ZINC000046056362 568425745 /nfs/dbraw/zinc/42/57/45/568425745.db2.gz MHMQBKKEZQYDJJ-AWEZNQCLSA-N -1 0 413.930 5.075 50 0 HKAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)s1 ZINC000046056365 568425735 /nfs/dbraw/zinc/42/57/35/568425735.db2.gz WFYLNZLZVUIYOC-OAHLLOKOSA-N -1 0 413.930 5.075 50 0 HKAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)s1 ZINC000046056369 568425763 /nfs/dbraw/zinc/42/57/63/568425763.db2.gz WFYLNZLZVUIYOC-HNNXBMFYSA-N -1 0 413.930 5.075 50 0 HKAARM Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057619 568426215 /nfs/dbraw/zinc/42/62/15/568426215.db2.gz VTWCJSSTFPLSQK-OAHLLOKOSA-N -1 0 419.868 5.197 50 0 HKAARM Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057622 568426208 /nfs/dbraw/zinc/42/62/08/568426208.db2.gz VTWCJSSTFPLSQK-HNNXBMFYSA-N -1 0 419.868 5.197 50 0 HKAARM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCCC)s3)no2)cc1 ZINC000046086563 568428109 /nfs/dbraw/zinc/42/81/09/568428109.db2.gz IOORUFIPGWBKPA-UHFFFAOYSA-N -1 0 418.544 5.126 50 0 HKAARM O=C([O-])CN1C(c2ccccc2)=Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000049582809 558850446 /nfs/dbraw/zinc/85/04/46/558850446.db2.gz KFZPWKYCTWLVSI-OAQYLSRUSA-N -1 0 421.294 5.017 50 0 HKAARM O=C([O-])CN1C(c2ccccc2)=Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000049582811 558850502 /nfs/dbraw/zinc/85/05/02/558850502.db2.gz KFZPWKYCTWLVSI-NRFANRHFSA-N -1 0 421.294 5.017 50 0 HKAARM O=c1nc(COCC(F)(F)F)[n-]c2cc(-c3ccc(Cl)cc3Cl)sc21 ZINC000053851089 569051797 /nfs/dbraw/zinc/05/17/97/569051797.db2.gz VFIJWKWTZFKJSP-UHFFFAOYSA-N -1 0 409.216 5.037 50 0 HKAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc1 ZINC000058202332 558911545 /nfs/dbraw/zinc/91/15/45/558911545.db2.gz PDMSNYGVVRBKFN-OAHLLOKOSA-N -1 0 402.541 5.036 50 0 HKAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc1 ZINC000058202333 558911501 /nfs/dbraw/zinc/91/15/01/558911501.db2.gz PDMSNYGVVRBKFN-HNNXBMFYSA-N -1 0 402.541 5.036 50 0 HKAARM COc1ccc2sc([N-]c3nc4ccc5nc(SC)sc5c4s3)nc2c1 ZINC000062007431 560566611 /nfs/dbraw/zinc/56/66/11/560566611.db2.gz BEUWKXRGZPKACW-UHFFFAOYSA-N -1 0 416.578 5.990 50 0 HKAARM CSc1nc2ccc3nc([N-]c4nc5c(cccc5Cl)s4)sc3c2s1 ZINC000062007441 560566604 /nfs/dbraw/zinc/56/66/04/560566604.db2.gz ITPGANZKIAPIBP-UHFFFAOYSA-N -1 0 420.997 6.635 50 0 HKAARM CSc1nc2ccc3nc([N-]c4nc5cc(C)cc(C)c5s4)sc3c2s1 ZINC000062017512 560567045 /nfs/dbraw/zinc/56/70/45/560567045.db2.gz MQYVDTVNKZKCNK-UHFFFAOYSA-N -1 0 414.606 6.598 50 0 HKAARM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809566 569016797 /nfs/dbraw/zinc/01/67/97/569016797.db2.gz XQBBJBYAHJTVCT-VIFPVBQESA-N -1 0 408.310 5.138 50 0 HKAARM Cc1cccc([C@@H]2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)C2)c1 ZINC000064588775 569068939 /nfs/dbraw/zinc/06/89/39/569068939.db2.gz SBVJSTZAMKOSFY-LJQANCHMSA-N -1 0 418.468 5.079 50 0 HKAARM Cc1cccc([C@H]2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)C2)c1 ZINC000064588776 569068952 /nfs/dbraw/zinc/06/89/52/569068952.db2.gz SBVJSTZAMKOSFY-IBGZPJMESA-N -1 0 418.468 5.079 50 0 HKAARM Cc1ccccc1[C@@H]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)C1 ZINC000064588778 569068916 /nfs/dbraw/zinc/06/89/16/569068916.db2.gz PBNBCSRCXXVDBX-GOSISDBHSA-N -1 0 418.468 5.079 50 0 HKAARM Cc1ccccc1[C@H]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)C1 ZINC000064588779 569068929 /nfs/dbraw/zinc/06/89/29/569068929.db2.gz PBNBCSRCXXVDBX-SFHVURJKSA-N -1 0 418.468 5.079 50 0 HKAARM Cc1cccc([C@@H]2CCN(c3ccc(NC(=O)c4ccccc4F)c(C(=O)[O-])c3)C2)c1 ZINC000064588805 569068907 /nfs/dbraw/zinc/06/89/07/569068907.db2.gz HCOFHESNFZRMOY-GOSISDBHSA-N -1 0 418.468 5.079 50 0 HKAARM Cc1cccc([C@H]2CCN(c3ccc(NC(=O)c4ccccc4F)c(C(=O)[O-])c3)C2)c1 ZINC000064588807 569068912 /nfs/dbraw/zinc/06/89/12/569068912.db2.gz HCOFHESNFZRMOY-SFHVURJKSA-N -1 0 418.468 5.079 50 0 HKAARM Cc1ccccc1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)C1 ZINC000064588809 569068941 /nfs/dbraw/zinc/06/89/41/569068941.db2.gz YMEKVEUYCHMXDG-QGZVFWFLSA-N -1 0 418.468 5.079 50 0 HKAARM Cc1ccccc1[C@H]1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)C1 ZINC000064588811 569068921 /nfs/dbraw/zinc/06/89/21/569068921.db2.gz YMEKVEUYCHMXDG-KRWDZBQOSA-N -1 0 418.468 5.079 50 0 HKAARM Cc1cccc([C@@H]2CCN(c3ccc(NC(=O)c4ccccc4C)c(C(=O)[O-])c3)C2)c1 ZINC000064588834 569068964 /nfs/dbraw/zinc/06/89/64/569068964.db2.gz PTRPOCQITSGIGB-HXUWFJFHSA-N -1 0 414.505 5.248 50 0 HKAARM Cc1cccc([C@H]2CCN(c3ccc(NC(=O)c4ccccc4C)c(C(=O)[O-])c3)C2)c1 ZINC000064588836 569068991 /nfs/dbraw/zinc/06/89/91/569068991.db2.gz PTRPOCQITSGIGB-FQEVSTJZSA-N -1 0 414.505 5.248 50 0 HKAARM Cc1cccc(C(=O)Nc2ccc(N3CC[C@@H](c4cccc(C)c4)C3)cc2C(=O)[O-])c1 ZINC000064588863 569068999 /nfs/dbraw/zinc/06/89/99/569068999.db2.gz OYRBJDMKFOZMJN-OAQYLSRUSA-N -1 0 414.505 5.248 50 0 HKAARM Cc1cccc(C(=O)Nc2ccc(N3CC[C@H](c4cccc(C)c4)C3)cc2C(=O)[O-])c1 ZINC000064588865 569068998 /nfs/dbraw/zinc/06/89/98/569068998.db2.gz OYRBJDMKFOZMJN-NRFANRHFSA-N -1 0 414.505 5.248 50 0 HKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000064670121 569079042 /nfs/dbraw/zinc/07/90/42/569079042.db2.gz AYSZMOAQDRENEV-UHFFFAOYSA-N -1 0 422.959 5.280 50 0 HKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000064670123 569079019 /nfs/dbraw/zinc/07/90/19/569079019.db2.gz HZLRKRHJADCWSR-UHFFFAOYSA-N -1 0 422.959 5.280 50 0 HKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000064670166 569079120 /nfs/dbraw/zinc/07/91/20/569079120.db2.gz YWXRIPHFMQETBA-UHFFFAOYSA-N -1 0 422.959 5.280 50 0 HKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000064670168 569079071 /nfs/dbraw/zinc/07/90/71/569079071.db2.gz OQMYHTGIQQBAMJ-UHFFFAOYSA-N -1 0 422.959 5.280 50 0 HKAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)s2)n1 ZINC000064755838 569089669 /nfs/dbraw/zinc/08/96/69/569089669.db2.gz ADYKYTQEMICLNU-UHFFFAOYSA-N -1 0 402.925 5.027 50 0 HKAARM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)s2)n1 ZINC000064755872 569089745 /nfs/dbraw/zinc/08/97/45/569089745.db2.gz YXWIPJXJHCPGEZ-UHFFFAOYSA-N -1 0 400.497 5.074 50 0 HKAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)s2)n1 ZINC000064769335 569092691 /nfs/dbraw/zinc/09/26/91/569092691.db2.gz DOOWEFVKTPOYCP-UHFFFAOYSA-N -1 0 418.487 5.254 50 0 HKAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)s2)n1 ZINC000064769374 569092645 /nfs/dbraw/zinc/09/26/45/569092645.db2.gz COUWIJFVIIQQFH-UHFFFAOYSA-N -1 0 402.925 5.027 50 0 HKAARM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)s2)n1 ZINC000064769434 569092639 /nfs/dbraw/zinc/09/26/39/569092639.db2.gz OPDRMYGHBXHBIH-UHFFFAOYSA-N -1 0 400.497 5.074 50 0 HKAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(C(C)C)cs2)s1 ZINC000064769464 569092702 /nfs/dbraw/zinc/09/27/02/569092702.db2.gz ZCQLHUKQZUDEED-UHFFFAOYSA-N -1 0 408.570 5.195 50 0 HKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nc(C(C)C)cs2)s1 ZINC000064769466 569092715 /nfs/dbraw/zinc/09/27/15/569092715.db2.gz LCMNQVGYFFOKJG-UHFFFAOYSA-N -1 0 408.570 5.113 50 0 HKAARM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)s2)n1 ZINC000064769468 569092688 /nfs/dbraw/zinc/09/26/88/569092688.db2.gz YBJWMOVUCCWHTJ-UHFFFAOYSA-N -1 0 400.497 5.074 50 0 HKAARM CCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795297 569096104 /nfs/dbraw/zinc/09/61/04/569096104.db2.gz ARAZPMFAQJZXDE-KRWDZBQOSA-N -1 0 407.491 5.376 50 0 HKAARM CCCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795300 569096132 /nfs/dbraw/zinc/09/61/32/569096132.db2.gz ARAZPMFAQJZXDE-QGZVFWFLSA-N -1 0 407.491 5.376 50 0 HKAARM CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795353 569096122 /nfs/dbraw/zinc/09/61/22/569096122.db2.gz OEHKVFOWYWHUBK-INIZCTEOSA-N -1 0 407.491 5.375 50 0 HKAARM CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795356 569096133 /nfs/dbraw/zinc/09/61/33/569096133.db2.gz OEHKVFOWYWHUBK-MRXNPFEDSA-N -1 0 407.491 5.375 50 0 HKAARM CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795387 569096116 /nfs/dbraw/zinc/09/61/16/569096116.db2.gz HVQLWEGFPLQPTR-INIZCTEOSA-N -1 0 407.491 5.376 50 0 HKAARM CCCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795390 569096131 /nfs/dbraw/zinc/09/61/31/569096131.db2.gz HVQLWEGFPLQPTR-MRXNPFEDSA-N -1 0 407.491 5.376 50 0 HKAARM CCCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795416 569096102 /nfs/dbraw/zinc/09/61/02/569096102.db2.gz NZTUJPIMKKQDSD-KRWDZBQOSA-N -1 0 407.491 5.376 50 0 HKAARM CCCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795419 569096148 /nfs/dbraw/zinc/09/61/48/569096148.db2.gz NZTUJPIMKKQDSD-QGZVFWFLSA-N -1 0 407.491 5.376 50 0 HKAARM CC(C)Oc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795422 569096140 /nfs/dbraw/zinc/09/61/40/569096140.db2.gz YNNFYFMLRQDDHE-KRWDZBQOSA-N -1 0 407.491 5.375 50 0 HKAARM CC(C)Oc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795424 569096141 /nfs/dbraw/zinc/09/61/41/569096141.db2.gz YNNFYFMLRQDDHE-QGZVFWFLSA-N -1 0 407.491 5.375 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(F)cc1Cl ZINC000064795449 569096267 /nfs/dbraw/zinc/09/62/67/569096267.db2.gz ZZRVAOLLMQOHLT-ZDUSSCGKSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(F)cc1Cl ZINC000064795453 569096257 /nfs/dbraw/zinc/09/62/57/569096257.db2.gz ZZRVAOLLMQOHLT-CYBMUJFWSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1cc(Cl)ccc1F ZINC000064795456 569096277 /nfs/dbraw/zinc/09/62/77/569096277.db2.gz YAQDKQNNPSGQEP-ZDUSSCGKSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1cc(Cl)ccc1F