smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002212344 132249663 /nfs/dbraw/zinc/24/96/63/132249663.db2.gz NSPWPTIBAVZHHZ-UHFFFAOYSA-N -1 0 417.922 2.836 50 0 HFAARM Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000032081219 524901412 /nfs/dbraw/zinc/90/14/12/524901412.db2.gz WDSCRKPIFCZRBQ-LBPRGKRZSA-N -1 0 408.863 2.887 50 0 HFAARM O=C([O-])Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000000692793 557061137 /nfs/dbraw/zinc/06/11/37/557061137.db2.gz OVELIIDAMMVYET-UHFFFAOYSA-N -1 0 404.378 2.955 50 0 HFAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 ZINC000000716858 557068358 /nfs/dbraw/zinc/06/83/58/557068358.db2.gz YZXUALRIOJRHRR-UHFFFAOYSA-N -1 0 423.402 2.724 50 0 HFAARM CC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1cccc(C(=O)[O-])c1 ZINC000000754587 557076256 /nfs/dbraw/zinc/07/62/56/557076256.db2.gz FXZOPUIQPGLDKV-UHFFFAOYSA-N -1 0 417.215 2.754 50 0 HFAARM O=C([O-])c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000000826689 557094128 /nfs/dbraw/zinc/09/41/28/557094128.db2.gz QNSDMEHBHFEFDW-HNNXBMFYSA-N -1 0 402.403 2.528 50 0 HFAARM Cc1c([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)c(=O)n(-c2ccccc2)n1C ZINC000000948517 557123704 /nfs/dbraw/zinc/12/37/04/557123704.db2.gz PAUPSGFIYPXNHI-QVKFZJNVSA-N -1 0 417.531 2.622 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)nc(OC)n1 ZINC000001750153 557284839 /nfs/dbraw/zinc/28/48/39/557284839.db2.gz FCOYOOGAZIDRGF-UHFFFAOYSA-N -1 0 420.472 2.608 50 0 HFAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000002407142 557345271 /nfs/dbraw/zinc/34/52/71/557345271.db2.gz WVJLDSPMGOLECZ-UHFFFAOYSA-N -1 0 402.476 2.888 50 0 HFAARM O=C(CCc1nnc(-c2cccc(OCC3CCC3)c2)[n-]c1=O)N1CCSCC1 ZINC000034765809 557462213 /nfs/dbraw/zinc/46/22/13/557462213.db2.gz OWVWWKSKLPVBJI-UHFFFAOYSA-N -1 0 414.531 2.931 50 0 HFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000004938176 557615053 /nfs/dbraw/zinc/61/50/53/557615053.db2.gz QBMRHADNLXPNPJ-UHFFFAOYSA-N -1 0 402.472 2.885 50 0 HFAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000012417686 558402575 /nfs/dbraw/zinc/40/25/75/558402575.db2.gz HKGCKYXPOCZAMH-UHFFFAOYSA-N -1 0 421.431 2.797 50 0 HFAARM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1 ZINC000020722747 558403606 /nfs/dbraw/zinc/40/36/06/558403606.db2.gz QHZIQLASQXOJFM-HXUWFJFHSA-N -1 0 413.499 2.609 50 0 HFAARM NC(=O)NCCC[C@H](NC(=O)CCn1c(-c2ccccc2)cc2ccccc21)C(=O)[O-] ZINC000020732852 558407059 /nfs/dbraw/zinc/40/70/59/558407059.db2.gz GFGLANZGWKMMLL-SFHVURJKSA-N -1 0 422.485 2.716 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 ZINC000012630877 558441806 /nfs/dbraw/zinc/44/18/06/558441806.db2.gz KSBUPVYNWBENOW-UHFFFAOYSA-N -1 0 413.473 2.829 50 0 HFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000013260067 558527900 /nfs/dbraw/zinc/52/79/00/558527900.db2.gz MMASOBWLBDINNY-FQEVSTJZSA-N -1 0 405.454 2.716 50 0 HFAARM CCCCN1C(=O)[N-]C(=O)/C(=C2\C[C@@H](c3ccc(C(C)C)cc3)N(C(C)=O)N2)C1=O ZINC000013570499 558541946 /nfs/dbraw/zinc/54/19/46/558541946.db2.gz VGHCBBKULHSCEA-VZCCSQPZSA-N -1 0 412.490 2.741 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000004484074 558603414 /nfs/dbraw/zinc/60/34/14/558603414.db2.gz PQHPVCVJHBDHRR-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM COc1cc(C(=O)Oc2cccc([C@@H]3N[C@H](C(=O)[O-])CS3)c2)cc(OC)c1OC ZINC000004554647 558722697 /nfs/dbraw/zinc/72/26/97/558722697.db2.gz QAZBUFQOZYPJNL-KBXCAEBGSA-N -1 0 419.455 2.720 50 0 HFAARM O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)NCc1cccs1 ZINC000015107349 558723256 /nfs/dbraw/zinc/72/32/56/558723256.db2.gz FMUDFSOKCAITJU-UHFFFAOYSA-N -1 0 415.475 2.694 50 0 HFAARM CCOc1cc([C@@H]2[C@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)ccc1O ZINC000004563485 558733195 /nfs/dbraw/zinc/73/31/95/558733195.db2.gz NDWNFEKGSDLQNB-RTBURBONSA-N -1 0 401.415 2.803 50 0 HFAARM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N1CCN(c2ccccn2)CC1 ZINC000016638862 558797408 /nfs/dbraw/zinc/79/74/08/558797408.db2.gz QFAVZRXGUPCAHX-UHFFFAOYSA-N -1 0 417.391 2.954 50 0 HFAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000017082419 558814530 /nfs/dbraw/zinc/81/45/30/558814530.db2.gz RBTGLBVYSJLRQL-CQSZACIVSA-N -1 0 402.472 2.877 50 0 HFAARM CCOC(=O)N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)CC)ccc3n2)CC1 ZINC000033010378 558829671 /nfs/dbraw/zinc/82/96/71/558829671.db2.gz VHLKCOVJYFIYGP-UHFFFAOYSA-N -1 0 400.435 2.560 50 0 HFAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2N2CCC3(CC2)OCCO3)cc1 ZINC000049402320 558848923 /nfs/dbraw/zinc/84/89/23/558848923.db2.gz QLTNFMCXUGRAQJ-UHFFFAOYSA-N -1 0 403.504 2.788 50 0 HFAARM CO[C@@H](C)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000071498063 558903231 /nfs/dbraw/zinc/90/32/31/558903231.db2.gz ZXJWGMHWHYTDJO-AWEZNQCLSA-N -1 0 405.472 2.780 50 0 HFAARM CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OCc1ccccc1 ZINC000058393490 558923673 /nfs/dbraw/zinc/92/36/73/558923673.db2.gz PXBCBMZUHXJXPR-KRWDZBQOSA-N -1 0 401.488 2.532 50 0 HFAARM O=C(Cc1nnn[n-]1)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067851466 558994102 /nfs/dbraw/zinc/99/41/02/558994102.db2.gz AGIGOBJNLOXCBS-UHFFFAOYSA-N -1 0 407.455 2.751 50 0 HFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)NCc2ccco2)CC4)cc1 ZINC000097111189 558995230 /nfs/dbraw/zinc/99/52/30/558995230.db2.gz JNMLIBWUDPWMRO-UHFFFAOYSA-N -1 0 419.441 2.559 50 0 HFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000100033046 559128850 /nfs/dbraw/zinc/12/88/50/559128850.db2.gz ITAOHVYKECGUGB-MSOLQXFVSA-N -1 0 409.471 2.649 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4Cl)c=3c2=O)cc1 ZINC000100033164 559128904 /nfs/dbraw/zinc/12/89/04/559128904.db2.gz LEJPCKKKWVMJFH-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM CC(C)(C)c1ccc(-n2c3nc(-c4ccccc4[O-])nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000005143494 559251564 /nfs/dbraw/zinc/25/15/64/559251564.db2.gz