smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(C)n1 ZINC000006088954 193878563 /nfs/dbraw/zinc/87/85/63/193878563.db2.gz KHCWYLMULALUQE-UHFFFAOYSA-N -1 0 426.498 3.220 50 0 IGAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1N1CCOCC1 ZINC000002627540 132255463 /nfs/dbraw/zinc/25/54/63/132255463.db2.gz WSAOVHLGDPNTQY-UHFFFAOYSA-N -1 0 441.347 3.485 50 0 IGAARM C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(F)ccc2F)C[C@H](C)O1 ZINC000013100837 132344567 /nfs/dbraw/zinc/34/45/67/132344567.db2.gz AOQTXIBSHLRQAK-BETUJISGSA-N -1 0 434.468 3.322 50 0 IGAARM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000012740369 520696057 /nfs/dbraw/zinc/69/60/57/520696057.db2.gz DSZPEJNKCYVWQZ-UHFFFAOYSA-N -1 0 433.555 3.422 50 0 IGAARM CCCCOc1ccc(C(=O)N/C(=C\c2ccc(OC)cc2)C(=O)NCCC(=O)[O-])cc1 ZINC000033895473 520862956 /nfs/dbraw/zinc/86/29/56/520862956.db2.gz PLQPVHDAKQRIDG-PGMHBOJBSA-N -1 0 440.496 3.236 50 0 IGAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)N[C@H](C)CC)cc1 ZINC000012822942 521207302 /nfs/dbraw/zinc/20/73/02/521207302.db2.gz AUDRIKALPGDSAG-CQSZACIVSA-N -1 0 436.530 3.432 50 0 IGAARM CCSc1nc([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1 ZINC000012466982 521782745 /nfs/dbraw/zinc/78/27/45/521782745.db2.gz ZOWYOHIZAYDODE-QGZVFWFLSA-N -1 0 440.477 3.327 50 0 IGAARM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000012548522 521851212 /nfs/dbraw/zinc/85/12/12/521851212.db2.gz MQKYTXVTVMUPGX-UHFFFAOYSA-N -1 0 448.136 3.372 50 0 IGAARM CCc1nc2sc([C@H](c3ccc(Br)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000012341966 522536492 /nfs/dbraw/zinc/53/64/92/522536492.db2.gz YEMKIJGQJIJONT-HNNXBMFYSA-N -1 0 437.363 3.367 50 0 IGAARM CCc1nnc(COC(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)o1 ZINC000022409992 522750382 /nfs/dbraw/zinc/75/03/82/522750382.db2.gz PLNSSYHPTZGOPN-UHFFFAOYSA-N -1 0 431.470 3.107 50 0 IGAARM CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000033404759 523198435 /nfs/dbraw/zinc/19/84/35/523198435.db2.gz HHXIHBJMNLWETM-UHFFFAOYSA-N -1 0 442.497 3.315 50 0 IGAARM Cc1cccc(C(=O)N2CCC(O)CC2)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000058190560 524170049 /nfs/dbraw/zinc/17/00/49/524170049.db2.gz OERNHVQTBATFDB-UHFFFAOYSA-N -1 0 442.459 3.412 50 0 IGAARM COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(=O)[n-]1 ZINC000012348194 524229521 /nfs/dbraw/zinc/22/95/21/524229521.db2.gz ZHTNVSOFBUVFIF-UHFFFAOYSA-N -1 0 430.917 3.457 50 0 IGAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c(OC)c1 ZINC000021154383 524683314 /nfs/dbraw/zinc/68/33/14/524683314.db2.gz RCHBGQWKIYJDPF-UHFFFAOYSA-N -1 0 449.573 3.476 50 0 IGAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3O)ccc2OC)cc1 ZINC000012799734 524690547 /nfs/dbraw/zinc/69/05/47/524690547.db2.gz QADIDCBOOSKRSY-UHFFFAOYSA-N -1 0 428.466 3.463 50 0 IGAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccccc2Cl)C1 ZINC000023115095 525228146 /nfs/dbraw/zinc/22/81/46/525228146.db2.gz HNMQRTLICZYYEF-SFHVURJKSA-N -1 0 449.916 3.254 50 0 IGAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000024231665 526171218 /nfs/dbraw/zinc/17/12/18/526171218.db2.gz HUNWFUVKXHOEPS-UHFFFAOYSA-N -1 0 431.539 3.129 50 0 IGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2)n1 ZINC000000683130 555538655 /nfs/dbraw/zinc/53/86/55/555538655.db2.gz MFLULDOMSOCTLS-UHFFFAOYSA-N -1 0 432.527 3.003 50 0 IGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 ZINC000000844682 555568964 /nfs/dbraw/zinc/56/89/64/555568964.db2.gz LAIWNADNVOFEBZ-OUKQBFOZSA-N -1 0 444.538 3.307 50 0 IGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)n1 ZINC000002471997 555783162 /nfs/dbraw/zinc/78/31/62/555783162.db2.gz HVBNGUUVGMRPBM-UHFFFAOYSA-N -1 0 441.538 3.021 50 0 IGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3nn(CC)cc3Cl)cc2)s1 ZINC000002765843 555814055 /nfs/dbraw/zinc/81/40/55/555814055.db2.gz DUYWLYDWYZXABO-UHFFFAOYSA-N -1 0 440.938 3.023 50 0 IGAARM CCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002859087 555843249 /nfs/dbraw/zinc/84/32/49/555843249.db2.gz CIJQOUXCUHXOEM-UHFFFAOYSA-N -1 0 429.527 3.485 50 0 IGAARM COc1ccc(C(=O)Nc2c(N)nc(SCc3cccc(C)c3)[n-]c2=O)cc1OC ZINC000002712641 556122313 /nfs/dbraw/zinc/12/23/13/556122313.db2.gz URUZRAPZLYQYJG-UHFFFAOYSA-N -1 0 426.498 3.222 50 0 IGAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C)c(C)s3)cc2)nc(OC)n1 ZINC000002731370 556134501 /nfs/dbraw/zinc/13/45/01/556134501.db2.gz YDWFAHFIQCIMNH-UHFFFAOYSA-N -1 0 448.526 3.225 50 0 IGAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1cccc(F)c1 ZINC000002787008 556138855 /nfs/dbraw/zinc/13/88/55/556138855.db2.gz SVLNVZSARGZAOQ-CVEARBPZSA-N -1 0 436.230 3.064 50 0 IGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1 ZINC000008636714 556194706 /nfs/dbraw/zinc/19/47/06/556194706.db2.gz DUPLDEZUFPLKPT-UHFFFAOYSA-N -1 0 436.536 3.340 50 0 IGAARM O=C([O-])CCCC[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@H]1NC(=O)c1ccccc1 ZINC000008817056 556218079 /nfs/dbraw/zinc/21/80/79/556218079.db2.gz DOBCSAZFJKTPFM-SFHLNBCPSA-N -1 0 426.538 3.344 50 0 IGAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000008983914 556238350 /nfs/dbraw/zinc/23/83/50/556238350.db2.gz MPMYFIHGGBRZGL-UHFFFAOYSA-N -1 0 440.587 3.452 50 0 IGAARM O=C([O-])COc1ccc(Br)cc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O ZINC000009262791 556269788 /nfs/dbraw/zinc/26/97/88/556269788.db2.gz XIBQULLGRCWDEZ-OVCLIPMQSA-N -1 0 449.232 3.145 50 0 IGAARM CC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)cc1 ZINC000013899358 556330828 /nfs/dbraw/zinc/33/08/28/556330828.db2.gz GHRHYOPMZGCVAV-UHFFFAOYSA-N -1 0 429.384 3.342 50 0 IGAARM Cc1c(Cl)cccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1 ZINC000010433695 556334033 /nfs/dbraw/zinc/33/40/33/556334033.db2.gz WVVYAOWBZFVURP-UHFFFAOYSA-N -1 0 449.941 3.295 50 0 IGAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)c(Br)s1 ZINC000032585719 556405145 /nfs/dbraw/zinc/40/51/45/556405145.db2.gz BXXLSCOIESDDFW-UHFFFAOYSA-N -1 0 433.305 3.056 50 0 IGAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)Nc1ccc2c(c1)CCC2 ZINC000032836360 556418257 /nfs/dbraw/zinc/41/82/57/556418257.db2.gz IQHMYYTXLIVIMB-UHFFFAOYSA-N -1 0 436.493 3.235 50 0 IGAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC000013181127 556498698 /nfs/dbraw/zinc/49/86/98/556498698.db2.gz ZOQAJBQACPGSRE-UWJYYQICSA-N -1 0 444.553 3.361 50 0 IGAARM Cc1c(C(=O)[O-])sc2[nH]c(CSc3nnc(Cc4ccccc4)n3C)nc(=O)c12 ZINC000013407934 556504947 /nfs/dbraw/zinc/50/49/47/556504947.db2.gz RJZLSRMBTOPMKJ-UHFFFAOYSA-N -1 0 427.511 3.003 50 0 IGAARM Cc1nnc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1-c1ccccc1C ZINC000013410232 556505173 /nfs/dbraw/zinc/50/51/73/556505173.db2.gz XIFICTSMGLNJSM-IBGZPJMESA-N -1 0 449.536 3.270 50 0 IGAARM CC[C@@H](C)NC(=O)c1ccc(Cn2c(=O)c3ccc(C(=O)OC)cc3[n-]c2=S)cc1 ZINC000032959333 556546276 /nfs/dbraw/zinc/54/62/76/556546276.db2.gz JGWFVHOUTSAQPO-CYBMUJFWSA-N -1 0 425.510 3.048 50 0 IGAARM O=C1N[C@H](c2cccc(Cl)c2Cl)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000015906324 556562796 /nfs/dbraw/zinc/56/27/96/556562796.db2.gz DCLCYDQQKLNUDF-KFNAQCHYSA-N -1 0 434.201 3.492 50 0 IGAARM COCCCNC(=S)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000016216655 556591944 /nfs/dbraw/zinc/59/19/44/556591944.db2.gz IFNQGBOVJPNNKG-UHFFFAOYSA-N -1 0 443.978 3.472 50 0 IGAARM CCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(CCC)c1=O ZINC000100672111 556642249 /nfs/dbraw/zinc/64/22/49/556642249.db2.gz STWMZVMHBGUONW-UHFFFAOYSA-N -1 0 432.480 3.163 50 0 IGAARM CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100674963 556642872 /nfs/dbraw/zinc/64/28/72/556642872.db2.gz ITKVUOOPNHTTRQ-UHFFFAOYSA-N -1 0 446.507 3.461 50 0 IGAARM COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)n[nH]1 ZINC000079015918 556736842 /nfs/dbraw/zinc/73/68/42/556736842.db2.gz NIBSPSXGPHTFNI-CYBMUJFWSA-N -1 0 426.498 3.184 50 0 IGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)cc1Cl ZINC000097940937 556810988 /nfs/dbraw/zinc/81/09/88/556810988.db2.gz ZJKQMNSANNYLAZ-UHFFFAOYSA-N -1 0 438.893 3.143 50 0 IGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N3CCCC3)oc2C)cc1 ZINC000097940848 556811493 /nfs/dbraw/zinc/81/14/93/556811493.db2.gz KTIUXJWBHFUTIH-UHFFFAOYSA-N -1 0 430.486 3.024 50 0 IGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000019644970 556839633 /nfs/dbraw/zinc/83/96/33/556839633.db2.gz INOGNAOBZREAQB-GNNGFNCTSA-N -1 0 446.569 3.175 50 0 IGAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000019852600 556930889 /nfs/dbraw/zinc/93/08/89/556930889.db2.gz OZYVPZGOGWUWKC-UHFFFAOYSA-N -1 0 444.523 3.276 50 0 IGAARM O=C(c1cc(-c2cccs2)n[nH]1)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097111706 556990297 /nfs/dbraw/zinc/99/02/97/556990297.db2.gz JKHZTOAKJNQPFW-UHFFFAOYSA-N -1 0 442.504 3.340 50 0 IGAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020292114 557006013 /nfs/dbraw/zinc/00/60/13/557006013.db2.gz XROCWJLCXFIGQD-VHEBQXMUSA-N -1 0 443.887 3.394 50 0 IGAARM CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)cc2)c(=O)[n-]1 ZINC000020355851 557009983 /nfs/dbraw/zinc/00/99/83/557009983.db2.gz AHBTZPDRPKJHFW-UHFFFAOYSA-N -1 0 443.550 3.204 50 0 IGAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)n1 ZINC000023126689 557011310 /nfs/dbraw/zinc/01/13/10/557011310.db2.gz XFNLXMUMQSKUNG-UXHICEINSA-N -1 0 428.452 3.027 50 0 IGAARM COc1ccccc1N1CCN(C(=O)Cc2csc([N-]c3nc(C)cc(C)n3)n2)CC1 ZINC000049029455 557089014 /nfs/dbraw/zinc/08/90/14/557089014.db2.gz PTPPLEBGZZLOKM-UHFFFAOYSA-N -1 0 438.557 3.193 50 0 IGAARM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc(N2CCOCC2)n1 ZINC000033326865 557108773 /nfs/dbraw/zinc/10/87/73/557108773.db2.gz JEXSPNFRSSZMMH-UHFFFAOYSA-N -1 0 431.543 3.228 50 0 IGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)c(O)c(OC)c2)CC(=O)N3)c1 ZINC000049543104 557110524 /nfs/dbraw/zinc/11/05/24/557110524.db2.gz TUCWRZZQZXPKEX-HNNXBMFYSA-N -1 0 438.436 3.381 50 0 IGAARM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C)cn1 ZINC000072292872 557159570 /nfs/dbraw/zinc/15/95/70/557159570.db2.gz RHWFHRQHTGJANW-UHFFFAOYSA-N -1 0 434.905 3.037 50 0 IGAARM O=C(N[C@@H]1CCN(c2nccs2)C1)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000206811239 557162329 /nfs/dbraw/zinc/16/23/29/557162329.db2.gz HPPWQMZKXPHOID-MRXNPFEDSA-N -1 0 446.529 3.092 50 0 IGAARM COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3c(Cl)cccc3Cl)C2=C1[O-] ZINC000100948667 557206209 /nfs/dbraw/zinc/20/62/09/557206209.db2.gz MDIWGCQVUSHLRL-QAPCUYQASA-N -1 0 432.263 3.325 50 0 IGAARM Cc1cc(=O)n2nc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[n-]c2n1 ZINC000101022570 557214378 /nfs/dbraw/zinc/21/43/78/557214378.db2.gz XUJDWHNUSUYVFU-UHFFFAOYSA-N -1 0 433.038 3.140 50 0 IGAARM COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000018190273 557246356 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556884972 /nfs/dbraw/zinc/88/49/72/556884972.db2.gz MYHWVEPDBMZDEG-SNVBAGLBSA-N -1 0 447.245 3.207 50 0 IGAARM COc1ccccc1CN1CCN(c2cc(C(=O)[O-])c3cc(NC(C)=O)ccc3n2)CC1 ZINC000033260794 556897669 /nfs/dbraw/zinc/89/76/69/556897669.db2.gz DYCOATOMHNWDTF-UHFFFAOYSA-N -1 0 434.496 3.222 50 0 IGAARM O=C([O-])c1ccc(-n2nnnc2SCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000019853358 556931116 /nfs/dbraw/zinc/93/11/16/556931116.db2.gz MAGQDEHEZRDXJC-UHFFFAOYSA-N -1 0 448.302 3.244 50 0 IGAARM O=C(c1n[nH]c2c1CCCC2)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097096758 556984394 /nfs/dbraw/zinc/98/43/94/556984394.db2.gz GMVBINDMQKRKDL-UHFFFAOYSA-N -1 0 448.914 3.143 50 0 IGAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000022957648 557054761 /nfs/dbraw/zinc/05/47/61/557054761.db2.gz QEDMSYJGCYSWLY-UHFFFAOYSA-N -1 0 435.376 3.190 50 0 IGAARM CCC[C@H](Br)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000048544997 557077316 /nfs/dbraw/zinc/07/73/16/557077316.db2.gz QCBSCXAXDQTIOL-JKSUJKDBSA-N -1 0 443.338 3.216 50 0 IGAARM O=C(N[C@H]1CCN(c2ccccn2)C1)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000206826639 557163042 /nfs/dbraw/zinc/16/30/42/557163042.db2.gz XWEMRKHMMOXSHR-SFHVURJKSA-N -1 0 440.500 3.030 50 0 IGAARM Cc1ccccc1C(=O)NC(=S)Nc1ccc(I)cc1C(=O)[O-] ZINC000009763742 557191812 /nfs/dbraw/zinc/19/18/12/557191812.db2.gz FHJWJSZFTIYKRK-UHFFFAOYSA-N -1 0 440.262 3.425 50 0 IGAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)c(Cl)c4)c=3c2=O)c1 ZINC000101083540 557231015 /nfs/dbraw/zinc/23/10/15/557231015.db2.gz SVOLDALWQGNDLW-MSOLQXFVSA-N -1 0 429.839 3.028 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(Cl)c1 ZINC000101165909 557257779 /nfs/dbraw/zinc/25/77/79/557257779.db2.gz WWXIEFHZVWABNB-IAGOWNOFSA-N -1 0 432.267 3.234 50 0 IGAARM COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101130534 557261329 /nfs/dbraw/zinc/26/13/29/557261329.db2.gz SCHNXELDNRZMGQ-RDJZCZTQSA-N -1 0 432.263 3.209 50 0 IGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000101260837 557265329 /nfs/dbraw/zinc/26/53/29/557265329.db2.gz PGLSGQMDJCCVTH-IAGOWNOFSA-N -1 0 445.273 3.273 50 0 IGAARM COc1cccc(C([O-])=CC(=O)C(=O)Nc2ccc(I)cc2C)c1 ZINC000101354982 557275408 /nfs/dbraw/zinc/27/54/08/557275408.db2.gz JQBFEJLOCLRRLG-UHFFFAOYSA-N -1 0 437.233 3.389 50 0 IGAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000101387308 557282192 /nfs/dbraw/zinc/28/21/92/557282192.db2.gz BKJGXIVWBRZJSF-DLBZAZTESA-N -1 0 432.267 3.234 50 0 IGAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1ccc(Cl)cc1 ZINC000101765009 557295479 /nfs/dbraw/zinc/29/54/79/557295479.db2.gz ZELOALCINAIKHX-QGZVFWFLSA-N -1 0 444.919 3.489 50 0 IGAARM NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000013141544 557299526 /nfs/dbraw/zinc/29/95/26/557299526.db2.gz UQDQFYVSKBKXBY-UHFFFAOYSA-N -1 0 434.109 3.111 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4cccc(Cl)c4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101893009 557306198 /nfs/dbraw/zinc/30/61/98/557306198.db2.gz LBJJAPGSTHUVAU-OALUTQOASA-N -1 0 448.870 3.372 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4cccc(Cl)c4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101893012 557306235 /nfs/dbraw/zinc/30/62/35/557306235.db2.gz LBJJAPGSTHUVAU-RTBURBONSA-N -1 0 448.870 3.372 50 0 IGAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000032913159 557317418 /nfs/dbraw/zinc/31/74/18/557317418.db2.gz CWWPKNWAKPHJQZ-UHFFFAOYSA-N -1 0 436.287 3.222 50 0 IGAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000102760633 557385154 /nfs/dbraw/zinc/38/51/54/557385154.db2.gz IJYVDSXEAORJEH-FDFHNCONSA-N -1 0 444.443 3.445 50 0 IGAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n([C@H](C)c2ccccc2)c1[O-] ZINC000102817722 557393385 /nfs/dbraw/zinc/39/33/85/557393385.db2.gz OAWQTLWJWDGFMD-QRQCRPRQSA-N -1 0 430.508 3.300 50 0 IGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1 ZINC000101261975 557456005 /nfs/dbraw/zinc/45/60/05/557456005.db2.gz YKFMMEAKBXRHDX-ZWKOTPCHSA-N -1 0 436.859 3.446 50 0 IGAARM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000028250170 557698140 /nfs/dbraw/zinc/69/81/40/557698140.db2.gz MXRYPSKOWRQSBA-UHFFFAOYSA-N -1 0 439.740 3.275 50 0 IGAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCCC(=O)[O-])[C@H](c2ccccc2F)C1 ZINC000225516910 557734021 /nfs/dbraw/zinc/73/40/21/557734021.db2.gz KVXUZHUGJVAQSR-IBGZPJMESA-N -1 0 447.488 3.130 50 0 IGAARM CCOC(=O)c1oc2ccc(S(=O)(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2c1C ZINC000225583994 557747155 /nfs/dbraw/zinc/74/71/55/557747155.db2.gz ABKPQPNDYIYLDC-INIZCTEOSA-N -1 0 429.450 3.295 50 0 IGAARM O=C(N[C@@H](CCO)Cc1ccccc1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000239882344 557845176 /nfs/dbraw/zinc/84/51/76/557845176.db2.gz DBFXRAFINQOJEG-SFHVURJKSA-N -1 0 430.551 3.272 50 0 IGAARM Cc1cc(OCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000002125471 562925937 /nfs/dbraw/zinc/92/59/37/562925937.db2.gz YZEVRMVIDNBZOD-UHFFFAOYSA-N -1 0 435.476 3.434 50 0 IGAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1O ZINC000009348137 562969373 /nfs/dbraw/zinc/96/93/73/562969373.db2.gz IZJYTVNFFMWTAO-SXGWCWSVSA-N -1 0 430.413 3.295 50 0 IGAARM Cn1cnnc1Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003368654 568747770 /nfs/dbraw/zinc/74/77/70/568747770.db2.gz OFCNQDNDPCXOHP-UHFFFAOYSA-N -1 0 438.918 3.192 50 0 IGAARM COc1ccc([C@@H](CC(=O)NCc2ccco2)c2c([O-])cc(C)oc2=O)c(OC)c1OC ZINC000263585458 568759143 /nfs/dbraw/zinc/75/91/43/568759143.db2.gz IXCCWXSHVHVRPO-MRXNPFEDSA-N -1 0 443.452 3.111 50 0 IGAARM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000016147308 568872092 /nfs/dbraw/zinc/87/20/92/568872092.db2.gz LYQDHJDREDOIMH-UHFFFAOYSA-N -1 0 430.498 3.249 50 0 IGAARM CC(=O)N[C@H](CS[C@@H](CC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000001896389 568918061 /nfs/dbraw/zinc/91/80/61/568918061.db2.gz JOAAAEPWSLHEFF-UTKZUKDTSA-N -1 0 429.494 3.360 50 0 IGAARM COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000008878483 568927345 /nfs/dbraw/zinc/92/73/45/568927345.db2.gz JLVUNZNHEDANQB-FCHUYYIVSA-N -1 0 442.512 3.479 50 0 IGAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3OC)c(C(=O)[O-])c2)C1 ZINC000064589064 568934844 /nfs/dbraw/zinc/93/48/44/568934844.db2.gz KMIIXLPYDDQGBM-HNNXBMFYSA-N -1 0 426.469 3.425 50 0 IGAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000016690229 568938429 /nfs/dbraw/zinc/93/84/29/568938429.db2.gz XALQFOCTWZUYIA-QGZVFWFLSA-N -1 0 429.546 3.231 50 0 IGAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2F)CC1 ZINC000016690221 568938443 /nfs/dbraw/zinc/93/84/43/568938443.db2.gz RHIJTKOBLQDXPP-MRXNPFEDSA-N -1 0 433.509 3.061 50 0 IGAARM O=C([O-])[C@H](c1c[nH]c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc21)[NH+]1CCCCC1 ZINC000036352697 569083832 /nfs/dbraw/zinc/08/38/32/569083832.db2.gz GEFJTHNVEMKIAF-QINHECLXSA-N -1 0 425.485 3.385 50 0 IGAARM O=C(Nc1ccccc1)c1nnc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000064991674 569084752 /nfs/dbraw/zinc/08/47/52/569084752.db2.gz PVTXGDBWCCESOX-UHFFFAOYSA-N -1 0 442.444 3.288 50 0 IGAARM Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(F)ccc34)CC2)c(C)c1 ZINC000036359603 569086433 /nfs/dbraw/zinc/08/64/33/569086433.db2.gz SMXROLJEUYWCEX-QHCPKHFHSA-N -1 0 439.487 3.430 50 0 IGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1 ZINC000065097447 569103853 /nfs/dbraw/zinc/10/38/53/569103853.db2.gz KUMNMAHJIZPBAR-UHFFFAOYSA-N -1 0 448.526 3.234 50 0 IGAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)cc1F ZINC000065097442 569103858 /nfs/dbraw/zinc/10/38/58/569103858.db2.gz XTCUMCOPIOUAPS-UHFFFAOYSA-N -1 0 436.490 3.282 50 0 IGAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)c1 ZINC000065098900 569104318 /nfs/dbraw/zinc/10/43/18/569104318.db2.gz DLHBMKIPBLWXIY-UHFFFAOYSA-N -1 0 448.526 3.234 50 0 IGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098858 569104387 /nfs/dbraw/zinc/10/43/87/569104387.db2.gz RYSACNVLCJOURJ-UHFFFAOYSA-N -1 0 448.526 3.234 50 0 IGAARM O=C([N-]S(=O)(=O)c1cncc(Br)c1)c1ccc(COc2ccccc2)o1 ZINC000065621881 569140416 /nfs/dbraw/zinc/14/04/16/569140416.db2.gz UTELQYOAMFYNMJ-UHFFFAOYSA-N -1 0 437.271 3.135 50 0 IGAARM COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000170614190 569146252 /nfs/dbraw/zinc/14/62/52/569146252.db2.gz MZWADOSWWILDEC-SFHVURJKSA-N -1 0 442.468 3.264 50 0 IGAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000013579037 569156014 /nfs/dbraw/zinc/15/60/14/569156014.db2.gz AKEWJDXTPMMQQN-UHFFFAOYSA-N -1 0 438.358 3.304 50 0 IGAARM Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000013579020 569156043 /nfs/dbraw/zinc/15/60/43/569156043.db2.gz NGGUIMDMHDLHIW-VQTJNVASSA-N -1 0 436.464 3.396 50 0 IGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCc4ccccc43)cs2)cc1 ZINC000016848566 569164375 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ZINC000032104144 568781091 /nfs/dbraw/zinc/78/10/91/568781091.db2.gz TUEQVQRIQSATHK-QHCPKHFHSA-N -1 0 447.472 3.223 50 0 IGAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720806 568811880 /nfs/dbraw/zinc/81/18/80/568811880.db2.gz ODMGLPOWUMXKFH-UHFFFAOYSA-N -1 0 431.470 3.188 50 0 IGAARM O=C([O-])c1cc(NC(=O)CS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1O ZINC000006174543 568850905 /nfs/dbraw/zinc/85/09/05/568850905.db2.gz RMMBUZNWGAGDEX-UHFFFAOYSA-N -1 0 437.779 3.175 50 0 IGAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000334157121 568852433 /nfs/dbraw/zinc/85/24/33/568852433.db2.gz QVAVETSHIHFCBY-UHFFFAOYSA-O -1 0 442.524 3.377 50 0 IGAARM COc1ccc2[nH]c(C)c(CCNC(C)=C3C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)c2c1 ZINC000575443873 568869847 /nfs/dbraw/zinc/86/98/47/568869847.db2.gz PNENJLJHHSIMKL-JWGURIENSA-N -1 0 446.507 3.482 50 0 IGAARM CC(C)n1cc(NC(=O)c2nn(-c3ccccc3I)cc2[O-])cn1 ZINC000078995639 568887587 /nfs/dbraw/zinc/88/75/87/568887587.db2.gz 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CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000036353018 569083969 /nfs/dbraw/zinc/08/39/69/569083969.db2.gz SEGWQYASHUGXTI-IBGZPJMESA-N -1 0 444.532 3.441 50 0 IGAARM C[Si](C)(C)CCCC1C(=O)N=C(SCC(=O)c2ccc3c(c2)OCCO3)N=C1[O-] ZINC000169794801 569108984 /nfs/dbraw/zinc/10/89/84/569108984.db2.gz UATBBEGQJDDCJN-UHFFFAOYSA-N -1 0 434.590 3.493 50 0 IGAARM COc1ccc(CCNC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)cc1OC ZINC000065150392 569111062 /nfs/dbraw/zinc/11/10/62/569111062.db2.gz DZPUIEOMXHYDKR-LBPRGKRZSA-N -1 0 442.537 3.410 50 0 IGAARM CCOc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)cc1 ZINC000013576270 569155855 /nfs/dbraw/zinc/15/58/55/569155855.db2.gz RHPRBNUJGUFSIL-ZGKFYVQTSA-N -1 0 440.477 3.089 50 0 IGAARM Cn1ccnc1[C@@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1ccc(F)cc1 ZINC000014403581 569158999 /nfs/dbraw/zinc/15/89/99/569158999.db2.gz DVBYNUUQLOXONO-IBGZPJMESA-N -1 0 437.500 3.228 50 0 IGAARM CC(C)(C)OC(=O)NCc1nc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2)n[nH]1 ZINC000089662659 569160897 /nfs/dbraw/zinc/16/08/97/569160897.db2.gz PZQODOCEBIKAPU-UHFFFAOYSA-N -1 0 435.531 3.359 50 0 IGAARM CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)C(=O)[O-] ZINC000002115482 569182465 /nfs/dbraw/zinc/18/24/65/569182465.db2.gz KARWALLNPOBDDX-FATZIPQQSA-N -1 0 439.464 3.463 50 0 IGAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002117832 569182534 /nfs/dbraw/zinc/18/25/34/569182534.db2.gz VJWPMKCKJKJOFG-INIZCTEOSA-N -1 0 429.494 3.201 50 0 IGAARM CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12 ZINC000002139647 569185395 /nfs/dbraw/zinc/18/53/95/569185395.db2.gz SPWALZPBOHMQGX-FQEVSTJZSA-N -1 0 434.448 3.028 50 0 IGAARM COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000253400226 569264794 /nfs/dbraw/zinc/26/47/94/569264794.db2.gz DSQWDBHAFHLYDC-NRFANRHFSA-N -1 0 432.480 3.230 50 0 IGAARM Cc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)o1 ZINC000225426057 569299902 /nfs/dbraw/zinc/29/99/02/569299902.db2.gz MRFLHXDCJBJUFU-VCBZYWHSSA-N -1 0 437.525 3.077 50 0 IGAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2I)cc1 ZINC000013078454 569309380 /nfs/dbraw/zinc/30/93/80/569309380.db2.gz XMHOUBGCDISBGT-UHFFFAOYSA-N -1 0 431.251 3.109 50 0 IGAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])nc3scc(-c4ccccc4)n3c1=O)NCC2 ZINC000020113841 569334466 /nfs/dbraw/zinc/33/44/66/569334466.db2.gz QMJOIWAKHSBWAA-FQEVSTJZSA-N -1 0 435.505 3.381 50 0 IGAARM COc1ccc(-c2noc(CCCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])n2)cc1 ZINC000095424595 569365884 /nfs/dbraw/zinc/36/58/84/569365884.db2.gz QFKCJWNYTUYRJC-HXUWFJFHSA-N -1 0 448.479 3.361 50 0 IGAARM O=C([O-])[C@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)Cc1ccccc1F ZINC000095425381 569365988 /nfs/dbraw/zinc/36/59/88/569365988.db2.gz HPLOPSDTCBXGFB-KRWDZBQOSA-N -1 0 425.460 3.243 50 0 IGAARM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc2c1C(=O)N(C1CC1)C2=O ZINC000095466324 569370926 /nfs/dbraw/zinc/37/09/26/569370926.db2.gz UNHNCFBIWGBLEJ-UHFFFAOYSA-N -1 0 441.328 3.378 50 0 IGAARM O=C(NCc1ccnc(N2CCCCC2)c1)c1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000096012328 569380002 /nfs/dbraw/zinc/38/00/02/569380002.db2.gz XSVLZIFTUJOWFU-UHFFFAOYSA-N -1 0 442.463 3.263 50 0 IGAARM CSc1ccc(CNC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000096361032 569397654 /nfs/dbraw/zinc/39/76/54/569397654.db2.gz RAYZHSNDADCFDA-UHFFFAOYSA-N -1 0 434.518 3.310 50 0 IGAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccc3[nH]ccc3c2)CC4)cc1 ZINC000097161541 569403248 /nfs/dbraw/zinc/40/32/48/569403248.db2.gz CPSHFDBCDNLZGS-UHFFFAOYSA-N -1 0 439.475 3.378 50 0 IGAARM COCCOc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c(Cl)cc1Cl ZINC000002571528 569409782 /nfs/dbraw/zinc/40/97/82/569409782.db2.gz ZAYKBVCJIMILRP-UHFFFAOYSA-N -1 0 434.297 3.299 50 0 IGAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4nc5ccccc5nc4C)CC3)c2c1 ZINC000032094755 569459788 /nfs/dbraw/zinc/45/97/88/569459788.db2.gz XZRBOQUEPHKIOZ-JOCHJYFZSA-N -1 0 431.496 3.376 50 0 IGAARM O=C(NCc1cccnc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000008661819 569469826 /nfs/dbraw/zinc/46/98/26/569469826.db2.gz IHDRSNKORZBCGO-UHFFFAOYSA-N -1 0 446.488 3.161 50 0 IGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1N1CCCC1=O ZINC000008710344 569470874 /nfs/dbraw/zinc/47/08/74/569470874.db2.gz JYEOFERTMVUFHO-UHFFFAOYSA-N -1 0 442.522 3.323 50 0 IGAARM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(C)C)C(=O)[O-] ZINC000008743203 569472995 /nfs/dbraw/zinc/47/29/95/569472995.db2.gz VNXKVADPEPIJHY-WDSOQIARSA-N -1 0 446.548 3.469 50 0 IGAARM CCC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3)C(=O)[O-] ZINC000008765246 569474760 /nfs/dbraw/zinc/47/47/60/569474760.db2.gz ZJAXMVXLOPUOOI-OAHLLOKOSA-N -1 0 431.485 3.126 50 0 IGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OCC(N)=O)cc2)CC(=O)N3)cc1 ZINC000040288202 569498449 /nfs/dbraw/zinc/49/84/49/569498449.db2.gz ZREFHSCPVCEZRD-QGZVFWFLSA-N -1 0 435.436 3.172 50 0 IGAARM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000009126151 569504802 /nfs/dbraw/zinc/50/48/02/569504802.db2.gz HONYIWXQJXPROF-UHFFFAOYSA-N -1 0 437.568 3.190 50 0 IGAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)NC1CC1 ZINC000009126871 569505044 /nfs/dbraw/zinc/50/50/44/569505044.db2.gz HHMJBOOWTFIKIZ-SNVBAGLBSA-N -1 0 428.919 3.026 50 0 IGAARM CCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(OC)cc3)N(c3ccccc3)N2)C1=O ZINC000009331523 569523125 /nfs/dbraw/zinc/52/31/25/569523125.db2.gz WWQFLIQSBLIFDQ-LCPUNJGISA-N -1 0 434.496 3.284 50 0 IGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000009526996 569544627 /nfs/dbraw/zinc/54/46/27/569544627.db2.gz PMLRUMPRWMYVRC-UHFFFAOYSA-N -1 0 430.935 3.079 50 0 IGAARM O=C(COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000009592952 569550366 /nfs/dbraw/zinc/55/03/66/569550366.db2.gz ALQAZGLKEXFSBL-UHFFFAOYSA-N -1 0 448.353 3.408 50 0 IGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1C ZINC000009675421 569559265 /nfs/dbraw/zinc/55/92/65/569559265.db2.gz TYYGUNIFLYQHBP-ROUUACIJSA-N -1 0 429.839 3.028 50 0 IGAARM Cc1ccc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000009675416 569559284 /nfs/dbraw/zinc/55/92/84/569559284.db2.gz