ZINC000064795459 569096246 /nfs/dbraw/zinc/09/62/46/569096246.db2.gz YAQDKQNNPSGQEP-CYBMUJFWSA-N -1 0 401.846 5.380 50 0 HKAARM COc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(Cl)cc1 ZINC000064795500 569096496 /nfs/dbraw/zinc/09/64/96/569096496.db2.gz DMVLLHRFQATYJX-AWEZNQCLSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(Cl)cc1 ZINC000064795503 569096350 /nfs/dbraw/zinc/09/63/50/569096350.db2.gz DMVLLHRFQATYJX-CQSZACIVSA-N -1 0 413.882 5.249 50 0 HKAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c1 ZINC000064795554 569096405 /nfs/dbraw/zinc/09/64/05/569096405.db2.gz UYVKEXKRIZZMCX-HNNXBMFYSA-N -1 0 413.882 5.249 50 0 HKAARM COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c1 ZINC000064795559 569096348 /nfs/dbraw/zinc/09/63/48/569096348.db2.gz UYVKEXKRIZZMCX-OAHLLOKOSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc1 ZINC000064795561 569096404 /nfs/dbraw/zinc/09/64/04/569096404.db2.gz QBXNGSKTONNCCY-HNNXBMFYSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc1 ZINC000064795564 569096347 /nfs/dbraw/zinc/09/63/47/569096347.db2.gz QBXNGSKTONNCCY-OAHLLOKOSA-N -1 0 413.882 5.249 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000064795737 569096393 /nfs/dbraw/zinc/09/63/93/569096393.db2.gz ZJBXHHWJUSXHRR-AWEZNQCLSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000064795738 569096413 /nfs/dbraw/zinc/09/64/13/569096413.db2.gz ZJBXHHWJUSXHRR-CQSZACIVSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccc(F)cc1F ZINC000064795741 569096430 /nfs/dbraw/zinc/09/64/30/569096430.db2.gz NVLSLDTWKGEXRO-ZDUSSCGKSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccc(F)cc1F ZINC000064795745 569096344 /nfs/dbraw/zinc/09/63/44/569096344.db2.gz NVLSLDTWKGEXRO-CYBMUJFWSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1cccc(F)c1F ZINC000064795748 569096381 /nfs/dbraw/zinc/09/63/81/569096381.db2.gz RYFLCAHIZMNEND-LBPRGKRZSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1cccc(F)c1F ZINC000064795751 569096409 /nfs/dbraw/zinc/09/64/09/569096409.db2.gz RYFLCAHIZMNEND-GFCCVEGCSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1cc(F)ccc1F ZINC000064795754 569096367 /nfs/dbraw/zinc/09/63/67/569096367.db2.gz WBXUHXUVIJRWCM-ZDUSSCGKSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1cc(F)ccc1F ZINC000064795756 569096416 /nfs/dbraw/zinc/09/64/16/569096416.db2.gz WBXUHXUVIJRWCM-CYBMUJFWSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccccc1F ZINC000064795759 569096397 /nfs/dbraw/zinc/09/63/97/569096397.db2.gz BVPXTGXZKXZIBG-ZDUSSCGKSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccccc1F ZINC000064795762 569096427 /nfs/dbraw/zinc/09/64/27/569096427.db2.gz BVPXTGXZKXZIBG-CYBMUJFWSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1cccc(F)c1 ZINC000064795765 569096369 /nfs/dbraw/zinc/09/63/69/569096369.db2.gz MHEVBDJGOXXWIW-AWEZNQCLSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1cccc(F)c1 ZINC000064795767 569096357 /nfs/dbraw/zinc/09/63/57/569096357.db2.gz MHEVBDJGOXXWIW-CQSZACIVSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccccc1Cl ZINC000064795769 569096359 /nfs/dbraw/zinc/09/63/59/569096359.db2.gz USPGASWCZAEIGZ-ZDUSSCGKSA-N -1 0 418.301 5.894 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccccc1Cl ZINC000064795772 569096351 /nfs/dbraw/zinc/09/63/51/569096351.db2.gz USPGASWCZAEIGZ-CYBMUJFWSA-N -1 0 418.301 5.894 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000064795774 569096346 /nfs/dbraw/zinc/09/63/46/569096346.db2.gz PXWVBKRRNJKHEH-AWEZNQCLSA-N -1 0 418.301 5.894 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000064795776 569096395 /nfs/dbraw/zinc/09/63/95/569096395.db2.gz PXWVBKRRNJKHEH-CQSZACIVSA-N -1 0 418.301 5.894 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1c(F)cccc1F ZINC000064795840 569096355 /nfs/dbraw/zinc/09/63/55/569096355.db2.gz CFEMPFKFKPIARO-NSHDSACASA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1c(F)cccc1F ZINC000064795843 569096425 /nfs/dbraw/zinc/09/64/25/569096425.db2.gz CFEMPFKFKPIARO-LLVKDONJSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccc(F)c(F)c1 ZINC000064795846 569096365 /nfs/dbraw/zinc/09/63/65/569096365.db2.gz WWVXPGYVYKISNX-LBPRGKRZSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccc(F)c(F)c1 ZINC000064795850 569096390 /nfs/dbraw/zinc/09/63/90/569096390.db2.gz WWVXPGYVYKISNX-GFCCVEGCSA-N -1 0 419.836 5.519 50 0 HKAARM CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(C)cc1 ZINC000064795911 569096385 /nfs/dbraw/zinc/09/63/85/569096385.db2.gz PVUZLMAMAVJMFJ-INIZCTEOSA-N -1 0 407.491 5.295 50 0 HKAARM CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(C)cc1 ZINC000064795914 569096424 /nfs/dbraw/zinc/09/64/24/569096424.db2.gz PVUZLMAMAVJMFJ-MRXNPFEDSA-N -1 0 407.491 5.295 50 0 HKAARM CSc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795963 569096342 /nfs/dbraw/zinc/09/63/42/569096342.db2.gz LLMFPFBYVQYRNX-INIZCTEOSA-N -1 0 409.532 5.618 50 0 HKAARM CSc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795966 569096377 /nfs/dbraw/zinc/09/63/77/569096377.db2.gz LLMFPFBYVQYRNX-MRXNPFEDSA-N -1 0 409.532 5.618 50 0 HKAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795970 569096345 /nfs/dbraw/zinc/09/63/45/569096345.db2.gz ZPNBDMDYGWZVLX-KRWDZBQOSA-N -1 0 407.491 5.295 50 0 HKAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795973 569096383 /nfs/dbraw/zinc/09/63/83/569096383.db2.gz ZPNBDMDYGWZVLX-QGZVFWFLSA-N -1 0 407.491 5.295 50 0 HKAARM CCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795977 569096373 /nfs/dbraw/zinc/09/63/73/569096373.db2.gz ODVVURCNSFPEQC-SFHVURJKSA-N -1 0 421.518 5.685 50 0 HKAARM CCCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795981 569096371 /nfs/dbraw/zinc/09/63/71/569096371.db2.gz ODVVURCNSFPEQC-GOSISDBHSA-N -1 0 421.518 5.685 50 0 HKAARM CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)ccc1O ZINC000064796021 569096418 /nfs/dbraw/zinc/09/64/18/569096418.db2.gz UGFNFRQPVICPGU-HNNXBMFYSA-N -1 0 423.490 5.000 50 0 HKAARM CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)ccc1O ZINC000064796023 569096411 /nfs/dbraw/zinc/09/64/11/569096411.db2.gz UGFNFRQPVICPGU-OAHLLOKOSA-N -1 0 423.490 5.000 50 0 HKAARM CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c1 ZINC000064796088 569096353 /nfs/dbraw/zinc/09/63/53/569096353.db2.gz UPNIGFQKTLHLTQ-KRWDZBQOSA-N -1 0 407.491 5.295 50 0 HKAARM CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c1 ZINC000064796093 569096482 /nfs/dbraw/zinc/09/64/82/569096482.db2.gz UPNIGFQKTLHLTQ-QGZVFWFLSA-N -1 0 407.491 5.295 50 0 HKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OC(C)C)cc2)CC(=O)N3)cc1 ZINC000064796117 569096476 /nfs/dbraw/zinc/09/64/76/569096476.db2.gz NUPWSGJZUCYTEZ-SFHVURJKSA-N -1 0 421.518 5.683 50 0 HKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(OC(C)C)cc2)CC(=O)N3)cc1 ZINC000064796120 569096467 /nfs/dbraw/zinc/09/64/67/569096467.db2.gz NUPWSGJZUCYTEZ-GOSISDBHSA-N -1 0 421.518 5.683 50 0 HKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccccc2OC(C)C)CC(=O)N3)cc1 ZINC000064796123 569096452 /nfs/dbraw/zinc/09/64/52/569096452.db2.gz JWNFXWPYDJWVSE-KRWDZBQOSA-N -1 0 421.518 5.683 50 0 HKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccccc2OC(C)C)CC(=O)N3)cc1 ZINC000064796126 569096464 /nfs/dbraw/zinc/09/64/64/569096464.db2.gz JWNFXWPYDJWVSE-QGZVFWFLSA-N -1 0 421.518 5.683 50 0 HKAARM CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(C)cc1 ZINC000064796232 569096478 /nfs/dbraw/zinc/09/64/78/569096478.db2.gz SPRGFJYZGSDVRN-KRWDZBQOSA-N -1 0 421.518 5.685 50 0 HKAARM CCCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(C)cc1 ZINC000064796237 569096472 /nfs/dbraw/zinc/09/64/72/569096472.db2.gz SPRGFJYZGSDVRN-QGZVFWFLSA-N -1 0 421.518 5.685 50 0 HKAARM CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000064796313 569096466 /nfs/dbraw/zinc/09/64/66/569096466.db2.gz DYXRIDFMPQQXBG-HNNXBMFYSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000064796318 569096474 /nfs/dbraw/zinc/09/64/74/569096474.db2.gz DYXRIDFMPQQXBG-OAHLLOKOSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000064796357 569096493 /nfs/dbraw/zinc/09/64/93/569096493.db2.gz MFBOFIPKPRPIIZ-INIZCTEOSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000064796361 569096497 /nfs/dbraw/zinc/09/64/97/569096497.db2.gz MFBOFIPKPRPIIZ-MRXNPFEDSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000064796433 569096471 /nfs/dbraw/zinc/09/64/71/569096471.db2.gz LPQUCKYHBLZRFZ-INIZCTEOSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000064796438 569096487 /nfs/dbraw/zinc/09/64/87/569096487.db2.gz LPQUCKYHBLZRFZ-MRXNPFEDSA-N -1 0 411.454 5.125 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccccc1Cl ZINC000064796529 569096462 /nfs/dbraw/zinc/09/64/62/569096462.db2.gz DRRUOLWNMYDIKF-ZDUSSCGKSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccccc1Cl ZINC000064796530 569096459 /nfs/dbraw/zinc/09/64/59/569096459.db2.gz DRRUOLWNMYDIKF-CYBMUJFWSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(F)cc1Cl ZINC000064796618 569096480 /nfs/dbraw/zinc/09/64/80/569096480.db2.gz FVLNPYAFSKAYFG-ZDUSSCGKSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(F)cc1Cl ZINC000064796622 569096488 /nfs/dbraw/zinc/09/64/88/569096488.db2.gz FVLNPYAFSKAYFG-CYBMUJFWSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cc(Cl)ccc1F ZINC000064796626 569096481 /nfs/dbraw/zinc/09/64/81/569096481.db2.gz OUGLWMOWHYDZAV-ZDUSSCGKSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cc(Cl)ccc1F ZINC000064796629 569096477 /nfs/dbraw/zinc/09/64/77/569096477.db2.gz