OQSQPYAXSSNPRY-UHFFFAOYSA-N -1 0 403.442 2.878 50 0 HFAARM Cc1ccc([C@H]2C[C@H](c3ccccc3)n3nc([N-]S(=O)(=O)N(C)C)nc3N2)cc1 ZINC000005178517 559289261 /nfs/dbraw/zinc/28/92/61/559289261.db2.gz OSKWTBJCZUDSRF-QZTJIDSGSA-N -1 0 412.519 2.951 50 0 HFAARM NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc1 ZINC000061719181 559293483 /nfs/dbraw/zinc/29/34/83/559293483.db2.gz CGEVLNQXSJECSC-AWEZNQCLSA-N -1 0 423.400 2.653 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]2O)ccc1C ZINC000078933488 560541038 /nfs/dbraw/zinc/54/10/38/560541038.db2.gz DMDBXIKAZZFOTD-FUHWJXTLSA-N -1 0 418.515 2.695 50 0 HFAARM Cc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc([N-]S(=O)(=O)N(C)C)nn32)cc1 ZINC000005574091 560623435 /nfs/dbraw/zinc/62/34/35/560623435.db2.gz FHIMTFZKQYZSNY-ZWKOTPCHSA-N -1 0 412.519 2.951 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000018162281 560780620 /nfs/dbraw/zinc/78/06/20/560780620.db2.gz DWCYKJHNHGROFL-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000101169015 560787635 /nfs/dbraw/zinc/78/76/35/560787635.db2.gz GQISNFKRUHGBEB-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(F)c5)c(=O)c3=4)n2)cc1 ZINC000101262207 560789970 /nfs/dbraw/zinc/78/99/70/560789970.db2.gz CVTVZXGJMBDEKS-ROUUACIJSA-N -1 0 420.404 2.986 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000101277608 560790413 /nfs/dbraw/zinc/79/04/13/560790413.db2.gz RCBYEWRYGDSUTI-ZWKOTPCHSA-N -1 0 418.413 2.547 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cc(F)ccc1F ZINC000101387347 560793905 /nfs/dbraw/zinc/79/39/05/560793905.db2.gz RNOLZPHIRDYQBX-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccc2c(c1)OCO2 ZINC000102922156 560834240 /nfs/dbraw/zinc/83/42/40/560834240.db2.gz ANKSCGMYCVFORL-UHFFFAOYSA-N -1 0 403.485 2.946 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc4ccccc43)c(=O)c1=2)Nc1cccc(F)c1 ZINC000102926274 560834364 /nfs/dbraw/zinc/83/43/64/560834364.db2.gz WNZUJUXVBMROAU-UXHICEINSA-N -1 0 417.400 2.911 50 0 HFAARM COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccc(OC)cc2)cc1 ZINC000102928463 560834547 /nfs/dbraw/zinc/83/45/47/560834547.db2.gz XCPBVRIIWZSNDM-UHFFFAOYSA-N -1 0 413.455 2.686 50 0 HFAARM COc1cc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)ccc1O ZINC000101329491 560851673 /nfs/dbraw/zinc/85/16/73/560851673.db2.gz QIODCYBHARFFQT-QMHWCDLVSA-N -1 0 424.453 2.628 50 0 HFAARM NC(=O)C1CCN([C@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022852605 568415601 /nfs/dbraw/zinc/41/56/01/568415601.db2.gz RJWQBJWWZNPWGT-CQSZACIVSA-N -1 0 413.459 2.636 50 0 HFAARM CS(=O)(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)c(C(=O)[O-])c1 ZINC000033252885 568511976 /nfs/dbraw/zinc/51/19/76/568511976.db2.gz KADMKKYDNQDNMZ-UHFFFAOYSA-N -1 0 409.895 2.736 50 0 HFAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCCCC1 ZINC000095349564 568600702 /nfs/dbraw/zinc/60/07/02/568600702.db2.gz AOJPXZWTOGPERU-GFCCVEGCSA-N -1 0 409.280 2.706 50 0 HFAARM O=C([O-])COc1ccccc1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000095425348 568607943 /nfs/dbraw/zinc/60/79/43/568607943.db2.gz RXCBFOCKWNPABU-UHFFFAOYSA-N -1 0 411.241 2.503 50 0 HFAARM O=S(=O)([N-]c1nccc(-n2nnc3ccccc32)n1)c1cc(F)ccc1Cl ZINC000225465562 568640464 /nfs/dbraw/zinc/64/04/64/568640464.db2.gz AOKQEKPCFKTMLN-UHFFFAOYSA-N -1 0 404.814 2.804 50 0 HFAARM COc1c2c(cc3c1[C@H](c1c([O-])[nH]c(=S)n(C(C)C)c1=O)N(C)CC3)OCO2 ZINC000020757129 568641536 /nfs/dbraw/zinc/64/15/36/568641536.db2.gz JVCBUPSCEATPDX-CQSZACIVSA-N -1 0 405.476 2.507 50 0 biogenic HFAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccc(Br)cc32)cc1 ZINC000225520400 568646469 /nfs/dbraw/zinc/64/64/69/568646469.db2.gz CDVCGQLWGKMSPP-OAHLLOKOSA-N -1 0 424.272 2.633 50 0 HFAARM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)cc1OC ZINC000096007923 568683192 /nfs/dbraw/zinc/68/31/92/568683192.db2.gz OXOUCZCHAKNZSQ-UHFFFAOYSA-N -1 0 418.393 2.895 50 0 HFAARM COC(=O)C[C@H](c1ccc(O)cc1)c1c([O-])nc2ccc(Br)cn2c1=O ZINC000096114114 568693742 /nfs/dbraw/zinc/69/37/42/568693742.db2.gz USNWRBTUBYTCGT-CYBMUJFWSA-N -1 0 419.231 2.563 50 0 biogenic HFAARM COc1ccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000096361018 568738839 /nfs/dbraw/zinc/73/88/39/568738839.db2.gz WHLLVTNYWASPHJ-UHFFFAOYSA-N -1 0 404.423 2.919 50 0 HFAARM O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(c2ncccn2)CC1 ZINC000021716384 568749999 /nfs/dbraw/zinc/74/99/99/568749999.db2.gz KEFHKDOCSBMZHR-UHFFFAOYSA-N -1 0 421.432 2.893 50 0 HFAARM CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000021882288 568757634 /nfs/dbraw/zinc/75/76/34/568757634.db2.gz LENLDHRXVQGSHC-UHFFFAOYSA-N -1 0 401.850 2.959 50 0 HFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N(C)C)o1 ZINC000097161293 568768999 /nfs/dbraw/zinc/76/89/99/568768999.db2.gz UBKGMTRHUISYMG-UHFFFAOYSA-N -1 0 424.866 2.834 50 0 HFAARM CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c1C ZINC000002503240 568777236 /nfs/dbraw/zinc/77/72/36/568777236.db2.gz MRQZNKIFTOLMOU-UHFFFAOYSA-N -1 0 403.464 2.869 50 0 HFAARM CCn1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NCCc2ccccc2)n1 ZINC000002809474 568811965 /nfs/dbraw/zinc/81/19/65/568811965.db2.gz QCDRBAMZTJTLKX-DLBZAZTESA-N -1 0 412.490 2.705 50 0 HFAARM COCCOc1ccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)cc1 ZINC000034763833 568825680 /nfs/dbraw/zinc/82/56/80/568825680.db2.gz NXFCNYGOTXVOAP-UHFFFAOYSA-N -1 0 400.479 2.651 50 0 HFAARM COc1cc(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)cc(OC)c1OC ZINC000003043698 568848182 /nfs/dbraw/zinc/84/81/82/568848182.db2.gz LINDCRYUNUHLJP-UHFFFAOYSA-N -1 0 401.444 2.724 50 0 HFAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2OC)cc1OC ZINC000003623278 568864447 /nfs/dbraw/zinc/86/44/47/568864447.db2.gz WYQYGJLBUHGMRV-HNNXBMFYSA-N -1 0 403.431 2.814 50 0 HFAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)NC1CCCC1 ZINC000003503229 568910559 /nfs/dbraw/zinc/91/05/59/568910559.db2.gz