KKRBFDSAVBOGQW-MSOLQXFVSA-N -1 0 429.839 3.028 50 0 IGAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCCCC1 ZINC000009831815 569570218 /nfs/dbraw/zinc/57/02/18/569570218.db2.gz FFPLWDDRNOOPRF-UHFFFAOYSA-N -1 0 427.526 3.240 50 0 IGAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000009835847 569570661 /nfs/dbraw/zinc/57/06/61/569570661.db2.gz TZVMUUMAPJGCNX-IAGOWNOFSA-N -1 0 432.267 3.234 50 0 IGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1 ZINC000009836067 569570713 /nfs/dbraw/zinc/57/07/13/569570713.db2.gz TVDBKRLARJXULO-RBUKOAKNSA-N -1 0 427.411 3.020 50 0 IGAARM CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[N-]OCc1ccccc1 ZINC000010318552 569580880 /nfs/dbraw/zinc/58/08/80/569580880.db2.gz VTTXFMQEZXWFIK-KRWDZBQOSA-N -1 0 441.347 3.000 50 0 IGAARM O=C(Cn1nnc(-c2ccccc2)n1)N1[N-]C(=S)SC=C1c1ccc(Cl)cc1 ZINC000000639511 193867101 /nfs/dbraw/zinc/86/71/01/193867101.db2.gz BSQLVKCDWVGMFT-UHFFFAOYSA-N -1 0 428.930 3.357 50 0 IGAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1Cl ZINC000001153323 132237636 /nfs/dbraw/zinc/23/76/36/132237636.db2.gz JPOMMPHQQTZSHS-LDADJPATSA-N -1 0 425.872 3.151 50 0 IGAARM Cc1ccc(NC(=O)c2cc(NC(=O)/C=C\C(=O)[O-])ccc2N2CCOCC2)cc1Cl ZINC000006432572 132277162 /nfs/dbraw/zinc/27/71/62/132277162.db2.gz MVVLIWNZEHPOMB-SREVYHEPSA-N -1 0 443.887 3.317 50 0 IGAARM CCCN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000041125203 519865405 /nfs/dbraw/zinc/86/54/05/519865405.db2.gz ALHRKXDIVISYDM-UHFFFAOYSA-N -1 0 426.450 3.415 50 0 IGAARM CCOCCCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccncc1 ZINC000021988792 519901491 /nfs/dbraw/zinc/90/14/91/519901491.db2.gz PXTPXKKQBUMFHJ-UHFFFAOYSA-N -1 0 428.543 3.357 50 0 IGAARM CCN(C(C)=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C)[n-]c1=O ZINC000021157492 520133069 /nfs/dbraw/zinc/13/30/69/520133069.db2.gz HWCSKONDFLOLDR-UHFFFAOYSA-N -1 0 437.525 3.244 50 0 IGAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)NCCCOC)c(=O)c2cc1OCC ZINC000020644789 520788219 /nfs/dbraw/zinc/78/82/19/520788219.db2.gz CWQBCLWQTPTRCP-UHFFFAOYSA-N -1 0 437.562 3.179 50 0 IGAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])cc2)CC1 ZINC000017099033 521032810 /nfs/dbraw/zinc/03/28/10/521032810.db2.gz JCLYGCARWMVYFA-MPIRFRCKSA-N -1 0 434.558 3.183 50 0 IGAARM CCOc1ccc(NC(=O)CN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000021045970 521060110 /nfs/dbraw/zinc/06/01/10/521060110.db2.gz OFZJORFYTLKHQQ-LJQANCHMSA-N -1 0 428.485 3.115 50 0 IGAARM CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2[O-])cc1 ZINC000012422096 521512080 /nfs/dbraw/zinc/51/20/80/521512080.db2.gz GMSHWDZHXYBTTQ-UHFFFAOYSA-N -1 0 446.525 3.386 50 0 IGAARM CCN1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000022626834 521692895 /nfs/dbraw/zinc/69/28/95/521692895.db2.gz HJRSIQABHIOHRQ-OAHLLOKOSA-N -1 0 436.379 3.294 50 0 IGAARM COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1)CN(C(=O)C1=CCCC1)CC2 ZINC000012246630 521792166 /nfs/dbraw/zinc/79/21/66/521792166.db2.gz NTZGVFSDEJDZSQ-UHFFFAOYSA-N -1 0 446.550 3.331 50 0 IGAARM COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)[O-])[C@H]3C)c1Br)OCO2 ZINC000035327410 521881390 /nfs/dbraw/zinc/88/13/90/521881390.db2.gz BRSZUUIBINMIPE-ALFREKQPSA-N -1 0 437.040 3.097 50 0 IGAARM COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017098846 522307137 /nfs/dbraw/zinc/30/71/37/522307137.db2.gz YDSYHZIGQNPHIS-WDEREUQCSA-N -1 0 434.495 3.454 50 0 IGAARM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000035686286 523072749 /nfs/dbraw/zinc/07/27/49/523072749.db2.gz HJSQDKDGHIOANW-FQEVSTJZSA-N -1 0 448.475 3.336 50 0 IGAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000012584211 523508781 /nfs/dbraw/zinc/50/87/81/523508781.db2.gz HDSLVIHKHMDMDN-UHFFFAOYSA-N -1 0 425.304 3.385 50 0 IGAARM COc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000012382143 523617855 /nfs/dbraw/zinc/61/78/55/523617855.db2.gz LLLNAUMSORGACA-UMSHPIDHSA-N -1 0 428.460 3.221 50 0 IGAARM COc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)c2)c1 ZINC000021931309 526204700 /nfs/dbraw/zinc/20/47/00/526204700.db2.gz JYKFEGWNAPWNKI-UHFFFAOYSA-N -1 0 440.481 3.102 50 0 IGAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc([C@]4(C)NC(=O)NC4=O)c3)s2)cs1 ZINC000089712612 526578399 /nfs/dbraw/zinc/57/83/99/526578399.db2.gz JTPLYBVTWZJPPL-SFHVURJKSA-N -1 0 448.551 3.035 50 0 IGAARM NC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000022852175 526858419 /nfs/dbraw/zinc/85/84/19/526858419.db2.gz SMOXYIKKVVGUQY-INIZCTEOSA-N -1 0 441.488 3.182 50 0 IGAARM O=C([O-])CCC(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000036724673 527572888 /nfs/dbraw/zinc/57/28/88/527572888.db2.gz ZCYUXYDYUYVRJM-UHFFFAOYSA-N -1 0 430.464 3.098 50 0 IGAARM COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000000668119 555529602 /nfs/dbraw/zinc/52/96/02/555529602.db2.gz DQKFZBXGCNIGIL-OLJONYEBSA-N -1 0 425.440 3.331 50 0 IGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(Br)c1 ZINC000000800960 555559028 /nfs/dbraw/zinc/55/90/28/555559028.db2.gz ONMZNGKFQUUNIV-UHFFFAOYSA-N -1 0 433.287 3.292 50 0 IGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)n1 ZINC000000888651 555579502 /nfs/dbraw/zinc/57/95/02/555579502.db2.gz LHRCYEYHADVEBT-UHFFFAOYSA-N -1 0 426.498 3.220 50 0 IGAARM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000942860 555587434 /nfs/dbraw/zinc/58/74/34/555587434.db2.gz ROTISOBMQVVIDW-UHFFFAOYSA-N -1 0 432.889 3.257 50 0 IGAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000001515299 555702581 /nfs/dbraw/zinc/70/25/81/555702581.db2.gz PIMGIGKZXFSWNL-UHFFFAOYSA-N -1 0 434.242 3.292 50 0 IGAARM O=C(CCc1nnc(-c2cccc(OCC3CC3)c2)[n-]c1=O)NCc1ccc2c(c1)OCO2 ZINC000034765486 555906429 /nfs/dbraw/zinc/90/64/29/555906429.db2.gz RHIRDRLSWHVDDI-UHFFFAOYSA-N -1 0 448.479 3.011 50 0 IGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005608787 556060407 /nfs/dbraw/zinc/06/04/07/556060407.db2.gz JNRHNGGTJOBXHL-GOTSBHOMSA-N -1 0 446.503 3.336 50 0 IGAARM CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005706618 556063619 /nfs/dbraw/zinc/06/36/19/556063619.db2.gz YZFYPHPNSMINOZ-SFTDATJTSA-N -1 0 437.496 3.375 50 0 IGAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000006278443 556083468 /nfs/dbraw/zinc/08/34/68/556083468.db2.gz SYXUNTBQNINHFO-OAQYLSRUSA-N -1 0 433.493 3.331 50 0 IGAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000006625679 556098887 /nfs/dbraw/zinc/09/88/87/556098887.db2.gz CMHGIUMUKKMYOX-UHFFFAOYSA-N -1 0 448.280 3.376 50 0 IGAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)cc1CSc1nc2ccccc2[nH]1 ZINC000009504362 556295459 /nfs/dbraw/zinc/29/54/59/556295459.db2.gz YLUDXVPATJVICU-IEBWSBKVSA-N -1 0 435.509 3.275 50 0 IGAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000009748585 556308319 /nfs/dbraw/zinc/30/83/19/556308319.db2.gz YQTAQDZGZZYUDI-ZWKOTPCHSA-N -1 0 443.916 3.302 50 0 IGAARM O=C(CCc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009805837 556309347 /nfs/dbraw/zinc/30/93/47/556309347.db2.gz GSDKJOKQPLNDCS-UHFFFAOYSA-N -1 0 446.579 3.390 50 0 IGAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)C1 ZINC000013949251 556344244 /nfs/dbraw/zinc/34/42/44/556344244.db2.gz JWQFVHYTQHSGEP-OKILXGFUSA-N -1 0 444.525 3.432 50 0 IGAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)[n-]c2=O)cc1 ZINC000032778600 556351704 /nfs/dbraw/zinc/35/17/04/556351704.db2.gz QJXSPFKKNGYOPJ-UHFFFAOYSA-N -1 0 437.525 3.120 50 0 IGAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)NCc1ccc(Cl)cc1 ZINC000032836323 556418284 /nfs/dbraw/zinc/41/82/84/556418284.db2.gz DOAHXKCVEMVBLG-UHFFFAOYSA-N -1 0 444.900 3.077 50 0 IGAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)Nc1c(F)cccc1F ZINC000032836333 556418292 /nfs/dbraw/zinc/41/82/92/556418292.db2.gz VGPTXEQGDAHWJW-UHFFFAOYSA-N -1 0 432.408 3.024 50 0 IGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(I)cc2)C[C@H]1C(=O)[O-] ZINC000014632492 556430077 /nfs/dbraw/zinc/43/00/77/556430077.db2.gz OJWUZZHWGZOQDV-STQMWFEESA-N -1 0 433.242 3.133 50 0 IGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(Cc2ccccc2)o1 ZINC000013417269 556505166 /nfs/dbraw/zinc/50/51/66/556505166.db2.gz ISGQUXLSFFMRCJ-SFHVURJKSA-N -1 0 436.493 3.046 50 0 IGAARM Cc1nnc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1C1CCCCC1 ZINC000013409280 556505204 /nfs/dbraw/zinc/50/52/04/556505204.db2.gz XZZMJUAGBKXNFD-IBGZPJMESA-N -1 0 441.557 3.477 50 0 IGAARM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N1CCN(C(=O)c2ccccc2)CC1 ZINC000032721207 556530332 /nfs/dbraw/zinc/53/03/32/556530332.db2.gz MQETWWYPRWZOHF-UHFFFAOYSA-N -1 0 444.413 3.195 50 0 IGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000013682934 556557698 /nfs/dbraw/zinc/55/76/98/556557698.db2.gz AVTBUFLNGRBBTC-UHFFFAOYSA-N -1 0 426.479 3.038 50 0 IGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000016650991 556620654 /nfs/dbraw/zinc/62/06/54/556620654.db2.gz DRJZGLNRHPYSQU-UHFFFAOYSA-N -1 0 434.539 3.232 50 0 IGAARM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000033738393 556627813 /nfs/dbraw/zinc/62/78/13/556627813.db2.gz ZIQQCEIFLOXHFL-PSTGCABASA-N -1 0 448.545 3.029 50 0 IGAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(F)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011795880 556656929 /nfs/dbraw/zinc/65/69/29/556656929.db2.gz UESFSFXGFXCXAT-QGZVFWFLSA-N -1 0 449.529 3.158 50 0 IGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000011795867 556656957 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438.933 3.183 50 0 IGAARM CC(=O)O[C@@H]1CC[C@]2(C(=O)[O-])[C@@H]3CC[C@]4(C)C(=CC[C@H]4C4=CC(=O)OC4)[C@H]3CC[C@@]2(O)C1 ZINC000257350225 568731287 /nfs/dbraw/zinc/73/12/87/568731287.db2.gz VRNKAZNHDYUPQK-DYPNWIQFSA-N -1 0 444.524 3.160 50 0 IGAARM O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000003454817 568749848 /nfs/dbraw/zinc/74/98/48/568749848.db2.gz LHTLBVKRRQVCCX-UHFFFAOYSA-N -1 0 441.494 3.149 50 0 IGAARM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)c(OC)c1 ZINC000015670688 568802640 /nfs/dbraw/zinc/80/26/40/568802640.db2.gz QZVZZPMGMZQPOV-SFHVURJKSA-N -1 0 439.493 3.154 50 0 IGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc21)[NH+]1CCCCC1 ZINC000245255219 568913658 /nfs/dbraw/zinc/91/36/58/568913658.db2.gz GEFJTHNVEMKIAF-RZQQEMMASA-N -1 0 425.485 3.385 50 0 IGAARM CC(=O)N[C@@H](CS[C@H](CC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000001896386 568918038 /nfs/dbraw/zinc/91/80/38/568918038.db2.gz JOAAAEPWSLHEFF-LAUBAEHRSA-N -1 0 429.494 3.360 50 0 IGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O ZINC000035829512 568928099 /nfs/dbraw/zinc/92/80/99/568928099.db2.gz VFDIMISRDMDPAY-NVMNQCDNSA-N -1 0 428.370 3.397 50 0 IGAARM CCCC(=O)Nc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1C(=O)[O-] ZINC000064589372 568934870 /nfs/dbraw/zinc/93/48/70/568934870.db2.gz KPYRFRCEOXKOFA-UHFFFAOYSA-N -1 0 438.528 3.193 50 0 IGAARM CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000016690226 568938532 /nfs/dbraw/zinc/93/85/32/568938532.db2.gz FSIBGVGXVVGAGZ-KRWDZBQOSA-N -1 0 429.546 3.231 50 0 IGAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)[n-]c1=O ZINC000064774879 568954199 /nfs/dbraw/zinc/95/41/99/568954199.db2.gz YPRTXQLAAKIZNI-UHFFFAOYSA-N -1 0 431.424 3.212 50 0 IGAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1C(=O)[O-] ZINC000036358659 569085201 /nfs/dbraw/zinc/08/52/01/569085201.db2.gz OUGADKCOGPYJKL-NRFANRHFSA-N -1 0 441.915 3.473 50 0 IGAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1C(=O)[O-] ZINC000036358882 569085377 /nfs/dbraw/zinc/08/53/77/569085377.db2.gz VHLHNCXINIPFQF-KXOMFBTKSA-N -1 0 433.508 3.333 50 0 IGAARM Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C(=O)[O-] ZINC000036360442 569086406 /nfs/dbraw/zinc/08/64/06/569086406.db2.gz MLRMPMMMLKMQIC-HXUWFJFHSA-N -1 0 427.888 3.478 50 0 IGAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036360834 569086707 /nfs/dbraw/zinc/08/67/07/569086707.db2.gz AQBLDJZVKSVXTH-FQEVSTJZSA-N -1 0 427.888 3.478 50 0 IGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098869 569104454 /nfs/dbraw/zinc/10/44/54/569104454.db2.gz NLTDXFRFUITAOU-UHFFFAOYSA-N -1 0 448.526 3.152 50 0 IGAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1 ZINC000065184027 569113959 /nfs/dbraw/zinc/11/39/59/569113959.db2.gz ZJHGNMULCZKNMZ-UHFFFAOYSA-N -1 0 435.575 3.114 50 0 IGAARM 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ZINC000011767257 556349715 /nfs/dbraw/zinc/34/97/15/556349715.db2.gz FOWRIOVPQVITMR-FQEVSTJZSA-N -1 0 431.483 3.491 50 0 IGAARM COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1OC ZINC000011990803 556383709 /nfs/dbraw/zinc/38/37/09/556383709.db2.gz IANOFGIXLFMBEJ-ZQIUZPCESA-N -1 0 446.472 3.034 50 0 IGAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1C ZINC000013314122 556502406 /nfs/dbraw/zinc/50/24/06/556502406.db2.gz RDOLNCZRKGPTTP-UHFFFAOYSA-N -1 0 430.526 3.106 50 0 IGAARM Cc1ccc(C)c(-n2cnnc2SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000013398163 556504288 /nfs/dbraw/zinc/50/42/88/556504288.db2.gz GVAPMBOVIRQZLW-LJQANCHMSA-N -1 0 449.536 3.270 50 0 IGAARM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O ZINC000013575050 556525071 /nfs/dbraw/zinc/52/50/71/556525071.db2.gz YIDTYMWPALKFRS-VIZOYTHASA-N -1 0 432.841 3.419 50 0 IGAARM Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000754704 556573107 /nfs/dbraw/zinc/57/31/07/556573107.db2.gz YCTSZLPKRQVAJX-UHFFFAOYSA-N -1 0 431.491 3.327 50 0 IGAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1 ZINC000032962234 556580683 /nfs/dbraw/zinc/58/06/83/556580683.db2.gz CIEKWCRKDDWXAE-UHFFFAOYSA-N -1 0 431.297 3.329 50 0 IGAARM CCN(C)C(=O)CCc1nnc(-c2ccc(OCc3cccc(F)c3)c(OC)c2)[n-]c1=O ZINC000034766692 556582240 /nfs/dbraw/zinc/58/22/40/556582240.db2.gz CYGNPLYBKVQJEF-UHFFFAOYSA-N -1 0 440.475 3.382 50 0 IGAARM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011795864 556656917 /nfs/dbraw/zinc/65/69/17/556656917.db2.gz BHZCUAWTUNMDEA-GOSISDBHSA-N -1 0 445.566 3.273 50 0 IGAARM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC000079108545 556737215 /nfs/dbraw/zinc/73/72/15/556737215.db2.gz XXIZKRXBJYWLDA-UHFFFAOYSA-N -1 0 443.959 3.453 50 0 IGAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)NCc2ccc(F)cc2)CC4)cc1 ZINC000097942119 556812967 /nfs/dbraw/zinc/81/29/67/556812967.db2.gz 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IGAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 ZINC000085808741 557076689 /nfs/dbraw/zinc/07/66/89/557076689.db2.gz WIXGPGSZYBWSDJ-UHFFFAOYSA-N -1 0 435.893 3.063 50 0 IGAARM O=C(Nc1ccc2c(c1)NC(=O)CO2)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000023342848 557086325 /nfs/dbraw/zinc/08/63/25/557086325.db2.gz WMONIYLGHDRJJN-UHFFFAOYSA-N -1 0 429.479 3.132 50 0 IGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(C)c5)c(=O)c3=4)n2)cc1C ZINC000049002751 557090406 /nfs/dbraw/zinc/09/04/06/557090406.db2.gz IIOOURCXIIAJNN-WOJBJXKFSA-N -1 0 430.468 3.464 50 0 IGAARM CCOC(=O)c1cccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000049003353 557091046 /nfs/dbraw/zinc/09/10/46/557091046.db2.gz KZEBZWARHDEHBA-UHFFFAOYSA-N -1 0 446.460 3.087 50 0 IGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(O)c(OC)c2)CC(=O)N3)c(OC)c1 ZINC000049543230 557110562 /nfs/dbraw/zinc/11/05/62/557110562.db2.gz ISLZIQCWWQSVSN-AWEZNQCLSA-N -1 0 438.436 3.381 50 0 IGAARM O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000003179400 557191082 /nfs/dbraw/zinc/19/10/82/557191082.db2.gz VINWZTHWWNNZOJ-ZENOOKHLSA-N -1 0 434.201 3.492 50 0 IGAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000100890826 557198629 /nfs/dbraw/zinc/19/86/29/557198629.db2.gz XCIKKZCKINKRLP-OALUTQOASA-N -1 0 425.876 3.395 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1Cl ZINC000101083669 557231611 /nfs/dbraw/zinc/23/16/11/557231611.db2.gz MMUNSAWZQLYJFH-RBUKOAKNSA-N -1 0 425.876 3.197 50 0 IGAARM Cc1ccc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000101083659 557231645 /nfs/dbraw/zinc/23/16/45/557231645.db2.gz VQXYRBRLTCWUPU-RBUKOAKNSA-N -1 0 425.876 3.197 50 0 IGAARM Cc1[n-]n2c(nc(CSc3nnnn3-c3ccccc3)cc2=O)c1-c1ccc(F)cc1 ZINC000100133278 557242009 /nfs/dbraw/zinc/24/20/09/557242009.db2.gz QSTLMPFGJIDFPC-UHFFFAOYSA-N -1 0 433.472 3.405 50 0 IGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1 ZINC000101166661 557258349 /nfs/dbraw/zinc/25/83/49/557258349.db2.gz OGQJSDUMFACIJX-OALUTQOASA-N -1 0 425.876 3.143 50 0 IGAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 ZINC000013078476 557275613 /nfs/dbraw/zinc/27/56/13/557275613.db2.gz LQQUFDBCEVJPKJ-UHFFFAOYSA-N -1 0 431.251 3.109 50 0 IGAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000101387313 557282163 /nfs/dbraw/zinc/28/21/63/557282163.db2.gz BKJGXIVWBRZJSF-IRXDYDNUSA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)c(Cl)c4)c=3c2=O)cc1C ZINC000101389298 557282616 /nfs/dbraw/zinc/28/26/16/557282616.db2.gz GWYXAYIZWQSYFJ-ROUUACIJSA-N -1 0 429.839 3.028 50 0 IGAARM CCOC(=O)c1c[n-]n(C2CCN(C(=O)Nc3nnc(C4CCCCC4)s3)CC2)c1=N ZINC000101396113 557283469 /nfs/dbraw/zinc/28/34/69/557283469.db2.gz SPHMUVCLIYECAO-UHFFFAOYSA-N -1 0 447.565 3.241 50 0 IGAARM O=C(NCc1cc(F)cc(F)c1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101722970 557294740 /nfs/dbraw/zinc/29/47/40/557294740.db2.gz QPUMOVWKOGDMAO-UHFFFAOYSA-N -1 0 425.366 3.439 50 0 IGAARM COc1ccc(OC)c(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000101723162 557294795 /nfs/dbraw/zinc/29/47/95/557294795.db2.gz VHKNBFLYILTHDT-UHFFFAOYSA-N -1 0 435.411 3.500 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)c=3c2=O)cc1 ZINC000101893747 557306425 /nfs/dbraw/zinc/30/64/25/557306425.db2.gz NZOALWAWVZAVKT-VQTJNVASSA-N -1 0 446.467 3.326 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)c(Cl)c4)c=3c2=O)cc1 ZINC000103085882 557418401 /nfs/dbraw/zinc/41/84/01/557418401.db2.gz NFQHQQBXSJZMGN-IAGOWNOFSA-N -1 0 432.267 3.234 50 0 IGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000675159 557662764 /nfs/dbraw/zinc/66/27/64/557662764.db2.gz KOGPBUASJNWATH-RBUKOAKNSA-N -1 0 428.510 3.268 50 0 IGAARM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000096248555 557769758 /nfs/dbraw/zinc/76/97/58/557769758.db2.gz GBNCEHYVGSUXEO-AWNIVKPZSA-N -1 0 425.894 3.318 50 0 IGAARM CCn1c(CSc2nnc(-c3ccncc3)n2CCOC)nc2cc(C(=O)[O-])ccc21 ZINC000002642004 562929066 /nfs/dbraw/zinc/92/90/66/562929066.db2.gz KRWZPVMMLCBXMN-UHFFFAOYSA-N -1 0 438.513 3.347 50 0 IGAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000004035069 562941040 /nfs/dbraw/zinc/94/10/40/562941040.db2.gz YGUYYFOSWIAMLT-KRWDZBQOSA-N -1 0 441.488 3.084 50 0 IGAARM Cc1ccc(CNC(=O)c2ccc3c([O-])c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1 ZINC000008589476 562951207 /nfs/dbraw/zinc/95/12/07/562951207.db2.gz NWHREXUHLPHNJM-UHFFFAOYSA-N -1 0 448.500 3.305 50 0 IGAARM Cc1ccc(S(=O)(=O)c2cnc(S[C@@H](C)C(=O)Nc3ccccc3)[n-]c2=O)cc1 ZINC000008604647 562956443 /nfs/dbraw/zinc/95/64/43/562956443.db2.gz NFDQUZURNQRGCL-AWEZNQCLSA-N -1 0 429.523 3.030 50 0 IGAARM CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccs3)C2)cc1 ZINC000009673757 562975293 /nfs/dbraw/zinc/97/52/93/562975293.db2.gz 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556122388 /nfs/dbraw/zinc/12/23/88/556122388.db2.gz QNNZFLGBQWUYGD-UHFFFAOYSA-N -1 0 426.498 3.222 50 0 IGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c1 ZINC000002804944 556143350 /nfs/dbraw/zinc/14/33/50/556143350.db2.gz KBJIQKLGCWUPGI-SNVBAGLBSA-N -1 0 444.351 3.036 50 0 IGAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 ZINC000002794541 556145291 /nfs/dbraw/zinc/14/52/91/556145291.db2.gz NAXFNKFTBCAHFP-UHFFFAOYSA-N -1 0 430.255 3.307 50 0 IGAARM O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000008746694 556210067 /nfs/dbraw/zinc/21/00/67/556210067.db2.gz JTGTVUFIWNCCNW-UHFFFAOYSA-N -1 0 444.534 3.293 50 0 IGAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)c1 ZINC000009748241 556307747 /nfs/dbraw/zinc/30/77/47/556307747.db2.gz VZDDQUPOQHLSOX-RTBURBONSA-N -1 0 425.876 3.197 50 0 IGAARM COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCC2)ccc1NC(C)=O ZINC000013059050 556450150 /nfs/dbraw/zinc/45/01/50/556450150.db2.gz 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O=C([O-])CCCCCNC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000012296578 527579749 /nfs/dbraw/zinc/57/97/49/527579749.db2.gz GIRPXIVZFBTRAG-UHFFFAOYSA-N -1 0 425.437 3.306 50 0 IGAARM O=C([O-])COc1ccc(Br)cc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000015013159 527617248 /nfs/dbraw/zinc/61/72/48/527617248.db2.gz WEPOSKVTXINPCR-OVCLIPMQSA-N -1 0 449.232 3.145 50 0 IGAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 ZINC000012406194 527617607 /nfs/dbraw/zinc/61/76/07/527617607.db2.gz VMUOZEPCJJPKNE-APSNUPSMSA-N -1 0 448.403 3.103 50 0 IGAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)c(C(F)(F)F)c1Cl)CCCC3 ZINC000000653074 555523822 /nfs/dbraw/zinc/52/38/22/555523822.db2.gz SECOBUHEJPBJEB-UHFFFAOYSA-N -1 0 445.854 3.435 50 0 IGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1OC ZINC000000678018 555535691 /nfs/dbraw/zinc/53/56/91/555535691.db2.gz FRUMLWKVFFRSAJ-UHFFFAOYSA-N -1 0 442.497 3.164 50 0 IGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)c1C ZINC000001116821 555634901 /nfs/dbraw/zinc/63/49/01/555634901.db2.gz AHCWKONWQKSZRX-UHFFFAOYSA-N -1 0 439.449 3.451 50 0 IGAARM Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000001773810 555714017 /nfs/dbraw/zinc/71/40/17/555714017.db2.gz WPNULENMRGIZLC-UHFFFAOYSA-N -1 0 426.498 3.384 50 0 IGAARM Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)[O-])c1 ZINC000001782747 555714934 /nfs/dbraw/zinc/71/49/34/555714934.db2.gz VZRPYQUEJRDNSF-SFTDATJTSA-N -1 0 447.443 3.469 50 0 IGAARM Cc1c(C)c2ccc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])cc2oc1=O ZINC000002113246 555744752 /nfs/dbraw/zinc/74/47/52/555744752.db2.gz FEYCRZUJWRGTAX-GOSISDBHSA-N -1 0 429.856 3.254 50 0 IGAARM O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002461601 555782943 /nfs/dbraw/zinc/78/29/43/555782943.db2.gz DXLIEVAXUXXAMA-IZZDOVSWSA-N -1 0 444.563 3.470 50 0 IGAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1I ZINC000002999000 555877328 /nfs/dbraw/zinc/87/73/28/555877328.db2.gz YSSKTIYMWSEWNJ-UHFFFAOYSA-N -1 0 440.262 3.425 50 0 IGAARM CCCn1nnnc1COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000010556585 555986779 /nfs/dbraw/zinc/98/67/79/555986779.db2.gz UQYQYUYKOKBYGW-UHFFFAOYSA-N -1 0 443.529 3.166 50 0 IGAARM COc1cc2ccc(C)nc2c([N-]S(=O)(=O)c2ccc(C(=O)OCOC(C)=O)cc2)c1 ZINC000006057202 556073235 /nfs/dbraw/zinc/07/32/35/556073235.db2.gz ZCVIWNFCXWULOJ-UHFFFAOYSA-N -1 0 444.465 3.030 50 0 IGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000008616721 556192958 /nfs/dbraw/zinc/19/29/58/556192958.db2.gz HAOVUQYISRWMLQ-UHFFFAOYSA-N -1 0 436.843 3.162 50 0 IGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000008687453 556200189 /nfs/dbraw/zinc/20/01/89/556200189.db2.gz QBGIHOUIQZNXJX-ONQWYEKWSA-N -1 0 432.451 3.409 50 0 IGAARM COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000009261162 556268983 /nfs/dbraw/zinc/26/89/83/556268983.db2.gz PLIWVYZLLYIYNJ-LICLKQGHSA-N -1 0 427.434 3.173 50 0 IGAARM CC(=O)NCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000013777905 556307874 /nfs/dbraw/zinc/30/78/74/556307874.db2.gz LJCXQBBQBZTMBA-UHFFFAOYSA-N -1 0 430.313 3.259 50 0 IGAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000011851894 556367477 /nfs/dbraw/zinc/36/74/77/556367477.db2.gz NOVXEUDJUGASDK-UHFFFAOYSA-N -1 0 449.554 3.075 50 0 IGAARM CCc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)s1 ZINC000012063022 556395686 /nfs/dbraw/zinc/39/56/86/556395686.db2.gz VHUVEFKUNQMEOJ-UHFFFAOYSA-N -1 0 437.934 3.079 50 0 IGAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000013135450 556483327 /nfs/dbraw/zinc/48/33/27/556483327.db2.gz BJEHIOZCCYOOBT-UHFFFAOYSA-N -1 0 442.287 3.198 50 0 IGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(Cc2ccccc2)o1 ZINC000013417267 556505142 /nfs/dbraw/zinc/50/51/42/556505142.db2.gz ISGQUXLSFFMRCJ-GOSISDBHSA-N -1 0 436.493 3.046 50 0 IGAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2cc(C(=O)c3ccccc3[O-])cn2)nc1 ZINC000015232302 556512984 /nfs/dbraw/zinc/51/29/84/556512984.db2.gz CAEXYIWPMYMXJM-UHFFFAOYSA-N -1 0 448.504 3.419 50 0 IGAARM CCCc1nnc(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)n1CC(=O)[O-] ZINC000015565476 556535356 /nfs/dbraw/zinc/53/53/56/556535356.db2.gz BWFPZHVFMOMCGX-UHFFFAOYSA-N -1 0 438.358 3.188 50 0 IGAARM O=c1[n-]c(SCc2nnnn2-c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000013627512 556537774 /nfs/dbraw/zinc/53/77/74/556537774.db2.gz KZEZARFVBKKXST-UHFFFAOYSA-N -1 0 431.403 3.119 50 0 IGAARM O=C1N[C@H](c2cccc(Cl)c2Cl)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000015906325 556562903 /nfs/dbraw/zinc/56/29/03/556562903.db2.gz DCLCYDQQKLNUDF-AXAPSJFSSA-N -1 0 434.201 3.492 50 0 IGAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000011795877 556656757 /nfs/dbraw/zinc/65/67/57/556656757.db2.gz ZWELMENLUVEFJZ-SFHVURJKSA-N -1 0 445.566 3.327 50 0 IGAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011795932 556656777 /nfs/dbraw/zinc/65/67/77/556656777.db2.gz LTTOWSYSZQYSKH-QGZVFWFLSA-N -1 0 449.529 3.158 50 0 IGAARM CCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000017098005 556662549 /nfs/dbraw/zinc/66/25/49/556662549.db2.gz CAAPXXSLOHYRLA-UHFFFAOYSA-N -1 0 432.527 3.031 50 0 IGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)s1 ZINC000017195581 556672670 /nfs/dbraw/zinc/67/26/70/556672670.db2.gz CMSYHNSRNXLHDZ-UHFFFAOYSA-N -1 0 447.567 3.028 50 0 IGAARM CCOC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326258 556724387 /nfs/dbraw/zinc/72/43/87/556724387.db2.gz BNMFMYVQCUUPDT-HNNXBMFYSA-N -1 0 427.453 3.345 50 0 IGAARM Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000058377404 556783686 /nfs/dbraw/zinc/78/36/86/556783686.db2.gz PHVHDFBDRPZPQX-UHFFFAOYSA-N -1 0 427.526 3.307 50 0 IGAARM COC(=O)c1cc(C)sc1NC(=S)N[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000019634762 556834444 /nfs/dbraw/zinc/83/44/44/556834444.db2.gz YGKSEUJWKDEMRJ-UHFFFAOYSA-N -1 0 441.600 3.321 50 0 IGAARM CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])C1 ZINC000033253421 556893788 /nfs/dbraw/zinc/89/37/88/556893788.db2.gz PODIYZSNGILBKW-INIZCTEOSA-N -1 0 446.525 3.274 50 0 IGAARM CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1 ZINC000033253525 556893991 /nfs/dbraw/zinc/89/39/91/556893991.db2.gz XBPBLWGRMSUNSQ-UHFFFAOYSA-N -1 0 446.525 3.274 50 0 IGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1 ZINC000023126428 557007868 /nfs/dbraw/zinc/00/78/68/557007868.db2.gz YKFMMEAKBXRHDX-QZTJIDSGSA-N -1 0 436.859 3.446 50 0 IGAARM CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)cc1 ZINC000049002656 557090489 /nfs/dbraw/zinc/09/04/89/557090489.db2.gz OEHSZASZIOAPHH-RTBURBONSA-N -1 0 432.440 3.017 50 0 IGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000049003393 557091059 /nfs/dbraw/zinc/09/10/59/557091059.db2.gz KWLONOXIOGMUEF-UHFFFAOYSA-N -1 0 430.486 3.179 50 0 IGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H]2CCCCNC2=O)c(C)c1 ZINC000011513247 