OUGLWMOWHYDZAV-CYBMUJFWSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1c(F)cccc1F ZINC000064796633 569096499 /nfs/dbraw/zinc/09/64/99/569096499.db2.gz JEJHGSVJXODGEH-NSHDSACASA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1c(F)cccc1F ZINC000064796635 569096485 /nfs/dbraw/zinc/09/64/85/569096485.db2.gz JEJHGSVJXODGEH-LLVKDONJSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(F)c(F)c1 ZINC000064796640 569096490 /nfs/dbraw/zinc/09/64/90/569096490.db2.gz SJRSRTGZZPKPNF-LBPRGKRZSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(F)c(F)c1 ZINC000064796644 569096502 /nfs/dbraw/zinc/09/65/02/569096502.db2.gz SJRSRTGZZPKPNF-GFCCVEGCSA-N -1 0 403.381 5.005 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000064796683 569096486 /nfs/dbraw/zinc/09/64/86/569096486.db2.gz WGPARMPVIVDPSK-KRWDZBQOSA-N -1 0 407.491 5.213 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000064796686 569096470 /nfs/dbraw/zinc/09/64/70/569096470.db2.gz WGPARMPVIVDPSK-QGZVFWFLSA-N -1 0 407.491 5.213 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000064796689 569096484 /nfs/dbraw/zinc/09/64/84/569096484.db2.gz HWAVQNZMKWYGFL-KRWDZBQOSA-N -1 0 407.491 5.213 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000064796693 569096450 /nfs/dbraw/zinc/09/64/50/569096450.db2.gz HWAVQNZMKWYGFL-QGZVFWFLSA-N -1 0 407.491 5.213 50 0 HKAARM CCc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1 ZINC000064796697 559276996 /nfs/dbraw/zinc/27/69/96/559276996.db2.gz KMPNCVRINZBJRZ-KRWDZBQOSA-N -1 0 407.491 5.158 50 0 HKAARM CCc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1 ZINC000064796700 569096473 /nfs/dbraw/zinc/09/64/73/569096473.db2.gz KMPNCVRINZBJRZ-QGZVFWFLSA-N -1 0 407.491 5.158 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccccc2Cl)CC(=O)N3)cc1 ZINC000064797037 569096730 /nfs/dbraw/zinc/09/67/30/569096730.db2.gz QLIHHFTYJNTKIT-AWEZNQCLSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccccc2Cl)CC(=O)N3)cc1 ZINC000064797039 569096738 /nfs/dbraw/zinc/09/67/38/569096738.db2.gz QLIHHFTYJNTKIT-CQSZACIVSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccc(Cl)c2)CC(=O)N3)cc1 ZINC000064797042 569096806 /nfs/dbraw/zinc/09/68/06/569096806.db2.gz KXLHQHSRUMQGJZ-HNNXBMFYSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(Cl)c2)CC(=O)N3)cc1 ZINC000064797044 569096808 /nfs/dbraw/zinc/09/68/08/569096808.db2.gz KXLHQHSRUMQGJZ-OAHLLOKOSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(Cl)cc2)CC(=O)N3)cc1 ZINC000064797046 569096741 /nfs/dbraw/zinc/09/67/41/569096741.db2.gz SEEBTUJADYXKLX-HNNXBMFYSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(Cl)cc2)CC(=O)N3)cc1 ZINC000064797048 569096787 /nfs/dbraw/zinc/09/67/87/569096787.db2.gz SEEBTUJADYXKLX-OAHLLOKOSA-N -1 0 413.882 5.249 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000064797105 569096858 /nfs/dbraw/zinc/09/68/58/569096858.db2.gz QJLXWPLFICPUCQ-SFHVURJKSA-N -1 0 421.518 5.719 50 0 HKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000064797108 569096857 /nfs/dbraw/zinc/09/68/57/569096857.db2.gz QJLXWPLFICPUCQ-GOSISDBHSA-N -1 0 421.518 5.719 50 0 HKAARM CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1cccc(F)c1 ZINC000064797298 569096468 /nfs/dbraw/zinc/09/64/68/569096468.db2.gz MDIUJAFFUWSKGL-HNNXBMFYSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1cccc(F)c1 ZINC000064797301 569096492 /nfs/dbraw/zinc/09/64/92/569096492.db2.gz MDIUJAFFUWSKGL-OAHLLOKOSA-N -1 0 411.454 5.125 50 0 HKAARM CSc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797346 569096585 /nfs/dbraw/zinc/09/65/85/569096585.db2.gz RSIKPLONTGWUPI-HNNXBMFYSA-N -1 0 413.495 5.448 50 0 HKAARM CSc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797348 569096579 /nfs/dbraw/zinc/09/65/79/569096579.db2.gz RSIKPLONTGWUPI-OAHLLOKOSA-N -1 0 413.495 5.448 50 0 HKAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797349 569096588 /nfs/dbraw/zinc/09/65/88/569096588.db2.gz ZPNPZXTZJJJNQR-INIZCTEOSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797354 569096577 /nfs/dbraw/zinc/09/65/77/569096577.db2.gz ZPNPZXTZJJJNQR-MRXNPFEDSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797455 569096612 /nfs/dbraw/zinc/09/66/12/569096612.db2.gz NGKSLTQOBVBZKG-INIZCTEOSA-N -1 0 411.454 5.125 50 0 HKAARM CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797458 569096591 /nfs/dbraw/zinc/09/65/91/569096591.db2.gz NGKSLTQOBVBZKG-MRXNPFEDSA-N -1 0 411.454 5.125 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccc(F)cc1F ZINC000064797531 569096606 /nfs/dbraw/zinc/09/66/06/569096606.db2.gz GUZLNWZUXYYHSM-ZDUSSCGKSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccc(F)cc1F ZINC000064797534 569096573 /nfs/dbraw/zinc/09/65/73/569096573.db2.gz GUZLNWZUXYYHSM-CYBMUJFWSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1cccc(F)c1F ZINC000064797539 569096609 /nfs/dbraw/zinc/09/66/09/569096609.db2.gz QUCSVGPDSHUFNM-LBPRGKRZSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1cccc(F)c1F ZINC000064797542 569096566 /nfs/dbraw/zinc/09/65/66/569096566.db2.gz QUCSVGPDSHUFNM-GFCCVEGCSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1cc(F)ccc1F ZINC000064797544 569096580 /nfs/dbraw/zinc/09/65/80/569096580.db2.gz RXGLWMAGWHIXRC-ZDUSSCGKSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1cc(F)ccc1F ZINC000064797547 569096584 /nfs/dbraw/zinc/09/65/84/569096584.db2.gz RXGLWMAGWHIXRC-CYBMUJFWSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1c(F)cccc1Cl ZINC000064797560 569096597 /nfs/dbraw/zinc/09/65/97/569096597.db2.gz RNVAZUPSDRJBEW-NSHDSACASA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1c(F)cccc1Cl ZINC000064797564 569096605 /nfs/dbraw/zinc/09/66/05/569096605.db2.gz RNVAZUPSDRJBEW-LLVKDONJSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccccc1Cl ZINC000064797592 569096615 /nfs/dbraw/zinc/09/66/15/569096615.db2.gz DMXIJJJTVXDRTL-ZDUSSCGKSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccccc1Cl ZINC000064797596 569096602 /nfs/dbraw/zinc/09/66/02/569096602.db2.gz DMXIJJJTVXDRTL-CYBMUJFWSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1cccc(Cl)c1 ZINC000064797600 569096582 /nfs/dbraw/zinc/09/65/82/569096582.db2.gz PDDWBPBCWOAZIF-AWEZNQCLSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1cccc(Cl)c1 ZINC000064797605 569096611 /nfs/dbraw/zinc/09/66/11/569096611.db2.gz PDDWBPBCWOAZIF-CQSZACIVSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000064797608 569096601 /nfs/dbraw/zinc/09/66/01/569096601.db2.gz UNBRWSDOAAARDD-AWEZNQCLSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000064797612 569096586 /nfs/dbraw/zinc/09/65/86/569096586.db2.gz UNBRWSDOAAARDD-CQSZACIVSA-N -1 0 401.846 5.380 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccc(F)cc1Cl ZINC000064797813 569096590 /nfs/dbraw/zinc/09/65/90/569096590.db2.gz YKKZSCLVGQOGJX-ZDUSSCGKSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccc(F)cc1Cl ZINC000064797816 569096592 /nfs/dbraw/zinc/09/65/92/569096592.db2.gz YKKZSCLVGQOGJX-CYBMUJFWSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1cc(Cl)ccc1F ZINC000064797820 569096613 /nfs/dbraw/zinc/09/66/13/569096613.db2.gz GMHSICGMOCNTJA-ZDUSSCGKSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1cc(Cl)ccc1F ZINC000064797823 569096571 /nfs/dbraw/zinc/09/65/71/569096571.db2.gz GMHSICGMOCNTJA-CYBMUJFWSA-N -1 0 419.836 5.519 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1c(F)cccc1F ZINC000064797826 569096599 /nfs/dbraw/zinc/09/65/99/569096599.db2.gz RBNLSZLYFBLTQV-NSHDSACASA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1c(F)cccc1F ZINC000064797828 569096589 /nfs/dbraw/zinc/09/65/89/569096589.db2.gz RBNLSZLYFBLTQV-LLVKDONJSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccc(F)c(F)c1 ZINC000064797830 569096616 /nfs/dbraw/zinc/09/66/16/569096616.db2.gz RGQRICCIARSJMO-LBPRGKRZSA-N -1 0 403.381 5.005 50 0 HKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccc(F)c(F)c1 ZINC000064797833 569096610 /nfs/dbraw/zinc/09/66/10/569096610.db2.gz RGQRICCIARSJMO-GFCCVEGCSA-N -1 0 403.381 5.005 50 0 HKAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl ZINC000064820255 569102517 /nfs/dbraw/zinc/10/25/17/569102517.db2.gz IQUGKAKCQXYWDH-UHFFFAOYSA-N -1 0 408.885 5.317 50 0 HKAARM CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl ZINC000064820271 569102490 /nfs/dbraw/zinc/10/24/90/569102490.db2.gz NOVKQSIGNDUQCQ-UHFFFAOYSA-N -1 0 402.922 5.409 50 0 HKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)cc1 ZINC000064820304 569102554 /nfs/dbraw/zinc/10/25/54/569102554.db2.gz TZEJXABSWISYMH-UHFFFAOYSA-N -1 0 416.521 5.752 50 0 HKAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820330 569102542 /nfs/dbraw/zinc/10/25/42/569102542.db2.gz KCZQSXXDCVRUHZ-UHFFFAOYSA-N -1 0 408.885 5.317 50 0 HKAARM CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820351 569102502 /nfs/dbraw/zinc/10/25/02/569102502.db2.gz AEHXJZXHOOUMFE-UHFFFAOYSA-N -1 0 402.922 5.409 50 0 HKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000064820486 569102701 /nfs/dbraw/zinc/10/27/01/569102701.db2.gz YJZMWHFSJKBDME-UHFFFAOYSA-N -1 0 416.521 5.752 50 0 HKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C)c1 ZINC000064820525 569102702 /nfs/dbraw/zinc/10/27/02/569102702.db2.gz PCEBVZSAGHNLSA-UHFFFAOYSA-N -1 0 416.521 5.752 50 0 HKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820610 569102675 /nfs/dbraw/zinc/10/26/75/569102675.db2.gz JUEXVNRYIAYNJM-UHFFFAOYSA-N -1 0 402.494 5.444 50 0 HKAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820709 569102653 /nfs/dbraw/zinc/10/26/53/569102653.db2.gz XYGVHFUCUZDRJJ-UHFFFAOYSA-N -1 0 419.319 5.026 50 0 HKAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820728 569102657 /nfs/dbraw/zinc/10/26/57/569102657.db2.gz YNEXQYUMGKRILM-UHFFFAOYSA-N -1 0 408.885 5.317 50 0 HKAARM CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820749 569102688 /nfs/dbraw/zinc/10/26/88/569102688.db2.gz KHADKKCJWPKWKF-UHFFFAOYSA-N -1 0 402.922 5.409 50 0 HKAARM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000064837451 569104626 /nfs/dbraw/zinc/10/46/26/569104626.db2.gz VGRBVGBAVDGRSY-UHFFFAOYSA-N -1 0 410.417 5.086 50 0 HKAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)on1 ZINC000064845309 569108061 /nfs/dbraw/zinc/10/80/61/569108061.db2.gz DTOBOKVHNXSZED-UHFFFAOYSA-N -1 0 416.446 5.148 50 0 HKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C ZINC000064845698 569108135 /nfs/dbraw/zinc/10/81/35/569108135.db2.gz BUXCNPGUXOZONJ-UHFFFAOYSA-N -1 0 410.948 5.399 50 0 HKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1C ZINC000064845702 569108082 /nfs/dbraw/zinc/10/80/82/569108082.db2.gz FTGJMBOZUCMUBN-UHFFFAOYSA-N -1 0 410.948 5.399 50 0 HKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2C)c1C ZINC000064845785 569108165 /nfs/dbraw/zinc/10/81/65/569108165.db2.gz ULXGQNTYZQSIHX-UHFFFAOYSA-N -1 0 410.948 5.399 50 0 HKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1C ZINC000064845788 569108174 /nfs/dbraw/zinc/10/81/74/569108174.db2.gz PHWIFAXGIPLYLC-UHFFFAOYSA-N -1 0 410.948 5.399 50 0 HKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1C ZINC000064845810 569108248 /nfs/dbraw/zinc/10/82/48/569108248.db2.gz AUMWWLFWCNMBPD-UHFFFAOYSA-N -1 0 404.557 5.363 50 0 HKAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C ZINC000064845825 569108190 /nfs/dbraw/zinc/10/81/90/569108190.db2.gz IBWYAVZJSZWIIX-UHFFFAOYSA-N -1 0 404.557 5.308 50 0 HKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1C ZINC000064845838 569108233 /nfs/dbraw/zinc/10/82/33/569108233.db2.gz PKEGZNDQKGSFFO-UHFFFAOYSA-N -1 0 404.557 5.561 50 0 HKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1C ZINC000064845860 569108242 /nfs/dbraw/zinc/10/82/42/569108242.db2.gz KMGNWSXHJGXXND-UHFFFAOYSA-N -1 0 414.911 5.230 50 0 HKAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065003998 569152367 /nfs/dbraw/zinc/15/23/67/569152367.db2.gz KEOLSLPKQWQUNK-UHFFFAOYSA-N -1 0 414.430 5.100 50 0 HKAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004149 569152335 /nfs/dbraw/zinc/15/23/35/569152335.db2.gz USHKQLUSZHNCSP-UHFFFAOYSA-N -1 0 414.430 5.100 50 0 HKAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004255 569152308 /nfs/dbraw/zinc/15/23/08/569152308.db2.gz JMZSRQAKBAMNNI-UHFFFAOYSA-N -1 0 408.932 5.433 50 0 HKAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004363 569152508 /nfs/dbraw/zinc/15/25/08/569152508.db2.gz JGXVPAWLKXJVCZ-UHFFFAOYSA-N -1 0 408.932 5.433 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1Cl ZINC000065004366 569152475 /nfs/dbraw/zinc/15/24/75/569152475.db2.gz UXSFNVMNYJWAOS-UHFFFAOYSA-N -1 0 408.932 5.433 50 0 HKAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c(C)c1 ZINC000065004389 569152436 /nfs/dbraw/zinc/15/24/36/569152436.db2.gz YWQYNLQIUKOBHN-UHFFFAOYSA-N -1 0 402.541 5.397 50 0 HKAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004415 569152471 /nfs/dbraw/zinc/15/24/71/569152471.db2.gz NSUHVDMHNILPRU-UHFFFAOYSA-N -1 0 402.541 5.342 50 0 HKAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004428 569152405 /nfs/dbraw/zinc/15/24/05/569152405.db2.gz DLDKATNKDPQKGN-UHFFFAOYSA-N -1 0 402.541 5.595 50 0 HKAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004463 569152452 /nfs/dbraw/zinc/15/24/52/569152452.db2.gz WWOHQOFPFPMNFG-UHFFFAOYSA-N -1 0 424.931 5.133 50 0 HKAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004467 569152495 /nfs/dbraw/zinc/15/24/95/569152495.db2.gz GTNIGEVHFFPYDQ-UHFFFAOYSA-N -1 0 412.895 5.264 50 0 HKAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1Cl ZINC000065004470 569152480 /nfs/dbraw/zinc/15/24/80/569152480.db2.gz FQWKKBLSWXZINQ-UHFFFAOYSA-N -1 0 424.931 5.133 50 0 HKAARM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004486 569152492 /nfs/dbraw/zinc/15/24/92/569152492.db2.gz ORXPWNVUBUAWBZ-UHFFFAOYSA-N -1 0 412.895 5.264 50 0 HKAARM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004574 558969171 /nfs/dbraw/zinc/96/91/71/558969171.db2.gz SRBJBNABNYKNOM-UHFFFAOYSA-N -1 0 410.467 5.140 50 0 HKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004576 558969217 /nfs/dbraw/zinc/96/92/17/558969217.db2.gz JMGKRCUUQJGAOP-UHFFFAOYSA-N -1 0 416.524 5.064 50 0 HKAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004600 558969236 /nfs/dbraw/zinc/96/92/36/558969236.db2.gz OMXFETUAAUOCQZ-UHFFFAOYSA-N -1 0 408.932 5.515 50 0 HKAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004602 558969249 /nfs/dbraw/zinc/96/92/49/558969249.db2.gz LBYPRDPGDUSHKN-UHFFFAOYSA-N -1 0 408.932 5.515 50 0 HKAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004615 558969271 /nfs/dbraw/zinc/96/92/71/558969271.db2.gz KVDVTNRFJUZOTB-UHFFFAOYSA-N -1 0 422.959 5.823 50 0 HKAARM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004634 558969196 /nfs/dbraw/zinc/96/91/96/558969196.db2.gz ZLOSREPOMVZHJF-UHFFFAOYSA-N -1 0 410.467 5.140 50 0 HKAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1C ZINC000065004640 558969458 /nfs/dbraw/zinc/96/94/58/558969458.db2.gz QZXXEOJBTORQGM-UHFFFAOYSA-N -1 0 402.541 5.478 50 0 HKAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004643 558969508 /nfs/dbraw/zinc/96/95/08/558969508.db2.gz QCAUMDZILOBVEI-UHFFFAOYSA-N -1 0 402.541 5.478 50 0 HKAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004648 558969494 /nfs/dbraw/zinc/96/94/94/558969494.db2.gz ONQWCRWZERWDLZ-UHFFFAOYSA-N -1 0 402.541 5.424 50 0 HKAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004651 558969461 /nfs/dbraw/zinc/96/94/61/558969461.db2.gz WZDXSGBXORZOJD-UHFFFAOYSA-N -1 0 402.541 5.424 50 0 HKAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004677 558969405 /nfs/dbraw/zinc/96/94/05/558969405.db2.gz WUAZHQUPCUCZEQ-UHFFFAOYSA-N -1 0 418.540 5.260 50 0 HKAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004713 558969480 /nfs/dbraw/zinc/96/94/80/558969480.db2.gz PISYIABFZBURDP-UHFFFAOYSA-N -1 0 422.959 5.823 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1Cl ZINC000065004715 558969411 /nfs/dbraw/zinc/96/94/11/558969411.db2.gz UNRUMDYBESKULD-UHFFFAOYSA-N -1 0 422.959 5.823 50 0 HKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004718 558969446 /nfs/dbraw/zinc/96/94/46/558969446.db2.gz DIYCHIXYZQNPFL-UHFFFAOYSA-N -1 0 402.541 5.478 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c(C)c1 ZINC000065004720 558969512 /nfs/dbraw/zinc/96/95/12/558969512.db2.gz KPXCRZXJEKAWME-UHFFFAOYSA-N -1 0 402.541 5.478 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1C ZINC000065004738 558969500 /nfs/dbraw/zinc/96/95/00/558969500.db2.gz NUVGKJBVMKGCFV-UHFFFAOYSA-N -1 0 402.541 5.478 50 0 HKAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c(C)c1 ZINC000065004743 558969468 /nfs/dbraw/zinc/96/94/68/558969468.db2.gz DZVNIEWHBXSNCK-UHFFFAOYSA-N -1 0 416.568 5.787 50 0 HKAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004749 558969424 /nfs/dbraw/zinc/96/94/24/558969424.db2.gz NCVWOVMTLYCYPW-UHFFFAOYSA-N -1 0 402.541 5.478 50 0 HKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004752 558969476 /nfs/dbraw/zinc/96/94/76/558969476.db2.gz FYRVUPKDMXJTGJ-UHFFFAOYSA-N -1 0 416.524 5.064 50 0 HKAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004768 558969472 /nfs/dbraw/zinc/96/94/72/558969472.db2.gz CTBYYYCGNGWAQH-UHFFFAOYSA-N -1 0 416.568 5.732 50 0 HKAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004779 558969484 /nfs/dbraw/zinc/96/94/84/558969484.db2.gz ZRFBKIYNTPRJGM-UHFFFAOYSA-N -1 0 416.568 5.985 50 0 HKAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004782 558969420 /nfs/dbraw/zinc/96/94/20/558969420.db2.gz AYMBKHNJWZEEFA-UHFFFAOYSA-N -1 0 402.541 5.424 50 0 HKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1F ZINC000065004807 558969449 /nfs/dbraw/zinc/96/94/49/558969449.db2.gz NUPKCXIECMYRHB-UHFFFAOYSA-N -1 0 406.504 5.309 50 0 HKAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004824 558969409 /nfs/dbraw/zinc/96/94/09/558969409.db2.gz HJMBTEHWDSVCJL-UHFFFAOYSA-N -1 0 418.540 5.260 50 0 HKAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004843 558969434 /nfs/dbraw/zinc/96/94/34/558969434.db2.gz CXRVKYAJBPCOPM-UHFFFAOYSA-N -1 0 406.504 5.309 50 0 HKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004852 558969667 /nfs/dbraw/zinc/96/96/67/558969667.db2.gz YYJDCQKCWZMISP-UHFFFAOYSA-N -1 0 418.540 5.179 50 0 HKAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1C(C)C ZINC000065060167 569163976 /nfs/dbraw/zinc/16/39/76/569163976.db2.gz XHBIOLOOTMVSQM-UHFFFAOYSA-N -1 0 416.568 5.441 50 0 HKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1C(C)C ZINC000065060173 569163965 /nfs/dbraw/zinc/16/39/65/569163965.db2.gz ABLZQTNHVQOZFJ-UHFFFAOYSA-N -1 0 416.568 5.360 50 0 HKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1C(C)C ZINC000065060175 569163853 /nfs/dbraw/zinc/16/38/53/569163853.db2.gz OHBIUMAATLZLJZ-UHFFFAOYSA-N -1 0 402.541 5.051 50 0 HKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000065060268 569164033 /nfs/dbraw/zinc/16/40/33/569164033.db2.gz PUVIXFXCQWRSLD-UHFFFAOYSA-N -1 0 416.568 5.243 50 0 HKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1c(C)cccc1CC