NIVJTMLXCJSYPX-UHFFFAOYSA-N -1 0 408.501 2.765 50 0 HFAARM CC(C)[C@H](NC(=O)[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(C)C)C(=O)[O-] ZINC000004000251 568932247 /nfs/dbraw/zinc/93/22/47/568932247.db2.gz IKQHJJBQDDDUBF-IRXDYDNUSA-N -1 0 407.898 2.812 50 0 biogenic HFAARM CCC[C@@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000004090425 568942036 /nfs/dbraw/zinc/94/20/36/568942036.db2.gz LOEUZMNUORITAJ-CQSZACIVSA-N -1 0 417.458 2.953 50 0 biogenic HFAARM CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCCC(=O)[O-])c12)OC(C)(C)CC3 ZINC000004090427 568942068 /nfs/dbraw/zinc/94/20/68/568942068.db2.gz RUNONZQVXQXFGB-UHFFFAOYSA-N -1 0 417.458 2.819 50 0 biogenic HFAARM COc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c(OC)c1 ZINC000004306507 568960643 /nfs/dbraw/zinc/96/06/43/568960643.db2.gz VRABTAOHCNHDHU-UHFFFAOYSA-N -1 0 407.473 2.546 50 0 HFAARM Cc1nc2nc(SCc3nc(-c4ccsc4)no3)nn2c(C)c1CC(=O)[O-] ZINC000012788835 568960725 /nfs/dbraw/zinc/96/07/25/568960725.db2.gz JPDGUWGFYYAUGS-UHFFFAOYSA-N -1 0 402.461 2.772 50 0 HFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)CCc1c(C)noc1C)CC2 ZINC000008156706 568978265 /nfs/dbraw/zinc/97/82/65/568978265.db2.gz VEYMFMSGBVNQQI-KRWDZBQOSA-N -1 0 402.447 2.842 50 0 HFAARM COc1ccccc1-c1cc(C(=O)[O-])c2c(=O)n(C)c(=O)n(Cc3ccccc3)c2n1 ZINC000008185433 568980360 /nfs/dbraw/zinc/98/03/60/568980360.db2.gz QLZGXRBPWGQEBL-UHFFFAOYSA-N -1 0 417.421 2.517 50 0 HFAARM COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000012002652 568987497 /nfs/dbraw/zinc/98/74/97/568987497.db2.gz RJVJLBVLJFUGEZ-UHFFFAOYSA-N -1 0 412.826 2.942 50 0 HFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000000803280 569007769 /nfs/dbraw/zinc/00/77/69/569007769.db2.gz NBRFVMAWIDIQQK-UHFFFAOYSA-N -1 0 413.455 2.969 50 0 HFAARM CCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)ccc21 ZINC000035480103 569038723 /nfs/dbraw/zinc/03/87/23/569038723.db2.gz ZNLRTLBYZDEHPK-UHFFFAOYSA-N -1 0 405.476 2.597 50 0 HFAARM Cc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N(Cc3ccco3)C3CC3)o2)s1 ZINC000035597593 569045814 /nfs/dbraw/zinc/04/58/14/569045814.db2.gz CJBAYUGKJDONGU-UHFFFAOYSA-N -1 0 408.461 2.638 50 0 HFAARM CCCCN1c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])c3cccc(c23)C1=O ZINC000001805656 569053482 /nfs/dbraw/zinc/05/34/82/569053482.db2.gz NYWHVZPORAEYRD-INIZCTEOSA-N -1 0 402.472 2.838 50 0 HFAARM COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)c1OC ZINC000245246790 569055365 /nfs/dbraw/zinc/05/53/65/569055365.db2.gz NXPTVHLJCHFOBK-ZRGWGRIASA-N -1 0 424.375 2.808 50 0 HFAARM COCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000016534109 569058418 /nfs/dbraw/zinc/05/84/18/569058418.db2.gz CNDLGPCKICEQHQ-WQRHYEAKSA-N -1 0 422.416 2.956 50 0 HFAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000016690091 569070597 /nfs/dbraw/zinc/07/05/97/569070597.db2.gz HCWXFBWCGNIFMA-HNNXBMFYSA-N -1 0 421.473 2.624 50 0 HFAARM CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CC(C)(C)OC3)CC1 ZINC000006764313 569114404 /nfs/dbraw/zinc/11/44/04/569114404.db2.gz MEKRQNUGVTXKHY-UHFFFAOYSA-N -1 0 411.480 2.604 50 0 HFAARM CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036357156 569148826 /nfs/dbraw/zinc/14/88/26/569148826.db2.gz GBJRXMIVLUYICG-OAQYLSRUSA-N -1 0 407.470 2.761 50 0 HFAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036365121 569152134 /nfs/dbraw/zinc/15/21/34/569152134.db2.gz XTFBQUPGIPLFDG-FQEVSTJZSA-N -1 0 411.433 2.964 50 0 HFAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)c2ccc(F)cc21 ZINC000036364965 569152572 /nfs/dbraw/zinc/15/25/72/569152572.db2.gz MYTNWAQCFUBBLH-OAQYLSRUSA-N -1 0 411.433 2.813 50 0 HFAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)c1 ZINC000065194064 569192697 /nfs/dbraw/zinc/19/26/97/569192697.db2.gz CVIKGZVFMQRLHT-UHFFFAOYSA-N -1 0 418.475 2.978 50 0 HFAARM O=C(NCc1ccc(F)cc1F)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249877 569205895 /nfs/dbraw/zinc/20/58/95/569205895.db2.gz AAMSKDYXGTWGQG-UHFFFAOYSA-N -1 0 410.380 2.687 50 0 HFAARM CCOc1ccc(OCCCC(=O)[N-]S(=O)(=O)N2CCOc3ccccc32)cc1 ZINC000065562667 569234071 /nfs/dbraw/zinc/23/40/71/569234071.db2.gz YWVMMMQZFFKDNV-UHFFFAOYSA-N -1 0 420.487 2.504 50 0 HFAARM Nc1nc(CN2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)nc2ccccc12 ZINC000170597774 569242249 /nfs/dbraw/zinc/24/22/49/569242249.db2.gz DOUHJQKFGXMEIH-UHFFFAOYSA-N -1 0 415.856 2.668 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NC[C@@H](C)c1ccccc1)c2=O ZINC000017113781 569274993 /nfs/dbraw/zinc/27/49/93/569274993.db2.gz ZJOBKBSRGYZOCU-CYBMUJFWSA-N -1 0 411.483 2.766 50 0 HFAARM CSCC[C@H](NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3)C(=O)[O-] ZINC000002099608 569281225 /nfs/dbraw/zinc/28/12/25/569281225.db2.gz FHJZOPHZKMJKRT-HNNXBMFYSA-N -1 0 419.499 2.682 50 0 biogenic HFAARM COc1cc2oc(=O)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(C)c2cc1OC ZINC000002124813 569286096 /nfs/dbraw/zinc/28/60/96/569286096.db2.gz JPXQHLGJCXEXLG-FQEVSTJZSA-N -1 0 411.410 2.603 50 0 biogenic HFAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002149731 569289919 /nfs/dbraw/zinc/28/99/19/569289919.db2.gz GMUITAQRKPMGHO-IBGZPJMESA-N -1 0 409.438 2.936 50 0 biogenic HFAARM CSCC[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000027528364 569364241 /nfs/dbraw/zinc/36/42/41/569364241.db2.gz QGRPCLJHUKICDK-XDPMZMSMSA-N -1 0 406.435 2.512 50 0 HFAARM CCOC(=O)[C@@]([N-]c1ncccn1)(NC(=O)c1ccccc1OCC)C(F)(F)F ZINC000002306040 569372392 /nfs/dbraw/zinc/37/23/92/569372392.db2.gz XIHAMTJUWXQIBL-KRWDZBQOSA-N -1 0 412.368 2.539 50 0 HFAARM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000157682910 569398980 /nfs/dbraw/zinc/39/89/80/569398980.db2.gz ZXWGKTNAYMLEAB-CQSZACIVSA-N -1 0 415.467 2.509 50 0 HFAARM O=C([N-]n1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1c(F)cccc1Cl ZINC000013036725 569407632 /nfs/dbraw/zinc/40/76/32/569407632.db2.gz