557156483 /nfs/dbraw/zinc/15/64/83/557156483.db2.gz GLLJBCCNJIWLHJ-LJQANCHMSA-N -1 0 430.526 3.238 50 0 IGAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000009763728 557191681 /nfs/dbraw/zinc/19/16/81/557191681.db2.gz KPPOVOIYKDFZKH-UHFFFAOYSA-N -1 0 426.235 3.116 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(Cl)c1 ZINC000101165908 557257724 /nfs/dbraw/zinc/25/77/24/557257724.db2.gz WWXIEFHZVWABNB-IRXDYDNUSA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000101166506 557258393 /nfs/dbraw/zinc/25/83/93/557258393.db2.gz FZGSNPCKRZIBFA-IAGOWNOFSA-N -1 0 432.267 3.234 50 0 IGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1 ZINC000101168448 557258689 /nfs/dbraw/zinc/25/86/89/557258689.db2.gz TVDBKRLARJXULO-MOPGFXCFSA-N -1 0 427.411 3.020 50 0 IGAARM Cc1ccc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000101169656 557259443 /nfs/dbraw/zinc/25/94/43/557259443.db2.gz KKRBFDSAVBOGQW-ROUUACIJSA-N -1 0 429.839 3.028 50 0 IGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc6c(c5)CCC6)c(=O)c3=4)n2)cc1 ZINC000101262738 557265616 /nfs/dbraw/zinc/26/56/16/557265616.db2.gz BWHKBPBRDOGFFM-WOJBJXKFSA-N -1 0 428.452 3.027 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(Cl)cc4)no3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101270978 557268912 /nfs/dbraw/zinc/26/89/12/557268912.db2.gz VDNAEUFUBRBKJS-JKSUJKDBSA-N -1 0 426.795 3.023 50 0 IGAARM COC(=O)c1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000101723121 557294786 /nfs/dbraw/zinc/29/47/86/557294786.db2.gz RPICXZSZDCPEOM-UHFFFAOYSA-N -1 0 433.395 3.269 50 0 IGAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1OC ZINC000101723156 557294789 /nfs/dbraw/zinc/29/47/89/557294789.db2.gz JBTKNHVJDGILMO-UHFFFAOYSA-N -1 0 435.411 3.500 50 0 IGAARM COc1ccc(-n2c(=O)c(C(=O)NCc3cc(F)cc(F)c3)c([O-])c3cccnc32)cc1 ZINC000101723294 557295122 /nfs/dbraw/zinc/29/51/22/557295122.db2.gz CLRRBHVLSHOFHQ-UHFFFAOYSA-N -1 0 437.402 3.308 50 0 IGAARM COc1ccc(C2C(=O)C(=O)N(c3nnn[n-]3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000045928575 557550569 /nfs/dbraw/zinc/55/05/69/557550569.db2.gz IQIAPRJKVBHSRQ-HNNXBMFYSA-N -1 0 428.246 3.028 50 0 IGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCc1ccc(Cl)cc1)c2=O ZINC000012415872 557835582 /nfs/dbraw/zinc/83/55/82/557835582.db2.gz ZSLAGTWKOMPEGP-UHFFFAOYSA-N -1 0 431.901 3.206 50 0 IGAARM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000000913154 562919603 /nfs/dbraw/zinc/91/96/03/562919603.db2.gz SCCVURRCCNMBPA-UHFFFAOYSA-N -1 0 431.470 3.118 50 0 IGAARM COc1ccc2c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])cc(=O)oc2c1C ZINC000002103219 562925847 /nfs/dbraw/zinc/92/58/47/562925847.db2.gz VCBDJPDTKSOARE-KRWDZBQOSA-N -1 0 429.856 3.118 50 0 IGAARM COc1ccc(-n2c3nnc([S-])n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000002314407 562926916 /nfs/dbraw/zinc/92/69/16/562926916.db2.gz KDZGOUMGAAIQSN-AWEZNQCLSA-N -1 0 428.539 3.490 50 0 IGAARM Cc1ccc(C)c(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)c1 ZINC000009599478 562973784 /nfs/dbraw/zinc/97/37/84/562973784.db2.gz FOTRFFOWPCBTAL-UHFFFAOYSA-N -1 0 429.527 3.014 50 0 aggregator IGAARM CC(=O)O[C@@H]1CC[C@]2(C(=O)[O-])[C@@H]3CC[C@]4(C)C(=CC[C@H]4C4=CC(=O)OC4)[C@H]3CC[C@]2(O)C1 ZINC000257350226 568731305 /nfs/dbraw/zinc/73/13/05/568731305.db2.gz VRNKAZNHDYUPQK-ICBGRCSXSA-N -1 0 444.524 3.160 50 0 IGAARM O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000003672789 568754282 /nfs/dbraw/zinc/75/42/82/568754282.db2.gz WEPOSKVTXINPCR-NVNXTCNLSA-N -1 0 449.232 3.145 50 0 IGAARM CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)C(=O)[O-] ZINC000015955607 568859898 /nfs/dbraw/zinc/85/98/98/568859898.db2.gz KARWALLNPOBDDX-QKFKETGDSA-N -1 0 439.464 3.463 50 0 IGAARM CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nn(-c2ccccc2)c(=O)[n-]1 ZINC000012985723 568895684 /nfs/dbraw/zinc/89/56/84/568895684.db2.gz GRODWAJFLMJOFK-UHFFFAOYSA-N -1 0 432.527 3.092 50 0 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556501115 /nfs/dbraw/zinc/50/11/15/556501115.db2.gz HWXIMSKEURRFDZ-UHFFFAOYSA-N -1 0 438.534 3.488 50 0 IGAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000013360664 556503020 /nfs/dbraw/zinc/50/30/20/556503020.db2.gz NQSYAWYKVLDOCA-INIZCTEOSA-N -1 0 425.890 3.120 50 0 IGAARM CS(=O)(=O)[N-]c1nc(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cs1 ZINC000032895002 556514231 /nfs/dbraw/zinc/51/42/31/556514231.db2.gz WDBCPLITLOJEJM-SFHVURJKSA-N -1 0 433.580 3.293 50 0 IGAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000013566834 556520350 /nfs/dbraw/zinc/52/03/50/556520350.db2.gz KKOSOTDOLRKAID-LLVKDONJSA-N -1 0 445.360 3.220 50 0 IGAARM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000013575281 556525308 /nfs/dbraw/zinc/52/53/08/556525308.db2.gz JURISFMHIZMUGG-VIZOYTHASA-N -1 0 432.841 3.419 50 0 IGAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1OC ZINC000016227369 556593139 /nfs/dbraw/zinc/59/31/39/556593139.db2.gz GJTGUAOQMOMTGS-UHFFFAOYSA-N -1 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ZINC000032836331 556418242 /nfs/dbraw/zinc/41/82/42/556418242.db2.gz HPVQICNUBMGMAO-UHFFFAOYSA-N -1 0 432.408 3.024 50 0 IGAARM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1C(N)=O ZINC000028242606 556446663 /nfs/dbraw/zinc/44/66/63/556446663.db2.gz UGKDAWQZGWJFTC-UHFFFAOYSA-N -1 0 445.451 3.337 50 0 IGAARM Cc1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)ccc1Br ZINC000013090243 556456246 /nfs/dbraw/zinc/45/62/46/556456246.db2.gz JTCDOESISGASBT-UHFFFAOYSA-N -1 0 428.260 3.028 50 0 IGAARM CCn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccccc1 ZINC000013256435 556501104 /nfs/dbraw/zinc/50/11/04/556501104.db2.gz LRSWMJYVUIDJPF-IBGZPJMESA-N -1 0 449.536 3.351 50 0 IGAARM Cc1ccc(-c2nnc(SCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])n2C)cc1 ZINC000013410377 556505157 /nfs/dbraw/zinc/50/51/57/556505157.db2.gz LDQKGQRYGUBILB-LJQANCHMSA-N -1 0 449.536 3.176 50 0 IGAARM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000013593380 556531225 /nfs/dbraw/zinc/53/12/25/556531225.db2.gz CXNXXLCCIMNBAQ-ZFWWWQNUSA-N -1 0 428.938 3.325 50 0 IGAARM O=C1[N-]C(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1c1ccc(F)cc1 ZINC000016448191 556608453 /nfs/dbraw/zinc/60/84/53/556608453.db2.gz HBOOIWXJIKCTHZ-UHFFFAOYSA-N -1 0 432.455 3.451 50 0 IGAARM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001773413 556757740 /nfs/dbraw/zinc/75/77/40/556757740.db2.gz IJUWHZYWBJEGKH-UHFFFAOYSA-N -1 0 426.498 3.384 50 0 IGAARM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1C ZINC000016527195 556841092 /nfs/dbraw/zinc/84/10/92/556841092.db2.gz UUKIHCDDHMYJHB-UHFFFAOYSA-N -1 0 425.510 3.194 50 0 IGAARM Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1C ZINC000020355864 557009999 /nfs/dbraw/zinc/00/99/99/557009999.db2.gz MNAXUWPNTZAIQW-UHFFFAOYSA-N -1 0 443.550 3.259 50 0 IGAARM Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)[n-]2)c1 ZINC000020355865 557010039 /nfs/dbraw/zinc/01/00/39/557010039.db2.gz OVHKQGGBPWRGER-UHFFFAOYSA-N -1 0 443.550 3.259 50 0 IGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000001053454 557118328 /nfs/dbraw/zinc/11/83/28/557118328.db2.gz STTHZJUMLUCUNG-RTBURBONSA-N -1 0 426.494 3.044 50 0 IGAARM COc1cccc(CN(C)C(=O)CSc2nnc(-c3ccc(F)c(F)c3)c(=O)[n-]2)c1 ZINC000024747144 557161729 /nfs/dbraw/zinc/16/17/29/557161729.db2.gz BSYFEORWEBVBTD-UHFFFAOYSA-N -1 0 432.452 3.282 50 0 IGAARM O=S(=O)([N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc2c(c1)CCCC2 ZINC000206847340 557166332 /nfs/dbraw/zinc/16/63/32/557166332.db2.gz DZXUNBJELAZGJA-LJQANCHMSA-N -1 0 425.510 3.403 50 0 IGAARM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000000790564 557193802 /nfs/dbraw/zinc/19/38/02/557193802.db2.gz QJPBEYAQFWMEQT-UHFFFAOYSA-N -1 0 442.497 3.164 50 0 IGAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)c(Cl)c4)c=3c2=O)c1 ZINC000101083543 557231012 /nfs/dbraw/zinc/23/10/12/557231012.db2.gz SVOLDALWQGNDLW-QZTJIDSGSA-N -1 0 429.839 3.028 50 0 IGAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000101083654 557231575 /nfs/dbraw/zinc/23/15/75/557231575.db2.gz KFPRJCBMNLYHQF-OALUTQOASA-N -1 0 425.876 3.197 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4Cl)c=3c2=O)cc1 ZINC000100033449 557238405 /nfs/dbraw/zinc/23/84/05/557238405.db2.gz YZWQRSJXDQGKSS-SJORKVTESA-N -1 0 432.267 3.234 50 0 IGAARM CCCc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000100134635 557241947 /nfs/dbraw/zinc/24/19/47/557241947.db2.gz QXVRWQOMXCKKLI-INIZCTEOSA-N -1 0 429.480 3.449 50 0 IGAARM Cc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c=2c1=O ZINC000018162412 557244838 /nfs/dbraw/zinc/24/48/38/557244838.db2.gz OWXPNMZNYWAEHK-IRXDYDNUSA-N -1 0 432.267 3.234 50 0 IGAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000101166334 557258052 /nfs/dbraw/zinc/25/80/52/557258052.db2.gz IICOIACUYFNRES-LEWJYISDSA-N -1 0 435.484 3.141 50 0 IGAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000072271763 557264052 /nfs/dbraw/zinc/26/40/52/557264052.db2.gz KVTCBRWRIFUDCJ-HNNXBMFYSA-N -1 0 445.349 3.014 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(Cl)cc4)no3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101270979 557268944 /nfs/dbraw/zinc/26/89/44/557268944.db2.gz VDNAEUFUBRBKJS-HOTGVXAUSA-N -1 0 426.795 3.023 50 0 IGAARM COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccc(I)cc2C)cc1 ZINC000101354908 557275396 /nfs/dbraw/zinc/27/53/96/557275396.db2.gz IUMZNPBCQWMKHG-UHFFFAOYSA-N -1 0 437.233 3.389 50 0 IGAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccc(C(C)C)cc1 ZINC000101456184 557286609 /nfs/dbraw/zinc/28/66/09/557286609.db2.gz SJNQWIFPFFQUHV-NRFANRHFSA-N -1 0 446.507 3.112 50 0 IGAARM COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000101628065 557292997 /nfs/dbraw/zinc/29/29/97/557292997.db2.gz QUZVLTNATLGKAK-OALUTQOASA-N -1 0 442.537 3.480 50 0 IGAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc4c(c3)OCO4)c([O-])c3cccnc32)cc1 ZINC000101723423 557295142 /nfs/dbraw/zinc/29/51/42/557295142.db2.gz LVZSPPNFVKUKDG-UHFFFAOYSA-N -1 0 431.404 3.081 50 0 IGAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(F)cc1F ZINC000101835686 557302134 /nfs/dbraw/zinc/30/21/34/557302134.db2.gz BUYAXHMQLLSWOC-QGZVFWFLSA-N -1 0 426.379 3.406 50 0 IGAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)c1 ZINC000101892814 557305868 /nfs/dbraw/zinc/30/58/68/557305868.db2.gz KSQMDVSBKOFKOX-ZWKOTPCHSA-N -1 0 434.481 3.260 50 0 IGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101893198 557306167 /nfs/dbraw/zinc/30/61/67/557306167.db2.gz HYGYVIUSUQRHMJ-SJORKVTESA-N -1 0 440.822 3.331 50 0 IGAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(Cl)cccc3Cl)c(=O)c1=2)Nc1cccc(F)c1 ZINC000102001483 557311608 /nfs/dbraw/zinc/31/16/08/557311608.db2.gz KQUXICPCRYXSKF-ZBFHGGJFSA-N -1 0 436.230 3.064 50 0 IGAARM Cc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)n1 ZINC000102288418 557317444 /nfs/dbraw/zinc/31/74/44/557317444.db2.gz NPPAFBIRIPIJCB-ROUUACIJSA-N -1 0 427.526 3.174 50 0 IGAARM O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000013261360 562985616 /nfs/dbraw/zinc/98/56/16/562985616.db2.gz GYILVHHTCYNIOS-UHFFFAOYSA-N -1 0 436.489 3.384 50 0 in-vivo IGAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@@]34C(=O)[O-])[C@]1(Cl)CC[C@H]2C1=CC(=O)OC1 ZINC000257348122 568731088 /nfs/dbraw/zinc/73/10/88/568731088.db2.gz BNZWEZZSPRSQEB-JDIHSLBTSA-N -1 0 438.948 3.030 50 0 IGAARM COC(=O)c1c(SCC(=O)Nc2ccc(OC)cc2OC)[n-]c2ccccc2c1=O ZINC000015731485 568814827 /nfs/dbraw/zinc/81/48/27/568814827.db2.gz SYSGHGONWKNTHS-UHFFFAOYSA-N -1 0 428.466 3.063 50 0 IGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2)n1 ZINC000001794659 568908218 /nfs/dbraw/zinc/90/82/18/568908218.db2.gz WBPWKSBDYDURBX-UHFFFAOYSA-N -1 0 425.495 3.448 50 0 IGAARM Cc1cc(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000238924061 568910253 /nfs/dbraw/zinc/91/02/53/568910253.db2.gz QRKDAQJBVGQZCO-BZUAXINKSA-N -1 0 427.497 3.365 50 0 IGAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3OC)c(C(=O)[O-])c2)C1 ZINC000064589063 568934911 /nfs/dbraw/zinc/93/49/11/568934911.db2.gz KMIIXLPYDDQGBM-OAHLLOKOSA-N -1 0 426.469 3.425 50 0 IGAARM CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[P@@](=O)([O-])O ZINC000027023863 568939278 /nfs/dbraw/zinc/93/92/78/568939278.db2.gz YQRZKMTZQDZHMU-PMACEKPBSA-N -1 0 448.456 3.190 50 0 IGAARM Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1C(=O)[O-] ZINC000036358660 569085241 /nfs/dbraw/zinc/08/52/41/569085241.db2.gz OUGADKCOGPYJKL-OAQYLSRUSA-N -1 0 441.915 3.473 50 0 IGAARM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004332 569087016 /nfs/dbraw/zinc/08/70/16/569087016.db2.gz FJTFMBLUIZTBTK-UHFFFAOYSA-N -1 0 439.540 3.119 50 0 IGAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1 ZINC000065097405 569103913 /nfs/dbraw/zinc/10/39/13/569103913.db2.gz QWNROZUZVPOEBO-UHFFFAOYSA-N -1 0 432.527 3.452 50 0 IGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1 ZINC000065098793 569104173 /nfs/dbraw/zinc/10/41/73/569104173.db2.gz OFWWUUBILOAQNQ-UHFFFAOYSA-N -1 0 448.526 3.234 50 0 IGAARM COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c13)CCC(C)(C)O2 ZINC000036569613 569118328 /nfs/dbraw/zinc/11/83/28/569118328.db2.gz UCUPRFHGGKYHEW-INIZCTEOSA-N -1 0 445.512 3.372 50 0 IGAARM O=C(NCc1cccc(C(F)(F)F)c1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249882 569122046 /nfs/dbraw/zinc/12/20/46/569122046.db2.gz PKQWNMPQQAFKBM-UHFFFAOYSA-N -1 0 442.397 3.427 50 0 IGAARM COc1ccc([C@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000170614214 569146259 /nfs/dbraw/zinc/14/62/59/569146259.db2.gz RMGRFFPAXFVZTJ-LJQANCHMSA-N -1 0 442.468 3.264 50 0 IGAARM COc1ccc(CCNC(=O)CCc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000016848336 569164281 /nfs/dbraw/zinc/16/42/81/569164281.db2.gz QQVZKYHEIMDSAZ-UHFFFAOYSA-N -1 0 445.566 3.244 50 0 IGAARM CCOC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000017096873 569173185 /nfs/dbraw/zinc/17/31/85/569173185.db2.gz UGSHXEAWXPCDIS-UHFFFAOYSA-N -1 0 430.482 3.397 50 0 IGAARM O=C([O-])C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000017097792 569173920 /nfs/dbraw/zinc/17/39/20/569173920.db2.gz VUPILHQVPTTXFG-MDZDMXLPSA-N -1 0 432.226 3.068 50 0 IGAARM CC[C@H](NC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)C(=O)[O-] ZINC000002116748 569182479 /nfs/dbraw/zinc/18/24/79/569182479.db2.gz IYUVENHFEPDJIE-SFHVURJKSA-N -1 0 425.437 3.135 50 0 IGAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(C)c12 ZINC000002118171 569182719 /nfs/dbraw/zinc/18/27/19/569182719.db2.gz HWOIOGRALMIXSA-IBGZPJMESA-N -1 0 448.475 3.254 50 0 IGAARM CCOC(=O)[C@]([N-]c1ccccc1OC)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F 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CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nn1 ZINC000009650637 569556587 /nfs/dbraw/zinc/55/65/87/569556587.db2.gz JYHJFBQIULKANW-UHFFFAOYSA-N -1 0 443.959 3.453 50 0 IGAARM Cc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000009673761 569558973 /nfs/dbraw/zinc/55/89/73/569558973.db2.gz NEYXVKGUMBVJAB-FQEVSTJZSA-N -1 0 443.525 3.299 50 0 IGAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000009674578 569559169 /nfs/dbraw/zinc/55/91/69/569559169.db2.gz FZGSNPCKRZIBFA-IRXDYDNUSA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000009748429 569565951 /nfs/dbraw/zinc/56/59/51/569565951.db2.gz VQXYRBRLTCWUPU-RTBURBONSA-N -1 0 425.876 3.197 50 0 IGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1 ZINC000009835919 569570684 /nfs/dbraw/zinc/57/06/84/569570684.db2.gz OGQJSDUMFACIJX-RTBURBONSA-N -1 0 425.876 3.143 50 0 IGAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000009836027 569570754 /nfs/dbraw/zinc/57/07/54/569570754.db2.gz IICOIACUYFNRES-NHCUHLMSSA-N -1 0 435.484 3.141 50 0 IGAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000009126625 132305318 /nfs/dbraw/zinc/30/53/18/132305318.db2.gz YRLSNAGBPISQHD-UHFFFAOYSA-N -1 0 426.498 3.192 50 0 IGAARM CC(C)[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000012382005 519817820 /nfs/dbraw/zinc/81/78/20/519817820.db2.gz CTMHBXCVVJCRGJ-KMPOOHAWSA-N -1 0 435.274 3.038 50 0 IGAARM CC(C)[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000012382001 519817891 /nfs/dbraw/zinc/81/78/91/519817891.db2.gz WKLNMKJQUZVROS-WQJNHMDYSA-N -1 0 445.313 3.445 50 0 IGAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000012881419 520627449 /nfs/dbraw/zinc/62/74/49/520627449.db2.gz WAXPCGVGHNBJHV-KNKQGSTJSA-N -1 0 449.532 3.328 50 0 IGAARM 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430.501 3.326 50 0 IGAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000001158704 555660502 /nfs/dbraw/zinc/66/05/02/555660502.db2.gz GOUMWKBNPQYUBE-UHFFFAOYSA-N -1 0 440.262 3.425 50 0 IGAARM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000001441637 555697596 /nfs/dbraw/zinc/69/75/96/555697596.db2.gz ZMHHVBOLMQTQOO-OAQYLSRUSA-N -1 0 439.493 3.164 50 0 IGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc2ccccc2oc1=O ZINC000001772183 555713726 /nfs/dbraw/zinc/71/37/26/555713726.db2.gz YBFSIDFCRZUEFP-UHFFFAOYSA-N -1 0 427.463 3.303 50 0 IGAARM O=C([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002244299 555761959 /nfs/dbraw/zinc/76/19/59/555761959.db2.gz WJQWIPAQNBOEBX-QHCPKHFHSA-N -1 0 444.487 3.337 50 0 IGAARM CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000003268076 555911286 /nfs/dbraw/zinc/91/12/86/555911286.db2.gz CVECLUBBOMGDHX-OAHLLOKOSA-N -1 0 440.315 3.048 50 0 IGAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(C(=O)c4ccncc4)cc3)c(Cl)cc21 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IGAARM COc1cc2c(cc1OC)[C@H](c1c([O-])nc3scc(-c4ccccc4)n3c1=O)NCC2 ZINC000020113838 569334587 /nfs/dbraw/zinc/33/45/87/569334587.db2.gz QMJOIWAKHSBWAA-HXUWFJFHSA-N -1 0 435.505 3.381 50 0 IGAARM C[C@](NC(=O)CCCNC(=O)c1cccs1)(C(=O)[O-])c1cccc(Br)c1 ZINC000095463940 569370393 /nfs/dbraw/zinc/37/03/93/569370393.db2.gz UHIBDIBELJHDSN-GOSISDBHSA-N -1 0 439.331 3.137 50 0 IGAARM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000095463948 569370405 /nfs/dbraw/zinc/37/04/05/569370405.db2.gz OIXOQZVGMOOIKN-LJQANCHMSA-N -1 0 428.510 3.468 50 0 IGAARM CC(C)(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@]23C(=O)[O-])cc1 ZINC000095469548 569371561 /nfs/dbraw/zinc/37/15/61/569371561.db2.gz VEHLINLPWYJONV-DEOSSOPVSA-N -1 0 430.464 3.148 50 0 IGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(OC)c(OC)c3)C2)c1 ZINC000095532126 569374676 /nfs/dbraw/zinc/37/46/76/569374676.db2.gz IKMVMALXWKCEDP-IBGZPJMESA-N -1 0 442.468 3.264 50 0 IGAARM COc1ccc(-c2noc(CCC(=O)NCc3ccc(OCCCC(=O)[O-])cc3)n2)cc1 ZINC000095970713 569377338 /nfs/dbraw/zinc/37/73/38/569377338.db2.gz SWPIPDPDZDFIDF-UHFFFAOYSA-N -1 0 439.468 3.238 50 0 IGAARM COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(-c3ccc(C(=O)[O-])cc3)o2)o1 ZINC000096114126 569382651 /nfs/dbraw/zinc/38/26/51/569382651.db2.gz BRFAMYSMDQWQQD-OAHLLOKOSA-N -1 0 428.393 3.145 50 0 IGAARM O=C1C[C@H](c2cnn3cccnc23)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096113851 569382785 /nfs/dbraw/zinc/38/27/85/569382785.db2.gz JRAXLCYZKCFZPI-CQSZACIVSA-N -1 0 441.399 3.355 50 0 IGAARM CCOc1cccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000096361301 569397697 /nfs/dbraw/zinc/39/76/97/569397697.db2.gz RCMIFOIQEKPMTK-UHFFFAOYSA-N -1 0 434.905 3.193 50 0 IGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccccc2Cl)cc1 ZINC000096361280 569397785 /nfs/dbraw/zinc/39/77/85/569397785.db2.gz VINNNALYMTYZCL-UHFFFAOYSA-N -1 0 434.905 3.193 50 0 IGAARM O=C([O-])c1cccc(S(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000096592569 569401878 /nfs/dbraw/zinc/40/18/78/569401878.db2.gz BFYSQBKXCXJVIH-UHFFFAOYSA-N -1 0 426.406 3.378 50 0 IGAARM CC(C)OCCCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974376 569433546 /nfs/dbraw/zinc/43/35/46/569433546.db2.gz ORBJUMKQQUUBEE-UHFFFAOYSA-N -1 0 435.546 3.279 50 0 IGAARM O=C(NCCc1c[nH]cn1)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1 ZINC000003051722 569439258 /nfs/dbraw/zinc/43/92/58/569439258.db2.gz OHLJPZVVVOPQEM-UHFFFAOYSA-N -1 0 439.928 3.456 50 0 IGAARM O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003051772 569439309 /nfs/dbraw/zinc/43/93/09/569439309.db2.gz GILPUPLYTPVAEF-UHFFFAOYSA-N -1 0 445.500 3.392 50 0 IGAARM CCN(CC)S(=O)(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCN21 ZINC000008721338 569471687 /nfs/dbraw/zinc/47/16/87/569471687.db2.gz VTMIDIVHTXIEOU-NRFANRHFSA-N -1 0 429.542 3.362 50 0 IGAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3)C(=O)[O-] ZINC000008765346 569474718 /nfs/dbraw/zinc/47/47/18/569474718.db2.gz QQTUUZPXDXTEBZ-ODXCJYRJSA-N -1 0 445.512 3.372 50 0 IGAARM CCN1c2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000009170420 569509311 /nfs/dbraw/zinc/50/93/11/569509311.db2.gz KQKVVRMJBRXURI-UHFFFAOYSA-N -1 0 434.514 3.276 50 0 IGAARM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)s1 ZINC000009274170 569518120 /nfs/dbraw/zinc/51/81/20/569518120.db2.gz FIJWTMMBZKXEDN-UHFFFAOYSA-N -1 0 433.898 3.394 50 0 IGAARM O=C([O-])c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000009307280 569521369 /nfs/dbraw/zinc/52/13/69/569521369.db2.gz RGYDKIXXTXIIGP-VSKRKVRLSA-N -1 0 428.444 3.432 50 0 IGAARM Cc1ccccc1-n1c(SCc2nc(=O)c3sccc3[n-]2)nnc1N1CCOCC1 ZINC000009339149 569523707 /nfs/dbraw/zinc/52/37/07/569523707.db2.gz NBVUYYOFZMYJFW-UHFFFAOYSA-N -1 0 440.554 3.003 50 0 IGAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000009468084 569538559 /nfs/dbraw/zinc/53/85/59/569538559.db2.gz XMONOLUVSAXEHK-UHFFFAOYSA-N -1 0 448.298 3.494 50 0 IGAARM COc1ccc(N[C@@H](C)C(=O)NC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009515027 569543252 /nfs/dbraw/zinc/54/32/52/569543252.db2.gz YQEOPFFDUSVLJU-ZDUSSCGKSA-N -1 0 425.938 3.474 50 0 IGAARM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C ZINC000009546268 569546285 /nfs/dbraw/zinc/54/62/85/569546285.db2.gz QMTDFGMUJOBNDM-UHFFFAOYSA-N -1 0 448.526 3.318 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1C ZINC000009675295 569559255 /nfs/dbraw/zinc/55/92/55/569559255.db2.gz IQZZRLIBGGZUKG-RBUKOAKNSA-N -1 0 425.876 3.197 50 0 IGAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2cccc(-c3ccno3)c2)c(C)n1C ZINC000009684892 569560561 /nfs/dbraw/zinc/56/05/61/569560561.db2.gz ARGAAUIATQVLRP-UHFFFAOYSA-N -1 0 428.514 3.334 50 0 IGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009685044 569560636 /nfs/dbraw/zinc/56/06/36/569560636.db2.gz JKMDUSCBGQNBOL-UHFFFAOYSA-N -1 0 447.557 3.246 50 0 IGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000009836043 569570740 /nfs/dbraw/zinc/57/07/40/569570740.db2.gz DEWNFVLVPUKYAY-RTBURBONSA-N -1 0 425.876 3.395 50 0 IGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000009836042 569570746 /nfs/dbraw/zinc/57/07/46/569570746.db2.gz DEWNFVLVPUKYAY-RBUKOAKNSA-N -1 0 425.876 3.395 50 0 IGAARM COc1ccc([C@H](CC(=O)[O-])C(=O)Nc2ccc(I)cc2)cc1 ZINC000071405960 569576896 /nfs/dbraw/zinc/57/68/96/569576896.db2.gz RYNXGBNUTZIFLK-HNNXBMFYSA-N -1 0 425.222 3.497 50 0 IGAARM COc1ccccc1N1C(=O)[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O ZINC000008425756 132281677 /nfs/dbraw/zinc/28/16/77/132281677.db2.gz WUMYKXOGCIKKQN-UHFFFAOYSA-N -1 0 444.491 3.320 50 0 IGAARM CC(C)[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br)C(=O)[O-] ZINC000012382007 519817841 /nfs/dbraw/zinc/81/78/41/519817841.db2.gz WKEBIYDSARTDSE-KMPOOHAWSA-N -1 0 435.274 3.038 50 0 IGAARM CCOCCOc1ccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)cc1 ZINC000034763464 520038780 /nfs/dbraw/zinc/03/87/80/520038780.db2.gz ZUNMBTBDDFOQBB-KRWDZBQOSA-N -1 0 436.512 3.470 50 0 IGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)c(C)n1C ZINC000035480287 521391236 /nfs/dbraw/zinc/39/12/36/521391236.db2.gz SRKIHQTXXQDSNC-UHFFFAOYSA-N -1 0 430.910 3.290 50 0 IGAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)OC)c(Br)c1 ZINC000012521245 521529685 /nfs/dbraw/zinc/52/96/85/521529685.db2.gz VUMHXPVIKIVALF-UHFFFAOYSA-N -1 0 448.316 3.275 50 0 IGAARM CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022854420 522535539 /nfs/dbraw/zinc/53/55/39/522535539.db2.gz URIAFPUFFYHGIF-OAHLLOKOSA-N -1 0 425.480 3.414 50 0 IGAARM CCn1c2ccc(S(=O)(=O)C(F)(F)F)cc2nc1-c1ccc(OCC(=O)[O-])cc1 ZINC000012548252 523266494 /nfs/dbraw/zinc/26/64/94/523266494.db2.gz FGDAWZLYDHHIRV-UHFFFAOYSA-N -1 0 428.388 3.480 50 0 IGAARM COc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2c(C)c(-c3ccc(C)cc3)nn21 ZINC000035684978 523767526 /nfs/dbraw/zinc/76/75/26/523767526.db2.gz QGAHIONNCRUBDZ-KRWDZBQOSA-N -1 0 434.452 3.396 50 0 IGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3sc(NC(C)=O)nc3c(OC)c2)c1 ZINC000033007931 524879952 /nfs/dbraw/zinc/87/99/52/524879952.db2.gz IEMBGOGPGISVRC-UHFFFAOYSA-N -1 0 437.499 3.081 50 0 IGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000012420441 525174034 /nfs/dbraw/zinc/17/40/34/525174034.db2.gz XCLTZICOXAJSQW-HXUWFJFHSA-N -1 0 438.480 3.184 50 0 IGAARM COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1Br ZINC000069530082 525314711 /nfs/dbraw/zinc/31/47/11/525314711.db2.gz KDNVZVSBXWKJTO-VIFPVBQESA-N -1 0 434.315 3.474 50 0 IGAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(CCc2ccccn2)CC1 ZINC000020745264 526315808 /nfs/dbraw/zinc/31/58/08/526315808.db2.gz VCUCQKWFINMZJX-FQEVSTJZSA-N -1 0 443.345 3.311 50 0 IGAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)c1 ZINC000013361242 526370524 /nfs/dbraw/zinc/37/05/24/526370524.db2.gz PFNKVGXJAWFBSH-UHFFFAOYSA-N -1 0 448.678 3.373 50 0 IGAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1C ZINC000035479801 526448423 /nfs/dbraw/zinc/44/84/23/526448423.db2.gz NWDKBZOPUQLXGI-UHFFFAOYSA-N -1 0 441.556 3.085 50 0 IGAARM O=C(c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F)N1CCOCC1 ZINC000012650451 526930187 /nfs/dbraw/zinc/93/01/87/526930187.db2.gz OHEYAJMJQCLOPK-UHFFFAOYSA-N -1 0 440.399 3.123 50 0 IGAARM Cc1nc2nc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)nn2c(C)c1CC(=O)[O-] ZINC000012817489 527200913 /nfs/dbraw/zinc/20/09/13/527200913.db2.gz YXBJDDICONFRTO-LJQANCHMSA-N -1 0 439.541 3.214 50 0 IGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccnc1N1CCCC1 ZINC000012532543 527257833 /nfs/dbraw/zinc/25/78/33/527257833.db2.gz ZSHBNDATRQJNHO-UHFFFAOYSA-N -1 0 429.527 3.191 50 0 IGAARM O=C([O-])CCCCCN1C(=O)C[C@H](SCC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000020534108 527579252 /nfs/dbraw/zinc/57/92/52/527579252.db2.gz MLDFFBXUUNUCOJ-SFHVURJKSA-N -1 0 428.510 3.284 50 0 IGAARM CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 ZINC000001425999 555695866 /nfs/dbraw/zinc/69/58/66/555695866.db2.gz FWYGNEJRFBVYBM-UHFFFAOYSA-N -1 0 441.527 3.203 50 0 IGAARM CC(C)[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000002116067 555744885 /nfs/dbraw/zinc/74/48/85/555744885.db2.gz NKAGYMZRPRVCBQ-IVOILVROSA-N -1 0 435.274 3.038 50 0 IGAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1nc2c(s1)CCCC2 ZINC000003004924 555878459 /nfs/dbraw/zinc/87/84/59/555878459.db2.gz CPKIPOZPHWXUSG-UHFFFAOYSA-N -1 0 428.539 3.132 50 0 IGAARM COc1cc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)ccc1OCC1CCC1 