ZINC000065060275 569164020 /nfs/dbraw/zinc/16/40/20/569164020.db2.gz OOQVDXUKJUAIAF-UHFFFAOYSA-N -1 0 416.568 5.189 50 0 HKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000065060279 569164100 /nfs/dbraw/zinc/16/41/00/569164100.db2.gz SWKUUESNGLLRMV-UHFFFAOYSA-N -1 0 416.568 5.441 50 0 HKAARM CCc1csc(-c2csc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000065116802 569179965 /nfs/dbraw/zinc/17/99/65/569179965.db2.gz QQNKNSITYICYHV-UHFFFAOYSA-N -1 0 418.487 5.254 50 0 HKAARM O=C(Nc1cc(Cl)ccc1Cl)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCCC3 ZINC000065150548 569184958 /nfs/dbraw/zinc/18/49/58/569184958.db2.gz CXNJSALQCUZPEZ-UHFFFAOYSA-N -1 0 423.321 5.123 50 0 HKAARM COc1ccccc1-c1cc(-c2ccccc2)nc2sc3c([nH]c(=O)cc3[O-])c21 ZINC000065363432 558974638 /nfs/dbraw/zinc/97/46/38/558974638.db2.gz DJCUAASDLMJSSJ-UHFFFAOYSA-N -1 0 400.459 5.186 50 0 HKAARM O=c1cc([O-])c2sc3nc4c(c(C(F)(F)F)c3c2[nH]1)C[C@H](c1ccccc1)CC4 ZINC000065365144 558976197 /nfs/dbraw/zinc/97/61/97/558976197.db2.gz ZCXPEDBXMWCLTK-LLVKDONJSA-N -1 0 416.424 5.135 50 0 HKAARM O=c1cc([O-])c2sc3nc4c(c(C(F)(F)F)c3c2[nH]1)C[C@@H](c1ccccc1)CC4 ZINC000065365145 558976223 /nfs/dbraw/zinc/97/62/23/558976223.db2.gz ZCXPEDBXMWCLTK-NSHDSACASA-N -1 0 416.424 5.135 50 0 HKAARM COc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)cc1 ZINC000067299796 571073370 /nfs/dbraw/zinc/07/33/70/571073370.db2.gz JCPVPOJTVXTMGI-UHFFFAOYSA-N -1 0 424.250 5.631 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@H](c2cccs2)C1 ZINC000068734536 571134537 /nfs/dbraw/zinc/13/45/37/571134537.db2.gz PKIIEHJWGZZTDA-FQEVSTJZSA-N -1 0 419.527 6.226 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@@H](c2cccs2)C1 ZINC000068734539 571134544 /nfs/dbraw/zinc/13/45/44/571134544.db2.gz PKIIEHJWGZZTDA-HXUWFJFHSA-N -1 0 419.527 6.226 50 0 HKAARM CSc1nc2ccc3nc([N-]c4nc5c(ccc(C)c5C)s4)sc3c2s1 ZINC000070655609 571271643 /nfs/dbraw/zinc/27/16/43/571271643.db2.gz AABBRALHQRPNPN-UHFFFAOYSA-N -1 0 414.606 6.598 50 0 HKAARM O=C([O-])c1c2c(nc3c(Cl)cc(Cl)cc13)/C(=C/c1ccc(Cl)cc1)CC2 ZINC000071769319 558910909 /nfs/dbraw/zinc/91/09/09/558910909.db2.gz BQYWSBGTBZBNPS-YRNVUSSQSA-N -1 0 404.680 6.380 50 0 HKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000071769563 569359062 /nfs/dbraw/zinc/35/90/62/569359062.db2.gz BDHCRLNWAYVODZ-DUPSYKMDSA-N -1 0 416.646 6.598 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000071769565 569359046 /nfs/dbraw/zinc/35/90/46/569359046.db2.gz BDHCRLNWAYVODZ-YMURRSSUSA-N -1 0 416.646 6.598 50 0 HKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000071769567 569359107 /nfs/dbraw/zinc/35/91/07/569359107.db2.gz BDHCRLNWAYVODZ-YTDVASOBSA-N -1 0 416.646 6.598 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000071769569 569359074 /nfs/dbraw/zinc/35/90/74/569359074.db2.gz BDHCRLNWAYVODZ-ZSYRLAJZSA-N -1 0 416.646 6.598 50 0 HKAARM Cc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(C(C)C)cc1Br ZINC000072414276 558891120 /nfs/dbraw/zinc/89/11/20/558891120.db2.gz AWGCYQPUJDHZRZ-UHFFFAOYSA-N -1 0 419.344 5.230 50 0 HKAARM O=C([O-])CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCCC1 ZINC000072481788 558984193 /nfs/dbraw/zinc/98/41/93/558984193.db2.gz CIACGWGSOHGIPF-UHFFFAOYSA-N -1 0 407.510 5.483 50 0 HKAARM CC1(C)[C@@H]2C[C@H]1[C@@](C)(NC(=O)OCC1c3ccccc3-c3ccccc31)[C@@H](C(=O)[O-])C2 ZINC000072481829 558984176 /nfs/dbraw/zinc/98/41/76/558984176.db2.gz KGKJQXNBHQWLCK-BHWIVQFVSA-N -1 0 419.521 5.051 50 0 HKAARM CC1(C)[C@H]2C[C@@H]1CC[C@@]2(CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481835 520684645 /nfs/dbraw/zinc/68/46/45/520684645.db2.gz VYOFHEZWSNWPCF-USUFYUJYSA-N -1 0 419.521 5.195 50 0 HKAARM CC1(C)[C@@H]2C[C@@H](C(=O)[O-])[C@@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]21 ZINC000072481837 558984219 /nfs/dbraw/zinc/98/42/19/558984219.db2.gz CQIJGQLLPQKSSM-QILISPFLSA-N -1 0 419.521 5.051 50 0 HKAARM COc1cc(/C=C(\C)C(=O)Nc2ccccc2C(=O)[O-])ccc1OCc1ccccc1 ZINC000077024543 558999135 /nfs/dbraw/zinc/99/91/35/558999135.db2.gz KKOAFSFGHWEKBY-SAPNQHFASA-N -1 0 417.461 5.014 50 0 HKAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(-c3ccc(Br)cc3)n2)c1 ZINC000078968829 569422430 /nfs/dbraw/zinc/42/24/30/569422430.db2.gz CSEOUKLZDVUOKN-UHFFFAOYSA-N -1 0 420.266 5.501 50 0 HKAARM [O-]c1c(Br)cc(/C=C\c2ccc3cccc(O)c3n2)cc1Br ZINC000083330324 568914878 /nfs/dbraw/zinc/91/48/78/568914878.db2.gz WYQQMKWEHOPOEY-XQRVVYSFSA-N -1 0 421.088 5.341 50 0 HKAARM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000084068079 568935428 /nfs/dbraw/zinc/93/54/28/568935428.db2.gz ODYMNLLTCXXAFZ-UHFFFAOYSA-N -1 0 415.776 5.194 50 0 HKAARM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1cc(-c2ccccc2Cl)on1 ZINC000084514455 568950061 /nfs/dbraw/zinc/95/00/61/568950061.db2.gz CALFKOYYIMHLAZ-UHFFFAOYSA-N -1 0 417.277 5.419 50 0 HKAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000089331178 569058363 /nfs/dbraw/zinc/05/83/63/569058363.db2.gz IFKHMZWBQKULNP-UHFFFAOYSA-N -1 0 401.871 5.136 50 0 HKAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000089331613 569058333 /nfs/dbraw/zinc/05/83/33/569058333.db2.gz GASOEMXWKPYAAQ-UHFFFAOYSA-N -1 0 401.871 5.136 50 0 HKAARM Cc1ccc(-c2nc(S(=O)(=O)[N-]c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000094992807 568593519 /nfs/dbraw/zinc/59/35/19/568593519.db2.gz GXSFVUMIWSRWPY-UHFFFAOYSA-N -1 0 406.532 5.586 50 0 HKAARM CCc1nc(Cc2nc(=O)c3sc(-c4ccccc4Cl)cc3[n-]2)sc1C ZINC000095364786 568601918 /nfs/dbraw/zinc/60/19/18/568601918.db2.gz BHTIUCPCLJURLR-UHFFFAOYSA-N -1 0 401.944 5.223 50 0 HKAARM O=C([N-]c1nc(-c2ccccc2)ns1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000095364816 568601912 /nfs/dbraw/zinc/60/19/12/568601912.db2.gz QVOOTFKYENSPRY-UHFFFAOYSA-N -1 0 420.108 5.466 50 0 HKAARM CCOc1cc(CNc2cc(C(=O)[O-])ccc2C)ccc1OCc1ccccc1C ZINC000095472041 568627244 /nfs/dbraw/zinc/62/72/44/568627244.db2.gz JPJWNPYIOZRSJP-UHFFFAOYSA-N -1 0 405.494 5.591 50 0 HKAARM COc1cccc(CNc2cc(C(=O)[O-])ccc2Cl)c1OCc1ccccc1C ZINC000095472048 568627348 /nfs/dbraw/zinc/62/73/48/568627348.db2.gz IXZVXTSTYHQMJS-UHFFFAOYSA-N -1 0 411.885 5.546 50 0 HKAARM CCOc1cc(CNc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000095472049 568627212 /nfs/dbraw/zinc/62/72/12/568627212.db2.gz SEKSEENZCGTXSE-UHFFFAOYSA-N -1 0 411.885 5.628 50 0 HKAARM CCOc1cc(CNc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 ZINC000095472057 568627189 /nfs/dbraw/zinc/62/71/89/568627189.db2.gz IMLSZFNMENKFJW-UHFFFAOYSA-N -1 0 411.885 5.628 50 0 HKAARM CCOc1cc(CNc2cccc(C(=O)[O-])c2C)ccc1OCc1ccccc1C ZINC000095472058 568627344 /nfs/dbraw/zinc/62/73/44/568627344.db2.gz GGLWBEJDJUBIII-UHFFFAOYSA-N -1 0 405.494 5.591 50 0 HKAARM Cc1nc2c(-c3ccccc3)c(COc3ccccc3)[n-]n2c(=O)c1Cc1ccccc1 ZINC000095483434 568635066 /nfs/dbraw/zinc/63/50/66/568635066.db2.gz AVSFWXJEXQMHJT-UHFFFAOYSA-N -1 0 421.500 5.580 50 0 HKAARM Cc1nc2c(-c3ccccc3)c(Cc3ccccc3)[n-]n2c(=O)c1Cc1ccccc1 ZINC000095483437 568635089 /nfs/dbraw/zinc/63/50/89/568635089.db2.gz GODSEEYEBQQOBU-UHFFFAOYSA-N -1 0 405.501 5.592 50 0 HKAARM COc1cc(-c2n[n-]c(=S)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000095929451 568660415 /nfs/dbraw/zinc/66/04/15/568660415.db2.gz ZQVLXWFAWIPRNW-UHFFFAOYSA-N -1 0 403.507 5.493 50 0 HKAARM COc1cc(-c2n[n-]c(=S)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000095929455 568660440 /nfs/dbraw/zinc/66/04/40/568660440.db2.gz DFQJGWSDWZGQEG-UHFFFAOYSA-N -1 0 423.925 5.838 50 0 HKAARM O=C([O-])C/C(=C\c1ccc(OCc2cscn2)cc1)c1nc2ccccc2s1 ZINC000096297785 568722528 /nfs/dbraw/zinc/72/25/28/568722528.db2.gz LJJOGCULIVUVOX-OQLLNIDSSA-N -1 0 408.504 5.347 50 0 HKAARM O=C([N-]c1nc(-c2ccccc2C(F)(F)F)ns1)c1cc(-c2cccs2)on1 ZINC000096345952 568737688 /nfs/dbraw/zinc/73/76/88/568737688.db2.gz PEOMBIPVYZEGMX-UHFFFAOYSA-N -1 0 422.413 5.193 50 0 HKAARM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000096363678 560848665 /nfs/dbraw/zinc/84/86/65/560848665.db2.gz LMLDQNATWXXTBO-UHFFFAOYSA-N -1 0 416.952 5.390 50 0 HKAARM CCCSc1nc2ccc([N-]S(=O)(=O)c3c(C)cccc3Cl)cc2s1 ZINC000096399593 568747983 /nfs/dbraw/zinc/74/79/83/568747983.db2.gz SHMYXNLMQQJYLA-UHFFFAOYSA-N -1 0 412.989 5.561 50 0 HKAARM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2nc(SC(C)C)sc2c1 ZINC000096399604 568747911 /nfs/dbraw/zinc/74/79/11/568747911.db2.gz RVBLUIGKAJNWMM-UHFFFAOYSA-N -1 0 412.989 5.559 50 0 HKAARM CC(C)CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000096399624 568748095 /nfs/dbraw/zinc/74/80/95/568748095.db2.gz VPWHNLGSODNFBH-UHFFFAOYSA-N -1 0 412.989 5.499 50 0 HKAARM CC(C)CSc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000096399625 568748211 /nfs/dbraw/zinc/74/82/11/568748211.db2.gz SHYPQUBNMZQBBW-UHFFFAOYSA-N -1 0 414.524 5.123 50 0 HKAARM CC(C)CSc1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000096399629 568748223 /nfs/dbraw/zinc/74/82/23/568748223.db2.gz TUGIASUTXKDMCJ-UHFFFAOYSA-N -1 0 414.524 5.123 50 0 HKAARM CC(C)CSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000096399630 568748132 /nfs/dbraw/zinc/74/81/32/568748132.db2.gz YQNCFRHDWIXVSN-UHFFFAOYSA-N -1 0 414.524 5.123 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@H](c2cccnc2)C1 ZINC000096581902 568762635 /nfs/dbraw/zinc/76/26/35/568762635.db2.gz FXQLHNJZIZUZBB-NRFANRHFSA-N -1 0 414.486 5.560 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@@H](c2cccnc2)C1 ZINC000096581904 568762643 /nfs/dbraw/zinc/76/26/43/568762643.db2.gz FXQLHNJZIZUZBB-OAQYLSRUSA-N -1 0 414.486 5.560 