MANQUVGWTUPFRD-UHFFFAOYSA-N -1 0 401.760 2.898 50 0 HFAARM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2n[nH]cc2Br)c1 ZINC000328594151 569415601 /nfs/dbraw/zinc/41/56/01/569415601.db2.gz VKNVQQJJVOQWRA-UHFFFAOYSA-N -1 0 424.118 2.802 50 0 HFAARM O=C(c1ccc(F)cc1)c1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000328594105 569415613 /nfs/dbraw/zinc/41/56/13/569415613.db2.gz PYGNEHDTKJECMI-UHFFFAOYSA-N -1 0 400.387 2.981 50 0 HFAARM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000328595933 569416069 /nfs/dbraw/zinc/41/60/69/569416069.db2.gz KXSCCHTWADFROD-JTQLQIEISA-N -1 0 405.297 2.634 50 0 HFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1csc(-c2ccsc2)n1 ZINC000008544621 571077628 /nfs/dbraw/zinc/07/76/28/571077628.db2.gz JAGWYQCACIXXEM-UHFFFAOYSA-N -1 0 402.453 2.994 50 0 HFAARM CC[C@H](NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3)C(=O)[O-] ZINC000008765114 571115300 /nfs/dbraw/zinc/11/53/00/571115300.db2.gz UCBHWOZFOOEZPU-AWEZNQCLSA-N -1 0 417.458 2.736 50 0 biogenic HFAARM Cc1cc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)ccc1Br ZINC000009117617 571224640 /nfs/dbraw/zinc/22/46/40/571224640.db2.gz LBRZFWFFGHGFTP-UHFFFAOYSA-N -1 0 414.306 2.936 50 0 HFAARM Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)[O-])C3=O)cc1C ZINC000009225133 571238768 /nfs/dbraw/zinc/23/87/68/571238768.db2.gz WNNIZJXNKMTMLF-UHFFFAOYSA-N -1 0 410.426 2.700 50 0 HFAARM O=C([O-])c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccc(F)c3)C2=O)ccc1O ZINC000009253734 571242983 /nfs/dbraw/zinc/24/29/83/571242983.db2.gz ITCDHIVCCIRHQR-CHHVJCJISA-N -1 0 416.386 2.905 50 0 HFAARM CCOc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(CCC4=CCCCC4)C3=O)NN2)cc1 ZINC000009330663 571248659 /nfs/dbraw/zinc/24/86/59/571248659.db2.gz VSBHPLLMYKGZFT-ONNQFXDFSA-N -1 0 424.501 2.847 50 0 HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)n1C ZINC000009685193 571279723 /nfs/dbraw/zinc/27/97/23/571279723.db2.gz JFZZYNWPAAYHNJ-UHFFFAOYSA-N -1 0 405.520 2.532 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCCCCC3)cs2)cc1 ZINC000009828618 571286993 /nfs/dbraw/zinc/28/69/93/571286993.db2.gz CIIFOXZXDNQOOA-UHFFFAOYSA-N -1 0 409.533 2.898 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1ccc(O)cc1 ZINC000013690091 571306543 /nfs/dbraw/zinc/30/65/43/571306543.db2.gz BIMFVGJXASWXDZ-UHFFFAOYSA-N -1 0 407.448 2.970 50 0 HFAARM Cc1ccc(NC(=O)Cc2csc([N-]S(C)(=O)=O)n2)c(Br)c1 ZINC000025057223 571308404 /nfs/dbraw/zinc/30/84/04/571308404.db2.gz FNIMUQIXGVBBCZ-UHFFFAOYSA-N -1 0 404.311 2.767 50 0 HFAARM CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(=O)c-3c([O-])c2OC(C)=O)cc1 ZINC000014757232 291216333 /nfs/dbraw/zinc/21/63/33/291216333.db2.gz DJKUFDVJACBQPB-UHFFFAOYSA-N -1 0 412.350 2.942 50 0 biogenic,in-vitro HFAARM COc1ccc2c(C)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(=O)oc2c1OC ZINC000252693018 525497474 /nfs/dbraw/zinc/49/74/74/525497474.db2.gz ABORBXNFRAQBPR-HDJSIYSDSA-N -1 0 417.458 2.668 50 0 biogenic HFAARM CSc1ccccc1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O ZINC000040282776 526167852 /nfs/dbraw/zinc/16/78/52/526167852.db2.gz INIZJQQCQWRTOV-UHFFFAOYSA-N -1 0 421.525 2.847 50 0 HFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)C1 ZINC000032081663 527657601 /nfs/dbraw/zinc/65/76/01/527657601.db2.gz GHKDPNLPICPXCL-SNVBAGLBSA-N -1 0 412.826 2.717 50 0 HFAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(OC)c1OC ZINC000004386316 536815835 /nfs/dbraw/zinc/81/58/35/536815835.db2.gz YACMFAATTMTIHT-UHFFFAOYSA-N -1 0 402.447 2.859 50 0 HFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1 ZINC000000633034 557027920 /nfs/dbraw/zinc/02/79/20/557027920.db2.gz MJVPMBJMMXFAPM-UHFFFAOYSA-N -1 0 414.468 2.702 50 0 HFAARM COc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)s2)cc1 ZINC000000789846 557080985 /nfs/dbraw/zinc/08/09/85/557080985.db2.gz DXGDMHTXUJGCGK-UHFFFAOYSA-N -1 0 418.500 2.897 50 0 HFAARM CC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022627478 557113552 /nfs/dbraw/zinc/11/35/52/557113552.db2.gz VHNGXVDRRWHORR-HNNXBMFYSA-N -1 0 405.911 2.712 50 0 HFAARM C[C@H](NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002049264 557300367 /nfs/dbraw/zinc/30/03/67/557300367.db2.gz MPRWRADRWSUPBE-BBRMVZONSA-N -1 0 408.495 2.889 50 0 HFAARM COc1cc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc(OC)c1OC ZINC000002997977 557439159 /nfs/dbraw/zinc/43/91/59/557439159.db2.gz MDUWDTILQZTFOE-UHFFFAOYSA-N -1 0 404.444 2.846 50 0 HFAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCC(=O)[O-])cc1 ZINC000004802223 557598790 /nfs/dbraw/zinc/59/87/90/557598790.db2.gz CXPIFLZDLARQDJ-NBVRZTHBSA-N -1 0 400.431 2.820 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)cc1 ZINC000004969698 557618283 /nfs/dbraw/zinc/61/82/83/557618283.db2.gz YNVBAMHOAFRANN-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM CS(=O)(=O)N1CCC[C@H](c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)C1 ZINC000002730722 557754009 /nfs/dbraw/zinc/75/40/09/557754009.db2.gz BZMJNWHVHIXLJD-HNNXBMFYSA-N -1 0 418.548 2.666 50 0 HFAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855105 557842290 /nfs/dbraw/zinc/84/22/90/557842290.db2.gz FDTHUYWHQFVMAI-MRXNPFEDSA-N -1 0 419.938 2.966 50 0 HFAARM CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855227 557842453 /nfs/dbraw/zinc/84/24/53/557842453.db2.gz DEBXJJUNZHHCHI-QGZVFWFLSA-N -1 0 418.519 2.622 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4)c=3c2=O)cc1Cl ZINC000009748360 557849434 /nfs/dbraw/zinc/84/94/34/557849434.db2.gz CJDOBEKZPUNZQL-IAGOWNOFSA-N -1 0 415.812 2.719 50 0 HFAARM CC(C)CCn1c2nnc(-c3c(F)cccc3Cl)n2c2c1c(=O)nc([O-])n2C ZINC000010964410 558261706 /nfs/dbraw/zinc/26/17/06/558261706.db2.gz ZZQZVYFUIOBNEH-UHFFFAOYSA-N -1 0 404.833 2.989 50 0 HFAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012631251 558441908 /nfs/dbraw/zinc/44/19/08/558441908.db2.gz TUJHBHVVBAXBEZ-UHFFFAOYSA-N -1 0 404.473 