ZINC000034767371 555907136 /nfs/dbraw/zinc/90/71/36/555907136.db2.gz AVPRNPZYNKEGRD-UHFFFAOYSA-N -1 0 449.511 3.076 50 0 IGAARM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)cc1 ZINC000002738170 556132483 /nfs/dbraw/zinc/13/24/83/556132483.db2.gz XXQHSMBQFLQODW-UHFFFAOYSA-N -1 0 442.497 3.327 50 0 IGAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)c(C(F)(F)F)c1Cl)CCC3 ZINC000002776848 556140740 /nfs/dbraw/zinc/14/07/40/556140740.db2.gz FHHCVNVBBUNDJP-UHFFFAOYSA-N -1 0 431.827 3.045 50 0 IGAARM O=C(CCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCCc1c[nH]c2ccccc12 ZINC000002975353 556153127 /nfs/dbraw/zinc/15/31/27/556153127.db2.gz VNRQVEAEMMCVKH-UHFFFAOYSA-N -1 0 436.493 3.018 50 0 IGAARM O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000008741790 556206955 /nfs/dbraw/zinc/20/69/55/556206955.db2.gz PNXMQEFBAFLEDF-WOSRLPQWSA-N -1 0 433.308 3.204 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1Cl ZINC000009748331 556308288 /nfs/dbraw/zinc/30/82/88/556308288.db2.gz SMDVEBCKRXXUSW-SJORKVTESA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1Cl ZINC000009748308 556308302 /nfs/dbraw/zinc/30/83/02/556308302.db2.gz JCGRBLDRRFWGQQ-DLBZAZTESA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)c1 ZINC000010433713 556334646 /nfs/dbraw/zinc/33/46/46/556334646.db2.gz RIMLFWYEDGVYRB-UHFFFAOYSA-N -1 0 443.550 3.259 50 0 IGAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)NCCC1=CCCCC1 ZINC000032836357 556418208 /nfs/dbraw/zinc/41/82/08/556418208.db2.gz HCBBTRSQZVNJNF-UHFFFAOYSA-N -1 0 428.514 3.114 50 0 IGAARM CCCc1nnc(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)n1CC(=O)[O-] ZINC000012978177 556423153 /nfs/dbraw/zinc/42/31/53/556423153.db2.gz QCOBCBDMIHNVAD-UHFFFAOYSA-N -1 0 442.541 3.228 50 0 IGAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000060060257 556459085 /nfs/dbraw/zinc/45/90/85/556459085.db2.gz DWERIVRHLDASPK-UHFFFAOYSA-N -1 0 427.408 3.271 50 0 IGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccccc2F)o1 ZINC000013394209 556504071 /nfs/dbraw/zinc/50/40/71/556504071.db2.gz BGMFARFNUFDJAI-QGZVFWFLSA-N -1 0 440.456 3.261 50 0 IGAARM Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1C ZINC000013396798 556504097 /nfs/dbraw/zinc/50/40/97/556504097.db2.gz IYPJNMASRAVZGX-IBGZPJMESA-N -1 0 449.536 3.176 50 0 IGAARM COc1ccc(OC)c([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000013533207 556512634 /nfs/dbraw/zinc/51/26/34/556512634.db2.gz LSSWKNBHPHCVBE-SFHVURJKSA-N -1 0 442.468 3.264 50 0 IGAARM COc1c(F)c(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3ccnc3)cc2)c(F)c1F ZINC000032718990 556518569 /nfs/dbraw/zinc/51/85/69/556518569.db2.gz XWKILOXUBOCDDG-JTQLQIEISA-N -1 0 429.395 3.477 50 0 IGAARM O=C(NCCc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000015378994 556523607 /nfs/dbraw/zinc/52/36/07/556523607.db2.gz NLLDMGQTPHCEOJ-UHFFFAOYSA-N -1 0 444.534 3.293 50 0 IGAARM O=C1N[C@H](c2ccccc2C(F)(F)F)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000015634766 556539378 /nfs/dbraw/zinc/53/93/78/556539378.db2.gz MNONPZILFOPQQB-IOASZLSFSA-N -1 0 433.308 3.204 50 0 IGAARM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000016025033 556576572 /nfs/dbraw/zinc/57/65/72/556576572.db2.gz NSFYZVOUYZRILQ-ZDUSSCGKSA-N -1 0 432.889 3.337 50 0 IGAARM Cc1cc([N-]S(=O)(=O)C(F)(F)F)ccc1C(=O)NCCN1CCc2sccc2C1 ZINC000072310097 556578581 /nfs/dbraw/zinc/57/85/81/556578581.db2.gz GHDAPALWKCWDPR-UHFFFAOYSA-N -1 0 447.504 3.106 50 0 IGAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016100049 556582989 /nfs/dbraw/zinc/58/29/89/556582989.db2.gz JDZKUOHIUNBDRP-UHFFFAOYSA-N -1 0 445.360 3.034 50 0 IGAARM CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000033630472 556615512 /nfs/dbraw/zinc/61/55/12/556615512.db2.gz PASIVLRZTPAYNA-UHFFFAOYSA-N -1 0 442.497 3.315 50 0 IGAARM CCOC(=O)N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CCCC4)ccc3n2)CC1 ZINC000033010442 556658123 /nfs/dbraw/zinc/65/81/23/556658123.db2.gz HVXFENFDOADRSC-UHFFFAOYSA-N -1 0 440.500 3.340 50 0 IGAARM COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017098844 556663773 /nfs/dbraw/zinc/66/37/73/556663773.db2.gz YDSYHZIGQNPHIS-QWRGUYRKSA-N -1 0 434.495 3.454 50 0 IGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CC3)c1 ZINC000013696561 556711991 /nfs/dbraw/zinc/71/19/91/556711991.db2.gz FIXRFCABIWJRRU-UHFFFAOYSA-N -1 0 428.466 3.301 50 0 IGAARM CCCCOCCN(c1cccc(Br)c1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000079047666 556738090 /nfs/dbraw/zinc/73/80/90/556738090.db2.gz LYRALXDLSTYGCV-UHFFFAOYSA-N -1 0 445.335 3.487 50 0 IGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000019631862 556832775 /nfs/dbraw/zinc/83/27/75/556832775.db2.gz KWJCUVXJKMVUQY-LEWJYISDSA-N -1 0 440.521 3.039 50 0 IGAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cccc(C)c2)C1 ZINC000033253880 556894277 /nfs/dbraw/zinc/89/42/77/556894277.db2.gz PSGLNNLOYLPLCG-QGZVFWFLSA-N -1 0 446.525 3.274 50 0 IGAARM O=C(c1ccc2[nH]cnc2c1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097138231 556991682 /nfs/dbraw/zinc/99/16/82/556991682.db2.gz ONYJDLUSEMLJIC-UHFFFAOYSA-N -1 0 444.882 3.418 50 0 IGAARM Cc1nc2sc([C@@H](c3cccs3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000023158289 557032662 /nfs/dbraw/zinc/03/26/62/557032662.db2.gz HTOVIECVYFLKKU-OAHLLOKOSA-N -1 0 429.527 3.007 50 0 IGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2c(Cl)c(C)nn2C)cc1 ZINC000000696097 557137372 /nfs/dbraw/zinc/13/73/72/557137372.db2.gz QMOOBLMLNRDTQE-UHFFFAOYSA-N -1 0 434.905 3.444 50 0 IGAARM COc1ccc2nc(-c3ccc(OC)c([N-]S(=O)(=O)c4cc(F)ccc4F)c3)cn2n1 ZINC000011693558 557232575 /nfs/dbraw/zinc/23/25/75/557232575.db2.gz YUJVWOHVTIRFGY-UHFFFAOYSA-N -1 0 446.435 3.493 50 0 IGAARM COc1ccc(N2C(=O)C[C@@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000018085229 557235983 /nfs/dbraw/zinc/23/59/83/557235983.db2.gz NUKUXNPYFKXAAF-HNNXBMFYSA-N -1 0 434.477 3.139 50 0 IGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1 ZINC000101168446 557258648 /nfs/dbraw/zinc/25/86/48/557258648.db2.gz TVDBKRLARJXULO-OALUTQOASA-N -1 0 427.411 3.020 50 0 IGAARM CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613701 557265973 /nfs/dbraw/zinc/26/59/73/557265973.db2.gz MTEDPTBCPDQRNN-UHFFFAOYSA-N -1 0 444.491 3.090 50 0 aggregator IGAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000101387438 557282430 /nfs/dbraw/zinc/28/24/30/557282430.db2.gz PPLQSSBQKQOGHD-OALUTQOASA-N -1 0 425.876 3.395 50 0 IGAARM COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000101628063 557292944 /nfs/dbraw/zinc/29/29/44/557292944.db2.gz QUZVLTNATLGKAK-KDURUIRLSA-N -1 0 442.537 3.480 50 0 IGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)cc1OC ZINC000101836170 557302694 /nfs/dbraw/zinc/30/26/94/557302694.db2.gz NLVCJBLNWGTEJR-KRWDZBQOSA-N -1 0 438.415 3.275 50 0 IGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101893189 557306177 /nfs/dbraw/zinc/30/61/77/557306177.db2.gz HYGYVIUSUQRHMJ-DLBZAZTESA-N -1 0 440.822 3.331 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)no4)c=3c2=O)cc1F ZINC000101893356 557306213 /nfs/dbraw/zinc/30/62/13/557306213.db2.gz RSGIAAHEFLRMDL-SJORKVTESA-N -1 0 440.822 3.331 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4Cl)no3)c=2c(=O)n1-c1cccc(F)c1 ZINC000101893626 557306380 /nfs/dbraw/zinc/30/63/80/557306380.db2.gz CUHQCEHUMXJEGL-CVEARBPZSA-N -1 0 426.795 3.023 50 0 IGAARM Cc1ccc(S(=O)(=O)CC(=O)C=C([O-])C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000104273506 557323635 /nfs/dbraw/zinc/32/36/35/557323635.db2.gz RMWLJMONOVSILQ-UHFFFAOYSA-N -1 0 428.293 3.243 50 0 IGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1 ZINC000101261968 557456073 /nfs/dbraw/zinc/45/60/73/557456073.db2.gz YKFMMEAKBXRHDX-ROUUACIJSA-N -1 0 436.859 3.446 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4cccc(Cl)c4)no3)c=2c(=O)n1-c1cccc(F)c1 ZINC000101272563 557456182 /nfs/dbraw/zinc/45/61/82/557456182.db2.gz SOLYNMAAEJSCKJ-HOTGVXAUSA-N -1 0 426.795 3.023 50 0 IGAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2COc3ccc(Br)cc32)c(F)c1 ZINC000225393619 557718099 /nfs/dbraw/zinc/71/80/99/557718099.db2.gz YTHYVGHAAGFQID-CQSZACIVSA-N -1 0 428.279 3.019 50 0 IGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000002187867 562926127 /nfs/dbraw/zinc/92/61/27/562926127.db2.gz QBGIHOUIQZNXJX-PHCAOYFPSA-N -1 0 432.451 3.409 50 0 IGAARM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1c(F)cc(F)cc1Br ZINC000002642855 562929051 /nfs/dbraw/zinc/92/90/51/562929051.db2.gz GWSCKCWKNYGLIR-UHFFFAOYSA-N -1 0 433.274 3.365 50 0 IGAARM CCC[C@@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000008877349 562965554 /nfs/dbraw/zinc/96/55/54/562965554.db2.gz ZUAVZPBNZGGECR-OAHLLOKOSA-N -1 0 431.485 3.262 50 0 IGAARM Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1Cl ZINC000000942842 568641907 /nfs/dbraw/zinc/64/19/07/568641907.db2.gz CSYDNSAMJZMXNK-UHFFFAOYSA-N -1 0 432.889 3.257 50 0 IGAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12 ZINC000000945246 568643399 /nfs/dbraw/zinc/64/33/99/568643399.db2.gz NHPPCDZCRMDZNC-XOBRGWDASA-N -1 0 434.448 3.162 50 0 IGAARM COC(=O)[C@@]([N-]c1nc2ccc(OC(F)(F)F)cc2s1)(NC(C)=O)C(F)(F)F ZINC000003622331 568751520 /nfs/dbraw/zinc/75/15/20/568751520.db2.gz HRQBVDHBRPKBQB-LBPRGKRZSA-N -1 0 431.314 3.175 50 0 IGAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000003622998 568751730 /nfs/dbraw/zinc/75/17/30/568751730.db2.gz MJCCLXDEGPTZKL-HNNXBMFYSA-N -1 0 433.457 3.066 50 0 IGAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[C@H](Cc4ccc(O)c(OC)c4)O3)cc21 ZINC000001272757 568775848 /nfs/dbraw/zinc/77/58/48/568775848.db2.gz DSMCJTWKXIAWTG-CQSZACIVSA-N -1 0 442.443 3.326 50 0 IGAARM CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(OC)cc1 ZINC000083309551 568779484 /nfs/dbraw/zinc/77/94/84/568779484.db2.gz CICDJZHTQSWWOA-KRWDZBQOSA-N -1 0 427.482 3.374 50 0 IGAARM NC(=O)c1c2c(sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)CCC2 ZINC000015822838 568840017 /nfs/dbraw/zinc/84/00/17/568840017.db2.gz XGQYOWRDCRTGDB-UHFFFAOYSA-N -1 0 441.534 3.389 50 0 IGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000016097414 568870299 /nfs/dbraw/zinc/87/02/99/568870299.db2.gz RILDWJOCFFDIQI-PMACEKPBSA-N -1 0 430.526 3.037 50 0 IGAARM O=C([O-])COc1ccccc1[C@@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000245311947 568914653 /nfs/dbraw/zinc/91/46/53/568914653.db2.gz QRDNEVXKPVQSKQ-ZRBLBEILSA-N -1 0 444.443 3.201 50 0 IGAARM Cc1ccccc1C(=O)Nc1ccc(N2CCCN(c3ncccn3)CC2)cc1C(=O)[O-] ZINC000064588832 568934890 /nfs/dbraw/zinc/93/48/90/568934890.db2.gz XXCFREQIEPGGSG-UHFFFAOYSA-N -1 0 431.496 3.452 50 0 IGAARM COc1ccccc1C(=O)Nc1ccc(N2CCCN(c3ncccn3)CC2)cc1C(=O)[O-] ZINC000064589085 568934909 /nfs/dbraw/zinc/93/49/09/568934909.db2.gz YFYBIGZSLCYMSM-UHFFFAOYSA-N -1 0 447.495 3.152 50 0 IGAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c2ccc(F)cc21 ZINC000036357654 569085110 /nfs/dbraw/zinc/08/51/10/569085110.db2.gz CSXXDYZOLJFLBM-HSZRJFAPSA-N -1 0 439.487 3.199 50 0 IGAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036358763 569085194 /nfs/dbraw/zinc/08/51/94/569085194.db2.gz HNSLJYDXBOHBBP-OAQYLSRUSA-N -1 0 441.915 3.473 50 0 IGAARM Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4cccc(C)c4)c(Cl)cc32)no1 ZINC000065022456 569088886 /nfs/dbraw/zinc/08/88/86/569088886.db2.gz MYVXSXCUIKNFNW-UHFFFAOYSA-N -1 0 448.888 3.066 50 0 IGAARM O=S(=O)([N-]c1ccn(Cc2cn3ccccc3n2)n1)c1ccc(Br)cc1 ZINC000065588213 569139958 /nfs/dbraw/zinc/13/99/58/569139958.db2.gz ZYIPMZYAIWDWET-UHFFFAOYSA-N -1 0 432.303 3.142 50 0 IGAARM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000170617767 569146881 /nfs/dbraw/zinc/14/68/81/569146881.db2.gz WPIPTEXZAUNMNP-NSHDSACASA-N -1 0 439.456 3.390 50 0 IGAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)NCCOc1cccc(C(F)(F)F)c1 ZINC000017043372 569171523 /nfs/dbraw/zinc/17/15/23/569171523.db2.gz JORKQFKYMJSWGH-UHFFFAOYSA-N -1 0 441.431 3.003 50 0 IGAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(C)c12 ZINC000002113916 569182218 /nfs/dbraw/zinc/18/22/18/569182218.db2.gz DHBXBLKVOMDAGQ-KRWDZBQOSA-N -1 0 443.883 3.426 50 0 IGAARM Cc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])ccc12 ZINC000002125704 569184039 /nfs/dbraw/zinc/18/40/39/569184039.db2.gz BYGSUJKTNCXVKN-SFHVURJKSA-N -1 0 441.505 3.291 50 0 IGAARM O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000002222001 569204626 /nfs/dbraw/zinc/20/46/26/569204626.db2.gz DJYPWRKMKRJCLK-UHFFFAOYSA-N -1 0 444.225 3.255 50 0 IGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccc(S(=O)(=O)NC(C)C)cc3s2)c1 ZINC000001917495 569211126 /nfs/dbraw/zinc/21/11/26/569211126.db2.gz BALTZZIZEUDBHE-UHFFFAOYSA-N -1 0 439.584 3.401 50 0 IGAARM Cc1nc(N2CCC([N-]S(=O)(=O)c3c(F)cccc3F)CC2)cc(C(F)(F)F)n1 ZINC000253471065 569282576 /nfs/dbraw/zinc/28/25/76/569282576.db2.gz AXYXZWRGGTZPBQ-UHFFFAOYSA-N -1 0 436.406 3.029 50 0 IGAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2)C1 ZINC000012992940 569305958 /nfs/dbraw/zinc/30/59/58/569305958.db2.gz HVWZDPPESPWJGL-IYBDPMFKSA-N -1 0 430.526 3.328 50 0 IGAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@H](c1ccc(Cl)cc1)NC(=S)N[C@H]2c1ccc(Cl)cc1 ZINC000020117174 569335240 /nfs/dbraw/zinc/33/52/40/569335240.db2.gz LUXLQPCDLCVITC-KBPBESRZSA-N -1 0 449.319 3.446 50 0 IGAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1ccc(Cl)cc1)NC(=S)N[C@@H]2c1ccc(Cl)cc1 ZINC000020117179 569335313 /nfs/dbraw/zinc/33/53/13/569335313.db2.gz LUXLQPCDLCVITC-ZIAGYGMSSA-N -1 0 449.319 3.446 50 0 IGAARM O=C([O-])C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1cccs1 ZINC000095348436 569361528 /nfs/dbraw/zinc/36/15/28/569361528.db2.gz PPQZWVZDXFILCZ-GOSISDBHSA-N -1 0 433.489 3.452 50 0 IGAARM Cc1c(C(=O)Nc2cccc(OCC(=O)[O-])c2)nnn1-c1cccc(Br)c1 ZINC000095425131 569365921 /nfs/dbraw/zinc/36/59/21/569365921.db2.gz DMFFEGJVSGMAPH-UHFFFAOYSA-N -1 0 431.246 3.054 50 0 IGAARM CCc1ccc(S(=O)(=O)[N-]c2nc3n(c2C(=O)c2ccc(OC)cc2)CCC3)cc1 ZINC000095944152 569375710 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ZINC000012583675 525280065 /nfs/dbraw/zinc/28/00/65/525280065.db2.gz NBMXQRVBBOLYGX-UHFFFAOYSA-N -1 0 448.497 3.282 50 0 IGAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(C)n1C ZINC000021030462 525567896 /nfs/dbraw/zinc/56/78/96/525567896.db2.gz YAIOHDPGLRBWQT-UHFFFAOYSA-N -1 0 447.557 3.086 50 0 IGAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)oc4C)c=3c2=O)c1 ZINC000020989025 526139644 /nfs/dbraw/zinc/13/96/44/526139644.db2.gz LAGRWZUTVDTRRH-WOJBJXKFSA-N -1 0 431.452 3.460 50 0 IGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000016097413 526270452 /nfs/dbraw/zinc/27/04/52/526270452.db2.gz RILDWJOCFFDIQI-VQTJNVASSA-N -1 0 430.526 3.037 50 0 IGAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000022758939 526394547 /nfs/dbraw/zinc/39/45/47/526394547.db2.gz UQZMZGOAMQYUGD-UHFFFAOYSA-N -1 0 430.461 3.310 50 0 IGAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000016474541 526806917 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429.420 3.095 50 0 IGAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 ZINC000001165225 555663604 /nfs/dbraw/zinc/66/36/04/555663604.db2.gz HRNSHIXDBQJQME-UHFFFAOYSA-N -1 0 436.489 3.384 50 0 IGAARM O=C([O-])COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000002849881 555838665 /nfs/dbraw/zinc/83/86/65/555838665.db2.gz XETSFKHENDYPEL-UHFFFAOYSA-N -1 0 430.416 3.199 50 0 IGAARM O=C([O-])CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1Br ZINC000002910667 555861967 /nfs/dbraw/zinc/86/19/67/555861967.db2.gz IKDJQLCHRSXIMG-OQLLNIDSSA-N -1 0 437.677 3.074 50 0 IGAARM O=C([O-])CCCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 ZINC000002957021 555866994 /nfs/dbraw/zinc/86/69/94/555866994.db2.gz WNMUKBSJFRXQQP-GHRIWEEISA-N -1 0 431.286 3.201 50 0 IGAARM O=C(CCc1nnc(-c2ccc3c(c2)OCO3)[n-]c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000034768024 555907508 /nfs/dbraw/zinc/90/75/08/555907508.db2.gz NKYNJUXTDIJZKE-UHFFFAOYSA-N -1 0 446.507 3.387 50 0 IGAARM CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000003268074 555911313 /nfs/dbraw/zinc/91/13/13/555911313.db2.gz CVECLUBBOMGDHX-HNNXBMFYSA-N -1 0 440.315 3.048 50 0 IGAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000003267366 555911367 /nfs/dbraw/zinc/91/13/67/555911367.db2.gz QLZUSWOYKLPEGM-LJQANCHMSA-N -1 0 427.478 3.462 50 0 IGAARM COc1cccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(=O)(=O)c2ccccc2)c1 ZINC000006161662 556078875 /nfs/dbraw/zinc/07/88/75/556078875.db2.gz IFSFSDZTHMRTSL-UHFFFAOYSA-N -1 0 440.477 3.227 50 0 IGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c1 ZINC000002804943 556143325 /nfs/dbraw/zinc/14/33/25/556143325.db2.gz KBJIQKLGCWUPGI-JTQLQIEISA-N -1 0 444.351 3.036 50 0 IGAARM CCCc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)s1 ZINC000012062584 556395866 /nfs/dbraw/zinc/39/58/66/556395866.db2.gz LAWMFIFLCPZHRL-UHFFFAOYSA-N -1 0 437.934 3.160 50 0 IGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCCC(C)C)cc1)c2=O ZINC000032959332 556546423 /nfs/dbraw/zinc/54/64/23/556546423.db2.gz DNXFGYQCSNEWEO-UHFFFAOYSA-N -1 0 439.537 3.296 50 0 IGAARM Cn1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)n1 ZINC000016261541 556594871 /nfs/dbraw/zinc/59/48/71/556594871.db2.gz NVUYDAXQNACLAY-UHFFFAOYSA-N -1 0 441.332 3.297 50 0 IGAARM CCC(=O)N1N/C(=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)C[C@@H]1c1cccs1 ZINC000017028757 556653512 /nfs/dbraw/zinc/65/35/12/556653512.db2.gz UTRVEFGFCYMZHU-CPZHOGDASA-N -1 0 444.900 3.127 50 0 IGAARM CC(C)Oc1ccc(C(=O)N[C@H](CCCCNC(=O)Cc2ccccc2)C(=O)[O-])cc1 ZINC000005274143 556762161 /nfs/dbraw/zinc/76/21/61/556762161.db2.gz YCGQAEUYZBUGHQ-OAQYLSRUSA-N -1 0 426.513 3.186 50 0 IGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000097940866 556811575 /nfs/dbraw/zinc/81/15/75/556811575.db2.gz RJMQJXSQSWOODQ-UHFFFAOYSA-N -1 0 432.477 3.462 50 0 IGAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000008790232 556847297 /nfs/dbraw/zinc/84/72/97/556847297.db2.gz WAXPCGVGHNBJHV-JQVVWYNYSA-N -1 0 449.532 3.328 50 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Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)cc1Cl ZINC000085808747 557076695 /nfs/dbraw/zinc/07/66/95/557076695.db2.gz CXZZETXXWIHGJS-UHFFFAOYSA-N -1 0 435.893 3.063 50 0 IGAARM CCc1nnsc1C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000024400555 557146237 /nfs/dbraw/zinc/14/62/37/557146237.db2.gz KFDNIURXHKRBCP-UHFFFAOYSA-N -1 0 436.490 3.301 50 0 IGAARM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(F)c2)c1 ZINC000024755909 557163257 /nfs/dbraw/zinc/16/32/57/557163257.db2.gz JZERWVHMARUQNO-UHFFFAOYSA-N -1 0 448.497 3.282 50 0 IGAARM Cc1cc(=O)c2cc(Cl)ccc2n1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000218205246 557181879 /nfs/dbraw/zinc/18/18/79/557181879.db2.gz ATJSSPXDJJPRCC-IBGZPJMESA-N -1 0 437.883 3.257 50 0 IGAARM COc1ccccc1N1C(=O)[C@H]2C(C(C)=O)=NN(c3c(Cl)cccc3Cl)C2=C1[O-] ZINC000100948669 557206111 /nfs/dbraw/zinc/20/61/11/557206111.db2.gz MDIWGCQVUSHLRL-MAUKXSAKSA-N -1 0 432.263 3.325 50 0 IGAARM 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ZINC000102720482 557368807 /nfs/dbraw/zinc/36/88/07/557368807.db2.gz ZTOGUXFIHFFIJS-CYBMUJFWSA-N -1 0 434.477 3.139 50 0 IGAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(F)ccc4OC)cc3)cn2n1 ZINC000011693571 557391491 /nfs/dbraw/zinc/39/14/91/557391491.db2.gz BKMZDGROZWTHMT-UHFFFAOYSA-N -1 0 428.445 3.353 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)cc1F ZINC000101262464 557456021 /nfs/dbraw/zinc/45/60/21/557456021.db2.gz GNFSHBYXGHMDAH-IRXDYDNUSA-N -1 0 440.822 3.331 50 0 IGAARM Cc1c(O[C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000002155511 562926071 /nfs/dbraw/zinc/92/60/71/562926071.db2.gz UUORCTDTBMEDJK-QRWLVFNGSA-N -1 0 435.476 3.170 50 0 IGAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1F ZINC000002370693 562927186 /nfs/dbraw/zinc/92/71/86/562927186.db2.gz QNYMIRAKEOPQPG-UHFFFAOYSA-N -1 0 436.515 3.210 50 0 IGAARM Cc1c(C(=O)[O-])sc2[nH]c(CSc3nnc(-c4ccc(F)cc4)n3C)nc(=O)c12 ZINC000003342496 562934442 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O=C([O-])C[C@@H]1S/C(=N/N=C/c2cccc(OC(=O)c3cccc4ccccc43)c2)NC1=O ZINC000001138599 568877458 /nfs/dbraw/zinc/87/74/58/568877458.db2.gz HTFKSPCCNJDQDA-BBMHEYIBSA-N -1 0 447.472 3.455 50 0 IGAARM Cc1cc(=O)oc2cc(NC(=S)N[N-]S(=O)(=O)c3ccc4ccccc4c3)ccc12 ZINC000050107611 568884646 /nfs/dbraw/zinc/88/46/46/568884646.db2.gz DEGCLLHDLYSETH-UHFFFAOYSA-N -1 0 439.518 3.435 50 0 IGAARM O=C([O-])C[C@H](CC(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1cccs1 ZINC000090607346 568889861 /nfs/dbraw/zinc/88/98/61/568889861.db2.gz MJWZMJSHXXJZEO-RTRPANQVSA-N -1 0 430.526 3.358 50 0 IGAARM CCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccc3c2OC(C)(C)C3)c(C)c1 ZINC000064241226 568894090 /nfs/dbraw/zinc/89/40/90/568894090.db2.gz OMAPNSQCNDIXLC-UHFFFAOYSA-N -1 0 425.528 3.238 50 0 IGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000245239046 568913196 /nfs/dbraw/zinc/91/31/96/568913196.db2.gz DWQIWIVOLGFWKS-IPJJNNNSSA-N -1 0 433.508 3.015 50 0 IGAARM O=C([O-])CCCC(=O)Oc1ccccc1C(=O)NN=Cc1ccc(Br)cc1 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OOWPFIYVIBBCTL-SFHVURJKSA-N -1 0 439.415 3.335 50 0 IGAARM COc1cccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1OCC(=O)[O-] ZINC000002978136 555870547 /nfs/dbraw/zinc/87/05/47/555870547.db2.gz JAGYBJSNTPCKJL-SFHVURJKSA-N -1 0 426.454 3.236 50 0 IGAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)N1CCOCC1 ZINC000002973798 556152430 /nfs/dbraw/zinc/15/24/30/556152430.db2.gz UTWBJEBKYCUNFD-UHFFFAOYSA-N -1 0 440.363 3.241 50 0 IGAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])cc3)C2=O)c(C)c1 ZINC000009235469 556263479 /nfs/dbraw/zinc/26/34/79/556263479.db2.gz RCSTYFYAVZILDE-VCHYOVAHSA-N -1 0 440.477 3.442 50 0 IGAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1ccc(Br)cc1 ZINC000009348946 556284427 /nfs/dbraw/zinc/28/44/27/556284427.db2.gz DGKJUZBUIDERQH-UHFFFAOYSA-N -1 0 432.299 3.431 50 0 IGAARM Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000009805602 556309374 /nfs/dbraw/zinc/30/93/74/556309374.db2.gz GSZFOMMHYGQTJC-UHFFFAOYSA-N -1 0 432.889 3.477 50 0 IGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(COc3cccc(F)c3)c2C)cc1 ZINC000032609836 556408456 /nfs/dbraw/zinc/40/84/56/556408456.db2.gz BVVQNOWUDJXSMK-UHFFFAOYSA-N -1 0 432.477 3.435 50 0 IGAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1 ZINC000013017066 556438385 /nfs/dbraw/zinc/43/83/85/556438385.db2.gz PPNHPEULXIXQMQ-UHFFFAOYSA-N -1 0 448.451 3.449 50 0 IGAARM C[C@@](CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)(C(=O)[O-])c1ccccc1 ZINC000013250738 556500722 /nfs/dbraw/zinc/50/07/22/556500722.db2.gz KBSYFYFCVXFUOL-QFIPXVFZSA-N -1 0 442.493 3.129 50 0 IGAARM Cc1occc1-c1nnc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000013394247 556504295 /nfs/dbraw/zinc/50/42/95/556504295.db2.gz DEZAOZREMPVHJA-INIZCTEOSA-N -1 0 426.454 3.024 50 0 IGAARM O=C(Nc1ccc(F)cc1F)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000032904798 556544642 /nfs/dbraw/zinc/54/46/42/556544642.db2.gz UDFPBPGEOVRSRV-UHFFFAOYSA-N -1 0 444.419 3.188 50 0 IGAARM C[C@H](NC(=O)c1nn(-c2ccccc2I)cc1[O-])c1ccncc1 ZINC000072311808 556590995 /nfs/dbraw/zinc/59/09/95/556590995.db2.gz DBMCQCJIMRZFPJ-NSHDSACASA-N -1 0 434.237 3.069 50 0 IGAARM COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000032975709 556600358 /nfs/dbraw/zinc/60/03/58/556600358.db2.gz HBODZVCWNZETEW-QZTJIDSGSA-N -1 0 442.537 3.480 50 0 IGAARM O=C([O-])[C@H](Cc1ccc(I)cc1)NC(=O)OCc1ccccc1 ZINC000038839311 556623669 /nfs/dbraw/zinc/62/36/69/556623669.db2.gz RLQFURMICGBHLW-HNNXBMFYSA-N -1 0 425.222 3.213 50 0 IGAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)[O-])cc2)CC1 ZINC000017099035 556664225 /nfs/dbraw/zinc/66/42/25/556664225.db2.gz JCLYGCARWMVYFA-YEYPGUGLSA-N -1 0 434.558 3.183 50 0 IGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N3CCCCC3)oc2C)cc1 ZINC000097940889 556810620 /nfs/dbraw/zinc/81/06/20/556810620.db2.gz LFVRHCNRPFIVIE-UHFFFAOYSA-N -1 0 444.513 3.414 50 0 IGAARM Cc1c(C)c2c(OCC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008765183 556845722 /nfs/dbraw/zinc/84/57/22/556845722.db2.gz UDDNIDULKWOHOE-OAHLLOKOSA-N -1 0 443.496 3.215 50 0 IGAARM CC(=O)c1cccc(NC(=O)N2CCc3nc4cc(-c5ccccc5)[n-]n4c(=O)c3C2)c1 ZINC000097112416 556989473 /nfs/dbraw/zinc/98/94/73/556989473.db2.gz DUKLJSMMWSUJLZ-UHFFFAOYSA-N -1 0 427.464 3.482 50 0 IGAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccccc2Cl)C1 ZINC000023115094 557064527 /nfs/dbraw/zinc/06/45/27/557064527.db2.gz HNMQRTLICZYYEF-GOSISDBHSA-N -1 0 449.916 3.254 50 0 IGAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)cn2CC(=O)N2CCCC2)n1 ZINC000033307535 557086549 /nfs/dbraw/zinc/08/65/49/557086549.db2.gz KUFKDKIKADUAFR-UHFFFAOYSA-N -1 0 448.545 3.482 50 0 IGAARM O=S(=O)([N-]c1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc2c(c1)CCCC2 ZINC000206847304 557166430 /nfs/dbraw/zinc/16/64/30/557166430.db2.gz DZXUNBJELAZGJA-IBGZPJMESA-N -1 0 425.510 3.403 50 0 IGAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000100970027 557208986 /nfs/dbraw/zinc/20/89/86/557208986.db2.gz JCOYCMOSSRINSX-QHAWAJNXSA-N -1 0 430.416 3.142 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1C ZINC000101169486 557259186 /nfs/dbraw/zinc/25/91/86/557259186.db2.gz IQZZRLIBGGZUKG-MOPGFXCFSA-N -1 0 425.876 3.197 50 0 IGAARM COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101130539 557261727 /nfs/dbraw/zinc/26/17/27/557261727.db2.gz SCHNXELDNRZMGQ-DOTOQJQBSA-N -1 0 432.263 3.209 50 0 IGAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@H]1c1cccs1 ZINC000101765655 557295422 /nfs/dbraw/zinc/29/54/22/557295422.db2.gz AMPALVGJVMZJIP-AWEZNQCLSA-N -1 0 444.900 3.034 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4Cl)c(=O)c2=3)cc1 ZINC000102001371 557311627 /nfs/dbraw/zinc/31/16/27/557311627.db2.gz JDNJGMLIKVJESJ-SJORKVTESA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c=2c1=O ZINC000102001583 557311659 /nfs/dbraw/zinc/31/16/59/557311659.db2.gz OWXPNMZNYWAEHK-SJORKVTESA-N -1 0 432.267 3.234 50 0 IGAARM O=C(c1c([O-])c(Cl)cc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000032914111 557318229 /nfs/dbraw/zinc/31/82/29/557318229.db2.gz BRGDOKARXCUJAX-UHFFFAOYSA-N -1 0 449.743 3.499 50 0 IGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3cn4nc(OC)ccc4n3)cc2)c1 ZINC000011693570 557391508 /nfs/dbraw/zinc/39/15/08/557391508.db2.gz HOWCNOHPMRPTEM-UHFFFAOYSA-N -1 0 440.481 3.223 50 0 IGAARM COc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316771 557465471 /nfs/dbraw/zinc/46/54/71/557465471.db2.gz OWPWQMMFJKSJNC-UHFFFAOYSA-N -1 0 443.435 3.126 50 0 IGAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3c(C)noc3C)ccc2OC)cc1 ZINC000014843092 557475704 /nfs/dbraw/zinc/47/57/04/557475704.db2.gz MJEDVVYTZZAZMM-UHFFFAOYSA-N -1 0 431.470 3.362 50 0 IGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(N(C)C)c3)C2)c1 ZINC000225847793 557784865 /nfs/dbraw/zinc/78/48/65/557784865.db2.gz MMJCTRBPBWWZKZ-OAQYLSRUSA-N -1 0 425.485 3.312 50 0 IGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(N(C)C)c3)C2)c1 ZINC000225847774 557784883 /nfs/dbraw/zinc/78/48/83/557784883.db2.gz