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2N[C@H](c2cccs2)C1 ZINC000096594059 568763490 /nfs/dbraw/zinc/76/34/90/568763490.db2.gz BRZJXVKCTITTEO-KRWDZBQOSA-N -1 0 402.475 5.546 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2N[C@@H](c2cccs2)C1 ZINC000096594060 568763439 /nfs/dbraw/zinc/76/34/39/568763439.db2.gz BRZJXVKCTITTEO-QGZVFWFLSA-N -1 0 402.475 5.546 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@H](c2ccco2)C1 ZINC000096602359 558981560 /nfs/dbraw/zinc/98/15/60/558981560.db2.gz ROUXYAIXLCMAPC-FQEVSTJZSA-N -1 0 403.459 5.758 50 0 HKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@@H](c2ccco2)C1 ZINC000096602360 558981610 /nfs/dbraw/zinc/98/16/10/558981610.db2.gz ROUXYAIXLCMAPC-HXUWFJFHSA-N -1 0 403.459 5.758 50 0 HKAARM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096839048 559112530 /nfs/dbraw/zinc/11/25/30/559112530.db2.gz GJBVMGSZBTVUCZ-KRWDZBQOSA-N -1 0 401.462 5.083 50 0 HKAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)cc1CCl ZINC000097985007 568721673 /nfs/dbraw/zinc/72/16/73/568721673.db2.gz SADCBUNOPAXMJV-UHFFFAOYSA-N -1 0 407.857 5.046 50 0 HKAARM O=C([O-])CCC/C(=C/c1cc2c(c(Cl)c1)OCO2)c1nc2ccccc2s1 ZINC000097996526 560758970 /nfs/dbraw/zinc/75/89/70/560758970.db2.gz POYXXWMMVSQOLY-JYRVWZFOSA-N -1 0 401.871 5.474 50 0 HKAARM O=C([N-]c1nc(-c2ccccc2C(F)(F)F)ns1)c1cc(-c2ccccc2)on1 ZINC000098086555 559065189 /nfs/dbraw/zinc/06/51/89/559065189.db2.gz BIZPXQAJQVEPNH-UHFFFAOYSA-N -1 0 416.384 5.131 50 0 HKAARM Cc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1cccc(Cl)c1 ZINC000100071930 559129502 /nfs/dbraw/zinc/12/95/02/559129502.db2.gz AYOVJSHAQCZOKA-UHFFFAOYSA-N -1 0 416.333 5.597 50 0 HKAARM CCc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccc(F)cc1 ZINC000100071934 559129505 /nfs/dbraw/zinc/12/95/05/559129505.db2.gz TXCYCYYOSQRFLH-UHFFFAOYSA-N -1 0 413.905 5.337 50 0 HKAARM O=C(C(=C([O-])c1ccc(-n2cccc2)cc1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100117568 559155718 /nfs/dbraw/zinc/15/57/18/559155718.db2.gz RBLRFWJHRWQNQJ-SXYIGIQMSA-N -1 0 415.455 5.624 50 0 HKAARM O=C(C(=C([O-])c1ccc(-n2cccc2)cc1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100117572 559155700 /nfs/dbraw/zinc/15/57/00/559155700.db2.gz RBLRFWJHRWQNQJ-LZGZYFLISA-N -1 0 415.455 5.624 50 0 HKAARM Cc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000100129052 559130181 /nfs/dbraw/zinc/13/01/81/559130181.db2.gz ZCIHEFRKHFWAAJ-UHFFFAOYSA-N -1 0 416.333 5.597 50 0 HKAARM Cc1cc(-c2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)n(-c2ccccc2)n1 ZINC000100334531 559134245 /nfs/dbraw/zinc/13/42/45/559134245.db2.gz OIRLBCUEDFJAEH-UHFFFAOYSA-N -1 0 413.506 5.171 50 0 HKAARM CCCc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1Cc1c(F)cccc1Cl ZINC000100397387 559134815 /nfs/dbraw/zinc/13/48/15/559134815.db2.gz OBASEVWDWUVUTI-OAHLLOKOSA-N -1 0 407.272 5.130 50 0 HKAARM CCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000100485713 569009781 /nfs/dbraw/zinc/00/97/81/569009781.db2.gz SDXCZGRCDDZSST-UHFFFAOYSA-N -1 0 405.281 5.066 50 0 HKAARM CCCCCCOc1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC)c2=O)cc1 ZINC000100498383 559135737 /nfs/dbraw/zinc/13/57/37/559135737.db2.gz PALUDZDFCMFWDF-UHFFFAOYSA-N -1 0 422.525 5.329 50 0 HKAARM CCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000100498469 569283687 /nfs/dbraw/zinc/28/36/87/569283687.db2.gz CSOKFSLPOUEBFK-UHFFFAOYSA-N -1 0 419.308 5.456 50 0 HKAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccccc3s2)c1=O ZINC000100498570 559135718 /nfs/dbraw/zinc/13/57/18/559135718.db2.gz FIJOEZCTWBGVED-UHFFFAOYSA-N -1 0 421.522 5.149 50 0 HKAARM CCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000100658322 559137532 /nfs/dbraw/zinc/13/75/32/559137532.db2.gz KESGJSYJMCLFOM-UHFFFAOYSA-N -1 0 405.281 5.066 50 0 HKAARM CCCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000100658323 559137550 /nfs/dbraw/zinc/13/75/50/559137550.db2.gz JFHQVTOSAMXCTR-UHFFFAOYSA-N -1 0 419.308 5.456 50 0 HKAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccc(C)cc3s2)c1=O ZINC000100658438 559137480 /nfs/dbraw/zinc/13/74/80/559137480.db2.gz LVRVBOLUAGPSDH-UHFFFAOYSA-N -1 0 421.522 5.068 50 0 HKAARM CCCCCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c([O-])c2ccccc21 ZINC000100679115 559254580 /nfs/dbraw/zinc/25/45/80/559254580.db2.gz WJCFGVXMBFPOTL-UHFFFAOYSA-N -1 0 418.415 5.168 50 0 HKAARM CCCCCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 ZINC000101065540 560769736 /nfs/dbraw/zinc/76/97/36/560769736.db2.gz WXLCKMGJTMCNGJ-UHFFFAOYSA-N -1 0 408.571 5.125 50 0 HKAARM O=C(C(Sc1ccc(Br)cc1)=C([O-])c1ccccc1)c1ccccc1 ZINC000101083397 559143125 /nfs/dbraw/zinc/14/31/25/559143125.db2.gz WOJRWFRWVINLIP-UHFFFAOYSA-N -1 0 411.320 5.676 50 0 HKAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000101832635 560803061 /nfs/dbraw/zinc/80/30/61/560803061.db2.gz KBILXZXUHDUNGD-UHFFFAOYSA-N -1 0 418.950 5.146 50 0 HKAARM CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccccc1F ZINC000102644542 560819783 /nfs/dbraw/zinc/81/97/83/560819783.db2.gz MNVVBVAILOADER-IBGZPJMESA-N -1 0 403.457 5.567 50 0 HKAARM CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1F ZINC000102644544 560819820 /nfs/dbraw/zinc/81/98/20/560819820.db2.gz MNVVBVAILOADER-LJQANCHMSA-N -1 0 403.457 5.567 50 0 HKAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2ccc(C)cc2)cc3=O)cc1OC ZINC000102726073 560821844 /nfs/dbraw/zinc/82/18/44/560821844.db2.gz YIZGPJWKYLYEJH-UHFFFAOYSA-N -1 0 421.522 5.028 50 0 HKAARM CCc1[n-]n2c(nc(C)c(Cc3ccc(Br)cc3)c2=O)c1-c1ccccc1 ZINC000102727220 559152236 /nfs/dbraw/zinc/15/22/36/559152236.db2.gz CKERSURHRBPZDW-UHFFFAOYSA-N -1 0 422.326 5.326 50 0 HKAARM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3ccc(O)cc3)C12 ZINC000102739286 560824820 /nfs/dbraw/zinc/82/48/20/560824820.db2.gz RUIWBTOVXBTOHA-BFUOFWGJSA-N -1 0 408.845 5.058 50 0 HKAARM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3ccc(O)cc3)C12 ZINC000102739288 560824760 /nfs/dbraw/zinc/82/47/60/560824760.db2.gz RUIWBTOVXBTOHA-YJYMSZOUSA-N -1 0 408.845 5.058 50 0 HKAARM O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3ccc(O)cc3)C12 ZINC000102739292 560824740 /nfs/dbraw/zinc/82/47/40/560824740.db2.gz RUIWBTOVXBTOHA-ORAYPTAESA-N -1 0 408.845 5.058 50 0 HKAARM O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3ccc(O)cc3)C12 ZINC000102739297 560824746 /nfs/dbraw/zinc/82/47/46/560824746.db2.gz RUIWBTOVXBTOHA-DJJJIMSYSA-N -1 0 408.845 5.058 50 0 HKAARM CCc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccc(OC)cc1 ZINC000102745037 559152501 /nfs/dbraw/zinc/15/25/01/559152501.db2.gz QFEITLDKTBECGA-UHFFFAOYSA-N -1 0 405.523 5.274 50 0 HKAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCCC2)c3=O)[C@H]1C ZINC000104134878 560848500 /nfs/dbraw/zinc/84/85/00/560848500.db2.gz QEMPFZUUBGDTRZ-VCBZYWHSSA-N -1 0 413.587 5.119 50 0 HKAARM CCCCCCCCC[C@H](Br)CCCCCCCCCCCC(=O)[O-] ZINC000104315847 571314319 /nfs/dbraw/zinc/31/43/19/571314319.db2.gz QTZKHUUUWFYKJG-NRFANRHFSA-N -1 0 419.488 8.266 50 0 HKAARM CCCCCCCCC[C@@H](Br)CCCCCCCCCCCC(=O)[O-] ZINC000104315853 571314327 /nfs/dbraw/zinc/31/43/27/571314327.db2.gz QTZKHUUUWFYKJG-OAQYLSRUSA-N -1 0 419.488 8.266 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915767 559205490 /nfs/dbraw/zinc/20/54/90/559205490.db2.gz PBSOPSDEYNTFAZ-ULCLHEGSSA-N -1 0 404.591 5.688 50 0 HKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118915794 559205536 /nfs/dbraw/zinc/20/55/36/559205536.db2.gz FCQRLHQHKFKTQE-XBMYGRBOSA-N -1 0 418.618 6.078 50 0 HKAARM O=c1c(C23CC4CC(CC(C4)C2)C3)c([O-])n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000136957256 560858491 /nfs/dbraw/zinc/85/84/91/560858491.db2.gz DLLNYJREMPPHIA-UHFFFAOYSA-N -1 0 414.505 5.019 50 0 HKAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(N(C)C)cc3)C2)c([O-])o1 ZINC000138449506 569108305 /nfs/dbraw/zinc/10/83/05/569108305.db2.gz JYBFWVDKZFVLNR-OAQYLSRUSA-N -1 0 406.507 5.078 50 0 HKAARM Cc1cc(C)c([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(C)c1 ZINC000142950152 571316774 /nfs/dbraw/zinc/31/67/74/571316774.db2.gz FXYABDYHWSWJEO-XMMPIXPASA-N -1 0 415.489 5.276 50 0 HKAARM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000145435592 557643165 /nfs/dbraw/zinc/64/31/65/557643165.db2.gz MITISYWSDVGRHI-PEBVRCNWSA-N -1 0 404.691 5.627 50 0 HKAARM CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000148240340 568736118 /nfs/dbraw/zinc/73/61/18/568736118.db2.gz RFFHDMSVOGQLQI-HSZRJFAPSA-N -1 0 415.489 5.172 50 0 HKAARM CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000148240522 568736050 /nfs/dbraw/zinc/73/60/50/568736050.db2.gz RFFHDMSVOGQLQI-QHCPKHFHSA-N -1 0 415.489 5.172 50 0 HKAARM CC(C)(C)C1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC1 ZINC000164435413 569281809 /nfs/dbraw/zinc/28/18/09/569281809.db2.gz AFFMYJVNULNSRY-UHFFFAOYSA-N -1 0 421.537 5.585 50 0 HKAARM C[C@H](C(=O)[O-])[C@@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C ZINC000169836204 560538196 /nfs/dbraw/zinc/53/81/96/560538196.db2.gz RMAHQTTWTWPMNQ-DLBZAZTESA-N -1 0 404.740 6.290 50 0 HKAARM O=C([N-]c1nnc(-c2ccc(C(F)(F)F)cc2)s1)c1cc(-c2cccs2)on1 ZINC000170623671 569249884 /nfs/dbraw/zinc/24/98/84/569249884.db2.gz GJNCGDZWOWFIHY-UHFFFAOYSA-N -1 0 422.413 5.193 50 0 HKAARM CCCCCCOc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1 ZINC000199910879 569319327 /nfs/dbraw/zinc/31/93/27/569319327.db2.gz QQPZUUMRFDMXOL-MRXNPFEDSA-N -1 0 420.509 5.036 50 0 HKAARM CCCCCCOc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1 