2.538 50 0 HFAARM COc1ccc(CNC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1C(=O)[O-] ZINC000012941260 558487100 /nfs/dbraw/zinc/48/71/00/558487100.db2.gz LRLZSTCLGDXKCL-UHFFFAOYSA-N -1 0 400.822 2.866 50 0 HFAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013251942 558527961 /nfs/dbraw/zinc/52/79/61/558527961.db2.gz OSWGAIVLSPZGIN-KBPBESRZSA-N -1 0 412.895 2.730 50 0 HFAARM O=C([O-])c1cc(Cl)ccc1NC(=O)CSc1nnnn1Cc1cccs1 ZINC000013276458 558528660 /nfs/dbraw/zinc/52/86/60/558528660.db2.gz QYLGZCUEIABWHW-UHFFFAOYSA-N -1 0 409.880 2.865 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C ZINC000004483995 558603283 /nfs/dbraw/zinc/60/32/83/558603283.db2.gz NESPHUKJXPHBLE-MSOLQXFVSA-N -1 0 413.384 2.514 50 0 HFAARM O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000036056660 558797237 /nfs/dbraw/zinc/79/72/37/558797237.db2.gz BLUSYAKAHOJHAT-WOSRLPQWSA-N -1 0 414.361 2.581 50 0 HFAARM COc1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(c4ccccc4OC)C3=O)NN2)cc1 ZINC000017043132 558812711 /nfs/dbraw/zinc/81/27/11/558812711.db2.gz ULLFWSINHSUAHD-JZYMCLRRSA-N -1 0 408.414 2.620 50 0 HFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000017092278 558820654 /nfs/dbraw/zinc/82/06/54/558820654.db2.gz NBOUAFWGZWAPKT-KGLIPLIRSA-N -1 0 420.531 2.929 50 0 HFAARM CCCCC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)c(C(=O)[O-])c1 ZINC000033078809 558868100 /nfs/dbraw/zinc/86/81/00/558868100.db2.gz XNMHKJFPXRPCHS-UHFFFAOYSA-N -1 0 418.538 2.550 50 0 HFAARM CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000033078749 558868103 /nfs/dbraw/zinc/86/81/03/558868103.db2.gz YJNHYJUSDVVVFH-UHFFFAOYSA-N -1 0 401.850 2.959 50 0 HFAARM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3ccccn3)cc21 ZINC000033129800 558885674 /nfs/dbraw/zinc/88/56/74/558885674.db2.gz PWGFHNMWXSVJAV-UHFFFAOYSA-N -1 0 414.531 2.602 50 0 HFAARM COC(=O)c1cccc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000058267746 558915850 /nfs/dbraw/zinc/91/58/50/558915850.db2.gz RVAFNCQZTMWICK-UHFFFAOYSA-N -1 0 407.444 2.826 50 0 HFAARM Cc1cccc(N2CCN(c3ccc(NS(C)(=O)=O)cc3C(=O)[O-])CC2)c1C ZINC000033253001 558921338 /nfs/dbraw/zinc/92/13/38/558921338.db2.gz RIGKQIJNPHQOTA-UHFFFAOYSA-N -1 0 403.504 2.700 50 0 HFAARM COc1cc(F)ccc1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCSCC2)c1 ZINC000072120801 558928166 /nfs/dbraw/zinc/92/81/66/558928166.db2.gz UVBCFPSRTJLEOY-UHFFFAOYSA-N -1 0 411.476 2.937 50 0 HFAARM Cc1cccc(N2CCN(c3ccc(NS(C)(=O)=O)c(C(=O)[O-])c3)CC2)c1C ZINC000033259922 558928795 /nfs/dbraw/zinc/92/87/95/558928795.db2.gz DAYGTMXWDWWRNJ-UHFFFAOYSA-N -1 0 403.504 2.700 50 0 HFAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000097940955 558945951 /nfs/dbraw/zinc/94/59/51/558945951.db2.gz WOTDVTLMESFMOV-UHFFFAOYSA-N -1 0 406.439 2.928 50 0 HFAARM Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000065362322 558972993 /nfs/dbraw/zinc/97/29/93/558972993.db2.gz OETZKBVOTBLGSH-INIZCTEOSA-N -1 0 418.457 2.743 50 0 HFAARM Cc1cncc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4cccnc4)ccc3C2)c1 ZINC000077421602 559004627 /nfs/dbraw/zinc/00/46/27/559004627.db2.gz JHZGRHKMBDOWKU-UHFFFAOYSA-N -1 0 408.483 2.784 50 0 HFAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O ZINC000004734562 559034099 /nfs/dbraw/zinc/03/40/99/559034099.db2.gz GDTNUBDCJPYULZ-SFHVURJKSA-N -1 0 412.467 2.646 50 0 HFAARM COc1ccccc1CN(CC(=O)[O-])C(=O)C1CCN(C(=O)C2CCCC2)CC1 ZINC000095510481 559083784 /nfs/dbraw/zinc/08/37/84/559083784.db2.gz FLQWYTXRNGNEQF-UHFFFAOYSA-N -1 0 402.491 2.537 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1 ZINC000100036702 559129006 /nfs/dbraw/zinc/12/90/06/559129006.db2.gz GVQCTACUCUEQRH-PMACEKPBSA-N -1 0 405.458 2.798 50 0 HFAARM CCCn1c(=O)c(C(=O)Nc2nc(CC(=O)OCC)cs2)c([O-])c2ccccc21 ZINC000100658558 559137495 /nfs/dbraw/zinc/13/74/95/559137495.db2.gz IFRXSPVBMMFTAO-UHFFFAOYSA-N -1 0 415.471 2.932 50 0 HFAARM Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])c1C ZINC000004884189 559197645 /nfs/dbraw/zinc/19/76/45/559197645.db2.gz RCBGZBPRVNOPQZ-UHFFFAOYSA-N -1 0 402.472 2.858 50 0 HFAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NC[C@H]4CCCO4)c3=O)c2c1 ZINC000004950986 559215875 /nfs/dbraw/zinc/21/58/75/559215875.db2.gz WLYBYPTUGOOANV-CYBMUJFWSA-N -1 0 416.503 2.624 50 0 HFAARM CSC[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] ZINC000033915826 559292452 /nfs/dbraw/zinc/29/24/52/559292452.db2.gz FIXCNOZROSYGJD-ABPVARSCSA-N -1 0 402.447 2.529 50 0 HFAARM COC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005217567 560543961 /nfs/dbraw/zinc/54/39/61/560543961.db2.gz HJLSPDPFMNFHQY-AEFFLSMTSA-N -1 0 411.845 2.864 50 0 HFAARM CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000005323054 560568648 /nfs/dbraw/zinc/56/86/48/560568648.db2.gz LWMJZLDWYVEBBB-HOTGVXAUSA-N -1 0 408.520 2.671 50 0 HFAARM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3-n3cncn3)ccc2N1 ZINC000005403219 560583971 /nfs/dbraw/zinc/58/39/71/560583971.db2.gz HLHGNVHYLIIVKQ-UHFFFAOYSA-N -1 0 403.851 2.606 50 0 HFAARM O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000017519631 560717705 /nfs/dbraw/zinc/71/77/05/560717705.db2.gz XPGZJKCKRXPGJI-MDZDMXLPSA-N -1 0 413.861 2.882 50 0 HFAARM COc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCCCC3)nc2N(C)C)cc1C ZINC000206733974 560740324 /nfs/dbraw/zinc/74/03/24/560740324.db2.gz DTLTVNIZLWVGIZ-UHFFFAOYSA-N -1 0 419.551 2.959 50 0 HFAARM COc1ccc(CNC(=O)c2csc([N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000011693217 560773477 /nfs/dbraw/zinc/77/34/77/560773477.db2.gz WAZHZBNWTSWPLT-UHFFFAOYSA-N -1 0 409.514 2.944 50 0 HFAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1ccc(OC)cc1OC ZINC000018045599 560774377 /nfs/dbraw/zinc/77/43/77/560774377.db2.gz FDSKOGBOOWPPEN-UHFFFAOYSA-N -1 0 408.407 2.912 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(F)c4)c=3c2=O)cc1C ZINC000101169420 560787739 /nfs/dbraw/zinc/78/77/39/560787739.db2.gz