MMJCTRBPBWWZKZ-NRFANRHFSA-N -1 0 425.485 3.312 50 0 IGAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000058370532 557812379 /nfs/dbraw/zinc/81/23/79/557812379.db2.gz ASSCGUHWYIKGLH-XVNBXDOJSA-N -1 0 430.251 3.495 50 0 IGAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(C(=O)OC)c1C ZINC000000953553 562919832 /nfs/dbraw/zinc/91/98/32/562919832.db2.gz GSMAWMVXOWENPU-UHFFFAOYSA-N -1 0 448.316 3.193 50 0 IGAARM O=S(=O)([N-]c1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1ccccc1 ZINC000002694970 562929828 /nfs/dbraw/zinc/92/98/28/562929828.db2.gz PCENFCHOOISHAQ-UHFFFAOYSA-N -1 0 437.568 3.272 50 0 IGAARM C[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)C1 ZINC000003051691 562932301 /nfs/dbraw/zinc/93/23/01/562932301.db2.gz JEZOEKSEPONGJX-AWEZNQCLSA-N -1 0 437.521 3.334 50 0 IGAARM COc1ccccc1-n1c(O)c2n(-c3ccccc3)[n-]c(C(=O)c3ccccc3)c-2c1=O ZINC000008918921 562966051 /nfs/dbraw/zinc/96/60/51/562966051.db2.gz VYYBBBIZUJOKDI-RBBKRZOGSA-N -1 0 425.444 3.312 50 0 IGAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12 ZINC000000945248 568643370 /nfs/dbraw/zinc/64/33/70/568643370.db2.gz NHPPCDZCRMDZNC-VBKZILBWSA-N -1 0 434.448 3.162 50 0 IGAARM O=C(CCc1nnc(-c2cc(Cl)ccc2F)[n-]c1=O)NCc1ccc2c(c1)OCO2 ZINC000034768657 568737989 /nfs/dbraw/zinc/73/79/89/568737989.db2.gz XUOUPRLSFXGOHQ-UHFFFAOYSA-N -1 0 430.823 3.014 50 0 IGAARM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)s1 ZINC000015720710 568811586 /nfs/dbraw/zinc/81/15/86/568811586.db2.gz UZBQLBQJJFJCGB-UHFFFAOYSA-N -1 0 435.433 3.018 50 0 IGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720799 568811695 /nfs/dbraw/zinc/81/16/95/568811695.db2.gz URHLVVWXGBCCSV-UHFFFAOYSA-N -1 0 443.506 3.139 50 0 IGAARM COc1ccc(-c2nc3sc(CCNS(=O)(=O)c4ccccc4F)c(C)n3n2)cc1 ZINC000015823566 568840281 /nfs/dbraw/zinc/84/02/81/568840281.db2.gz IGACUPDLJLAZRI-UHFFFAOYSA-N -1 0 446.529 3.435 50 0 IGAARM COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000008878481 568927261 /nfs/dbraw/zinc/92/72/61/568927261.db2.gz JLVUNZNHEDANQB-VXKWHMMOSA-N -1 0 442.512 3.479 50 0 IGAARM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[P@@](=O)([O-])O ZINC000027023858 568939287 /nfs/dbraw/zinc/93/92/87/568939287.db2.gz YQRZKMTZQDZHMU-WOJBJXKFSA-N -1 0 448.456 3.190 50 0 IGAARM COc1cc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)cc(OC)c1OC ZINC000064844579 568971749 /nfs/dbraw/zinc/97/17/49/568971749.db2.gz NQHDEPAMCUVXSX-UHFFFAOYSA-N -1 0 425.488 3.242 50 0 IGAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccn3)c2oc1C(=O)N1CCOCC1 ZINC000065010875 569088374 /nfs/dbraw/zinc/08/83/74/569088374.db2.gz KCNXLVWUGZUJFY-UHFFFAOYSA-N -1 0 429.498 3.026 50 0 IGAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1F ZINC000065098850 569104439 /nfs/dbraw/zinc/10/44/39/569104439.db2.gz ZHLPHSGUOGYZQL-UHFFFAOYSA-N -1 0 436.490 3.282 50 0 IGAARM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000065116638 569107412 /nfs/dbraw/zinc/10/74/12/569107412.db2.gz KRCJKEJUBLZTMW-UHFFFAOYSA-N -1 0 432.527 3.452 50 0 IGAARM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246436 569121854 /nfs/dbraw/zinc/12/18/54/569121854.db2.gz MJTYLDYDJRJIDZ-UHFFFAOYSA-N -1 0 430.486 3.235 50 0 IGAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000089624164 569160138 /nfs/dbraw/zinc/16/01/38/569160138.db2.gz FXMXOIKRCSSHEW-IINYFYTJSA-N -1 0 431.392 3.172 50 0 IGAARM Cc1cc(NC(=O)c2ccco2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1 ZINC000017135730 569174397 /nfs/dbraw/zinc/17/43/97/569174397.db2.gz BNRUAIZGDRRKEV-UHFFFAOYSA-N -1 0 429.440 3.477 50 0 IGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2oc1=O ZINC000002147543 569186933 /nfs/dbraw/zinc/18/69/33/569186933.db2.gz KKNOFXFXJSMTPD-VFNWGFHPSA-N -1 0 448.475 3.471 50 0 IGAARM O=C([O-])CCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000002271280 569217610 /nfs/dbraw/zinc/21/76/10/569217610.db2.gz HVQKCIHMVXRGMZ-LGMDPLHJSA-N -1 0 431.286 3.201 50 0 IGAARM CC(C)C[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000027533955 569267214 /nfs/dbraw/zinc/26/72/14/569267214.db2.gz WZBYEQMTWOSHBH-QKXCFHHRSA-N -1 0 449.301 3.429 50 0 IGAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnc3c(Br)cccn23)ccc1C ZINC000328594036 569317448 /nfs/dbraw/zinc/31/74/48/569317448.db2.gz JXEHQCHNFMFBOI-UHFFFAOYSA-N -1 0 438.303 3.383 50 0 IGAARM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cnc2c(Br)cccn12 ZINC000328594107 569317525 /nfs/dbraw/zinc/31/75/25/569317525.db2.gz QAWAQWWSIICAPA-UHFFFAOYSA-N -1 0 444.282 3.062 50 0 IGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCc4ccccn4)c3=O)c2c1 ZINC000020331274 569360958 /nfs/dbraw/zinc/36/09/58/569360958.db2.gz AUOZBWYNDNPZGH-UHFFFAOYSA-N -1 0 437.525 3.431 50 0 IGAARM Cc1ccccc1CN(CC(=O)[O-])C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000095424494 569365820 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431.474 3.218 50 0 IGAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(CCc2ccccc2)c1=O ZINC000009059057 569499315 /nfs/dbraw/zinc/49/93/15/569499315.db2.gz BOMNHCJSDVNCRH-JOCHJYFZSA-N -1 0 430.508 3.346 50 0 IGAARM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)cc2OCC(C)(C)C1=O ZINC000009166346 569508857 /nfs/dbraw/zinc/50/88/57/569508857.db2.gz TXCWMNFYXOTLHG-UHFFFAOYSA-N -1 0 434.514 3.276 50 0 IGAARM CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009183599 569509858 /nfs/dbraw/zinc/50/98/58/569509858.db2.gz GJHFBHFBRZAVSS-OAHLLOKOSA-N -1 0 436.555 3.497 50 0 IGAARM O=C([O-])c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Cl)c3)C2=O)ccc1O ZINC000009252595 569516038 /nfs/dbraw/zinc/51/60/38/569516038.db2.gz GHPYEBASGQIBMF-CHHVJCJISA-N -1 0 432.841 3.419 50 0 IGAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009285221 569519169 /nfs/dbraw/zinc/51/91/69/569519169.db2.gz DIOOTQSSHDYUQM-UHFFFAOYSA-N -1 0 434.461 3.291 50 0 IGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009315960 569522207 /nfs/dbraw/zinc/52/22/07/569522207.db2.gz VDKULSCLQNQKJQ-UHFFFAOYSA-N -1 0 426.498 3.479 50 0 IGAARM COc1cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C3CC3)ccc2OC)cc(OC)c1 ZINC000009335846 569523353 /nfs/dbraw/zinc/52/33/53/569523353.db2.gz JYLVFCKVHULCGA-CYBMUJFWSA-N -1 0 434.514 3.042 50 0 IGAARM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cc12 ZINC000009385483 569528414 /nfs/dbraw/zinc/52/84/14/569528414.db2.gz IRMBHQKJGWNJMA-UHFFFAOYSA-N -1 0 441.488 3.434 50 0 IGAARM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000009492628 569540604 /nfs/dbraw/zinc/54/06/04/569540604.db2.gz URYLSPBRYGSKTO-UHFFFAOYSA-N -1 0 442.868 3.410 50 0 IGAARM Nn1c(SCc2nc(=O)c3sccc3[n-]2)nc2scc(-c3ccccc3)c2c1=O ZINC000009671756 569558636 /nfs/dbraw/zinc/55/86/36/569558636.db2.gz HNQDSGVOVVULTJ-UHFFFAOYSA-N -1 0 439.547 3.429 50 0 IGAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 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Cc1ccnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000000823371 555564503 /nfs/dbraw/zinc/56/45/03/555564503.db2.gz OLWKPHCTHRSDLW-UHFFFAOYSA-N -1 0 438.918 3.040 50 0 IGAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(C)c1 ZINC000000917283 555583461 /nfs/dbraw/zinc/58/34/61/555583461.db2.gz DRHOZAFCAWVXSR-UHFFFAOYSA-N -1 0 432.527 3.003 50 0 IGAARM COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3C2=O)cc1O ZINC000001210175 555681923 /nfs/dbraw/zinc/68/19/23/555681923.db2.gz LHSHTHPFOYTXHP-UHFFFAOYSA-N -1 0 432.388 3.152 50 0 IGAARM COc1ccc(-c2nc3ccccc3c(=O)o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000002501847 555784554 /nfs/dbraw/zinc/78/45/54/555784554.db2.gz RWQADQIYZDGLHZ-UHFFFAOYSA-N -1 0 442.383 3.362 50 0 IGAARM Cc1ccc(C(=O)N/C(=C/c2cccc(Br)c2)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000002982485 555872776 /nfs/dbraw/zinc/87/27/76/555872776.db2.gz JXMBVQRCLNQJBK-VVBXCHJUSA-N -1 0 431.286 3.118 50 0 IGAARM NC(=O)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000004241962 555978769 /nfs/dbraw/zinc/97/87/69/555978769.db2.gz MUNGLNMRFZUOTD-JOCHJYFZSA-N -1 0 430.460 3.320 50 0 IGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005608798 556060401 /nfs/dbraw/zinc/06/04/01/556060401.db2.gz JNRHNGGTJOBXHL-DHIUTWEWSA-N -1 0 446.503 3.336 50 0 IGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c(OC)c1 ZINC000002750425 556136941 /nfs/dbraw/zinc/13/69/41/556136941.db2.gz ZQFDUYCDGSLBPC-UHFFFAOYSA-N -1 0 431.470 3.362 50 0 IGAARM CCCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)NC1=S ZINC000008396558 556163580 /nfs/dbraw/zinc/16/35/80/556163580.db2.gz UWQZWDMZYFSKOD-BOPFTXTBSA-N -1 0 426.494 3.440 50 0 IGAARM CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000008685515 556199999 /nfs/dbraw/zinc/19/99/99/556199999.db2.gz HKSFCKVYCYWQNQ-UHFFFAOYSA-N -1 0 448.516 3.350 50 0 IGAARM C[C@H](NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000097636050 556283977 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50 0 IGAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000100034345 557238309 /nfs/dbraw/zinc/23/83/09/557238309.db2.gz KTDDDXLDLMDMLJ-RTWAWAEBSA-N -1 0 435.484 3.141 50 0 IGAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000100034336 557238386 /nfs/dbraw/zinc/23/83/86/557238386.db2.gz KTDDDXLDLMDMLJ-SFTDATJTSA-N -1 0 435.484 3.141 50 0 IGAARM CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000026549191 557244469 /nfs/dbraw/zinc/24/44/69/557244469.db2.gz WEFZMDZNEIEOMZ-UHFFFAOYSA-N -1 0 447.738 3.370 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(Cl)c1 ZINC000101165906 557257732 /nfs/dbraw/zinc/25/77/32/557257732.db2.gz WWXIEFHZVWABNB-DLBZAZTESA-N -1 0 432.267 3.234 50 0 IGAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)c1 ZINC000101277601 557266406 /nfs/dbraw/zinc/26/64/06/557266406.db2.gz QVBYYFDMVAMIJI-ROUUACIJSA-N -1 0 434.481 3.260 50 0 IGAARM 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COc1cccc(-n2c(=O)c(C(=O)NCc3cc(F)cc(F)c3)c([O-])c3cccnc32)c1 ZINC000101722495 557294751 /nfs/dbraw/zinc/29/47/51/557294751.db2.gz JGHRWGNPUXMDLR-UHFFFAOYSA-N -1 0 437.402 3.308 50 0 IGAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@@H]1c1cccs1 ZINC000101765365 557295324 /nfs/dbraw/zinc/29/53/24/557295324.db2.gz KKWLYOBCKCFJCC-CQSZACIVSA-N -1 0 444.900 3.034 50 0 IGAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@@H]1c1cccs1 ZINC000101765660 557295467 /nfs/dbraw/zinc/29/54/67/557295467.db2.gz AMPALVGJVMZJIP-CQSZACIVSA-N -1 0 444.900 3.034 50 0 IGAARM O=c1[nH]c([O-])c(C2=NN[C@H](c3cccc4ccccc43)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101763186 557297817 /nfs/dbraw/zinc/29/78/17/557297817.db2.gz KKVIKLGOXQUONJ-SFHVURJKSA-N -1 0 432.867 3.477 50 0 IGAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)c1 ZINC000101892856 557305986 /nfs/dbraw/zinc/30/59/86/557305986.db2.gz MFAQXOFOPMEUNL-MSOLQXFVSA-N -1 0 434.481 3.260 50 0 IGAARM 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ZINC000006173450 568850940 /nfs/dbraw/zinc/85/09/40/568850940.db2.gz HZCVGNRORJUXNO-UHFFFAOYSA-N -1 0 425.392 3.185 50 0 IGAARM O=C(C1CC1)N1CCN(Cc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)CC1 ZINC000013018445 568901839 /nfs/dbraw/zinc/90/18/39/568901839.db2.gz XROGWYPRQKLMCD-UHFFFAOYSA-N -1 0 428.945 3.359 50 0 IGAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000036353019 569083990 /nfs/dbraw/zinc/08/39/90/569083990.db2.gz SEGWQYASHUGXTI-LJQANCHMSA-N -1 0 444.532 3.441 50 0 IGAARM Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4ccccc4C)c(Cl)cc32)no1 ZINC000065022406 569088926 /nfs/dbraw/zinc/08/89/26/569088926.db2.gz VJYAKQLICYBNTK-UHFFFAOYSA-N -1 0 448.888 3.066 50 0 IGAARM CCCNC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2o1 ZINC000036393157 569098458 /nfs/dbraw/zinc/09/84/58/569098458.db2.gz LZABYSRCNRHHDT-UHFFFAOYSA-N -1 0 435.527 3.256 50 0 IGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000036395922 569098884 /nfs/dbraw/zinc/09/88/84/569098884.db2.gz XARFMGIAILQICG-OAHLLOKOSA-N -1 0 449.960 3.095 50 0 IGAARM O=C1N[C@H](c2ccccc2OC(F)F)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000036398771 569101443 /nfs/dbraw/zinc/10/14/43/569101443.db2.gz WOPTXHNOWJOMAX-OZVIIMIRSA-N -1 0 436.358 3.453 50 0 IGAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1C ZINC000065097371 569103728 /nfs/dbraw/zinc/10/37/28/569103728.db2.gz HNZRSALAQKXDQN-UHFFFAOYSA-N -1 0 432.527 3.452 50 0 IGAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c1 ZINC000065098822 569104338 /nfs/dbraw/zinc/10/43/38/569104338.db2.gz PQDBMQXKXLXUBM-UHFFFAOYSA-N -1 0 432.527 3.452 50 0 IGAARM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccccc3F)c2)o1)N1CCCCC1 ZINC000065098925 569104691 /nfs/dbraw/zinc/10/46/91/569104691.db2.gz CVFISERYUUXHQM-UHFFFAOYSA-N -1 0 436.490 3.364 50 0 IGAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cnn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000065249964 569122010 /nfs/dbraw/zinc/12/20/10/569122010.db2.gz PLLVOHULFYZGEF-UHFFFAOYSA-N -1 0 428.807 3.473 50 0 IGAARM Cc1cccc(C(=O)N2CCC(O)CC2)c1[N-]S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000089688853 569161255 /nfs/dbraw/zinc/16/12/55/569161255.db2.gz HNKQWUJLBWDERV-UHFFFAOYSA-N -1 0 449.617 3.295 50 0 IGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000089884845 569166706 /nfs/dbraw/zinc/16/67/06/569166706.db2.gz UAMVUIOGTVTGPF-UHFFFAOYSA-N -1 0 438.387 3.428 50 0 IGAARM O=C(NCc1cccs1)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000001134821 569176815 /nfs/dbraw/zinc/17/68/15/569176815.db2.gz FFQKWOJCNDGUGL-UHFFFAOYSA-N -1 0 442.566 3.063 50 0 IGAARM CCC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)C(=O)[O-] ZINC000002119902 569182758 /nfs/dbraw/zinc/18/27/58/569182758.db2.gz QKFIDTTZGNBJIU-LJQANCHMSA-N -1 0 425.437 3.217 50 0 IGAARM CC(C)C[C@H](NC(=O)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(C)C)C(=O)[O-] ZINC000252347099 569183123 /nfs/dbraw/zinc/18/31/23/569183123.db2.gz VNXKVADPEPIJHY-QXAKKESOSA-N -1 0 446.548 3.469 50 0 IGAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12 ZINC000002126737 569184055 /nfs/dbraw/zinc/18/40/55/569184055.db2.gz IGAYEPRLKCNKLH-SZNDQCEHSA-N -1 0 448.475 3.416 50 0 IGAARM O=C([O-])C1CCC(CNC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)CC1 ZINC000002199091 569191484 /nfs/dbraw/zinc/19/14/84/569191484.db2.gz JLAIWEISRLXEKT-UHFFFAOYSA-N -1 0 425.529 3.210 50 0 IGAARM COc1cccc(-n2c3nc(SCC(=O)N4CCCC4)[n-]c(=O)c3sc2=S)c1 ZINC000002452445 569305874 /nfs/dbraw/zinc/30/58/74/569305874.db2.gz PLPXIIYMQFTJHU-UHFFFAOYSA-N -1 0 434.568 3.228 50 0 IGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NC[C@H]4CCCO4)c3=O)c2c1 ZINC000020331380 569360875 /nfs/dbraw/zinc/36/08/75/569360875.db2.gz SNJNPPWYWLBXKX-CQSZACIVSA-N -1 0 430.530 3.014 50 0 IGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000095424573 569365809 /nfs/dbraw/zinc/36/58/09/569365809.db2.gz NLRQEWDCUJOQIV-HXUWFJFHSA-N -1 0 432.480 3.338 50 0 IGAARM COc1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OCC(=O)[O-] ZINC000095424335 569365827 /nfs/dbraw/zinc/36/58/27/569365827.db2.gz NKTUHJGVCYPPAY-ZDUSSCGKSA-N -1 0 427.432 3.283 50 0 IGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccn(-c3cc(C)ccc3OC)n2)cc1OC ZINC000095424072 569365858 /nfs/dbraw/zinc/36/58/58/569365858.db2.gz NUBWHYJDNFBNDG-QGZVFWFLSA-N -1 0 439.468 3.152 50 0 IGAARM COc1cc(C(=O)N[C@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)ccc1OCC(=O)[O-] ZINC000095424388 569365903 /nfs/dbraw/zinc/36/59/03/569365903.db2.gz UWZVGTRLARIACS-CQSZACIVSA-N -1 0 427.432 3.283 50 0 IGAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000095425264 569366030 /nfs/dbraw/zinc/36/60/30/569366030.db2.gz DCFNYYNTHIACEE-HXUWFJFHSA-N -1 0 434.448 3.257 50 0 IGAARM COc1cc2nc(SCc3n[nH]c(=O)[n-]3)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000095455402 569368575 /nfs/dbraw/zinc/36/85/75/569368575.db2.gz MJKWDAIVOPQHGI-UHFFFAOYSA-N -1 0 443.529 3.008 50 0 IGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c(OC)c1 ZINC000095464084 569370515 /nfs/dbraw/zinc/37/05/15/569370515.db2.gz UGWNNCXTVMUFOY-GOSISDBHSA-N -1 0 427.457 3.354 50 0 IGAARM Cc1cc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(C)c1 ZINC000095481484 569374030 /nfs/dbraw/zinc/37/40/30/569374030.db2.gz KPUBFZJZPIUNRL-RBUKOAKNSA-N -1 0 425.876 3.197 50 0 IGAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c(C)c1CC(=O)[O-] ZINC000096007264 569379487 /nfs/dbraw/zinc/37/94/87/569379487.db2.gz BTLGTGRWOYLALM-UHFFFAOYSA-N -1 0 431.514 3.324 50 0 IGAARM O=C1C[C@@H](c2cnn3cccnc23)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096113850 569382768 /nfs/dbraw/zinc/38/27/68/569382768.db2.gz JRAXLCYZKCFZPI-AWEZNQCLSA-N -1 0 441.399 3.355 50 0 IGAARM COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000096287072 569390339 /nfs/dbraw/zinc/39/03/39/569390339.db2.gz AREQQIZRTLQWCP-KDURUIRLSA-N -1 0 442.537 3.480 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)c(Cl)c4)c=3c2=O)cc1 ZINC000002786903 569421463 /nfs/dbraw/zinc/42/14/63/569421463.db2.gz NFQHQQBXSJZMGN-DLBZAZTESA-N -1 0 432.267 3.234 50 0 IGAARM O=C([O-])C1CCN(C(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000003291083 569444397 /nfs/dbraw/zinc/44/43/97/569444397.db2.gz OMODPKHEGSUSQL-UHFFFAOYSA-N -1 0 429.523 3.067 50 0 IGAARM NC(=O)c1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[nH]c(=O)cc2[O-] ZINC000040267033 569497419 /nfs/dbraw/zinc/49/74/19/569497419.db2.gz KKIBNAMZODTDMS-UHFFFAOYSA-N -1 0 443.428 3.144 50 0 IGAARM CCOC(CNC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2[n-]c1=S)OCC ZINC000009120678 569503966 /nfs/dbraw/zinc/50/39/66/569503966.db2.gz WJEDSBSETXCDAQ-IBGZPJMESA-N -1 0 441.553 3.358 50 0 IGAARM CC[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009141126 569507261 /nfs/dbraw/zinc/50/72/61/569507261.db2.gz GJHFBHFBRZAVSS-HNNXBMFYSA-N -1 0 436.555 3.497 50 0 IGAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Cl)c3)C2=O)cc1O ZINC000009215895 569512016 /nfs/dbraw/zinc/51/20/16/569512016.db2.gz QLOLVCZKCNWKGB-CHHVJCJISA-N -1 0 432.841 3.419 50 0 IGAARM Cc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000009410704 569531370 /nfs/dbraw/zinc/53/13/70/569531370.db2.gz JFKULBMZIXVPLF-FQEVSTJZSA-N -1 0 443.525 3.299 50 0 IGAARM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc(C(=O)OCC)c1 ZINC000009509708 569542615 /nfs/dbraw/zinc/54/26/15/569542615.db2.gz ZFXTXFSDMRETLR-UHFFFAOYSA-N -1 0 431.388 3.258 50 0 IGAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000009674580 569559190 /nfs/dbraw/zinc/55/91/90/569559190.db2.gz FZGSNPCKRZIBFA-SJORKVTESA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1F ZINC000009748460 569565971 /nfs/dbraw/zinc/56/59/71/569565971.db2.gz XWLLAGYSRHEWSQ-MSOLQXFVSA-N -1 0 429.839 3.028 50 0 IGAARM CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1cccc(OC)c1OC)N(C)C2=O ZINC000009776703 569567063 /nfs/dbraw/zinc/56/70/63/569567063.db2.gz NLQCNCLDPIMFMV-PMACEKPBSA-N -1 0 429.469 3.496 50 0 IGAARM NC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000071328647 569575595 /nfs/dbraw/zinc/57/55/95/569575595.db2.gz PMWBWPYFGQBRRE-IBGZPJMESA-N -1 0 434.473 3.117 50 0 IGAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000022626811 122356784 /nfs/dbraw/zinc/35/67/84/122356784.db2.gz WRZQDVCXMBMGMS-ZJNRKIDTSA-N -1 0 432.546 3.411 50 0 IGAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccc(OC)cc2)C(=O)NCCC(=O)[O-])cc1 ZINC000012654946 520862566 /nfs/dbraw/zinc/86/25/66/520862566.db2.gz PLQPVHDAKQRIDG-LTGZKZEYSA-N -1 0 440.496 3.236 50 0 IGAARM CCOC(=O)c1ccc2nc([N-][C@]3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1 ZINC000012411159 521533165 /nfs/dbraw/zinc/53/31/65/521533165.db2.gz XPJIYFRFIYUPRP-HNNXBMFYSA-N -1 0 430.433 3.089 50 0 IGAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000012521235 521899136 /nfs/dbraw/zinc/89/91/36/521899136.db2.gz JFKSDVHSSPGBPG-UHFFFAOYSA-N -1 0 444.303 3.362 50 0 IGAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(C)c12 ZINC000011865643 522256657 /nfs/dbraw/zinc/25/66/57/522256657.db2.gz HWOIOGRALMIXSA-LJQANCHMSA-N -1 0 448.475 3.254 50 0 IGAARM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1C ZINC000012605782 522275078 /nfs/dbraw/zinc/27/50/78/522275078.db2.gz AENRUVIJVNOMLI-UHFFFAOYSA-N -1 0 442.868 3.376 50 0 IGAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(C(=O)OC)c1C ZINC000012557082 522427897 /nfs/dbraw/zinc/42/78/97/522427897.db2.gz DQFURCHJEJBGRD-UHFFFAOYSA-N -1 0 435.426 3.032 50 0 IGAARM CCc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022854406 522533579 /nfs/dbraw/zinc/53/35/79/522533579.db2.gz ZLOJCCMKIBFYAM-OAHLLOKOSA-N -1 0 436.379 3.158 50 0 IGAARM COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c13)CCC(C)(C)O2 ZINC000012898899 522994376 /nfs/dbraw/zinc/99/43/76/522994376.db2.gz UCUPRFHGGKYHEW-MRXNPFEDSA-N -1 0 445.512 3.372 50 0 IGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000022416338 523570275 /nfs/dbraw/zinc/57/02/75/523570275.db2.gz OGICGQJZLXFOPJ-UHFFFAOYSA-N -1 0 430.493 3.050 50 0 IGAARM COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCCCC(=O)[O-])ccc2c1=O ZINC000012296371 524691943 /nfs/dbraw/zinc/69/19/43/524691943.db2.gz NDPFXUPGDPYLKI-UHFFFAOYSA-N -1 0 441.436 3.262 50 0 IGAARM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000012541816 525026923 /nfs/dbraw/zinc/02/69/23/525026923.db2.gz VGEAVCVTBXYQSU-UHFFFAOYSA-N -1 0 442.534 3.200 50 0 IGAARM Cc1cc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)sc1C(=O)[O-] ZINC000058190985 525420745 /nfs/dbraw/zinc/42/07/45/525420745.db2.gz ZKUWBGFKDNRUEX-UHFFFAOYSA-N -1 0 434.289 3.089 50 0 IGAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012783373 525896183 /nfs/dbraw/zinc/89/61/83/525896183.db2.gz BWCAUIZZZRHVFT-MRXNPFEDSA-N -1 0 445.541 3.232 50 0 IGAARM O=C(NCCc1c[nH]c2ccccc12)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628149 526395174 /nfs/dbraw/zinc/39/51/74/526395174.db2.gz ZVINOIDWMCUKQK-UHFFFAOYSA-N -1 0 426.523 3.398 50 0 IGAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc([C@@]4(C)NC(=O)NC4=O)c3)s2)cs1 ZINC000089712611 526578573 /nfs/dbraw/zinc/57/85/73/526578573.db2.gz JTPLYBVTWZJPPL-GOSISDBHSA-N -1 0 448.551 3.035 50 0 IGAARM O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21)Nc1cc(F)ccc1F ZINC000020987132 527050933 /nfs/dbraw/zinc/05/09/33/527050933.db2.gz VZTMLVMOQGCWGM-UHFFFAOYSA-N -1 0 431.399 3.233 50 0 IGAARM Cc1nc2nc(S[C@@H](C)C(=O)Nc3ccc(F)c(Cl)c3)nn2c(C)c1CC(=O)[O-] ZINC000012779039 527201576 /nfs/dbraw/zinc/20/15/76/527201576.db2.gz YIXTWSZAQOPGPB-JTQLQIEISA-N -1 0 437.884 3.280 50 0 IGAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Cl)s1 ZINC000020554919 527246520 /nfs/dbraw/zinc/24/65/20/527246520.db2.gz YYRCXDPLMVKCEM-UHFFFAOYSA-N -1 0 436.946 3.496 50 0 IGAARM CCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1 ZINC000004082786 534977440 /nfs/dbraw/zinc/97/74/40/534977440.db2.gz HLIRPTGOHQGREF-UHFFFAOYSA-N -1 0 431.508 3.478 50 0 IGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(C(=O)OCC(=O)c3ccccc3)cc1)C2=O ZINC000000704773 555544347 /nfs/dbraw/zinc/54/43/47/555544347.db2.gz RQEMPLKVXLHJAT-UHFFFAOYSA-N -1 0 429.384 3.225 50 0 IGAARM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(OC)c1OC ZINC000000790807 555557106 /nfs/dbraw/zinc/55/71/06/555557106.db2.gz HGFVTPVPQHUFFE-UHFFFAOYSA-N -1 0 443.481 3.161 50 0 IGAARM CCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)cc1 ZINC000001052032 555613335 /nfs/dbraw/zinc/61/33/35/555613335.db2.gz CZUOWHVERHAASU-UHFFFAOYSA-N -1 0 426.498 3.491 50 0 IGAARM CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3F)C2)c1 ZINC000001053113 555613923 /nfs/dbraw/zinc/61/39/23/555613923.db2.gz AJKARBNOTBAECJ-IBGZPJMESA-N -1 0 447.488 3.130 50 0 IGAARM O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002556585 555787267 /nfs/dbraw/zinc/78/72/67/555787267.db2.gz RNFLNNQAFRFTFE-QHCPKHFHSA-N -1 0 444.487 3.337 50 0 IGAARM COc1cc(-c2nnc(CCC(=O)NC3CC3)c(=O)[n-]2)ccc1OCc1cccc(F)c1 ZINC000034766623 555906782 /nfs/dbraw/zinc/90/67/82/555906782.db2.gz IIAGYJKUPRRZTN-UHFFFAOYSA-N -1 0 438.459 3.182 50 0 IGAARM CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005706620 556063629 /nfs/dbraw/zinc/06/36/29/556063629.db2.gz YZFYPHPNSMINOZ-LEWJYISDSA-N -1 0 437.496 3.375 50 0 IGAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(F)c1 ZINC000002371665 556085641 /nfs/dbraw/zinc/08/56/41/556085641.db2.gz VAONNPSATKFZFY-UHFFFAOYSA-N -1 0 436.515 3.210 50 0 IGAARM Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)c1 ZINC000008451802 556182446 /nfs/dbraw/zinc/18/24/46/556182446.db2.gz TVGOUMHVIFMFDE-XDHOZWIPSA-N -1 0 445.431 3.485 50 0 IGAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2s1 ZINC000013693415 556282943 /nfs/dbraw/zinc/28/29/43/556282943.db2.gz NNWCFKPYDNOHGW-UHFFFAOYSA-N -1 0 432.502 3.261 50 0 IGAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000009580875 556300421 /nfs/dbraw/zinc/30/04/21/556300421.db2.gz VOTBWVBTWRWIHY-PMACEKPBSA-N -1 0 430.526 3.337 50 0 IGAARM COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000013811505 556312589 /nfs/dbraw/zinc/31/25/89/556312589.db2.gz BZVUGXRRLDLHJB-RDJZCZTQSA-N -1 0 432.263 3.209 50 0 IGAARM O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(Br)s1 ZINC000032590687 556406692 /nfs/dbraw/zinc/40/66/92/556406692.db2.gz GBBIFLYUUGWFJJ-UHFFFAOYSA-N -1 0 434.289 3.171 50 0 IGAARM COc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000013011943 556435928 /nfs/dbraw/zinc/43/59/28/556435928.db2.gz JQEBWWRFJVDPAM-UHFFFAOYSA-N -1 0 440.477 3.471 50 0 IGAARM COc1ccc(Br)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c1 ZINC000013183675 556498598 /nfs/dbraw/zinc/49/85/98/556498598.db2.gz QFOIEEQWHXGNTA-OAHLLOKOSA-N -1 0 438.274 3.421 50 0 IGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000013236540 556500361 /nfs/dbraw/zinc/50/03/61/556500361.db2.gz UXUWHMVZHHKQTL-SFHVURJKSA-N -1 0 443.887 3.478 50 0 IGAARM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)CC1 ZINC000033274830 556559479 /nfs/dbraw/zinc/55/94/79/556559479.db2.gz QAYJFPMOOJMSMM-UHFFFAOYSA-N -1 0 432.542 3.453 50 0 IGAARM COc1cccc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1OC ZINC000034694649 556581012 /nfs/dbraw/zinc/58/10/12/556581012.db2.gz WRLHXFGGVWLSCS-GLJUWKHASA-N -1 0 444.431 3.211 50 0 IGAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 ZINC000033026757 556703597 /nfs/dbraw/zinc/70/35/97/556703597.db2.gz WIZDQXBZZNOUHB-UHFFFAOYSA-N -1 0 433.917 3.440 50 0 IGAARM CSc1ccc(CNC(=O)Cn2c([O-])nc3c(-c4ccccc4F)c[nH]c3c2=O)cc1 ZINC000033038109 556724010 /nfs/dbraw/zinc/72/40/10/556724010.db2.gz OTPBPDYLLUWLRL-UHFFFAOYSA-N -1 0 438.484 3.275 50 0 IGAARM NC(=O)NCCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)C(=O)[O-] ZINC000072401808 556801594 /nfs/dbraw/zinc/80/15/94/556801594.db2.gz GJDZZCAMKXIUQV-GOSISDBHSA-N -1 0 440.887 3.187 50 0 IGAARM O=C([O-])c1ccc(C=C(C(=O)NCCc2ccccc2)C(=O)NCCc2ccccc2)cc1 ZINC000003283841 556808486 /nfs/dbraw/zinc/80/84/86/556808486.db2.gz NMYNTJPCISCZLH-UHFFFAOYSA-N -1 0 442.515 3.486 50 0 IGAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCCC3)o2)c1 ZINC000097940818 556811182 /nfs/dbraw/zinc/81/11/82/556811182.db2.gz HPNHVPLATAVSEI-UHFFFAOYSA-N -1 0 430.486 3.105 50 0 IGAARM