ZINC000199910906 569319400 /nfs/dbraw/zinc/31/94/00/569319400.db2.gz QQPZUUMRFDMXOL-INIZCTEOSA-N -1 0 420.509 5.036 50 0 HKAARM Cc1cc(C)c([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(C)c1 ZINC000206581875 571317447 /nfs/dbraw/zinc/31/74/47/571317447.db2.gz FXYABDYHWSWJEO-DEOSSOPVSA-N -1 0 415.489 5.276 50 0 HKAARM O=C([O-])CC1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 ZINC000209053267 569293333 /nfs/dbraw/zinc/29/33/33/569293333.db2.gz WUJVPELCYCESAP-UHFFFAOYSA-N -1 0 405.844 5.490 50 0 in-vitro HKAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000216831951 568468148 /nfs/dbraw/zinc/46/81/48/568468148.db2.gz HNRGWJSEJPKUBW-UHFFFAOYSA-N -1 0 420.086 5.432 50 0 HKAARM COc1cc(C(=O)[O-])c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000216942174 568469590 /nfs/dbraw/zinc/46/95/90/568469590.db2.gz ODPVKPCJTXZOPD-UHFFFAOYSA-N -1 0 406.059 5.042 50 0 HKAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000226327310 568695007 /nfs/dbraw/zinc/69/50/07/568695007.db2.gz AXBKCKQWRYQCIV-UHFFFAOYSA-N -1 0 420.086 5.432 50 0 HKAARM C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1Cl ZINC000226772700 569279418 /nfs/dbraw/zinc/27/94/18/569279418.db2.gz AUUQKOXRZJMNTM-DEOSSOPVSA-N -1 0 421.880 5.179 50 0 HKAARM C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1Cl ZINC000226772702 569279353 /nfs/dbraw/zinc/27/93/53/569279353.db2.gz AUUQKOXRZJMNTM-XMMPIXPASA-N -1 0 421.880 5.179 50 0 HKAARM CC(C)[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000226773481 569279352 /nfs/dbraw/zinc/27/93/52/569279352.db2.gz ZZRCGMZZNNPUJQ-SANMLTNESA-N -1 0 415.489 5.161 50 0 HKAARM CC(C)[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000226773486 569279354 /nfs/dbraw/zinc/27/93/54/569279354.db2.gz ZZRCGMZZNNPUJQ-AREMUKBSSA-N -1 0 415.489 5.161 50 0 HKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)cccc1F ZINC000226851647 569279480 /nfs/dbraw/zinc/27/94/80/569279480.db2.gz YQNVBYKPZSXGEK-NRFANRHFSA-N -1 0 423.415 5.019 50 0 HKAARM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000230163036 559151374 /nfs/dbraw/zinc/15/13/74/559151374.db2.gz MITISYWSDVGRHI-QFSBIZTOSA-N -1 0 404.691 5.627 50 0 HKAARM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000230163041 559151370 /nfs/dbraw/zinc/15/13/70/559151370.db2.gz MITISYWSDVGRHI-PSTGCABASA-N -1 0 404.691 5.627 50 0 HKAARM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000230163048 559151353 /nfs/dbraw/zinc/15/13/53/559151353.db2.gz MITISYWSDVGRHI-BWACUDIHSA-N -1 0 404.691 5.627 50 0 HKAARM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000247421938 568965256 /nfs/dbraw/zinc/96/52/56/568965256.db2.gz RKRFFBBVYHOUSA-AFEXYSGWSA-N -1 0 403.909 5.933 50 0 HKAARM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N3C[C@@H]1CC=C[C@@H]21 ZINC000247421945 568965140 /nfs/dbraw/zinc/96/51/40/568965140.db2.gz RKRFFBBVYHOUSA-MZKGMKKXSA-N -1 0 403.909 5.933 50 0 HKAARM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000247421946 568965281 /nfs/dbraw/zinc/96/52/81/568965281.db2.gz RKRFFBBVYHOUSA-OWOGZFRHSA-N -1 0 403.909 5.933 50 0 HKAARM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N3C[C@H]1CC=C[C@@H]21 ZINC000247421952 568965168 /nfs/dbraw/zinc/96/51/68/568965168.db2.gz RKRFFBBVYHOUSA-UOCQJXFKSA-N -1 0 403.909 5.933 50 0 HKAARM CC[C@H]1[C@H]2C[C@@H](O)CC[C@@]2(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H](C)CCC(=O)[O-])[C@H]2[C@H]1O ZINC000249703433 569143956 /nfs/dbraw/zinc/14/39/56/569143956.db2.gz ZXERDUOLZKYMJM-LZJKRRIESA-N -1 0 420.634 5.114 50 0 HKAARM O=C([O-])c1ccccc1Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000252481526 569289035 /nfs/dbraw/zinc/28/90/35/569289035.db2.gz CNMVEVBRSPZEBY-UHFFFAOYSA-N -1 0 420.266 5.501 50 0 HKAARM Cc1cccc(N=C2N=C(SCC(=O)[O-])N(c3ccccc3)C23CCCCC3)c1 ZINC000252588652 569060511 /nfs/dbraw/zinc/06/05/11/569060511.db2.gz ADDBPPQZZBFGFH-UHFFFAOYSA-N -1 0 407.539 5.422 50 0 HKAARM Cc1ccc(N=c2scc(-c3ccc(C(=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000252594861 569296284 /nfs/dbraw/zinc/29/62/84/569296284.db2.gz BVYHQMLDDSKICC-UHFFFAOYSA-N -1 0 400.503 5.753 50 0 HKAARM CCc1cccc(C)c1N=C1N=C(SCC(=O)[O-])N(c2ccccc2)C12CCCC2 ZINC000252595341 569060708 /nfs/dbraw/zinc/06/07/08/569060708.db2.gz BZSDXRLHOLIORX-UHFFFAOYSA-N -1 0 421.566 5.594 50 0 HKAARM Cc1cccc(N=C2N=C(SCC(=O)[O-])N(c3ccccc3C)C23CCCCC3)c1 ZINC000252617750 569060830 /nfs/dbraw/zinc/06/08/30/569060830.db2.gz KZJITDSCRZTTGD-UHFFFAOYSA-N -1 0 421.566 5.730 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252623895 569308970 /nfs/dbraw/zinc/30/89/70/569308970.db2.gz PBSOPSDEYNTFAZ-RBWQBWNCSA-N -1 0 404.591 5.688 50 0 HKAARM Cc1ccccc1N1C(SCC(=O)[O-])=NC(=Nc2c(C)cccc2C)C12CCCC2 ZINC000252624103 569060854 /nfs/dbraw/zinc/06/08/54/569060854.db2.gz PGJNHLDUOZARED-UHFFFAOYSA-N -1 0 421.566 5.649 50 0 HKAARM Cc1ccc(N=C2N=C(SCC(=O)[O-])N(c3ccc(C)cc3)C23CCCCC3)cc1 ZINC000252624880 569060835 /nfs/dbraw/zinc/06/08/35/569060835.db2.gz PXGREXAEDYSFNS-UHFFFAOYSA-N -1 0 421.566 5.730 50 0 HKAARM Cc1cccc(C)c1N=C1N=C(SCC(=O)[O-])N(c2ccccc2O)C12CCCC2 ZINC000252632445 569060914 /nfs/dbraw/zinc/06/09/14/569060914.db2.gz VTPAIUXXMCLYCJ-UHFFFAOYSA-N -1 0 423.538 5.046 50 0 HKAARM COc1ccc(N2C(SCC(=O)[O-])=NC(=Nc3ccccc3C)C23CCCC3)cc1 ZINC000252644129 569061127 /nfs/dbraw/zinc/06/11/27/569061127.db2.gz ZZRPAVAZKYVCNJ-UHFFFAOYSA-N -1 0 423.538 5.040 50 0 HKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@H]3CC[C@@]21C ZINC000252695359 569320391 /nfs/dbraw/zinc/32/03/91/569320391.db2.gz YSWDCQJTPYALJE-JWPPJQCESA-N -1 0 404.635 6.742 50 0 biogenic HKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@H]3CC[C@@]21C ZINC000252695360 569320343 /nfs/dbraw/zinc/32/03/43/569320343.db2.gz YSWDCQJTPYALJE-YBEUDHATSA-N -1 0 404.635 6.742 50 0 biogenic HKAARM O=C1C[C@@H](c2ccsc2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253408873 569388894 /nfs/dbraw/zinc/38/88/94/569388894.db2.gz LDYBRQNJZFAEMO-AWEZNQCLSA-N -1 0 424.861 5.322 50 0 HKAARM O=C1C[C@H](c2ccsc2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253408878 569388921 /nfs/dbraw/zinc/38/89/21/569388921.db2.gz LDYBRQNJZFAEMO-CQSZACIVSA-N -1 0 424.861 5.322 50 0 HKAARM Cc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)o1 ZINC000253412757 569366759 /nfs/dbraw/zinc/36/67/59/569366759.db2.gz RXTPBERNZNYWSC-AWEZNQCLSA-N -1 0 422.820 5.161 50 0 biogenic HKAARM Cc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)o1 ZINC000253412758 569366684 /nfs/dbraw/zinc/36/66/84/569366684.db2.gz RXTPBERNZNYWSC-CQSZACIVSA-N -1 0 422.820 5.161 50 0 biogenic HKAARM CCOC(=O)c1sc([N-]c2nccc(-c3ccc(-c4ccccc4)cc3)n2)nc1C ZINC000253495347 569381879 /nfs/dbraw/zinc/38/18/79/569381879.db2.gz ADRYKYUJXLJGFO-UHFFFAOYSA-N -1 0 416.506 5.496 50 0 HKAARM Brc1ccc(-c2ccnc([N-]c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000253495446 569381940 /nfs/dbraw/zinc/38/19/40/569381940.db2.gz FACAIWKWLBUKBW-UHFFFAOYSA-N -1 0 409.312 5.773 50 0 HKAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@]4(C)CC[C@H]32)C1 ZINC000253502135 569373771 /nfs/dbraw/zinc/37/37/71/569373771.db2.gz JBALICPRCDQXRA-CZFPMVKYSA-N -1 0 416.602 5.998 50 0 HKAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCC(=O)[O-])[C@]4(C)CC[C@H]32)C1 ZINC000253502136 569373879 /nfs/dbraw/zinc/37/38/79/569373879.db2.gz JBALICPRCDQXRA-GRPPHGKHSA-N -1 0 416.602 5.998 50 0 HKAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000253502137 569373883 /nfs/dbraw/zinc/37/38/83/569373883.db2.gz JBALICPRCDQXRA-LLYVYRDVSA-N -1 0 416.602 5.998 50 0 HKAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000253502139 569373855 /nfs/dbraw/zinc/37/38/55/569373855.db2.gz JBALICPRCDQXRA-MDYCYZJLSA-N -1 0 416.602 5.998 50 0 HKAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@@H](C)CCC(=O)[O-])[C@H]3CC[C@H]2C1 ZINC000253531514 519758231 /nfs/dbraw/zinc/75/82/31/519758231.db2.gz FCQRLHQHKFKTQE-LZRROOKOSA-N -1 0 418.618 6.078 50 0 HKAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCC(=O)[O-])[C@H]3CC[C@H]2C1 ZINC000253531515 519758156 /nfs/dbraw/zinc/75/81/56/519758156.db2.gz FCQRLHQHKFKTQE-NMDYPDLGSA-N -1 0 418.618 6.078 50 0 HKAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCC(=O)[O-])[C@H]3CC[C@H]2C1 ZINC000253531516 569382610 /nfs/dbraw/zinc/38/26/10/569382610.db2.gz FCQRLHQHKFKTQE-SZZIPMOBSA-N -1 0 418.618 6.078 50 0 HKAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H](C)CCC(=O)[O-])[C@H]3CC[C@H]2C1 ZINC000253531517 569382688 /nfs/dbraw/zinc/38/26/88/569382688.db2.gz FCQRLHQHKFKTQE-VRJPSUKBSA-N -1 0 418.618 6.078 50 0 HKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531565 569382705 /nfs/dbraw/zinc/38/27/05/569382705.db2.gz PBSOPSDEYNTFAZ-FEOCOELRSA-N -1 0 404.591 5.688 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531566 569382735 /nfs/dbraw/zinc/38/27/35/569382735.db2.gz PBSOPSDEYNTFAZ-KEDHGVEWSA-N -1 0 404.591 5.688 50 0 HKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531567 569382658 /nfs/dbraw/zinc/38/26/58/569382658.db2.gz PBSOPSDEYNTFAZ-KPXNCWNRSA-N -1 0 404.591 5.688 50 0 HKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@H]3CC[C@@]21C ZINC000253648976 569374513 /nfs/dbraw/zinc/37/45/13/569374513.db2.gz YSWDCQJTPYALJE-GRNKPEKISA-N -1 0 404.635 6.742 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000254740961 569374934 /nfs/dbraw/zinc/37/49/34/569374934.db2.gz PBSOPSDEYNTFAZ-RKQCAQRLSA-N -1 0 404.591 5.688 50 0 HKAARM CO[C@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCC(=O)[O-])[C@H]3CC[C@H]2C1 ZINC000254874629 