MGXTYNDWNBDIAK-MOPGFXCFSA-N -1 0 409.421 2.683 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(F)c4)c=3c2=O)cc1C ZINC000101169415 560787742 /nfs/dbraw/zinc/78/77/42/560787742.db2.gz MGXTYNDWNBDIAK-OALUTQOASA-N -1 0 409.421 2.683 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(F)c5)c(=O)c3=4)n2)cc1 ZINC000101262211 560789914 /nfs/dbraw/zinc/78/99/14/560789914.db2.gz CVTVZXGJMBDEKS-QZTJIDSGSA-N -1 0 420.404 2.986 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)cc1C ZINC000101277490 560790272 /nfs/dbraw/zinc/79/02/72/560790272.db2.gz CGUDLPOXOACCTN-MSOLQXFVSA-N -1 0 402.414 2.847 50 0 HFAARM COc1ccc(C=CC(O)=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1O ZINC000101372384 560793043 /nfs/dbraw/zinc/79/30/43/560793043.db2.gz SRWKGLNJBKSENP-UXRFKOHSSA-N -1 0 410.382 2.518 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000101389428 560793997 /nfs/dbraw/zinc/79/39/97/560793997.db2.gz ZVLFEADIGQOIOX-UXHICEINSA-N -1 0 405.458 2.798 50 0 HFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1 ZINC000101417038 560794776 /nfs/dbraw/zinc/79/47/76/560794776.db2.gz QIJNGLDUBFFTBF-RBUKOAKNSA-N -1 0 409.421 2.881 50 0 HFAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1cccs1 ZINC000101456550 560795497 /nfs/dbraw/zinc/79/54/97/560795497.db2.gz BQQAYTZSMSOJLW-CQSZACIVSA-N -1 0 402.476 2.507 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1 ZINC000101893753 560804538 /nfs/dbraw/zinc/80/45/38/560804538.db2.gz LBAZLUOBKMHOIB-ROUUACIJSA-N -1 0 402.414 2.847 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)c1 ZINC000102655023 560819109 /nfs/dbraw/zinc/81/91/09/560819109.db2.gz HNMWFFKFLOCFEW-GFCCVEGCSA-N -1 0 402.472 2.901 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc4ccccc43)c(=O)c1=2)Nc1cccc(F)c1 ZINC000102926271 560834374 /nfs/dbraw/zinc/83/43/74/560834374.db2.gz WNZUJUXVBMROAU-PMACEKPBSA-N -1 0 417.400 2.911 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N(C)C)o2)cc1 ZINC000097161488 560849949 /nfs/dbraw/zinc/84/99/49/560849949.db2.gz OAIUXJGJRHSQFG-UHFFFAOYSA-N -1 0 404.448 2.571 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)n2)c1 ZINC000101271005 560851472 /nfs/dbraw/zinc/85/14/72/560851472.db2.gz OLISIKBCMXYWCP-IRXDYDNUSA-N -1 0 406.377 2.678 50 0 HFAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 ZINC000085808610 568442236 /nfs/dbraw/zinc/44/22/36/568442236.db2.gz PIAMIXXYLFWPBL-UHFFFAOYSA-N -1 0 415.475 2.718 50 0 HFAARM CC(=O)c1ccc(N2CCN(C(=O)c3csc([N-]c4ncccn4)n3)CC2)cc1 ZINC000049032229 568445930 /nfs/dbraw/zinc/44/59/30/568445930.db2.gz WSOWVXKHOGTYMT-UHFFFAOYSA-N -1 0 408.487 2.842 50 0 HFAARM Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)c2)no1 ZINC000000645324 568457230 /nfs/dbraw/zinc/45/72/30/568457230.db2.gz MXMGOYUGXZXURC-UHFFFAOYSA-N -1 0 401.400 2.734 50 0 HFAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000012341961 568483243 /nfs/dbraw/zinc/48/32/43/568483243.db2.gz NVQOESXELHFULK-INIZCTEOSA-N -1 0 421.473 2.591 50 0 HFAARM COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000020035235 568586498 /nfs/dbraw/zinc/58/64/98/568586498.db2.gz UZSUXXSWESPMFJ-DTBYZMGXSA-N -1 0 410.470 3.000 50 0 HFAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)c1 ZINC000095445371 568611866 /nfs/dbraw/zinc/61/18/66/568611866.db2.gz PXMSJXYLOABVML-UHFFFAOYSA-N -1 0 424.529 2.757 50 0 HFAARM O=C([O-])CNC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000095969615 568671226 /nfs/dbraw/zinc/67/12/26/568671226.db2.gz XFJCYFSATUVIMD-UHFFFAOYSA-N -1 0 402.516 2.678 50 0 HFAARM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000242197039 568732251 /nfs/dbraw/zinc/73/22/51/568732251.db2.gz XHGTWSFVYCJASJ-MISXGVKJSA-N -1 0 405.875 2.760 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccccc2OC)cc1 ZINC000096361025 568738859 /nfs/dbraw/zinc/73/88/59/568738859.db2.gz QLSXZRIKKZCBIJ-UHFFFAOYSA-N -1 0 416.459 2.788 50 0 HFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C)no2)cc1 ZINC000096379749 568741492 /nfs/dbraw/zinc/74/14/92/568741492.db2.gz DKYJRJVRBWCRHR-UHFFFAOYSA-N -1 0 404.448 2.967 50 0 HFAARM CCOc1nc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)nc(-c2ccccc2)n1 ZINC000001074352 568766906 /nfs/dbraw/zinc/76/69/06/568766906.db2.gz GQCHWGPVFMLONQ-UHFFFAOYSA-N -1 0 413.459 2.756 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N(C)C)o2)cc1Cl ZINC000097161481 568769151 /nfs/dbraw/zinc/76/91/51/568769151.db2.gz IQYIQRLWXZFSCG-UHFFFAOYSA-N -1 0 424.866 2.834 50 0 HFAARM CCn1ncc(S(=O)(=O)[N-]c2ncn(Cc3c(Cl)cccc3Cl)n2)c1C ZINC000002804351 568811676 /nfs/dbraw/zinc/81/16/76/568811676.db2.gz VEQFIURUABSJBS-UHFFFAOYSA-N -1 0 415.306 2.959 50 0 HFAARM Cc1cnc2c(cccc2S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000012522836 568842329 /nfs/dbraw/zinc/84/23/29/568842329.db2.gz DHPDLENPLFQWSE-UHFFFAOYSA-N -1 0 400.485 2.662 50 0 HFAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCCC1 ZINC000003043745 568848203 /nfs/dbraw/zinc/84/82/03/568848203.db2.gz MSTDJRPGKBNOHF-UHFFFAOYSA-N -1 0 409.467 2.698 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccnc1N1CCCC1 ZINC000012548697 568851832 /nfs/dbraw/zinc/85/18/32/568851832.db2.gz CMAJWIROYBREHE-UHFFFAOYSA-N -1 0 424.486 2.525 50 0 HFAARM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000058162670 568894790 /nfs/dbraw/zinc/89/47/90/568894790.db2.gz MKEAIOZEPQBMEC-UHFFFAOYSA-N -1 0 416.463 2.941 50 0 HFAARM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])c2ccccc2oc1=O ZINC000217594266 568896265 /nfs/dbraw/zinc/89/62/65/568896265.db2.gz CMTKIGCXWDKNPP-ZDUSSCGKSA-N -1 0 400.383 2.916 50 0 biogenic HFAARM CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(=O)[O-] ZINC000003652909 568922806 /nfs/dbraw/zinc/92/28/06/568922806.db2.gz RDNLLKPFSWRYQP-CXUHLZMHSA-N -1 0 414.389 2.781 50 0 HFAARM Cc1noc(-c2ccc(S(=O)(=O)NCCc3nc(-c4cccnc4)no3)o2)c1C ZINC000670455802 568933810 /nfs/dbraw/zinc/93/38/10/568933810.db2.gz UMECTFDPIUKSOY-UHFFFAOYSA-N -1 0 415.431 2.517 50 0 