O=C([N-]c1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)o1)c1ccc(Br)o1 ZINC000033169860 556885018 /nfs/dbraw/zinc/88/50/18/556885018.db2.gz QXBGDUNMRTXARR-VIFPVBQESA-N -1 0 435.209 3.337 50 0 IGAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1OC ZINC000033253434 556893757 /nfs/dbraw/zinc/89/37/57/556893757.db2.gz YOPBGQQUWOHGLV-UHFFFAOYSA-N -1 0 434.514 3.439 50 0 IGAARM NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cc1 ZINC000049546659 557111765 /nfs/dbraw/zinc/11/17/65/557111765.db2.gz CELMXUXDLLVBEQ-AWEZNQCLSA-N -1 0 439.855 3.167 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1Cl ZINC000095481500 557157535 /nfs/dbraw/zinc/15/75/35/557157535.db2.gz JCGRBLDRRFWGQQ-IRXDYDNUSA-N -1 0 432.267 3.234 50 0 IGAARM CCc1ccc(OCc2nnc(SCC(=O)NCCCC(=O)[O-])n2CC(C)C)cc1 ZINC000024832393 557170960 /nfs/dbraw/zinc/17/09/60/557170960.db2.gz LIMNSKKGWINDEP-UHFFFAOYSA-N -1 0 434.562 3.149 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1C ZINC000101083651 557231319 /nfs/dbraw/zinc/23/13/19/557231319.db2.gz MDMMTLANGSOCAF-OALUTQOASA-N -1 0 425.876 3.197 50 0 IGAARM CCCc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000100134639 557241979 /nfs/dbraw/zinc/24/19/79/557241979.db2.gz QXVRWQOMXCKKLI-MRXNPFEDSA-N -1 0 429.480 3.449 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)cc1F ZINC000101262465 557265671 /nfs/dbraw/zinc/26/56/71/557265671.db2.gz GNFSHBYXGHMDAH-SJORKVTESA-N -1 0 440.822 3.331 50 0 IGAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl ZINC000101388064 557282379 /nfs/dbraw/zinc/28/23/79/557282379.db2.gz PIHNVOUTQUBKDI-CVEARBPZSA-N -1 0 436.230 3.064 50 0 IGAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccc(C(C)C)cc1 ZINC000101456188 557286568 /nfs/dbraw/zinc/28/65/68/557286568.db2.gz SJNQWIFPFFQUHV-OAQYLSRUSA-N -1 0 446.507 3.112 50 0 IGAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc4c(c3)OCO4)C2)c([O-])[nH]c1=S ZINC000101495587 557289146 /nfs/dbraw/zinc/28/91/46/557289146.db2.gz RSEKFEBVQRHIJH-AWEZNQCLSA-N -1 0 444.513 3.228 50 0 IGAARM COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000101628074 557293045 /nfs/dbraw/zinc/29/30/45/557293045.db2.gz YQFHDLAGONNBFL-HDICACEKSA-N -1 0 428.510 3.171 50 0 IGAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)cc1OC ZINC000101767203 557295740 /nfs/dbraw/zinc/29/57/40/557295740.db2.gz CFTMNUXIPNTVAJ-GOSISDBHSA-N -1 0 439.493 3.154 50 0 IGAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccc(Cl)c(Cl)c1 ZINC000102001514 557311614 /nfs/dbraw/zinc/31/16/14/557311614.db2.gz XBPZIWHYAFPQHH-HZPDHXFCSA-N -1 0 436.230 3.064 50 0 IGAARM COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3C(=O)[O-])[C@H]2C1=O ZINC000102762441 557385710 /nfs/dbraw/zinc/38/57/10/557385710.db2.gz PFENJNKAHWXPSP-BHIFYINESA-N -1 0 444.443 3.445 50 0 IGAARM O=C([O-])c1cc(NC(=O)CCN2C(=O)S/C(=C\c3ccccc3F)C2=O)ccc1O ZINC000033590013 557415797 /nfs/dbraw/zinc/41/57/97/557415797.db2.gz JHMFFQRLSKJXOY-SXGWCWSVSA-N -1 0 430.413 3.295 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)c(Cl)c4)c=3c2=O)cc1 ZINC000103085886 557418393 /nfs/dbraw/zinc/41/83/93/557418393.db2.gz NFQHQQBXSJZMGN-SJORKVTESA-N -1 0 432.267 3.234 50 0 IGAARM COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc1OC ZINC000014097365 557424417 /nfs/dbraw/zinc/42/44/17/557424417.db2.gz ATWFUWMVOPSEJB-UHFFFAOYSA-N -1 0 430.276 3.274 50 0 IGAARM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000103541085 557438588 /nfs/dbraw/zinc/43/85/88/557438588.db2.gz CWZAIYDTMKZSQB-NSHDSACASA-N -1 0 432.343 3.346 50 0 IGAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Br ZINC000101271721 557514099 /nfs/dbraw/zinc/51/40/99/557514099.db2.gz PNUAKWVOWBVENA-HOTGVXAUSA-N -1 0 433.237 3.090 50 0 IGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(I)cc1C ZINC000058246358 557811849 /nfs/dbraw/zinc/81/18/49/557811849.db2.gz QXTWFTDLVRHRBN-UHFFFAOYSA-N -1 0 431.251 3.407 50 0 IGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Br)s1 ZINC000003253227 562933389 /nfs/dbraw/zinc/93/33/89/562933389.db2.gz DEGWHWSRCHVYET-UHFFFAOYSA-N -1 0 439.316 3.354 50 0 IGAARM C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002099146 562925759 /nfs/dbraw/zinc/92/57/59/562925759.db2.gz NRROIDLNDMOCRB-VFNWGFHPSA-N -1 0 435.476 3.251 50 0 IGAARM O=C1N[C@H](c2ccc(OC(F)F)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001095679 568658562 /nfs/dbraw/zinc/65/85/62/568658562.db2.gz HJOLEALZOFQPQQ-OZVIIMIRSA-N -1 0 436.358 3.453 50 0 IGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1OC ZINC000001099457 568659138 /nfs/dbraw/zinc/65/91/38/568659138.db2.gz SUHUNYJQXSHPAQ-UHFFFAOYSA-N -1 0 426.494 3.435 50 0 IGAARM C[C@H](c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1-c1ccccc1)N(C)C ZINC000003440546 568749580 /nfs/dbraw/zinc/74/95/80/568749580.db2.gz XBIQJZMJVPDNEO-CQSZACIVSA-N -1 0 425.514 3.319 50 0 IGAARM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)c(C)c1 ZINC000015720748 568811603 /nfs/dbraw/zinc/81/16/03/568811603.db2.gz KMHVUNQRBPNAHF-UHFFFAOYSA-N -1 0 427.507 3.357 50 0 IGAARM COc1ccc2[nH]c(C)c(CCNC(C)=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000575443599 568869583 /nfs/dbraw/zinc/86/95/83/568869583.db2.gz DKUJRLWTKMAWKG-QNGOZBTKSA-N -1 0 432.480 3.174 50 0 IGAARM CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000253487244 568903623 /nfs/dbraw/zinc/90/36/23/568903623.db2.gz HHOKJKXMUMDSCD-YTQUADARSA-N -1 0 444.532 3.319 50 0 IGAARM CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2C)C1=O ZINC000035829476 568927834 /nfs/dbraw/zinc/92/78/34/568927834.db2.gz STVXPBBOJPENDB-NDENLUEZSA-N -1 0 447.451 3.450 50 0 IGAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)c1 ZINC000064565387 568932273 /nfs/dbraw/zinc/93/22/73/568932273.db2.gz KSQMDVSBKOFKOX-QZTJIDSGSA-N -1 0 434.481 3.260 50 0 IGAARM CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000016690224 568938593 /nfs/dbraw/zinc/93/85/93/568938593.db2.gz IMTYTWALWLEOHD-INIZCTEOSA-N -1 0 433.509 3.061 50 0 IGAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 ZINC000036352775 569083920 /nfs/dbraw/zinc/08/39/20/569083920.db2.gz IAHWRGHOUDXRSI-CCWPHWCFSA-N -1 0 433.508 3.183 50 0 IGAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C(=O)[O-] ZINC000036360441 569086409 /nfs/dbraw/zinc/08/64/09/569086409.db2.gz MLRMPMMMLKMQIC-FQEVSTJZSA-N -1 0 427.888 3.478 50 0 IGAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1 ZINC000065097380 569103834 /nfs/dbraw/zinc/10/38/34/569103834.db2.gz PJSKYRUORWTGIH-UHFFFAOYSA-N -1 0 432.527 3.397 50 0 IGAARM COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc2c1C ZINC000002096780 569179262 /nfs/dbraw/zinc/17/92/62/569179262.db2.gz RVCDYKWYKJQSOS-SFHVURJKSA-N -1 0 443.883 3.426 50 0 IGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc4c(c(OC)c2)OCO4)CC(=O)N3)c1 ZINC000066087477 569205661 /nfs/dbraw/zinc/20/56/61/569205661.db2.gz PBRQSYIYZNRDFP-HNNXBMFYSA-N -1 0 436.420 3.396 50 0 IGAARM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1c(C)nn(Cc2ccccc2)c1C ZINC000253421678 569266960 /nfs/dbraw/zinc/26/69/60/569266960.db2.gz AUYLPLADGUMQKQ-NRFANRHFSA-N -1 0 445.516 3.270 50 0 IGAARM C[C@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)[O-])n32)C1 ZINC000002294204 569268114 /nfs/dbraw/zinc/26/81/14/569268114.db2.gz LOZVJRVUPKKQRY-NSHDSACASA-N -1 0 426.523 3.396 50 0 IGAARM O=C([O-])C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1cccs1 ZINC000095348435 569361483 /nfs/dbraw/zinc/36/14/83/569361483.db2.gz PPQZWVZDXFILCZ-SFHVURJKSA-N -1 0 433.489 3.452 50 0 IGAARM COc1ccc(OC)c(-c2cc(C(=O)N3CCC(n4cccc4C(=O)[O-])CC3)no2)c1 ZINC000095425315 569366050 /nfs/dbraw/zinc/36/60/50/569366050.db2.gz OWTYMAQZQFSFQW-UHFFFAOYSA-N -1 0 425.441 3.336 50 0 IGAARM CN(C)c1ccccc1[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000095451081 569367772 /nfs/dbraw/zinc/36/77/72/569367772.db2.gz HVTCXRPJADKBKC-UHFFFAOYSA-N -1 0 446.710 3.404 50 0 IGAARM C[C@@](NC(=O)CCCNC(=O)c1cccs1)(C(=O)[O-])c1cccc(Br)c1 ZINC000095463941 569370449 /nfs/dbraw/zinc/37/04/49/569370449.db2.gz UHIBDIBELJHDSN-SFHVURJKSA-N -1 0 439.331 3.137 50 0 IGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000095945181 569375822 /nfs/dbraw/zinc/37/58/22/569375822.db2.gz GDVVTLXKKGPHEF-SFHVURJKSA-N -1 0 442.468 3.264 50 0 IGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(OC)c3OC)C2)c(OC)c1 ZINC000095945193 569375826 /nfs/dbraw/zinc/37/58/26/569375826.db2.gz POOZQSKQAUMPQC-SFHVURJKSA-N -1 0 442.468 3.264 50 0 IGAARM Cc1nn(CCC(=O)[O-])c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1 ZINC000096118272 569384398 /nfs/dbraw/zinc/38/43/98/569384398.db2.gz OPXBQHXVUWXFTB-RDTXWAMCSA-N -1 0 447.561 3.481 50 0 IGAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)cc3)c2)cc1OC ZINC000021748613 569400676 /nfs/dbraw/zinc/40/06/76/569400676.db2.gz JUQRPKFJFCPQEF-UHFFFAOYSA-N -1 0 431.445 3.291 50 0 IGAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000057279466 569430429 /nfs/dbraw/zinc/43/04/29/569430429.db2.gz POFGZEDBPNKECX-UHFFFAOYSA-N -1 0 427.408 3.188 50 0 IGAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCCc1ccccc1Cl ZINC000002966769 569432963 /nfs/dbraw/zinc/43/29/63/569432963.db2.gz OATQTNYXLJONNV-QGZVFWFLSA-N -1 0 426.929 3.147 50 0 IGAARM C[C@@H](c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1-c1ccccc1)N(C)C ZINC000003440543 569451247 /nfs/dbraw/zinc/45/12/47/569451247.db2.gz XBIQJZMJVPDNEO-AWEZNQCLSA-N -1 0 425.514 3.319 50 0 IGAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004256381 569461492 /nfs/dbraw/zinc/46/14/92/569461492.db2.gz TZADSSAOJALDOM-LZGZYFLISA-N -1 0 448.585 3.117 50 0 IGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000008720254 569471586 /nfs/dbraw/zinc/47/15/86/569471586.db2.gz NTBZBLAMAGPLLN-UHFFFAOYSA-N -1 0 446.554 3.271 50 0 IGAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1Cl ZINC000039931223 569482015 /nfs/dbraw/zinc/48/20/15/569482015.db2.gz YQGAXKUYSYRSQL-UHFFFAOYSA-N -1 0 447.929 3.058 50 0 IGAARM COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc([N-]S(C)(=O)=O)nn32)cc1 ZINC000009089586 569500880 /nfs/dbraw/zinc/50/08/80/569500880.db2.gz HKEXXFDCHQAMLB-DLBZAZTESA-N -1 0 433.921 3.458 50 0 IGAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000009153251 569508027 /nfs/dbraw/zinc/50/80/27/569508027.db2.gz GUBQNRZUIRUQQT-UHFFFAOYSA-N -1 0 427.507 3.357 50 0 IGAARM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009222478 569512712 /nfs/dbraw/zinc/51/27/12/569512712.db2.gz HKRUVXQCGMPIKN-UHFFFAOYSA-N -1 0 430.461 3.213 50 0 IGAARM COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3nc([N-]S(C)(=O)=O)nc3N2)cc1 ZINC000009293148 569520179 /nfs/dbraw/zinc/52/01/79/569520179.db2.gz UYKFBDXGKJOPIB-DLBZAZTESA-N -1 0 433.921 3.458 50 0 IGAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1Br ZINC000009491662 569540423 /nfs/dbraw/zinc/54/04/23/569540423.db2.gz KNPBAFWOJJCRRG-UHFFFAOYSA-N -1 0 426.260 3.246 50 0 IGAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c(=O)n12 ZINC000009560753 569547090 /nfs/dbraw/zinc/54/70/90/569547090.db2.gz AKHVSKREXGCVLV-UHFFFAOYSA-N -1 0 428.333 3.245 50 0 IGAARM Cc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)CCCC(=O)[O-] ZINC000009673786 569558948 /nfs/dbraw/zinc/55/89/48/569558948.db2.gz PUXAZXXKJQCYSL-HXUWFJFHSA-N -1 0 443.525 3.299 50 0 IGAARM COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1OC ZINC000009833274 569570357 /nfs/dbraw/zinc/57/03/57/569570357.db2.gz IANOFGIXLFMBEJ-KEYYUXOJSA-N -1 0 446.472 3.034 50 0 IGAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000009837294 569570812 /nfs/dbraw/zinc/57/08/12/569570812.db2.gz PTGALOQGMXSYQG-UXHICEINSA-N -1 0 437.525 3.464 50 0 IGAARM CCN(CC)S(=O)(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000010515901 569582728 /nfs/dbraw/zinc/58/27/28/569582728.db2.gz GWPLBDGEPNXYEY-UHFFFAOYSA-N -1 0 432.514 3.413 50 0 IGAARM Cc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)n1 ZINC000032975552 569584438 /nfs/dbraw/zinc/58/44/38/569584438.db2.gz NPPAFBIRIPIJCB-QZTJIDSGSA-N -1 0 427.526 3.174 50 0 IGAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1Cl ZINC000009529582 132320634 /nfs/dbraw/zinc/32/06/34/132320634.db2.gz IWRFVXWJFYZIFA-UHFFFAOYSA-N -1 0 430.917 3.434 50 0 IGAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)s1 ZINC000009529579 132320654 /nfs/dbraw/zinc/32/06/54/132320654.db2.gz HOBMPUOKMFOYCH-UHFFFAOYSA-N -1 0 436.946 3.496 50 0 IGAARM CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)[O-] ZINC000012993209 132341520 /nfs/dbraw/zinc/34/15/20/132341520.db2.gz JZKXNGDAGDFJOI-IBGZPJMESA-N -1 0 430.526 3.057 50 0 IGAARM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(C)C)C(=O)[O-] ZINC000012884181 519390205 /nfs/dbraw/zinc/39/02/05/519390205.db2.gz BKTIFGYCAAAZOL-FPOVZHCZSA-N -1 0 436.508 3.268 50 0 IGAARM CC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022852421 519590977 /nfs/dbraw/zinc/59/09/77/519590977.db2.gz WEQRPTJZCCJMPI-SFHVURJKSA-N -1 0 437.525 3.318 50 0 IGAARM CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c3cc(C)ccc3C)cc2C[C@@H]1C ZINC000020945440 519639866 /nfs/dbraw/zinc/63/98/66/519639866.db2.gz LJXKNJIBZUPXKI-YWZLYKJASA-N -1 0 430.526 3.095 50 0 IGAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)OC)cc1OCC ZINC000012412231 521211210 /nfs/dbraw/zinc/21/12/10/521211210.db2.gz JWMUPWRCABMTRA-UHFFFAOYSA-N -1 0 439.486 3.089 50 0 IGAARM COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017098845 522307020 /nfs/dbraw/zinc/30/70/20/522307020.db2.gz YDSYHZIGQNPHIS-GHMZBOCLSA-N -1 0 434.495 3.454 50 0 IGAARM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)C1=O ZINC000012900034 523604758 /nfs/dbraw/zinc/60/47/58/523604758.db2.gz NDPDWDCYSZOOJZ-IBGZPJMESA-N -1 0 431.905 3.414 50 0 IGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)[n-]c2=O)cc1 ZINC000012348388 524168719 /nfs/dbraw/zinc/16/87/19/524168719.db2.gz ZNAUDIVKLHVMAJ-UHFFFAOYSA-N -1 0 448.451 3.097 50 0 IGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2ncn(Cc3ccccc3)c(=O)c2c1 ZINC000012371405 524325364 /nfs/dbraw/zinc/32/53/64/524325364.db2.gz RBKZYYXXAJTXPK-UHFFFAOYSA-N -1 0 439.468 3.393 50 0 IGAARM COc1ccc(NC(=O)CCn2nc(C)cc2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000022320862 524489604 /nfs/dbraw/zinc/48/96/04/524489604.db2.gz ZKHOSPBFGINAKQ-UHFFFAOYSA-N -1 0 446.504 3.477 50 0 IGAARM COc1ccc(NC(C)=O)cc1NC(=O)CCc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000012777959 524668963 /nfs/dbraw/zinc/66/89/63/524668963.db2.gz GTYKGJMULFWVTD-UHFFFAOYSA-N -1 0 426.448 3.151 50 0 IGAARM Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000020860933 525242165 /nfs/dbraw/zinc/24/21/65/525242165.db2.gz APHSGJDZTILKPT-UHFFFAOYSA-N -1 0 449.941 3.295 50 0 IGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000020648766 525952324 /nfs/dbraw/zinc/95/23/24/525952324.db2.gz PTZPDYXMFFGYBY-UHFFFAOYSA-N -1 0 442.899 3.474 50 0 IGAARM O=C([O-])[C@@H]1CS[C@H]2CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)N12 ZINC000014632705 526288934 /nfs/dbraw/zinc/28/89/34/526288934.db2.gz MWABBJIOTKTQFS-UFYCRDLUSA-N -1 0 438.505 3.042 50 0 IGAARM CCOC(=O)[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1Cl ZINC000001042276 555610035 /nfs/dbraw/zinc/61/00/35/555610035.db2.gz HINIBGVEDFGZFB-GFCCVEGCSA-N -1 0 443.905 3.488 50 0 IGAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 ZINC000001121407 555638255 /nfs/dbraw/zinc/63/82/55/555638255.db2.gz QJRCXJRTMXAUHA-UHFFFAOYSA-N -1 0 447.973 3.460 50 0 IGAARM CCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)ccc2n1Cc1ccccc1 ZINC000001543374 555702866 /nfs/dbraw/zinc/70/28/66/555702866.db2.gz OPWQYOUZRHDKBR-UHFFFAOYSA-N -1 0 430.441 3.226 50 0 in-vitro IGAARM O=C([O-])CCCC(=O)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccccc2)N1 ZINC000001902170 555723588 /nfs/dbraw/zinc/72/35/88/555723588.db2.gz UCMBQWRUNNXRKS-GOSISDBHSA-N -1 0 437.887 3.339 50 0 IGAARM COc1cccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1OCC(=O)[O-] ZINC000002978137 555870600 /nfs/dbraw/zinc/87/06/00/555870600.db2.gz JAGYBJSNTPCKJL-GOSISDBHSA-N -1 0 426.454 3.236 50 0 IGAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1Cl ZINC000003223893 555902595 /nfs/dbraw/zinc/90/25/95/555902595.db2.gz NVJGBPYMAFTNGX-UHFFFAOYSA-N -1 0 437.642 3.444 50 0 IGAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCCOc1ccccc1 ZINC000034767597 555907201 /nfs/dbraw/zinc/90/72/01/555907201.db2.gz FPGIUTARHKSVFI-UHFFFAOYSA-N -1 0 432.402 3.391 50 0 IGAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000006267548 556082945 /nfs/dbraw/zinc/08/29/45/556082945.db2.gz HLWTYYWDQPIMSB-UHFFFAOYSA-N -1 0 433.313 3.179 50 0 IGAARM O=C([O-])Cn1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c2ccccc21 ZINC000006475165 556090726 /nfs/dbraw/zinc/09/07/26/556090726.db2.gz XEZUEAOOCKGULG-WOJGMQOQSA-N -1 0 441.509 3.165 50 0 IGAARM Cn1cc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c(C(=O)[O-])n1 ZINC000002807860 556146345 /nfs/dbraw/zinc/14/63/45/556146345.db2.gz HYJYKBIATHKTFD-UHFFFAOYSA-N -1 0 436.375 3.161 50 0 IGAARM CC(C)CCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975392 556153249 /nfs/dbraw/zinc/15/32/49/556153249.db2.gz YIYKQJDWQVYKLH-UHFFFAOYSA-N -1 0 425.510 3.238 50 0 IGAARM CCOc1cc(CO)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000008429984 556170235 /nfs/dbraw/zinc/17/02/35/556170235.db2.gz LEZNIGFTXVRLBW-UHFFFAOYSA-N -1 0 428.222 3.459 50 0 IGAARM COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)c1 ZINC000009371594 556286104 /nfs/dbraw/zinc/28/61/04/556286104.db2.gz BKHLYHAQLLOKJL-UHFFFAOYSA-N -1 0 446.415 3.455 50 0 IGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)N4CCSCC4)cc3s2)cc1 ZINC000013722380 556290963 /nfs/dbraw/zinc/29/09/63/556290963.db2.gz JUJNEBIEEFSSBV-UHFFFAOYSA-N -1 0 449.579 3.295 50 0 IGAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)c1 ZINC000009748235 556307977 /nfs/dbraw/zinc/30/79/77/556307977.db2.gz VZDDQUPOQHLSOX-MOPGFXCFSA-N -1 0 425.876 3.197 50 0 IGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)N1CCc2ccccc2C1 ZINC000009817554 556309355 /nfs/dbraw/zinc/30/93/55/556309355.db2.gz PMKOFQXOIPTWLZ-UHFFFAOYSA-N -1 0 431.514 3.210 50 0 IGAARM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)cc1 ZINC000010272743 556328768 /nfs/dbraw/zinc/32/87/68/556328768.db2.gz LQTDYLAMCKJWCK-UHFFFAOYSA-N -1 0 449.941 3.295 50 0 IGAARM CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013896662 556329642 /nfs/dbraw/zinc/32/96/42/556329642.db2.gz ZYACHHZGARHXCO-UHFFFAOYSA-N -1 0 430.526 3.211 50 0 IGAARM O=C([O-])COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000014010226 556354804 /nfs/dbraw/zinc/35/48/04/556354804.db2.gz COKCTXHWRGOIAF-OVCLIPMQSA-N -1 0 449.232 3.145 50 0 IGAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1)[C@H]1CCCO1 ZINC000030531741 556497299 /nfs/dbraw/zinc/49/72/99/556497299.db2.gz ASXVCWPOJRUBDP-OAHLLOKOSA-N -1 0 425.304 3.367 50 0 IGAARM O=C1N[C@H](c2ccccc2OC(F)F)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000013304145 556501996 /nfs/dbraw/zinc/50/19/96/556501996.db2.gz WOPTXHNOWJOMAX-XHBSWPGZSA-N -1 0 436.358 3.453 50 0 IGAARM Cc1ccc(C)c(-n2cnnc2SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000013398159 556504298 /nfs/dbraw/zinc/50/42/98/556504298.db2.gz GVAPMBOVIRQZLW-IBGZPJMESA-N -1 0 449.536 3.270 50 0 IGAARM CC(C)c1nnc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1C1CC1 ZINC000013408039 556504960 /nfs/dbraw/zinc/50/49/60/556504960.db2.gz DMGPONKZAJUMCE-KRWDZBQOSA-N -1 0 427.530 3.122 50 0 IGAARM Cc1nnc(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1C1CCCCC1 ZINC000013409284 556505245 /nfs/dbraw/zinc/50/52/45/556505245.db2.gz XZZMJUAGBKXNFD-LJQANCHMSA-N -1 0 441.557 3.477 50 0 IGAARM Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)o1 ZINC000013607604 556533599 /nfs/dbraw/zinc/53/35/99/556533599.db2.gz ALSLQNZBTVLJHC-AWEZNQCLSA-N -1 0 433.251 3.370 50 0 IGAARM CN(c1ccccc1)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000032905338 556548495 /nfs/dbraw/zinc/54/84/95/556548495.db2.gz FNCPIOPCLQPYOI-UHFFFAOYSA-N -1 0 437.930 3.361 50 0 IGAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(OC)n1 ZINC000001436389 556574852 /nfs/dbraw/zinc/57/48/52/556574852.db2.gz ILWSPHLJYOWJNU-UHFFFAOYSA-N -1 0 448.888 3.200 50 0 IGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 ZINC000017070395 556655180 /nfs/dbraw/zinc/65/51/80/556655180.db2.gz 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/nfs/dbraw/zinc/18/70/18/569187018.db2.gz KKNOFXFXJSMTPD-BTYIYWSLSA-N -1 0 448.475 3.471 50 0 IGAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000002155746 569187598 /nfs/dbraw/zinc/18/75/98/569187598.db2.gz GSJZVGYNVNYHGE-SFHVURJKSA-N -1 0 429.856 3.205 50 0 IGAARM O=C(CC[N-]S(=O)(=O)c1c(F)cccc1F)NCc1ccnc(-c2cccs2)c1 ZINC000252551760 569191015 /nfs/dbraw/zinc/19/10/15/569191015.db2.gz UGRSJSDTJAXLQI-UHFFFAOYSA-N -1 0 437.493 3.073 50 0 IGAARM C[C@](Cc1ccccc1)(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)C(=O)[O-] ZINC000170671871 569194708 /nfs/dbraw/zinc/19/47/08/569194708.db2.gz ZSNDGMOOGSHVPJ-RUZDIDTESA-N -1 0 427.460 3.202 50 0 IGAARM CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)cc2)C1=O ZINC000009259829 569294979 /nfs/dbraw/zinc/29/49/79/569294979.db2.gz ZUTFVRIDYPYQPX-CXUHLZMHSA-N -1 0 431.422 3.156 50 0 IGAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 ZINC000013120863 569311139 /nfs/dbraw/zinc/31/11/39/569311139.db2.gz 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CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000095983218 569377872 /nfs/dbraw/zinc/37/78/72/569377872.db2.gz NXJJRSJDIOALAN-UHFFFAOYSA-N -1 0 431.297 3.209 50 0 IGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccncc2N(C)C)c1 ZINC000096013637 569380309 /nfs/dbraw/zinc/38/03/09/569380309.db2.gz JFILOEDYUHBQOD-UHFFFAOYSA-N -1 0 426.498 3.209 50 0 IGAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(F)c3)c2)cc1OC ZINC000021748610 569400614 /nfs/dbraw/zinc/40/06/14/569400614.db2.gz CETTWTHSXRLWRV-UHFFFAOYSA-N -1 0 431.445 3.291 50 0 IGAARM COc1ccccc1CNC(=O)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000021748440 569400628 /nfs/dbraw/zinc/40/06/28/569400628.db2.gz PXYKBGUCEANCCO-UHFFFAOYSA-N -1 0 431.901 3.474 50 0 IGAARM CCS(=O)(=O)N1CCC(c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)CC1 ZINC000002731061 569419418 /nfs/dbraw/zinc/41/94/18/569419418.db2.gz QKQIAZFSWMMRCE-UHFFFAOYSA-N -1 0 432.575 3.056 50 0 IGAARM Cn1cc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C(=O)[O-])n1 ZINC000002806276 569422789 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ZINC000009635101 569554547 /nfs/dbraw/zinc/55/45/47/569554547.db2.gz BIFHBYUCXJJRCS-LLVKDONJSA-N -1 0 445.324 3.399 50 0 IGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1C ZINC000009675423 569559283 /nfs/dbraw/zinc/55/92/83/569559283.db2.gz TYYGUNIFLYQHBP-MSOLQXFVSA-N -1 0 429.839 3.028 50 0 IGAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000009675407 569559297 /nfs/dbraw/zinc/55/92/97/569559297.db2.gz VUYUPVKTSXOINT-ROUUACIJSA-N -1 0 429.839 3.028 50 0 IGAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000009675409 569559301 /nfs/dbraw/zinc/55/93/01/569559301.db2.gz VUYUPVKTSXOINT-MSOLQXFVSA-N -1 0 429.839 3.028 50 0 IGAARM COc1ccccc1CNC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000009828567 569569717 /nfs/dbraw/zinc/56/97/17/569569717.db2.gz GSZSVRKZVPFTCC-UHFFFAOYSA-N -1 0 431.539 3.120 50 0 IGAARM COc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c(OC)c1 ZINC000009828724 569569850 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556124687 /nfs/dbraw/zinc/12/46/87/556124687.db2.gz ZRFLSWATIUACIA-UHFFFAOYSA-N -1 0 425.495 3.448 50 0 IGAARM O=c1[nH]cnc2c1cnn2-c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000032833809 556417835 /nfs/dbraw/zinc/41/78/35/556417835.db2.gz HHHCPTXLCPBMSO-UHFFFAOYSA-N -1 0 436.280 3.216 50 0 IGAARM O=C([O-])CCCCCCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012998805 556432255 /nfs/dbraw/zinc/43/22/55/556432255.db2.gz LZNPUVLCSKEDDI-UHFFFAOYSA-N -1 0 430.526 3.203 50 0 IGAARM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2csc(-c3cccs3)n2)C1=O ZINC000013114594 556467114 /nfs/dbraw/zinc/46/71/14/556467114.db2.gz JGCFFPTXPYSPQJ-FQEVSTJZSA-N -1 0 426.523 3.460 50 0 IGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccccc2F)o1 ZINC000013394211 556504247 /nfs/dbraw/zinc/50/42/47/556504247.db2.gz BGMFARFNUFDJAI-KRWDZBQOSA-N -1 0 440.456 3.261 50 0 IGAARM Cc1nnc(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1-c1ccccc1C ZINC000013410236 556505117 /nfs/dbraw/zinc/50/51/17/556505117.db2.gz 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3.295 50 0 IGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CCc2cccnc2)c1 ZINC000022196831 524646186 /nfs/dbraw/zinc/64/61/86/524646186.db2.gz YUMDALZQOMQLGE-UHFFFAOYSA-N -1 0 427.482 3.168 50 0 IGAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c(OC)c1 ZINC000021155797 524682620 /nfs/dbraw/zinc/68/26/20/524682620.db2.gz BKUMHLAFQJUYIK-UHFFFAOYSA-N -1 0 449.573 3.332 50 0 IGAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000012583683 525247603 /nfs/dbraw/zinc/24/76/03/525247603.db2.gz DWCQEGNMKYOGBK-UHFFFAOYSA-N -1 0 444.534 3.452 50 0 IGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1nc(CC(=O)[O-])cs1)OC(C)(C)CC3 ZINC000012898472 525962715 /nfs/dbraw/zinc/96/27/15/525962715.db2.gz MSXDWIORZKIGRH-UHFFFAOYSA-N -1 0 442.493 3.470 50 0 IGAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)OCCCO2 ZINC000012507867 526356372 /nfs/dbraw/zinc/35/63/72/526356372.db2.gz VSKLIIDVZFRUMO-UHFFFAOYSA-N -1 0 428.260 3.109 50 0 IGAARM 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555697636 /nfs/dbraw/zinc/69/76/36/555697636.db2.gz ZMHHVBOLMQTQOO-NRFANRHFSA-N -1 0 439.493 3.164 50 0 IGAARM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(CCNC(=O)c3cccc(C)c3)cc2)c1 ZINC000002729445 555803766 /nfs/dbraw/zinc/80/37/66/555803766.db2.gz QTBYCKWHLUCOGO-UHFFFAOYSA-N -1 0 436.533 3.395 50 0 IGAARM Cc1ccc(C(=O)N/C(=C/c2cccc(Br)c2)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000002982483 555872783 /nfs/dbraw/zinc/87/27/83/555872783.db2.gz JXMBVQRCLNQJBK-HNEYUBDGSA-N -1 0 431.286 3.118 50 0 IGAARM CN(c1ccccc1)S(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000034878715 555926369 /nfs/dbraw/zinc/92/63/69/555926369.db2.gz FKYKOPHXNYQKIG-UHFFFAOYSA-N -1 0 446.506 3.011 50 0 IGAARM O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000004147396 555968223 /nfs/dbraw/zinc/96/82/23/555968223.db2.gz MHVUSWYJUWBTTL-UHFFFAOYSA-N -1 0 439.522 3.490 50 0 IGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3F)cc2)n1 ZINC000006229108 556081209 /nfs/dbraw/zinc/08/12/09/556081209.db2.gz AHNFHGGCLUIVBR-OAHLLOKOSA-N -1 0 444.488 3.439 50 0 IGAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000006278441 556083583 /nfs/dbraw/zinc/08/35/83/556083583.db2.gz SYXUNTBQNINHFO-NRFANRHFSA-N -1 0 433.493 3.331 50 0 IGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)n1 ZINC000002375989 556085858 /nfs/dbraw/zinc/08/58/58/556085858.db2.gz WHUDYALZEINCLE-UHFFFAOYSA-N -1 0 447.567 3.083 50 0 IGAARM CCn1cc(Br)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCC4)n1 ZINC000002780265 556141570 /nfs/dbraw/zinc/14/15/70/556141570.db2.gz VILCSXMTFHUUSI-UHFFFAOYSA-N -1 0 436.335 3.008 50 0 IGAARM C[C@H](NC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000097636049 556283750 /nfs/dbraw/zinc/28/37/50/556283750.db2.gz DCONTFWMLQGMQY-JMGOCYTASA-N -1 0 443.297 3.366 50 0 IGAARM O=C([O-])c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013803744 556310931 /nfs/dbraw/zinc/31/09/31/556310931.db2.gz RGYDKIXXTXIIGP-BDTNDASRSA-N -1 0 428.444 3.432 50 0 IGAARM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1OC ZINC000009861235 556314610 /nfs/dbraw/zinc/31/46/10/556314610.db2.gz KBBGSJCWGJHTHC-UHFFFAOYSA-N -1 0 445.497 3.291 50 0 IGAARM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)cc1 ZINC000032755170 556324399 /nfs/dbraw/zinc/32/43/99/556324399.db2.gz XVZKVOZNGFWRPK-UHFFFAOYSA-N -1 0 431.539 3.448 50 0 IGAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)C1 ZINC000013949249 556344191 /nfs/dbraw/zinc/34/41/91/556344191.db2.gz JWQFVHYTQHSGEP-ZIAGYGMSSA-N -1 0 444.525 3.432 50 0 IGAARM COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(C)cc1)CN(C(=O)C(C)C)CC2 ZINC000011912322 556375332 /nfs/dbraw/zinc/37/53/32/556375332.db2.gz QDTCQQZUGGQJCF-UHFFFAOYSA-N -1 0 436.555 3.185 50 0 IGAARM O=C([O-])CCCC[C@@H]1SC[C@H](NC(=O)c2ccccc2)[C@@H]1NC(=O)c1ccccc1 ZINC000014987566 556473363 /nfs/dbraw/zinc/47/33/63/556473363.db2.gz DOBCSAZFJKTPFM-ZJOUEHCJSA-N -1 0 426.538 3.344 50 0 IGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000013236537 556500402 /nfs/dbraw/zinc/50/04/02/556500402.db2.gz UXUWHMVZHHKQTL-GOSISDBHSA-N -1 0 443.887 3.478 50 0 IGAARM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cn1 ZINC000072292870 556502608 /nfs/dbraw/zinc/50/26/08/556502608.db2.gz VRJHQBWHVQJROX-UHFFFAOYSA-N -1 0 446.916 3.462 50 0 IGAARM O=C(CCn1cncn1)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000032898762 556516779 /nfs/dbraw/zinc/51/67/79/556516779.db2.gz YHBKKPIDLJQPGN-UHFFFAOYSA-N -1 0 440.312 3.415 50 0 IGAARM CSCC[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000013591097 556529296 /nfs/dbraw/zinc/52/92/96/556529296.db2.gz NABAVBVKPDPDKE-QGZVFWFLSA-N -1 0 436.574 3.278 50 0 IGAARM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(C(=O)OC)c1C ZINC000032901282 556534679 /nfs/dbraw/zinc/53/46/79/556534679.db2.gz JNZGAXCNVOGWEO-UWVGGRQHSA-N -1 0 443.465 3.029 50 0 IGAARM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC1 ZINC000033115462 556555543 /nfs/dbraw/zinc/55/55/43/556555543.db2.gz FXKHMNPUOSJZNZ-UHFFFAOYSA-N -1 0 429.361 3.479 50 0 IGAARM O=C([O-])CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1 ZINC000016115306 556583914 /nfs/dbraw/zinc/58/39/14/556583914.db2.gz HBHPIMKDJNRTAN-OQLLNIDSSA-N -1 0 437.677 3.074 50 0 IGAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000011795874 556656949 /nfs/dbraw/zinc/65/69/49/556656949.db2.gz ISIWGNDFTMEKKG-QGZVFWFLSA-N -1 0 431.539 3.019 50 0 IGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O ZINC000100732758 556658830 /nfs/dbraw/zinc/65/88/30/556658830.db2.gz RMNREUCLOBZXQL-UHFFFAOYSA-N -1 0 432.480 3.167 50 0 IGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 ZINC000019647829 556840890 /nfs/dbraw/zinc/84/08/90/556840890.db2.gz WUFSLBMWXOMVRL-RTWAWAEBSA-N -1 0 448.585 3.090 50 0 IGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000097151783 556993010 /nfs/dbraw/zinc/99/30/10/556993010.db2.gz UUXQZMPCMCPXHW-UHFFFAOYSA-N -1 0 436.440 3.293 50 0 IGAARM Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(F)c3)[n-]c2=O)cc1C ZINC000020355872 557010022 /nfs/dbraw/zinc/01/00/22/557010022.db2.gz YPQDSYCVSJEYIP-UHFFFAOYSA-N -1 0 447.513 3.089 50 0 IGAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000023156967 557029820 /nfs/dbraw/zinc/02/98/20/557029820.db2.gz IGLJQMQODZMDDE-OAHLLOKOSA-N -1 0 435.937 3.322 50 0 IGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(O)c(OC)c2)CC(=O)N3)c1 ZINC000049543419 557110604 /nfs/dbraw/zinc/11/06/04/557110604.db2.gz DYQATDHYAXNNBK-AWEZNQCLSA-N -1 0 438.436 3.381 50 0 IGAARM CC(=O)c1nn(-c2cccc(C)c2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100892215 557198571 /nfs/dbraw/zinc/19/85/71/557198571.db2.gz YPSNHKWROGBUBO-SJLPKXTDSA-N -1 0 426.270 3.081 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1F ZINC000101083661 557231623 /nfs/dbraw/zinc/23/16/23/557231623.db2.gz XWLLAGYSRHEWSQ-ZWKOTPCHSA-N -1 0 429.839 3.028 50 0 IGAARM Cc1ccc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000101083660 557231637 /nfs/dbraw/zinc/23/16/37/557231637.db2.gz VQXYRBRLTCWUPU-OALUTQOASA-N -1 0 425.876 3.197 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1Cl ZINC000100036744 557238549 /nfs/dbraw/zinc/23/85/49/557238549.db2.gz SMDVEBCKRXXUSW-IRXDYDNUSA-N -1 0 432.267 3.234 50 0 IGAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000100036769 557238580 /nfs/dbraw/zinc/23/85/80/557238580.db2.gz YQTAQDZGZZYUDI-QZTJIDSGSA-N -1 0 443.916 3.302 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1Cl ZINC000100036747 557238616 /nfs/dbraw/zinc/23/86/16/557238616.db2.gz SMDVEBCKRXXUSW-DLBZAZTESA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1Cl ZINC000100036742 557238618 /nfs/dbraw/zinc/23/86/18/557238618.db2.gz JCGRBLDRRFWGQQ-SJORKVTESA-N -1 0 432.267 3.234 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)cc1F ZINC000101262467 557265730 /nfs/dbraw/zinc/26/57/30/557265730.db2.gz GNFSHBYXGHMDAH-DLBZAZTESA-N -1 0 440.822 3.331 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(Cl)cc4)no3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101270980 557268952 /nfs/dbraw/zinc/26/89/52/557268952.db2.gz VDNAEUFUBRBKJS-HZPDHXFCSA-N -1 0 426.795 3.023 50 0 IGAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)cc1 ZINC000101272717 557268977 /nfs/dbraw/zinc/26/89/77/557268977.db2.gz QSYRDMZVSCOYIV-WOJBJXKFSA-N -1 0 446.467 3.246 50 0 IGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000013029444 557271777 /nfs/dbraw/zinc/27/17/77/557271777.db2.gz ZJSAFGUTFLNVJT-UHFFFAOYSA-N -1 0 428.260 3.028 50 0 IGAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000101455773 557286363 /nfs/dbraw/zinc/28/63/63/557286363.db2.gz WZDFNPVQFGADRJ-OAHLLOKOSA-N -1 0 446.529 3.126 50 0 IGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)cc1OC ZINC000101836165 557302746 /nfs/dbraw/zinc/30/27/46/557302746.db2.gz NLVCJBLNWGTEJR-QGZVFWFLSA-N -1 0 438.415 3.275 50 0 IGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101893194 557306074 /nfs/dbraw/zinc/30/60/74/557306074.db2.gz HYGYVIUSUQRHMJ-IRXDYDNUSA-N -1 0 440.822 3.331 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4cccc(Cl)c4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101893005 557306085 /nfs/dbraw/zinc/30/60/85/557306085.db2.gz LBJJAPGSTHUVAU-RBUKOAKNSA-N -1 0 448.870 3.372 50 0 IGAARM O=C([O-])c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102760533 557385152 /nfs/dbraw/zinc/38/51/52/557385152.db2.gz RGYDKIXXTXIIGP-BHDDXSALSA-N -1 0 428.444 3.432 50 0 IGAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Br ZINC000101271718 557514049 /nfs/dbraw/zinc/51/40/49/557514049.db2.gz PNUAKWVOWBVENA-JKSUJKDBSA-N -1 0 433.237 3.090 50 0 IGAARM 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ZINC000000683099 555538537 /nfs/dbraw/zinc/53/85/37/555538537.db2.gz KUUYOKJALJYHDU-MRXNPFEDSA-N -1 0 426.498 3.300 50 0 IGAARM CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000000790685 555557062 /nfs/dbraw/zinc/55/70/62/555557062.db2.gz IOJCZLFTUWEBBW-UHFFFAOYSA-N -1 0 440.525 3.474 50 0 IGAARM O=C([O-])c1cccc(-n2nnnc2SCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000001060843 555616126 /nfs/dbraw/zinc/61/61/26/555616126.db2.gz FVZYQZTVWVWUAB-UHFFFAOYSA-N -1 0 445.504 3.358 50 0 IGAARM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1C ZINC000001130534 555644305 /nfs/dbraw/zinc/64/43/05/555644305.db2.gz BEVCFACFTDRBRL-INIZCTEOSA-N -1 0 426.498 3.300 50 0 IGAARM CCSc1nnc(NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c2ccc(OC)cc2)s1 ZINC000002758311 555811847 /nfs/dbraw/zinc/81/18/47/555811847.db2.gz AUBUIMVFQFZXBV-NSHDSACASA-N -1 0 434.465 3.407 50 0 IGAARM COc1ccc(CCNC(=O)CCc2nnc(-c3cccc(OC(C)C)c3)[n-]c2=O)cc1 ZINC000034764491 555905998 /nfs/dbraw/zinc/90/59/98/555905998.db2.gz 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CCc1c([O-])nc(SCC(=O)Nc2nnc(CC(C)C)s2)n(-c2ccccc2)c1=O ZINC000010034988 556322726 /nfs/dbraw/zinc/32/27/26/556322726.db2.gz RYLLVOPICVHDRX-UHFFFAOYSA-N -1 0 445.570 3.281 50 0 IGAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1)[C@@H]1CCCO1 ZINC000030531739 556497282 /nfs/dbraw/zinc/49/72/82/556497282.db2.gz ASXVCWPOJRUBDP-HNNXBMFYSA-N -1 0 425.304 3.367 50 0 IGAARM CCOc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cc1OCC ZINC000013186607 556498689 /nfs/dbraw/zinc/49/86/89/556498689.db2.gz ZFBGGNGVCJNJAQ-UHFFFAOYSA-N -1 0 437.470 3.144 50 0 IGAARM CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000030948428 556517558 /nfs/dbraw/zinc/51/75/58/556517558.db2.gz FMKLJZSLMOBAPN-UHFFFAOYSA-N -1 0 439.497 3.268 50 0 IGAARM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)OC)c1C ZINC000032901279 556534729 /nfs/dbraw/zinc/53/47/29/556534729.db2.gz JNZGAXCNVOGWEO-NXEZZACHSA-N -1 0 443.465 3.029 50 0 IGAARM Cc1nn(C)c2[n-]c(C(=O)NCC3(c4ccc(Cl)cc4Cl)CCOCC3)cc(=O)c12 ZINC000072307106 556561226 /nfs/dbraw/zinc/56/12/26/556561226.db2.gz ZEBGMAYSQSAFGO-UHFFFAOYSA-N -1 0 449.338 3.355 50 0 IGAARM O=C(CSc1nnc(Cc2ccccc2Cl)c(=O)[n-]1)Nc1ccc2c(c1)OCO2 ZINC000016777170 556640439 /nfs/dbraw/zinc/64/04/39/556640439.db2.gz JLFQZEKVRPHOQF-UHFFFAOYSA-N -1 0 430.873 3.281 50 0 IGAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000011795876 556656939 /nfs/dbraw/zinc/65/69/39/556656939.db2.gz ZWELMENLUVEFJZ-GOSISDBHSA-N -1 0 445.566 3.327 50 0 IGAARM CCOC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325471 556723691 /nfs/dbraw/zinc/72/36/91/556723691.db2.gz HZHONRPBOBQFCS-MRXNPFEDSA-N -1 0 434.448 3.169 50 0 IGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000019644967 556839445 /nfs/dbraw/zinc/83/94/45/556839445.db2.gz INOGNAOBZREAQB-JOCCRWCTSA-N -1 0 446.569 3.175 50 0 IGAARM Nc1nn(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)c2ccc(F)cc12 ZINC000071760081 556887519 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DYQATDHYAXNNBK-CQSZACIVSA-N -1 0 438.436 3.381 50 0 IGAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cccc(I)c2)c1 ZINC000001158895 557119265 /nfs/dbraw/zinc/11/92/65/557119265.db2.gz WJYXKBHJIJLBSF-UHFFFAOYSA-N -1 0 426.235 3.116 50 0 IGAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccccc1I ZINC000002999036 557134821 /nfs/dbraw/zinc/13/48/21/557134821.db2.gz YPVDJCJKQQWVFI-UHFFFAOYSA-N -1 0 426.235 3.116 50 0 IGAARM O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000024239755 557141720 /nfs/dbraw/zinc/14/17/20/557141720.db2.gz HAVFBJXOHJIRGZ-UHFFFAOYSA-N -1 0 441.494 3.175 50 0 IGAARM CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1OC ZINC000011614588 557209897 /nfs/dbraw/zinc/20/98/97/557209897.db2.gz VGDWHUJBLWFUFO-RLFYNMQTSA-N -1 0 444.431 3.259 50 0 IGAARM CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(CC)c1=O ZINC000100551409 557264265 /nfs/dbraw/zinc/26/42/65/557264265.db2.gz CHVZZCKLGNNONF-UHFFFAOYSA-N -1 0 432.480 3.163 50 0 IGAARM CCOC(=O)Cc1csc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)n1 ZINC000100564261 557264768 /nfs/dbraw/zinc/26/47/68/557264768.db2.gz UPSLVUGVWKDTJR-UHFFFAOYSA-N -1 0 429.498 3.178 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(Cl)cc4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262381 557265485 /nfs/dbraw/zinc/26/54/85/557265485.db2.gz AJLHNRCEVGHTCG-OALUTQOASA-N -1 0 448.870 3.372 50 0 IGAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl ZINC000101388058 557282361 /nfs/dbraw/zinc/28/23/61/557282361.db2.gz PIHNVOUTQUBKDI-JKSUJKDBSA-N -1 0 436.230 3.064 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(Cl)c1 ZINC000101416351 557284692 /nfs/dbraw/zinc/28/46/92/557284692.db2.gz CPSAPCHORIWKHC-SJORKVTESA-N -1 0 432.267 3.234 50 0 IGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000013112414 557296170 /nfs/dbraw/zinc/29/61/70/557296170.db2.gz VFDHOBFFUPPDRC-UHFFFAOYSA-N -1 0 443.506 3.078 50 0 IGAARM 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557528838 /nfs/dbraw/zinc/52/88/38/557528838.db2.gz CQSJMUOXCCVRQM-SFQUDFHCSA-N -1 0 433.386 3.361 50 0 IGAARM COc1ccc(C2C(=O)C(=O)N(c3nnn[n-]3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000045928571 557550558 /nfs/dbraw/zinc/55/05/58/557550558.db2.gz IQIAPRJKVBHSRQ-OAHLLOKOSA-N -1 0 428.246 3.028 50 0 IGAARM Cc1cc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002094842 562925790 /nfs/dbraw/zinc/92/57/90/562925790.db2.gz VKTUYBSQXRKYRL-IBGZPJMESA-N -1 0 448.475 3.390 50 0 IGAARM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccon2)cc1OCC(=O)NC1CCCCC1 ZINC000002850323 562930265 /nfs/dbraw/zinc/93/02/65/562930265.db2.gz SMLBGJZOGTWCAW-UHFFFAOYSA-N -1 0 427.910 3.265 50 0 IGAARM CCCn1c(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2[n-]c1=S ZINC000003043895 562932088 /nfs/dbraw/zinc/93/20/88/562932088.db2.gz KPBLBYVXMAFSRE-UHFFFAOYSA-N -1 0 426.517 3.197 50 0 IGAARM CC(C)c1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)s1 ZINC000008613847 562959432 /nfs/dbraw/zinc/95/94/32/562959432.db2.gz 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50 0 IGAARM CS(=O)(=O)[N-]c1nc(CC(=O)N(Cc2cccs2)Cc2cccs2)cs1 ZINC000037143325 563095816 /nfs/dbraw/zinc/09/58/16/563095816.db2.gz GHDNOHFLGVNGBH-UHFFFAOYSA-N -1 0 427.598 3.409 50 0 IGAARM O=C1COc2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)c(Br)cc2N1 ZINC000031666156 568741367 /nfs/dbraw/zinc/74/13/67/568741367.db2.gz WBNFIWGEFBYDGC-UHFFFAOYSA-N -1 0 449.229 3.182 50 0 IGAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000003622996 568751770 /nfs/dbraw/zinc/75/17/70/568751770.db2.gz MJCCLXDEGPTZKL-OAHLLOKOSA-N -1 0 433.457 3.066 50 0 IGAARM COc1cc(Br)c(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])cc1OC ZINC000083919948 568786123 /nfs/dbraw/zinc/78/61/23/568786123.db2.gz DVKMQQONAGMISQ-UHFFFAOYSA-N -1 0 434.239 3.104 50 0 IGAARM COc1ccccc1CNC(C)=C1C(=O)[N-]C(=O)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000001407378 568787024 /nfs/dbraw/zinc/78/70/24/568787024.db2.gz HIKHTIDRYXNBFJ-SFQUDFHCSA-N -1 0 433.386 3.361 50 0 IGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720810 568811807 /nfs/dbraw/zinc/81/18/07/568811807.db2.gz NNUZCVZQSSBAPF-UHFFFAOYSA-N -1 0 443.506 3.057 50 0 IGAARM C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006299007 568882613 /nfs/dbraw/zinc/88/26/13/568882613.db2.gz UMFVXMBPOLQHJB-CQSZACIVSA-N -1 0 425.539 3.425 50 0 IGAARM C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238900825 568910273 /nfs/dbraw/zinc/91/02/73/568910273.db2.gz KHZBGCXATFJJRM-JYJNAYRXSA-N -1 0 427.497 3.446 50 0 IGAARM CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1OC ZINC000238937423 568910451 /nfs/dbraw/zinc/91/04/51/568910451.db2.gz VGDWHUJBLWFUFO-RVKKMQEKSA-N -1 0 444.431 3.259 50 0 IGAARM COCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2c(F)cccc2F)C1=O ZINC000035829502 568927987 /nfs/dbraw/zinc/92/79/87/568927987.db2.gz LZBBPTSVRYNJCN-ZDLGFXPLSA-N -1 0 440.406 3.095 50 0 IGAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)CC1 ZINC000016690231 568938533 /nfs/dbraw/zinc/93/85/33/568938533.db2.gz UUHAQXNSOWUFIM-GOSISDBHSA-N -1 0 443.573 3.485 50 0 IGAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000064774850 568954193 /nfs/dbraw/zinc/95/41/93/568954193.db2.gz HPPQKFAFZZYIBN-UHFFFAOYSA-N -1 0 427.461 3.381 50 0 IGAARM COc1cc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc(OC)c1OC ZINC000064947288 568995090 /nfs/dbraw/zinc/99/50/90/568995090.db2.gz POXYTSXXXPONMU-UHFFFAOYSA-N -1 0 435.477 3.455 50 0 IGAARM COc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cs2)c1OC ZINC000036358981 569085470 /nfs/dbraw/zinc/08/54/70/569085470.db2.gz ZTEAPRDBWLLMHX-KRWDZBQOSA-N -1 0 426.494 3.182 50 0 IGAARM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000065097682 569103995 /nfs/dbraw/zinc/10/39/95/569103995.db2.gz GLPKSMDJSOBVRO-UHFFFAOYSA-N -1 0 432.527 3.452 50 0 IGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)ccc1C ZINC000065318890 569134506 /nfs/dbraw/zinc/13/45/06/569134506.db2.gz RWCUZIPATVZLKS-UHFFFAOYSA-N -1 0 442.497 3.090 50 0 IGAARM Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000013579019 569156036 /nfs/dbraw/zinc/15/60/36/569156036.db2.gz NGGUIMDMHDLHIW-WOJBJXKFSA-N -1 0 436.464 3.396 50 0 IGAARM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1Cl ZINC000016972868 569168460 /nfs/dbraw/zinc/16/84/60/569168460.db2.gz UTFMYCUXFHVXEB-HXUWFJFHSA-N -1 0 436.899 3.252 50 0 IGAARM CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000017044650 569171640 /nfs/dbraw/zinc/17/16/40/569171640.db2.gz HHOKJKXMUMDSCD-QXAKKESOSA-N -1 0 444.532 3.319 50 0 IGAARM COc1ccc(-n2c(=O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c([O-])[nH]c2=S)cc1 ZINC000002119081 569182668 /nfs/dbraw/zinc/18/26/68/569182668.db2.gz KDLXEDNOLRKPFB-MRXNPFEDSA-N -1 0 442.449 3.299 50 0 IGAARM O=C([O-])C1=C(NNc2ccccc2)C(=O)N(C2CCCCC2)[C@@H]1C(=O)NC1CCCCC1 ZINC000048533108 569257975 /nfs/dbraw/zinc/25/79/75/569257975.db2.gz GPHWUMHJTMPERZ-MLBDUBDWSA-N -1 0 440.544 3.148 50 0 IGAARM 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443.496 3.050 50 0 IGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(-c2cccs2)on1 ZINC000027990544 556439783 /nfs/dbraw/zinc/43/97/83/556439783.db2.gz ZVKGLIMKKQXJAY-UHFFFAOYSA-N -1 0 427.467 3.246 50 0 IGAARM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000013041605 556447800 /nfs/dbraw/zinc/44/78/00/556447800.db2.gz XTXCJURERITTRF-UHFFFAOYSA-N -1 0 438.571 3.369 50 0 IGAARM CSCC[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000013130292 556479855 /nfs/dbraw/zinc/47/98/55/556479855.db2.gz VLIWHTWSSNJBDO-CLEQQJOVSA-N -1 0 432.929 3.433 50 0 IGAARM CCn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccccc1 ZINC000013256436 556501077 /nfs/dbraw/zinc/50/10/77/556501077.db2.gz LRSWMJYVUIDJPF-LJQANCHMSA-N -1 0 449.536 3.351 50 0 IGAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000015244988 556513520 /nfs/dbraw/zinc/51/35/20/556513520.db2.gz AQXQIQOIBXTNAR-UHFFFAOYSA-N -1 0 446.506 3.075 50 0 IGAARM CCOC(=O)c1ccc(NC(=O)[C@H](C)SC2=NC(=O)C(c3ccccc3)C([O-])=N2)cc1 ZINC000013544928 556513953 /nfs/dbraw/zinc/51/39/53/556513953.db2.gz ZHZKSYJTRPXRJR-ZDUSSCGKSA-N -1 0 439.493 3.439 50 0 IGAARM CCCCc1nnc(NC(=O)[C@@H](C)SC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)s1 ZINC000013544922 556513969 /nfs/dbraw/zinc/51/39/69/556513969.db2.gz BVUZRKPPTVHJAW-GFCCVEGCSA-N -1 0 445.570 3.380 50 0 IGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000015341282 556522166 /nfs/dbraw/zinc/52/21/66/556522166.db2.gz PPNPNUSJFKAMAF-ZIAGYGMSSA-N -1 0 438.933 3.399 50 0 IGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1 ZINC000002695005 556574959 /nfs/dbraw/zinc/57/49/59/556574959.db2.gz ZNHQOIKSFKJOIE-UHFFFAOYSA-N -1 0 437.568 3.190 50 0 aggregator IGAARM CCOC(=O)CCc1cc(I)c([O-])c(I)c1 ZINC000034530145 556579666 /nfs/dbraw/zinc/57/96/66/556579666.db2.gz HUQJJXQWPXUSAT-UHFFFAOYSA-N -1 0 446.022 3.097 50 0 IGAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Br)cc1C ZINC000071824033 556654018 /nfs/dbraw/zinc/65/40/18/556654018.db2.gz APTSRAPUQKXBFF-UHFFFAOYSA-N -1 0 428.304 3.218 50 0 IGAARM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011795893 556656831 /nfs/dbraw/zinc/65/68/31/556656831.db2.gz WIOUGGWDKHRQPR-INIZCTEOSA-N -1 0 449.554 3.427 50 0 IGAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000011795863 556656909 /nfs/dbraw/zinc/65/69/09/556656909.db2.gz ZDLBNTGTZOKPNX-SFHVURJKSA-N -1 0 445.566 3.327 50 0 IGAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)C1 ZINC000017096918 556660711 /nfs/dbraw/zinc/66/07/11/556660711.db2.gz UTMPSXWGLFHNBG-CYBMUJFWSA-N -1 0 430.498 3.186 50 0 IGAARM CSCC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000013816007 556744189 /nfs/dbraw/zinc/74/41/89/556744189.db2.gz NABAVBVKPDPDKE-KRWDZBQOSA-N -1 0 436.574 3.278 50 0 IGAARM CC(C)Oc1ccc(C(=O)N[C@@H](CCCCNC(=O)Cc2ccccc2)C(=O)[O-])cc1 ZINC000005274142 556762146 /nfs/dbraw/zinc/76/21/46/556762146.db2.gz 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IGAARM NC(=O)COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)c1 ZINC000049545551 557111488 /nfs/dbraw/zinc/11/14/88/557111488.db2.gz DBGHBTJZQCUBST-MRXNPFEDSA-N -1 0 439.855 3.167 50 0 IGAARM NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)c1 ZINC000049545549 557111530 /nfs/dbraw/zinc/11/15/30/557111530.db2.gz DBGHBTJZQCUBST-INIZCTEOSA-N -1 0 439.855 3.167 50 0 IGAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)Nc3cccc(F)c3)ccc21 ZINC000024754217 557162923 /nfs/dbraw/zinc/16/29/23/557162923.db2.gz COSNYUSZLDIARF-UHFFFAOYSA-N -1 0 441.440 3.324 50 0 IGAARM CCCn1c2ccc(N(CC(=O)[O-])S(=O)(=O)c3ccc(C)cc3)cc2n(CCC)c1=O ZINC000098063792 557232954 /nfs/dbraw/zinc/23/29/54/557232954.db2.gz WGUOHMFNBHLLOS-UHFFFAOYSA-N -1 0 445.541 3.211 50 0 IGAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000100036763 557238596 /nfs/dbraw/zinc/23/85/96/557238596.db2.gz YQTAQDZGZZYUDI-ROUUACIJSA-N -1 0 443.916 3.302 50 0 IGAARM 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ZINC000072271762 557264049 /nfs/dbraw/zinc/26/40/49/557264049.db2.gz KVTCBRWRIFUDCJ-OAHLLOKOSA-N -1 0 445.349 3.014 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4Cl)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262744 557265626 /nfs/dbraw/zinc/26/56/26/557265626.db2.gz UIZVNKGOLSHMER-RBUKOAKNSA-N -1 0 448.870 3.372 50 0 IGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(C)c5)c(=O)c3=4)n2)cc1C ZINC000101277585 557266355 /nfs/dbraw/zinc/26/63/55/557266355.db2.gz IIOOURCXIIAJNN-PMACEKPBSA-N -1 0 430.468 3.464 50 0 IGAARM O=C(Nc1ccc2c(c1)OCCO2)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101301816 557271183 /nfs/dbraw/zinc/27/11/83/557271183.db2.gz NKHAZAXBQAMNMD-UHFFFAOYSA-N -1 0 429.432 3.174 50 0 IGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2F)cc1 ZINC000101835832 557302438 /nfs/dbraw/zinc/30/24/38/557302438.db2.gz JNHHCJZZYMTPBP-GOSISDBHSA-N -1 0 426.379 3.406 50 0 IGAARM Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000040288138 557716454 /nfs/dbraw/zinc/71/64/54/557716454.db2.gz UFSIXQUVADMHFJ-LLVKDONJSA-N -1 0 445.328 3.057 50 0 IGAARM O=S(=O)([N-]c1ccc(N2CCOCC2)cn1)c1cc(Cl)ccc1Br ZINC000225530794 557737396 /nfs/dbraw/zinc/73/73/96/557737396.db2.gz IVFYKLKZCYXWHR-UHFFFAOYSA-N -1 0 432.727 3.135 50 0 IGAARM CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c1 ZINC000000956487 562919836 /nfs/dbraw/zinc/91/98/36/562919836.db2.gz HMOHIPWQBFYZPM-UHFFFAOYSA-N -1 0 440.525 3.474 50 0 IGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000002187865 562926130 /nfs/dbraw/zinc/92/61/30/562926130.db2.gz QBGIHOUIQZNXJX-GYZZIOIESA-N -1 0 432.451 3.409 50 0 IGAARM Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCC(=O)[O-])ccc21 ZINC000002296530 562926869 /nfs/dbraw/zinc/92/68/69/562926869.db2.gz KPWDSUNGLGSLIG-ZHZULCJRSA-N -1 0 427.460 3.303 50 0 IGAARM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000004035004 562941014 /nfs/dbraw/zinc/94/10/14/562941014.db2.gz PNMWCLHMQBGKAW-GOSISDBHSA-N -1 0 437.525 3.254 50 0 IGAARM CCC[C@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000008877348 562965592 /nfs/dbraw/zinc/96/55/92/562965592.db2.gz ZUAVZPBNZGGECR-HNNXBMFYSA-N -1 0 431.485 3.262 50 0 IGAARM Cc1c(C)c2c(OCC(=O)N3CCC(C(=O)[O-])CC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008876870 562965603 /nfs/dbraw/zinc/96/56/03/562965603.db2.gz XFCRTUBGAGUUPR-UHFFFAOYSA-N -1 0 443.496 3.215 50 0 IGAARM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Br)c2C)cc(OC)c1 ZINC000084028335 568789913 /nfs/dbraw/zinc/78/99/13/568789913.db2.gz RIRMZKGLHJFUJX-UHFFFAOYSA-N -1 0 430.276 3.274 50 0 IGAARM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc21 ZINC000015781529 568825943 /nfs/dbraw/zinc/82/59/43/568825943.db2.gz FNTZSIHNRKQYHH-UHFFFAOYSA-N -1 0 444.962 3.252 50 0 IGAARM COC(=O)c1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000015781950 568826146 /nfs/dbraw/zinc/82/61/46/568826146.db2.gz MJKBDCMSCUBMJW-KRWDZBQOSA-N -1 0 428.441 3.096 50 0 IGAARM CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000035829460 568927826 /nfs/dbraw/zinc/92/78/26/568927826.db2.gz PXPNALCEXVARQO-NDENLUEZSA-N -1 0 447.451 3.450 50 0 IGAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[P@@](=O)([O-])O ZINC000027023868 568939258 /nfs/dbraw/zinc/93/92/58/568939258.db2.gz YQRZKMTZQDZHMU-VQTJNVASSA-N -1 0 448.456 3.190 50 0 IGAARM COc1ccc(N2C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(OC)c3)NC2=S)cc1 ZINC000006645198 568943607 /nfs/dbraw/zinc/94/36/07/568943607.db2.gz SMJRXNVNGASXBL-OVCLIPMQSA-N -1 0 448.884 3.083 50 0 IGAARM C[C@@H](NC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000138366038 568955272 /nfs/dbraw/zinc/95/52/72/568955272.db2.gz DCONTFWMLQGMQY-SVRDEFFQSA-N -1 0 443.297 3.366 50 0 IGAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1 ZINC000064979447 569077791 /nfs/dbraw/zinc/07/77/91/569077791.db2.gz VKGVBMKFCOENQY-UHFFFAOYSA-N -1 0 434.470 3.485 50 0 IGAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036360859 569086693 /nfs/dbraw/zinc/08/66/93/569086693.db2.gz XCXDIZSDLJDLRM-GPVJQRHHSA-N -1 0 433.508 3.333 50 0 IGAARM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)o1)N1CCCC1 ZINC000065098750 569104223 /nfs/dbraw/zinc/10/42/23/569104223.db2.gz XCHRUSRVSLBUMJ-UHFFFAOYSA-N -1 0 438.918 3.488 50 0 IGAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1OC ZINC000065250008 569122029 /nfs/dbraw/zinc/12/20/29/569122029.db2.gz XBVZJCWJZYSZAK-UHFFFAOYSA-N -1 0 440.843 3.342 50 0 IGAARM CC(C)N1CCCn2cc(S(=O)(=O)[N-]c3cccc(OC(F)(F)F)c3)cc2C1=O ZINC000065258823 569124719 /nfs/dbraw/zinc/12/47/19/569124719.db2.gz NCRLPJNKTMGOAT-UHFFFAOYSA-N -1 0 431.436 3.442 50 0 IGAARM CCc1noc(-c2cc(Cl)ccc2[N-]S(=O)(=O)c2c(C)nn(CCOC)c2C)n1 ZINC000170599564 569142585 /nfs/dbraw/zinc/14/25/85/569142585.db2.gz WPTMMWFMLUKBFD-UHFFFAOYSA-N -1 0 439.925 3.213 50 0 IGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000170614139 569146249 /nfs/dbraw/zinc/14/62/49/569146249.db2.gz UQAIDXZIMKCYGR-LJQANCHMSA-N -1 0 442.468 3.264 50 0 IGAARM COc1cc(Br)c(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])cc1OC ZINC000089626553 569160001 /nfs/dbraw/zinc/16/00/01/569160001.db2.gz STTFMDBHXSFHKL-UHFFFAOYSA-N -1 0 448.266 3.413 50 0 IGAARM COc1cccc(CNC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(F)cc3)n2)c1 ZINC000016848492 569164257 /nfs/dbraw/zinc/16/42/57/569164257.db2.gz HORUMWJXURDWAN-UHFFFAOYSA-N -1 0 449.529 3.341 50 0 IGAARM CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002101549 569179883 /nfs/dbraw/zinc/17/98/83/569179883.db2.gz OVWWBQCEJLPKSS-DYVFJYSZSA-N -1 0 433.526 3.070 50 0 IGAARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(C(N)=O)cc4)c3=O)n2)cc1 ZINC000254757019 569183897 /nfs/dbraw/zinc/18/38/97/569183897.db2.gz SPEGZYGWJMNBEE-UHFFFAOYSA-N -1 0 434.481 3.108 50 0 IGAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12 ZINC000002146599 569187002 /nfs/dbraw/zinc/18/70/02/569187002.db2.gz LLTCJYIEWBIFGU-FQEVSTJZSA-N -1 