569375068 /nfs/dbraw/zinc/37/50/68/569375068.db2.gz JUPFWUQPXGJVAK-RSWQNFHXSA-N -1 0 404.591 5.340 50 0 HKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257348642 569378684 /nfs/dbraw/zinc/37/86/84/569378684.db2.gz HPFCPAKTUUKKCP-IRYBFBHUSA-N -1 0 416.690 7.809 50 0 HKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348643 569378653 /nfs/dbraw/zinc/37/86/53/569378653.db2.gz HPFCPAKTUUKKCP-JPCQSUADSA-N -1 0 416.690 7.809 50 0 HKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257348644 569378658 /nfs/dbraw/zinc/37/86/58/569378658.db2.gz HPFCPAKTUUKKCP-KFUBSYSESA-N -1 0 416.690 7.809 50 0 HKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348645 569378665 /nfs/dbraw/zinc/37/86/65/569378665.db2.gz HPFCPAKTUUKKCP-YNBSVXQHSA-N -1 0 416.690 7.809 50 0 HKAARM CO[C@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@@]4(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000257348898 569378656 /nfs/dbraw/zinc/37/86/56/569378656.db2.gz JUPFWUQPXGJVAK-DBQYHUHCSA-N -1 0 404.591 5.340 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257357620 569379225 /nfs/dbraw/zinc/37/92/25/569379225.db2.gz PBSOPSDEYNTFAZ-BKLINZSGSA-N -1 0 404.591 5.688 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257357621 569379199 /nfs/dbraw/zinc/37/91/99/569379199.db2.gz PBSOPSDEYNTFAZ-DXPMPJQYSA-N -1 0 404.591 5.688 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257357622 569379197 /nfs/dbraw/zinc/37/91/97/569379197.db2.gz PBSOPSDEYNTFAZ-PAQMVLMSSA-N -1 0 404.591 5.688 50 0 HKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257357623 569379235 /nfs/dbraw/zinc/37/92/35/569379235.db2.gz PBSOPSDEYNTFAZ-YACBLNFVSA-N -1 0 404.591 5.688 50 0 HKAARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257358500 569379208 /nfs/dbraw/zinc/37/92/08/569379208.db2.gz UVTGFMKBPVLATL-MTOTXGHYSA-N -1 0 418.574 5.011 50 0 HKAARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257358501 569379166 /nfs/dbraw/zinc/37/91/66/569379166.db2.gz UVTGFMKBPVLATL-RQQMGDSSSA-N -1 0 418.574 5.011 50 0 HKAARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257358502 569379231 /nfs/dbraw/zinc/37/92/31/569379231.db2.gz UVTGFMKBPVLATL-XIZGEIEYSA-N -1 0 418.574 5.011 50 0 HKAARM CSc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1 ZINC000263584990 568878474 /nfs/dbraw/zinc/87/84/74/568878474.db2.gz CUFKRKLTSXGFNB-GOSISDBHSA-N -1 0 424.905 5.440 50 0 biogenic HKAARM CSc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1 ZINC000263584991 568878526 /nfs/dbraw/zinc/87/85/26/568878526.db2.gz CUFKRKLTSXGFNB-SFHVURJKSA-N -1 0 424.905 5.440 50 0 biogenic HKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@]21C ZINC000263612958 569380927 /nfs/dbraw/zinc/38/09/27/569380927.db2.gz YSWDCQJTPYALJE-BJWOPKJYSA-N -1 0 404.635 6.742 50 0 HKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@H]3CC[C@]21C ZINC000263612959 569380960 /nfs/dbraw/zinc/38/09/60/569380960.db2.gz YSWDCQJTPYALJE-RTBOGHNYSA-N -1 0 404.635 6.742 50 0 HKAARM Cc1ccsc1[C@@H]1Cc2c(C(=O)[O-])c(=O)cc(C)n2-c2ccc(Cl)cc2S1 ZINC000299784665 569382307 /nfs/dbraw/zinc/38/23/07/569382307.db2.gz PCTQYTPBDSNAFP-KRWDZBQOSA-N -1 0 417.939 5.257 50 0 HKAARM Cc1ccsc1[C@H]1Cc2c(C(=O)[O-])c(=O)cc(C)n2-c2ccc(Cl)cc2S1 ZINC000299784684 569382297 /nfs/dbraw/zinc/38/22/97/569382297.db2.gz PCTQYTPBDSNAFP-QGZVFWFLSA-N -1 0 417.939 5.257 50 0 HKAARM CN(Cc1ccoc1)Cc1cc(-c2csc3ccccc32)ccc1OCC(=O)[O-] ZINC000299786589 569382347 /nfs/dbraw/zinc/38/23/47/569382347.db2.gz WCKVVDCZKMFABO-UHFFFAOYSA-N -1 0 407.491 5.257 50 0 HKAARM COc1ccc(CN(C(=S)c2cnc(Cl)s2)c2c(C)cccc2[S-])cc1 ZINC000299803926 569382345 /nfs/dbraw/zinc/38/23/45/569382345.db2.gz LLULQCNCKAYIDI-UHFFFAOYSA-N -1 0 421.012 5.785 50 0 HKAARM Cc1cccc(CN(CCC(=O)[O-])C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000309574854 560770453 /nfs/dbraw/zinc/77/04/53/560770453.db2.gz ILFHTKDFMFVSHT-UHFFFAOYSA-N -1 0 415.489 5.221 50 0 HKAARM C[C@@H](C(=O)[O-])N(Cc1cccc(F)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309577646 560770596 /nfs/dbraw/zinc/77/05/96/560770596.db2.gz OWOCAGIMMXNNNP-INIZCTEOSA-N -1 0 419.452 5.050 50 0 HKAARM C[C@H](C(=O)[O-])N(Cc1cccc(F)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309577648 560770558 /nfs/dbraw/zinc/77/05/58/560770558.db2.gz OWOCAGIMMXNNNP-MRXNPFEDSA-N -1 0 419.452 5.050 50 0 HKAARM Cc1ccc(-c2csc(=Nc3ccc(C(=O)[O-])cc3)n2Cc2ccccc2)cc1 ZINC000334156928 569017513 /nfs/dbraw/zinc/01/75/13/569017513.db2.gz LTPUBPMAYKSQKY-UHFFFAOYSA-N -1 0 400.503 5.504 50 0 HKAARM O=C([O-])[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccccc1 ZINC000381946241 568416963 /nfs/dbraw/zinc/41/69/63/568416963.db2.gz ZCRFRBRGTNYAKX-UPVQGACJSA-N -1 0 413.473 5.083 50 0 HKAARM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000399830111 568724262 /nfs/dbraw/zinc/72/42/62/568724262.db2.gz IWDQSRGBOLDOST-UHFFFAOYSA-N -1 0 421.880 5.176 50 0 HKAARM O=C([O-])CC1(CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 ZINC000521396593 557613783 /nfs/dbraw/zinc/61/37/83/557613783.db2.gz JHFQQLQWCHHMJN-UHFFFAOYSA-N -1 0 407.510 5.340 50 0 HKAARM O=C([O-])c1ccc([C@@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC000521396595 557613748 /nfs/dbraw/zinc/61/37/48/557613748.db2.gz KHFBIDNBROXYNZ-FQEVSTJZSA-N -1 0 419.502 5.532 50 0 HKAARM O=C([O-])c1ccc([C@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC000521396596 557613751 /nfs/dbraw/zinc/61/37/51/557613751.db2.gz KHFBIDNBROXYNZ-HXUWFJFHSA-N -1 0 419.502 5.532 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4C=C(C)CC[C@H]4C(=O)[O-])cc3)sc2c1 ZINC000521398265 558854800 /nfs/dbraw/zinc/85/48/00/558854800.db2.gz RCIFBFXCXNXEGK-MSOLQXFVSA-N -1 0 406.507 5.267 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4C=C(C)CC[C@H]4C(=O)[O-])cc3)sc2c1 ZINC000521398266 558854853 /nfs/dbraw/zinc/85/48/53/558854853.db2.gz RCIFBFXCXNXEGK-QZTJIDSGSA-N -1 0 406.507 5.267 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4C=C(C)CC[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000521398267 558854824 /nfs/dbraw/zinc/85/48/24/558854824.db2.gz RCIFBFXCXNXEGK-ROUUACIJSA-N -1 0 406.507 5.267 50 0 HKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4C=C(C)CC[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000521398268 558854872 /nfs/dbraw/zinc/85/48/72/558854872.db2.gz RCIFBFXCXNXEGK-ZWKOTPCHSA-N -1 0 406.507 5.267 50 0 HKAARM O=C([O-])Cc1c(-c2ccccc2)oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000524731081 559178423 /nfs/dbraw/zinc/17/84/23/559178423.db2.gz JRLUNTAJVFGHAJ-UHFFFAOYSA-N -1 0 412.397 5.206 50 0 biogenic HKAARM O=C([O-])c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000585141364 569029898 /nfs/dbraw/zinc/02/98/98/569029898.db2.gz TXGPMGVEJDVPAE-HNNXBMFYSA-N -1 0 411.910 5.625 50 0 HKAARM O=C([O-])c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000585141374 569029876 /nfs/dbraw/zinc/02/98/76/569029876.db2.gz TXGPMGVEJDVPAE-OAHLLOKOSA-N -1 0 411.910 5.625 50 0 HKAARM Cc1cc2oc(-c3cc4c(cc3C)C(C)(C)[C@H](C)C4(C)C)c(CC(=O)[O-])c2c(=O)[nH]1 ZINC000604403972 558886297 /nfs/dbraw/zinc/88/62/97/558886297.db2.gz GSAOJVUWSSPFNJ-AWEZNQCLSA-N -1 0 407.510 5.649 50 0 biogenic HKAARM Cc1cc2oc(-c3cc4c(cc3C)C(C)(C)[C@@H](C)C4(C)C)c(CC(=O)[O-])c2c(=O)[nH]1 ZINC000604403973 558886265 /nfs/dbraw/zinc/88/62/65/558886265.db2.gz GSAOJVUWSSPFNJ-CQSZACIVSA-N -1 0 407.510 5.649 50 0 biogenic HKAARM Cc1cc2oc(-c3cc4c(cc3C)C(C)(C)[C@@H](C)CC4(C)C)c(CC(=O)[O-])c2c(=O)[nH]1 ZINC000604404437 558886203 /nfs/dbraw/zinc/88/62/03/558886203.db2.gz NKJHMELUFNGNED-AWEZNQCLSA-N -1 0 421.537 6.039 50 0 biogenic HKAARM Cc1cc2oc(-c3cc4c(cc3C)C(C)(C)[C@H](C)CC4(C)C)c(CC(=O)[O-])c2c(=O)[nH]1 ZINC000604404441 558886251 /nfs/dbraw/zinc/88/62/51/558886251.db2.gz NKJHMELUFNGNED-CQSZACIVSA-N -1 0 421.537 6.039 50 0 biogenic HKAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Cl ZINC000685939418 571314075 /nfs/dbraw/zinc/31/40/75/571314075.db2.gz ZDTWOCCGXMOXRB-FQEVSTJZSA-N -1 0 421.880 5.047 50 0 HKAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Cl ZINC000685939419 571314074 /nfs/dbraw/zinc/31/40/74/571314074.db2.gz ZDTWOCCGXMOXRB-HXUWFJFHSA-N -1 0 421.880 5.047 50 0 HKAARM Cc1cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])ccc1Cl ZINC000685939969 568722289 /nfs/dbraw/zinc/72/22/89/568722289.db2.gz NNONZASZHXWDRS-JOCHJYFZSA-N -1 0 421.880 5.313 50 0 HKAARM Cc1cc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])ccc1Cl ZINC000685939970 568722142 /nfs/dbraw/zinc/72/21/42/568722142.db2.gz NNONZASZHXWDRS-QFIPXVFZSA-N -1 0 421.880 5.313 50 0 HKAARM CC1CCC([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)[O-])CC1 ZINC000685945056 568722704 /nfs/dbraw/zinc/72/27/04/568722704.db2.gz RFXOHMFUAMVCOF-ACBHZAAOSA-N -1 0 421.537 5.442 50 0 HKAARM CC1CCC([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)[O-])CC1 ZINC000685945057 568722852 /nfs/dbraw/zinc/72/28/52/568722852.db2.gz RFXOHMFUAMVCOF-CTWPCTMYSA-N -1 0 421.537 5.442 50 0 HKAARM O=C([O-])CCN(Cc1cccc(F)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240897 559067888 /nfs/dbraw/zinc/06/78/88/559067888.db2.gz KMYXMBRLAWVMQF-UHFFFAOYSA-N -1 0 419.452 5.052 50 0 HKAARM O=C([O-])CN(Cc1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725241040 559068015 /nfs/dbraw/zinc/06/80/15/559068015.db2.gz SSBWYSYJTDIBOG-UHFFFAOYSA-N -1 0 421.880 5.176 50 0 HKAARM O=C([O-])CCCN(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725241139 559068232 /nfs/dbraw/zinc/06/82/32/559068232.db2.gz ZBTAPOQACGOJSL-UHFFFAOYSA-N -1 0 415.489 5.303 50 0 HKAARM