HFAARM CCOc1ccccc1Oc1coc2cc(OCC(=O)NCC(=O)[O-])ccc2c1=O ZINC000004227498 568952880 /nfs/dbraw/zinc/95/28/80/568952880.db2.gz PMPJMTPAMMMKDQ-UHFFFAOYSA-N -1 0 413.382 2.564 50 0 biogenic HFAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000008132804 568976038 /nfs/dbraw/zinc/97/60/38/568976038.db2.gz PQQVLBCNUNWBLE-IBGZPJMESA-N -1 0 416.499 2.725 50 0 HFAARM CC(C)C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)[O-] ZINC000008156855 568978212 /nfs/dbraw/zinc/97/82/12/568978212.db2.gz LHWMRVQKLXXNGQ-LJQANCHMSA-N -1 0 424.563 2.799 50 0 HFAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nnc(N(C)C)o3)cc2)cc1OC ZINC000089326992 569058603 /nfs/dbraw/zinc/05/86/03/569058603.db2.gz WXNTWBUQSMTHFY-UHFFFAOYSA-N -1 0 422.438 2.760 50 0 HFAARM CCN(CC)S(=O)(=O)c1cccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000252427959 569059424 /nfs/dbraw/zinc/05/94/24/569059424.db2.gz LTMYULHXCFXWND-UHFFFAOYSA-N -1 0 413.503 2.908 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1 ZINC000064565333 569067003 /nfs/dbraw/zinc/06/70/03/569067003.db2.gz LBAZLUOBKMHOIB-QZTJIDSGSA-N -1 0 402.414 2.847 50 0 HFAARM COc1ccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccccc2OC)cc1 ZINC000064580129 569068408 /nfs/dbraw/zinc/06/84/08/569068408.db2.gz ZKZQPEGYYGPFCI-UHFFFAOYSA-N -1 0 419.441 2.590 50 0 HFAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000064988028 569145508 /nfs/dbraw/zinc/14/55/08/569145508.db2.gz NIBMZYWKKFMNDX-UHFFFAOYSA-N -1 0 407.835 2.762 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1-n1cnnn1 ZINC000036357823 569149280 /nfs/dbraw/zinc/14/92/80/569149280.db2.gz BCGNMBLYCFSQJY-UHFFFAOYSA-N -1 0 400.247 2.779 50 0 HFAARM CC(C)Cc1nnc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)s1 ZINC000036358513 569149765 /nfs/dbraw/zinc/14/97/65/569149765.db2.gz SASGIBTUMRZAPL-UHFFFAOYSA-N -1 0 411.534 2.970 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)c1 ZINC000065194084 569192723 /nfs/dbraw/zinc/19/27/23/569192723.db2.gz ZZPZICKXUPYDIR-UHFFFAOYSA-N -1 0 406.464 2.818 50 0 HFAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2C1 ZINC000065196170 569194495 /nfs/dbraw/zinc/19/44/95/569194495.db2.gz TWJATLLYZVTSSG-UHFFFAOYSA-N -1 0 410.517 2.861 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1F ZINC000065196250 569194607 /nfs/dbraw/zinc/19/46/07/569194607.db2.gz QPKUIGOHBLSIDT-UHFFFAOYSA-N -1 0 410.492 2.991 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000007055962 569214438 /nfs/dbraw/zinc/21/44/38/569214438.db2.gz ZWCXRFOZWXQFFV-UHFFFAOYSA-N -1 0 416.546 2.732 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)N(CC)CC ZINC000007055606 569214484 /nfs/dbraw/zinc/21/44/84/569214484.db2.gz XCVLDSZVUCUDRK-UHFFFAOYSA-N -1 0 418.562 2.978 50 0 HFAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nnc(C)s2)cc1)C(=O)[O-] ZINC000037018977 569235131 /nfs/dbraw/zinc/23/51/31/569235131.db2.gz JGGQEDJDMZRMAQ-QROTZFDESA-N -1 0 406.489 2.935 50 0 HFAARM COCCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000007551196 569249136 /nfs/dbraw/zinc/24/91/36/569249136.db2.gz YPNUFPMAVVSIPQ-KRWDZBQOSA-N -1 0 410.854 2.735 50 0 HFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000170623107 569249661 /nfs/dbraw/zinc/24/96/61/569249661.db2.gz HETBIKMHZZTEOH-TXEJJXNPSA-N -1 0 412.439 2.620 50 0 HFAARM O=C([C@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000013696668 569257148 /nfs/dbraw/zinc/25/71/48/569257148.db2.gz AOLCZTYOQFPXPM-QGZVFWFLSA-N -1 0 408.426 2.834 50 0 HFAARM CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@@]23C(=O)[O-])cc1 ZINC000089893450 569267834 /nfs/dbraw/zinc/26/78/34/569267834.db2.gz FSNTVUIAFJNAPQ-HSZRJFAPSA-N -1 0 416.437 2.974 50 0 HFAARM C[C@H](CCNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)[S@](C)=O ZINC000089895469 569267977 /nfs/dbraw/zinc/26/79/77/569267977.db2.gz SPIXHRTYMQYIBW-LOKFHWFJSA-N -1 0 409.577 2.893 50 0 HFAARM Cc1c(OCC(=O)N[C@@H](C)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002102641 569281465 /nfs/dbraw/zinc/28/14/65/569281465.db2.gz SECGYHKTCCQQKE-HNNXBMFYSA-N -1 0 409.438 2.969 50 0 biogenic HFAARM COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N[C@@H](C)C(=O)[O-])ccc23)cc1 ZINC000002116824 569284610 /nfs/dbraw/zinc/28/46/10/569284610.db2.gz WUMXSDCILMCBJZ-ZDUSSCGKSA-N -1 0 411.410 2.745 50 0 biogenic HFAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000007708751 569301535 /nfs/dbraw/zinc/30/15/35/569301535.db2.gz VIKVMYIZECSDNV-UHFFFAOYSA-N -1 0 400.508 2.823 50 0 HFAARM CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000252676059 569319580 /nfs/dbraw/zinc/31/95/80/569319580.db2.gz VWMBWCXLFRQHFT-GFCCVEGCSA-N -1 0 410.451 2.708 50 0 HFAARM COc1ccc(C2=NO[C@@H](CNC(=O)c3nn(-c4ccc(F)cc4C)cc3[O-])C2)cc1 ZINC000253392254 569364997 /nfs/dbraw/zinc/36/49/97/569364997.db2.gz QRSAOUKZJVSQPW-QGZVFWFLSA-N -1 0 424.432 2.957 50 0 HFAARM CN1CCN([C@H](c2sc3ncnn3c2[O-])c2ccccc2OC(F)(F)F)CC1 ZINC000252497047 569387665 /nfs/dbraw/zinc/38/76/65/569387665.db2.gz PXXVXFXDYKMCFD-ZDUSSCGKSA-N -1 0 413.425 2.732 50 0 HFAARM Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc([N-]S(=O)(=O)N(C)C)nc3N2)cc1 ZINC000002414243 569397202 /nfs/dbraw/zinc/39/72/02/569397202.db2.gz OSKWTBJCZUDSRF-ZWKOTPCHSA-N -1 0 412.519 2.951 50 0 HFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1C ZINC000013079097 569408861 /nfs/dbraw/zinc/40/88/61/569408861.db2.gz NXCPIWORMZKXJO-UHFFFAOYSA-N -1 0 419.427 2.799 50 0 HFAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cc1 ZINC000013317503 569410655 /nfs/dbraw/zinc/41/06/55/569410655.db2.gz PSPTWKUACWIXMN-UHFFFAOYSA-N -1 0 404.488 2.975 50 0 HFAARM CCc1[nH]nc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1C(=O)OC ZINC000048991569 571040974 /nfs/dbraw/zinc/04/09/74/571040974.db2.gz HJJQXRYOFNMOSU-UHFFFAOYSA-N -1 0 402.270 2.630 50 0 HFAARM O=S(=O)(Cc1noc2ccccc21)NC[C@@](O)(c1ccoc1)c1cccs1 ZINC000245039176 571212364 /nfs/dbraw/zinc/21/23/64/571212364.db2.gz