0 448.475 3.336 50 0 IGAARM O=C([O-])C1=C(NNc2ccccc2)C(=O)N(C2CCCCC2)[C@H]1C(=O)NC1CCCCC1 ZINC000048533102 569258016 /nfs/dbraw/zinc/25/80/16/569258016.db2.gz GPHWUMHJTMPERZ-KMEDJESDSA-N -1 0 440.544 3.148 50 0 IGAARM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)c1c(C)nn(Cc2ccccc2)c1C ZINC000253417657 569266375 /nfs/dbraw/zinc/26/63/75/569266375.db2.gz XPXWKARJKFZBLZ-LJQANCHMSA-N -1 0 433.555 3.192 50 0 IGAARM Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000008816253 569290790 /nfs/dbraw/zinc/29/07/90/569290790.db2.gz BJCKKLXERBMNHP-DEDYPNTBSA-N -1 0 444.447 3.015 50 0 IGAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1cccc(Cl)c1)NC(=S)N[C@@H]2c1cccc(Cl)c1 ZINC000020117148 569335310 /nfs/dbraw/zinc/33/53/10/569335310.db2.gz LWKFDXGQMFEYGV-ZIAGYGMSSA-N -1 0 449.319 3.446 50 0 IGAARM COc1ccc(-c2noc(CCCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])n2)cc1 ZINC000095424594 569365840 /nfs/dbraw/zinc/36/58/40/569365840.db2.gz QFKCJWNYTUYRJC-FQEVSTJZSA-N -1 0 448.479 3.361 50 0 IGAARM COc1ccc(S(=O)(=O)N2CC[C@@H](C)c3ccccc32)c([N-]S(=O)(=O)C(F)F)c1 ZINC000095448013 569367529 /nfs/dbraw/zinc/36/75/29/569367529.db2.gz GGDKHACZJIQGLI-GFCCVEGCSA-N -1 0 446.497 3.362 50 0 IGAARM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000095463945 569370434 /nfs/dbraw/zinc/37/04/34/569370434.db2.gz QBOHGYCYIKPXGG-RBUKOAKNSA-N -1 0 428.510 3.472 50 0 IGAARM O=C(OCc1nc(-c2ccsc2)no1)c1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000096012731 569380151 /nfs/dbraw/zinc/38/01/51/569380151.db2.gz VWTGQCBOCHIYNK-UHFFFAOYSA-N -1 0 433.389 3.417 50 0 IGAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000096319800 569393939 /nfs/dbraw/zinc/39/39/39/569393939.db2.gz VUYUPVKTSXOINT-ZWKOTPCHSA-N -1 0 429.839 3.028 50 0 IGAARM O=C(Nc1cccc(OC(F)(F)F)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000096361063 569397657 /nfs/dbraw/zinc/39/76/57/569397657.db2.gz HVDFUMJBXQUCQF-UHFFFAOYSA-N -1 0 426.376 3.361 50 0 IGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000096361282 569397787 /nfs/dbraw/zinc/39/77/87/569397787.db2.gz ZAFYFILQFFNTGY-UHFFFAOYSA-N -1 0 434.905 3.193 50 0 IGAARM O=C(COc1cccc(Cl)c1)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097161383 569403239 /nfs/dbraw/zinc/40/32/39/569403239.db2.gz MCPUQZZOJLNUIZ-UHFFFAOYSA-N -1 0 434.883 3.307 50 0 IGAARM O=C([O-])c1ccc2c(=O)[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000003346251 569447119 /nfs/dbraw/zinc/44/71/19/569447119.db2.gz FAYFQVJOFWHUQS-UHFFFAOYSA-N -1 0 433.493 3.431 50 0 IGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)ccc1C ZINC000031552272 569456728 /nfs/dbraw/zinc/45/67/28/569456728.db2.gz ZNCCKIZLUKPMRU-HNNXBMFYSA-N -1 0 447.557 3.294 50 0 IGAARM CCOC(=O)[C@H]1CCCN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)C1 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3.444 50 0 IGAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc(C(F)(F)F)n(C)n1)CC[C@@H](C)C3 ZINC000002779093 556141337 /nfs/dbraw/zinc/14/13/37/556141337.db2.gz FORIIFBMTQOTCQ-MRVPVSSYSA-N -1 0 425.436 3.027 50 0 IGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1nc2ccccc2[nH]1 ZINC000013689423 556278602 /nfs/dbraw/zinc/27/86/02/556278602.db2.gz ZGQYCTKFXYEBMQ-UHFFFAOYSA-N -1 0 431.474 3.141 50 0 IGAARM CCN(Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1)C(=O)C(F)(F)F ZINC000032833767 556417769 /nfs/dbraw/zinc/41/77/69/556417769.db2.gz YEASYTISXZKLHL-UHFFFAOYSA-N -1 0 444.431 3.405 50 0 IGAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000032836339 556418234 /nfs/dbraw/zinc/41/82/34/556418234.db2.gz TVKOPHYITVQWRH-UHFFFAOYSA-N -1 0 430.873 3.400 50 0 IGAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000013041709 556447890 /nfs/dbraw/zinc/44/78/90/556447890.db2.gz HZZWMHQPMRRCOF-UHFFFAOYSA-N -1 0 446.554 3.312 50 0 IGAARM 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LNNUGZZSZRCTOX-OAHLLOKOSA-N -1 0 425.437 3.099 50 0 IGAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N3CCCCC3)oc2C)c1 ZINC000097940888 556810821 /nfs/dbraw/zinc/81/08/21/556810821.db2.gz OJBHWIMVYDJYQI-UHFFFAOYSA-N -1 0 444.513 3.414 50 0 IGAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)[C@H](C(=O)[O-])C1 ZINC000019644958 556839441 /nfs/dbraw/zinc/83/94/41/556839441.db2.gz PTRBKSQNEGXMPQ-DLBZAZTESA-N -1 0 446.569 3.485 50 0 IGAARM CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000033279660 557062311 /nfs/dbraw/zinc/06/23/11/557062311.db2.gz KEXMPRDWYHZQHN-UHFFFAOYSA-N -1 0 442.497 3.256 50 0 IGAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)c1 ZINC000049002766 557090440 /nfs/dbraw/zinc/09/04/40/557090440.db2.gz QVBYYFDMVAMIJI-QZTJIDSGSA-N -1 0 434.481 3.260 50 0 IGAARM NC(=O)COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cc1 ZINC000049546661 557111684 /nfs/dbraw/zinc/11/16/84/557111684.db2.gz CELMXUXDLLVBEQ-CQSZACIVSA-N -1 0 439.855 3.167 50 0 IGAARM O=C1COc2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)cc2N1 ZINC000024262133 557142467 /nfs/dbraw/zinc/14/24/67/557142467.db2.gz SWTCNOLYGHSYKC-UHFFFAOYSA-N -1 0 438.387 3.023 50 0 IGAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 ZINC000009013937 557180031 /nfs/dbraw/zinc/18/00/31/557180031.db2.gz ZKVNRGVRUCOLOL-UHFFFAOYSA-N -1 0 426.235 3.116 50 0 IGAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)N2CCCC2)cc1 ZINC000024928524 557180939 /nfs/dbraw/zinc/18/09/39/557180939.db2.gz LQWOBWDWPGAEBY-UHFFFAOYSA-N -1 0 434.514 3.139 50 0 IGAARM O=C([O-])c1c(F)c(I)c(F)c(I)c1F ZINC000096171741 557182182 /nfs/dbraw/zinc/18/21/82/557182182.db2.gz VFUHTWSHXLTWDQ-UHFFFAOYSA-N -1 0 427.885 3.011 50 0 IGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c(Cl)c1 ZINC000025367721 557206013 /nfs/dbraw/zinc/20/60/13/557206013.db2.gz UNZYSVILIOYWNW-UHFFFAOYSA-N -1 0 442.868 3.290 50 0 IGAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000098212488 557235737 /nfs/dbraw/zinc/23/57/37/557235737.db2.gz KTDDDXLDLMDMLJ-LEWJYISDSA-N -1 0 435.484 3.141 50 0 IGAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)c1 ZINC000100036717 557238576 /nfs/dbraw/zinc/23/85/76/557238576.db2.gz VZDDQUPOQHLSOX-RBUKOAKNSA-N -1 0 425.876 3.197 50 0 IGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1 ZINC000101168451 557258600 /nfs/dbraw/zinc/25/86/00/557258600.db2.gz TVDBKRLARJXULO-RTBURBONSA-N -1 0 427.411 3.020 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)cc1C ZINC000101169479 557259177 /nfs/dbraw/zinc/25/91/77/557259177.db2.gz GLNKRFBMJHWQJX-RTBURBONSA-N -1 0 425.876 3.197 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1C ZINC000101169490 557259256 /nfs/dbraw/zinc/25/92/56/557259256.db2.gz IQZZRLIBGGZUKG-RTBURBONSA-N -1 0 425.876 3.197 50 0 IGAARM COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101130538 557261748 /nfs/dbraw/zinc/26/17/48/557261748.db2.gz SCHNXELDNRZMGQ-WBVHZDCISA-N -1 0 432.263 3.209 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)c=3c2=O)cc1 ZINC000101893741 557306441 /nfs/dbraw/zinc/30/64/41/557306441.db2.gz NZOALWAWVZAVKT-UXHICEINSA-N -1 0 446.467 3.326 50 0 IGAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000101169634 557455558 /nfs/dbraw/zinc/45/55/58/557455558.db2.gz PQLYTAUTWLVSMS-IRXDYDNUSA-N -1 0 447.879 3.133 50 0 IGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc6c(c5)CCC6)c(=O)c3=4)n2)cc1 ZINC000101262733 557456049 /nfs/dbraw/zinc/45/60/49/557456049.db2.gz BWHKBPBRDOGFFM-VQTJNVASSA-N -1 0 428.452 3.027 50 0 IGAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)n1 ZINC000101262750 557456076 /nfs/dbraw/zinc/45/60/76/557456076.db2.gz XFNLXMUMQSKUNG-VQTJNVASSA-N -1 0 428.452 3.027 50 0 IGAARM COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000045900601 557546956 /nfs/dbraw/zinc/54/69/56/557546956.db2.gz LMUSWCNJZOTAJB-UHFFFAOYSA-N -1 0 425.510 3.434 50 0 IGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NCc1ccc(C)cc1)c2=O ZINC000012415904 557835864 /nfs/dbraw/zinc/83/58/64/557835864.db2.gz POVMAFCXNNTHOK-UHFFFAOYSA-N -1 0 425.510 3.251 50 0 IGAARM COc1ccc2c(CC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])cc(=O)oc2c1C ZINC000002103222 562925845 /nfs/dbraw/zinc/92/58/45/562925845.db2.gz VCBDJPDTKSOARE-QGZVFWFLSA-N -1 0 429.856 3.118 50 0 IGAARM Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1 ZINC000002602887 562928301 /nfs/dbraw/zinc/92/83/01/562928301.db2.gz HSIJWYOCJSUVKN-UHFFFAOYSA-N -1 0 435.556 3.082 50 0 IGAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)ncn1 ZINC000006532994 562947163 /nfs/dbraw/zinc/94/71/63/562947163.db2.gz BBIVAVCFAWEIQZ-UHFFFAOYSA-N -1 0 442.541 3.441 50 0 IGAARM Cc1cc(C)cc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)c1 ZINC000009599480 562973754 /nfs/dbraw/zinc/97/37/54/562973754.db2.gz ZOCGKIXAQTZJIH-UHFFFAOYSA-N -1 0 429.527 3.014 50 0 aggregator IGAARM CC(NCc1cccc(C)c1)=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000001407433 568787130 /nfs/dbraw/zinc/78/71/30/568787130.db2.gz PCSKCQOHSPEVFM-GHRIWEEISA-N -1 0 428.286 3.404 50 0 IGAARM Cc1c(CC(=O)NC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(=O)oc2cc(O)cc(O)c12 ZINC000043746729 568896834 /nfs/dbraw/zinc/89/68/34/568896834.db2.gz VWAVXMJQGMVOMG-ZDUSSCGKSA-N -1 0 445.855 3.083 50 0 IGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)s1 ZINC000001747058 568904164 /nfs/dbraw/zinc/90/41/64/568904164.db2.gz COVWXBBQLPYYRS-UHFFFAOYSA-N -1 0 448.526 3.171 50 0 IGAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)NCc1ccccc1 ZINC000089478883 568926554 /nfs/dbraw/zinc/92/65/54/568926554.db2.gz PQDXAPIUNFNRDA-HNNXBMFYSA-N -1 0 444.534 3.411 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)no4)c=3c2=O)cc1F ZINC000064565351 568932320 /nfs/dbraw/zinc/93/23/20/568932320.db2.gz RSGIAAHEFLRMDL-IAGOWNOFSA-N -1 0 440.822 3.331 50 0 IGAARM O=C([O-])c1cc(N2CCCN(c3ncccn3)CC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000064588773 568934836 /nfs/dbraw/zinc/93/48/36/568934836.db2.gz FWGIUXAEAYPVHZ-UHFFFAOYSA-N -1 0 435.459 3.283 50 0 IGAARM Cc1cccc(NC(=O)CN2CCN(c3ccc(NC(=O)C(C)C)c(C(=O)[O-])c3)CC2)c1 ZINC000064589715 568935064 /nfs/dbraw/zinc/93/50/64/568935064.db2.gz CDMVAJZMYDSZGD-UHFFFAOYSA-N -1 0 438.528 3.048 50 0 IGAARM COc1ccccc1/C=C1\SC(=O)N(CCC(=O)Nc2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000054360670 568940533 /nfs/dbraw/zinc/94/05/33/568940533.db2.gz LBPRDPKCTUZDON-YVLHZVERSA-N -1 0 442.449 3.164 50 0 IGAARM CN(C[C@H]1COCCO1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820717 568967299 /nfs/dbraw/zinc/96/72/99/568967299.db2.gz FNSJLDMJOXFACE-INIZCTEOSA-N -1 0 449.301 3.251 50 0 IGAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036354737 569084233 /nfs/dbraw/zinc/08/42/33/569084233.db2.gz AQQANWGKVHJTBF-HXUWFJFHSA-N -1 0 427.888 3.478 50 0 IGAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc21 ZINC000036358591 569085305 /nfs/dbraw/zinc/08/53/05/569085305.db2.gz GJBALVYIXNUDQK-JOCHJYFZSA-N -1 0 443.450 3.342 50 0 IGAARM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000065097628 569103976 /nfs/dbraw/zinc/10/39/76/569103976.db2.gz VONJQLPLOVAFQK-UHFFFAOYSA-N -1 0 432.527 3.452 50 0 IGAARM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000065116563 569107290 /nfs/dbraw/zinc/10/72/90/569107290.db2.gz AEQMKHVENJOVFW-UHFFFAOYSA-N -1 0 432.527 3.452 50 0 IGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c1 ZINC000065241519 569121067 /nfs/dbraw/zinc/12/10/67/569121067.db2.gz QEDMEWSQKLOZRB-UHFFFAOYSA-N -1 0 441.465 3.282 50 0 IGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCCc3ccccc3)cs2)cc1 ZINC000016848526 569164457 /nfs/dbraw/zinc/16/44/57/569164457.db2.gz RHGWUONKYLWVJR-UHFFFAOYSA-N -1 0 445.566 3.244 50 0 IGAARM CCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)C(=O)[O-] ZINC000002119900 569182775 /nfs/dbraw/zinc/18/27/75/569182775.db2.gz QKFIDTTZGNBJIU-IBGZPJMESA-N -1 0 425.437 3.217 50 0 IGAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)[O-])cc3)C2=O)cc1 ZINC000013940144 569321743 /nfs/dbraw/zinc/32/17/43/569321743.db2.gz JEQYQVUHHZTXKZ-YVLHZVERSA-N -1 0 426.450 3.133 50 0 IGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NC[C@@H]4CCCO4)c3=O)c2c1 ZINC000020331376 569360976 /nfs/dbraw/zinc/36/09/76/569360976.db2.gz SNJNPPWYWLBXKX-AWEZNQCLSA-N -1 0 430.530 3.014 50 0 IGAARM NC(=O)NCCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)C(=O)[O-] ZINC000080331364 569362422 /nfs/dbraw/zinc/36/24/22/569362422.db2.gz GJDZZCAMKXIUQV-SFHVURJKSA-N -1 0 440.887 3.187 50 0 IGAARM CCC[C@](C)(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C(=O)[O-] ZINC000095389864 569363431 /nfs/dbraw/zinc/36/34/31/569363431.db2.gz IJCTUHXIAIJIMV-IBGZPJMESA-N -1 0 425.323 3.061 50 0 IGAARM C[C@@H](NC(=O)c1nn(-c2ccccc2I)cc1[O-])c1cccnc1 ZINC000095412718 569365306 /nfs/dbraw/zinc/36/53/06/569365306.db2.gz QQTFWKGGMBQUKV-LLVKDONJSA-N -1 0 434.237 3.069 50 0 IGAARM COc1ccc(S(=O)(=O)Nc2ccccc2Cl)c([N-]S(=O)(=O)C(F)F)c1 ZINC000095445383 569367076 /nfs/dbraw/zinc/36/70/76/569367076.db2.gz QHPBZBVVUVJTLU-UHFFFAOYSA-N -1 0 426.850 3.114 50 0 IGAARM O=C([O-])[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1ccc(F)cc1F ZINC000095464027 569370410 /nfs/dbraw/zinc/37/04/10/569370410.db2.gz QOXYOIBDNQQOSV-MRXNPFEDSA-N -1 0 436.212 3.469 50 0 IGAARM CCN(CC)C(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000028294160 569409694 /nfs/dbraw/zinc/40/96/94/569409694.db2.gz YQFIFGUMFINRLM-LBPRGKRZSA-N -1 0 441.768 3.419 50 0 IGAARM O=C(NCc1ccco1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003051668 569439253 /nfs/dbraw/zinc/43/92/53/569439253.db2.gz WPHPZKRXWGZAJJ-UHFFFAOYSA-N -1 0 435.461 3.359 50 0 IGAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)NC[C@@H]4CCCO4)cc3[n-]c2=S)cc1 ZINC000003632263 569455357 /nfs/dbraw/zinc/45/53/57/569455357.db2.gz YJOPATXGRQRVLX-KRWDZBQOSA-N -1 0 425.510 3.025 50 0 IGAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1Cn1nc(C)c(Br)c1C ZINC000008955465 569490104 /nfs/dbraw/zinc/49/01/04/569490104.db2.gz KMIJZKKRDNQFTK-CJNGLKHVSA-N -1 0 426.336 3.108 50 0 IGAARM O=C(NCCc1cn2ccccc2n1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040145293 569492114 /nfs/dbraw/zinc/49/21/14/569492114.db2.gz NEGGBUZFPILNKJ-UHFFFAOYSA-N -1 0 426.523 3.169 50 0 IGAARM Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000040266709 569497249 /nfs/dbraw/zinc/49/72/49/569497249.db2.gz ADWDXVGQJLSCPQ-LLVKDONJSA-N -1 0 445.328 3.057 50 0 IGAARM Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2n1 ZINC000009120628 569503982 /nfs/dbraw/zinc/50/39/82/569503982.db2.gz FXDCJWOHTQRBBW-UHFFFAOYSA-N -1 0 431.539 3.129 50 0 IGAARM Cc1cccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)c1C ZINC000009153250 569508041 /nfs/dbraw/zinc/50/80/41/569508041.db2.gz BVQRRVJQKNSQRF-UHFFFAOYSA-N -1 0 427.507 3.357 50 0 IGAARM COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000009157935 569508494 /nfs/dbraw/zinc/50/84/94/569508494.db2.gz 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/nfs/dbraw/zinc/76/85/69/556768569.db2.gz CEHUIMRXLDRPDY-UHFFFAOYSA-N -1 0 438.944 3.417 50 0 IGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000019631871 556832758 /nfs/dbraw/zinc/83/27/58/556832758.db2.gz KWJCUVXJKMVUQY-RTWAWAEBSA-N -1 0 440.521 3.039 50 0 IGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000019631865 556832788 /nfs/dbraw/zinc/83/27/88/556832788.db2.gz KWJCUVXJKMVUQY-SFTDATJTSA-N -1 0 440.521 3.039 50 0 IGAARM Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000033078182 556852895 /nfs/dbraw/zinc/85/28/95/556852895.db2.gz OPLFGPMASATEAI-UHFFFAOYSA-N -1 0 425.514 3.166 50 0 IGAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c(C(=O)[O-])c1 ZINC000033253017 556893385 /nfs/dbraw/zinc/89/33/85/556893385.db2.gz UFLDGDRZCCRUIO-UHFFFAOYSA-N -1 0 437.949 3.435 50 0 IGAARM COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2C(=O)[O-])cc1OC ZINC000097117824 556991392 /nfs/dbraw/zinc/99/13/92/556991392.db2.gz VJGXUNHNJQWQAH-UHFFFAOYSA-N -1 0 430.276 3.274 50 0 IGAARM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000023158016 557030988 /nfs/dbraw/zinc/03/09/88/557030988.db2.gz ZIQQCEIFLOXHFL-NVGCLXPQSA-N -1 0 448.545 3.029 50 0 IGAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000023157778 557030996 /nfs/dbraw/zinc/03/09/96/557030996.db2.gz PBKHKOIVOVVOFE-OAHLLOKOSA-N -1 0 435.937 3.322 50 0 IGAARM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)ccc3OC)ccc21 ZINC000017286953 557045009 /nfs/dbraw/zinc/04/50/09/557045009.db2.gz SWJASJXWWRMKCA-UHFFFAOYSA-N -1 0 438.571 3.297 50 0 IGAARM CCC[C@@H](Br)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000048544995 557077459 /nfs/dbraw/zinc/07/74/59/557077459.db2.gz QCBSCXAXDQTIOL-CVEARBPZSA-N -1 0 443.338 3.216 50 0 IGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1 ZINC000101168370 557258645 /nfs/dbraw/zinc/25/86/45/557258645.db2.gz SEYZMCMJFBHBES-MOPGFXCFSA-N -1 0 425.876 3.395 50 0 IGAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000101416323 557284642 /nfs/dbraw/zinc/28/46/42/557284642.db2.gz TZVMUUMAPJGCNX-DLBZAZTESA-N -1 0 432.267 3.234 50 0 IGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1OC ZINC000101418266 557284867 /nfs/dbraw/zinc/28/48/67/557284867.db2.gz AQGWGWQWEHDRKD-SJORKVTESA-N -1 0 434.374 3.216 50 0 IGAARM Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000101583353 557290970 /nfs/dbraw/zinc/29/09/70/557290970.db2.gz IUYCLKMGNXJPRC-UHFFFAOYSA-N -1 0 443.916 3.083 50 0 IGAARM COc1cc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc(OC)c1 ZINC000101723152 557294804 /nfs/dbraw/zinc/29/48/04/557294804.db2.gz DQLYYRYRVFPIIF-UHFFFAOYSA-N -1 0 435.411 3.500 50 0 IGAARM COc1ccccc1N1CCN(Cc2cc(=O)n3nc(-c4ccc(C)c(C)c4)[n-]c3n2)CC1 ZINC000101842206 557298334 /nfs/dbraw/zinc/29/83/34/557298334.db2.gz FXBNLZQINGORQX-UHFFFAOYSA-N -1 0 444.539 3.032 50 0 IGAARM Cc1ccc(-c2nn3c([n-]2)nc(CN2CCN(c4ccc(F)cc4)CC2)cc3=O)cc1C ZINC000101842169 557298377 /nfs/dbraw/zinc/29/83/77/557298377.db2.gz ISBNTYQJYGXDDR-UHFFFAOYSA-N -1 0 432.503 3.163 50 0 IGAARM CC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c3ccc(C(=O)OC)cc3[n-]c2=S)cc1 ZINC000032959334 557319213 /nfs/dbraw/zinc/31/92/13/557319213.db2.gz JGWFVHOUTSAQPO-ZDUSSCGKSA-N -1 0 425.510 3.048 50 0 IGAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccccc3C)c(C(=O)[O-])c2)C1 ZINC000033007352 557320638 /nfs/dbraw/zinc/32/06/38/557320638.db2.gz UALYLIIJXHJAMJ-MRXNPFEDSA-N -1 0 446.525 3.274 50 0 IGAARM Cn1c(=O)c2ccc(C(=O)Nc3cccc(I)c3)cc2[n-]c1=S ZINC000102753824 557383984 /nfs/dbraw/zinc/38/39/84/557383984.db2.gz QZGHOFJHJXMFDR-UHFFFAOYSA-N -1 0 437.262 3.079 50 0 IGAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2COc3ccc(Br)cc32)c(F)c1 ZINC000225393657 557718075 /nfs/dbraw/zinc/71/80/75/557718075.db2.gz YTHYVGHAAGFQID-AWEZNQCLSA-N -1 0 428.279 3.019 50 0 IGAARM COC(=O)c1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000225530398 557737417 /nfs/dbraw/zinc/73/74/17/557737417.db2.gz KVYCJCHEYHYWPV-UHFFFAOYSA-N -1 0 431.253 3.026 50 0 IGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NC[C@H](C)c1ccccc1)c2=O ZINC000012415892 557835845 /nfs/dbraw/zinc/83/58/45/557835845.db2.gz VSFFEIZZCNTFRQ-AWEZNQCLSA-N -1 0 425.510 3.156 50 0 IGAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002114328 562925897 /nfs/dbraw/zinc/92/58/97/562925897.db2.gz IXTONSUPGBZXOZ-LJQANCHMSA-N -1 0 441.867 3.126 50 0 IGAARM Cc1c2ccc(OCC(=O)N3CCC(C(=O)[O-])CC3)cc2oc(=O)c1Cc1ccccc1 ZINC000002114713 562925909 /nfs/dbraw/zinc/92/59/09/562925909.db2.gz LPBWCURTDGRRTE-UHFFFAOYSA-N -1 0 435.476 3.394 50 0 IGAARM Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(C)cc(=O)oc2c1 ZINC000002112951 562925912 /nfs/dbraw/zinc/92/59/12/562925912.db2.gz IXJYBHDPOWDVBJ-INIZCTEOSA-N -1 0 429.856 3.254 50 0 IGAARM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000003222268 562933005 /nfs/dbraw/zinc/93/30/05/562933005.db2.gz ARCQXNAPARBBBA-UHFFFAOYSA-N -1 0 426.494 3.435 50 0 IGAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000004076633 562941455 /nfs/dbraw/zinc/94/14/55/562941455.db2.gz UIBYMNTZRXCQHT-KRWDZBQOSA-N -1 0 441.488 3.084 50 0 IGAARM CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000009187063 562968039 /nfs/dbraw/zinc/96/80/39/562968039.db2.gz MAUOOMWTTHBFLE-KRWDZBQOSA-N -1 0 433.936 3.299 50 0 IGAARM CCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000942840 568641801 /nfs/dbraw/zinc/64/18/01/568641801.db2.gz HKHOMOIJOJSPPG-UHFFFAOYSA-N -1 0 426.498 3.247 50 0 IGAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@]1(Cl)CC[C@H]2C1=CC(=O)OC1 ZINC000257348119 568731062 /nfs/dbraw/zinc/73/10/62/568731062.db2.gz BNZWEZZSPRSQEB-AZISAFBISA-N -1 0 438.948 3.030 50 0 IGAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)NCc1ccccc1 ZINC000003269306 568744681 /nfs/dbraw/zinc/74/46/81/568744681.db2.gz XPIPLIYFWUIAQE-UHFFFAOYSA-N -1 0 430.507 3.022 50 0 IGAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000390834797 568909666 /nfs/dbraw/zinc/90/96/66/568909666.db2.gz ZRXQCKBJCDXYNJ-BOCKYXSRSA-N -1 0 435.524 3.454 50 0 IGAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@H]1CCCO1)c1cccc2nsnc21 ZINC000001826098 568915798 /nfs/dbraw/zinc/91/57/98/568915798.db2.gz SPGRJJQOFSIKPO-GFCCVEGCSA-N -1 0 442.526 3.026 50 0 IGAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3F)c2)no1)N1CCCC1 ZINC000065097364 569103724 /nfs/dbraw/zinc/10/37/24/569103724.db2.gz CEQBBFMKIQWHFF-UHFFFAOYSA-N -1 0 440.453 3.113 50 0 IGAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)c(OC)c1 ZINC000065250007 569122015 /nfs/dbraw/zinc/12/20/15/569122015.db2.gz PVMNAUDKXPWTOZ-UHFFFAOYSA-N -1 0 440.843 3.342 50 0 IGAARM COc1cc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc(OC)c1 ZINC000065250009 569122028 /nfs/dbraw/zinc/12/20/28/569122028.db2.gz NBVVBZAZIMWRGB-UHFFFAOYSA-N -1 0 440.843 3.342 50 0 IGAARM COc1ccc(CC(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)cc1 ZINC000065260866 569124077 /nfs/dbraw/zinc/12/40/77/569124077.db2.gz GPOZVCWSHUKSPI-UHFFFAOYSA-N -1 0 448.910 3.479 50 0 IGAARM O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000089845713 569165751 /nfs/dbraw/zinc/16/57/51/569165751.db2.gz BNLMCDCVLLHOGG-UHFFFAOYSA-N -1 0 444.538 3.067 50 0 IGAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(=O)oc12 ZINC000002102352 569179801 /nfs/dbraw/zinc/17/98/01/569179801.db2.gz WOWPBVQNTGJSIH-FQEVSTJZSA-N -1 0 448.475 3.341 50 0 IGAARM CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])ccc12 ZINC000002123060 569183798 /nfs/dbraw/zinc/18/37/98/569183798.db2.gz GYBMOBHUXDKASR-IBGZPJMESA-N -1 0 441.505 3.237 50 0 IGAARM Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])c2c(C)cc(=O)oc2c1 ZINC000002124974 569184040 /nfs/dbraw/zinc/18/40/40/569184040.db2.gz JIRASXDGTYBKEL-KRWDZBQOSA-N -1 0 441.505 3.291 50 0 IGAARM CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000020036320 569332745 /nfs/dbraw/zinc/33/27/45/569332745.db2.gz OVGAPGQWFADUQI-LZYBPNLTSA-N -1 0 448.834 3.434 50 0 IGAARM CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1cccc(OC)c1OC)N(C)C2=O ZINC000020104735 569334290 /nfs/dbraw/zinc/33/42/90/569334290.db2.gz NLQCNCLDPIMFMV-UXHICEINSA-N -1 0 429.469 3.496 50 0 IGAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1ccc(Cl)cc1)NC(=S)N[C@H]2c1ccc(Cl)cc1 ZINC000020117176 569335348 /nfs/dbraw/zinc/33/53/48/569335348.db2.gz LUXLQPCDLCVITC-OKILXGFUSA-N -1 0 449.319 3.446 50 0 IGAARM COc1cnc([N-]S(=O)(=O)c2ccc(NC(=O)CCCc3cccs3)cc2)nc1 ZINC000095440785 569366619 /nfs/dbraw/zinc/36/66/19/569366619.db2.gz YHQNFPSVNBXUPQ-UHFFFAOYSA-N -1 0 432.527 3.309 50 0 IGAARM CSc1ccc([C@H](CC(=O)[O-])NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000095463949 569370412 /nfs/dbraw/zinc/37/04/12/569370412.db2.gz OIXOQZVGMOOIKN-IBGZPJMESA-N -1 0 428.510 3.468 50 0 IGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000097161374 569403302 /nfs/dbraw/zinc/40/33/02/569403302.db2.gz WVTFXGARLRHWHH-UHFFFAOYSA-N -1 0 436.440 3.293 50 0 IGAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCCCCC1 ZINC000003051688 569439270 /nfs/dbraw/zinc/43/92/70/569439270.db2.gz HKXGSMIRVBFJPX-UHFFFAOYSA-N -1 0 437.521 3.478 50 0 IGAARM O=C([O-])COc1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000003503827 569452874 /nfs/dbraw/zinc/45/28/74/569452874.db2.gz SRDCUUZQOPCLCK-UHFFFAOYSA-N -1 0 444.487 3.166 50 0 IGAARM O=c1c2[n-][nH]n(Cc3nc(-c4cccc(Cl)c4)no3)c=2c(=O)n1-c1cccc(F)c1 ZINC000038652393 569465760 /nfs/dbraw/zinc/46/57/60/569465760.db2.gz SOLYNMAAEJSCKJ-HZPDHXFCSA-N -1 0 426.795 3.023 50 0 IGAARM CC(C)NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000008725703 569472201 /nfs/dbraw/zinc/47/22/01/569472201.db2.gz BGJFQFMUTWUYQE-UHFFFAOYSA-N -1 0 444.340 3.049 50 0 IGAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(Br)cc1 ZINC000008920100 569486466 /nfs/dbraw/zinc/48/64/66/569486466.db2.gz FORPBDFSJVTERF-BBRMVZONSA-N -1 0 438.299 3.465 50 0 IGAARM O=S(=O)([N-]c1ccc(N2CCN(c3ccccc3F)CC2)nn1)c1ccc(Cl)cc1 ZINC000008975932 569492923 /nfs/dbraw/zinc/49/29/23/569492923.db2.gz SAVGUFYLKSKEEG-UHFFFAOYSA-N -1 0 447.923 3.397 50 0 IGAARM COC(=O)[C@]([N-]c1nc2ccc(Br)cc2s1)(NC(C)=O)C(F)(F)F ZINC000008997071 569495904 /nfs/dbraw/zinc/49/59/04/569495904.db2.gz PKHMOWAMNDDRME-GFCCVEGCSA-N -1 0 426.214 3.038 50 0 IGAARM COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc([N-]S(C)(=O)=O)nn21 ZINC000009109950 569502124 /nfs/dbraw/zinc/50/21/24/569502124.db2.gz ASRFFXHNOHEYRL-CVEARBPZSA-N -1 0 433.921 3.458 50 0 IGAARM COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C ZINC000009261431 569516949 /nfs/dbraw/zinc/51/69/49/569516949.db2.gz DHLTWRNTOHUGIO-UHFFFAOYSA-N -1 0 442.497 3.140 50 0 IGAARM COc1cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C3CC3)ccc2OC)cc(OC)c1 ZINC000009335845 569523324 /nfs/dbraw/zinc/52/33/24/569523324.db2.gz JYLVFCKVHULCGA-ZDUSSCGKSA-N -1 0 434.514 3.042 50 0 IGAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000009546086 569546233 /nfs/dbraw/zinc/54/62/33/569546233.db2.gz WNUOLOQIJVXCJR-UHFFFAOYSA-N -1 0 447.538 3.110 50 0 IGAARM CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009673710 569558961 /nfs/dbraw/zinc/55/89/61/569558961.db2.gz ZTUNKQDWGIRBRG-LJQANCHMSA-N -1 0 447.488 3.130 50 0 IGAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2 ZINC000009675402 569559293 /nfs/dbraw/zinc/55/92/93/569559293.db2.gz XMJLUYXXUUEUHW-MSOLQXFVSA-N -1 0 429.839 3.028 50 0 IGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1C ZINC000009748387 569565879 /nfs/dbraw/zinc/56/58/79/569565879.db2.gz MDMMTLANGSOCAF-MOPGFXCFSA-N -1 0 425.876 3.197 50 0 IGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1Cl ZINC000009748509 569565929 /nfs/dbraw/zinc/56/59/29/569565929.db2.gz MMUNSAWZQLYJFH-OALUTQOASA-N -1 0 425.876 3.197 50 0 IGAARM CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@@H](c1cc(OC)ccc1OC)N(C)C2=O ZINC000009776726 569567058 /nfs/dbraw/zinc/56/70/58/569567058.db2.gz IPYNHRCVGURKAH-LEWJYISDSA-N -1 0 429.469 3.496 50 0 IGAARM CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@@H](c1cc(OC)ccc1OC)N(C)C2=O ZINC000009776723 569567068 /nfs/dbraw/zinc/56/70/68/569567068.db2.gz IPYNHRCVGURKAH-NHCUHLMSSA-N -1 0 429.469 3.496 50 0 IGAARM CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000010514151 569582604 /nfs/dbraw/zinc/58/26/04/569582604.db2.gz BYYWXPNBEJMCAM-UHFFFAOYSA-N -1 0 443.566 3.479 50 0 IGAARM