OJAQGPNFTRJXEU-GOSISDBHSA-N -1 0 404.469 2.838 50 0 HFAARM COC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009120534 571225433 /nfs/dbraw/zinc/22/54/33/571225433.db2.gz XOCWQMXJOBCWNW-JTQLQIEISA-N -1 0 424.953 2.516 50 0 HFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccccc3)cc2OC)c1 ZINC000009376597 571252931 /nfs/dbraw/zinc/25/29/31/571252931.db2.gz BDCHRKBWYQBLEN-UHFFFAOYSA-N -1 0 401.444 2.632 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000009675332 571278860 /nfs/dbraw/zinc/27/88/60/571278860.db2.gz CNSVALQOZZCNAR-IAGOWNOFSA-N -1 0 415.812 2.719 50 0 HFAARM COc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1C(=O)[O-] ZINC000071833037 571302805 /nfs/dbraw/zinc/30/28/05/571302805.db2.gz OSELTIJNHBCJEF-UHFFFAOYSA-N -1 0 412.261 2.907 50 0 HFAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cs1 ZINC000024831938 571309916 /nfs/dbraw/zinc/30/99/16/571309916.db2.gz JNNJKYBXZQMPTM-UHFFFAOYSA-N -1 0 411.839 2.951 50 0 HFAARM CC(=O)N1N/C(=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000009318708 132338664 /nfs/dbraw/zinc/33/86/64/132338664.db2.gz MFUZVIQLUNFIBE-HMNTXPNISA-N -1 0 424.844 2.675 50 0 HFAARM CC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000042252844 518393137 /nfs/dbraw/zinc/39/31/37/518393137.db2.gz FGTLBULHWALGLT-UHFFFAOYSA-N -1 0 418.290 2.597 50 0 HFAARM COc1cc(/C=c2\sc3nc4c(ccc(C)c4C)n3c2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000033145599 522014160 /nfs/dbraw/zinc/01/41/60/522014160.db2.gz XBXOWPHMGVKOCQ-CCOVPTLTSA-N -1 0 424.478 2.934 50 0 HFAARM COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)c1 ZINC000032194192 522237154 /nfs/dbraw/zinc/23/71/54/522237154.db2.gz VRLZEGOSZBKRPH-UHFFFAOYSA-N -1 0 411.439 2.921 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)c(OC)c1 ZINC000032943671 524694256 /nfs/dbraw/zinc/69/42/56/524694256.db2.gz AMVOVDBXNGEKBH-UHFFFAOYSA-N -1 0 408.501 2.963 50 0 HFAARM Cc1cc(Oc2cnccn2)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000032932323 525386200 /nfs/dbraw/zinc/38/62/00/525386200.db2.gz KHAKQBPGWATVDA-UHFFFAOYSA-N -1 0 415.427 2.842 50 0 HFAARM O=C([O-])c1cc(N2C(=O)c3ccccc3C2=O)cc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000754766 557076481 /nfs/dbraw/zinc/07/64/81/557076481.db2.gz XVGCZVVFYZUMKZ-UHFFFAOYSA-N -1 0 412.357 2.986 50 0 HFAARM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000000780015 557078233 /nfs/dbraw/zinc/07/82/33/557078233.db2.gz BMUWWJAHVAUEQS-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)no1 ZINC000001034198 557148989 /nfs/dbraw/zinc/14/89/89/557148989.db2.gz JKEJHTDYSCYANZ-UHFFFAOYSA-N -1 0 409.427 2.979 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000001130617 557197776 /nfs/dbraw/zinc/19/77/76/557197776.db2.gz DKXJGJVDFGSICG-UHFFFAOYSA-N -1 0 410.879 2.961 50 0 HFAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc3c(c1)OCCO3)CCCC2 ZINC000001131207 557198546 /nfs/dbraw/zinc/19/85/46/557198546.db2.gz TUCPSBJSYVWPTL-UHFFFAOYSA-N -1 0 409.485 2.986 50 0 HFAARM COc1ccc(CCNS(=O)(=O)c2cc(/C=C/C(=O)[O-])ccc2C)cc1OC ZINC000001184522 557233028 /nfs/dbraw/zinc/23/30/28/557233028.db2.gz JAVDWKUOYKUUQF-VQHVLOKHSA-N -1 0 405.472 2.631 50 0 HFAARM O=C([O-])CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000004408841 557552555 /nfs/dbraw/zinc/55/25/55/557552555.db2.gz XIMUOZSLXSQVKT-UHFFFAOYSA-N -1 0 417.224 2.571 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1C ZINC000004483215 557558796 /nfs/dbraw/zinc/55/87/96/557558796.db2.gz RLODVUONNDHYKK-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2Br)cc1 ZINC000013463514 558533061 /nfs/dbraw/zinc/53/30/61/558533061.db2.gz WKWZLCIFBJLTDB-UHFFFAOYSA-N -1 0 414.233 2.873 50 0 HFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000013566658 558541290 /nfs/dbraw/zinc/54/12/90/558541290.db2.gz BTKIXQSJUMFMMQ-UHFFFAOYSA-N -1 0 424.482 2.771 50 0 HFAARM O=C(c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1)N1CCOCC1 ZINC000013734742 558588202 /nfs/dbraw/zinc/58/82/02/558588202.db2.gz JFNARSSMOAEEGK-UHFFFAOYSA-N -1 0 421.475 2.709 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1C ZINC000004484108 558603417 /nfs/dbraw/zinc/60/34/17/558603417.db2.gz QTNRYJHUERNZRS-PMACEKPBSA-N -1 0 405.458 2.852 50 0 HFAARM CS(=O)(=O)[N-]c1nc(CC(=O)NC(c2ccccc2)c2ccccc2)cs1 ZINC000024756978 558610580 /nfs/dbraw/zinc/61/05/80/558610580.db2.gz ORDUWOFHYGZGRI-UHFFFAOYSA-N -1 0 401.513 2.963 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1Cc2ccccc2S1 ZINC000024950218 558621956 /nfs/dbraw/zinc/62/19/56/558621956.db2.gz QKWADHCOESEBDV-KRWDZBQOSA-N -1 0 412.496 2.933 50 0 HFAARM COc1ccc(Cc2n[n-]c(NCCc3c[nH]c4cc(OC)ccc34)nc2=O)cc1 ZINC000027788778 558682345 /nfs/dbraw/zinc/68/23/45/558682345.db2.gz JNPVEDHYWKIHMI-UHFFFAOYSA-N -1 0 405.458 2.909 50 0 HFAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1N1CCC(C(N)=O)CC1 ZINC000072285720 558715723 /nfs/dbraw/zinc/71/57/23/558715723.db2.gz LSHXCSRDEXEPSB-UHFFFAOYSA-N -1 0 419.551 2.583 50 0 HFAARM COc1cc(C(=O)Oc2cccc([C@H]3N[C@H](C(=O)[O-])CS3)c2)cc(OC)c1OC ZINC000004554648 558722693 /nfs/dbraw/zinc/72/26/93/558722693.db2.gz QAZBUFQOZYPJNL-KSSFIOAISA-N -1 0 419.455 2.720 50 0 HFAARM C[C@@H](NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1n[nH]c(=O)[n-]1 ZINC000067672992 558991037 /nfs/dbraw/zinc/99/10/37/558991037.db2.gz BHTRWISXSOSQKD-MRVPVSSYSA-N -1 0 422.392 2.984 50 0 HFAARM CCC[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1 ZINC000077539123 559008652 /nfs/dbraw/zinc/00/86/52/559008652.db2.gz BOJPMVDAYMWTBV-LBPRGKRZSA-N -1 0 408.549 2.968 50 0 HFAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCOCC3)c([O-])n2n1 ZINC000023157035 559022017 /nfs/dbraw/zinc/02/20/17/559022017.db2.gz ZVMOTOQRFGHSEH-ZDUSSCGKSA-N -1 0 409.309 2.989 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)c1 ZINC000100036696 559128984 /nfs/dbraw/zinc/12/89/84/559128984.db2.gz QAFWRVAAORDHAS-WOJBJXKFSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)c1 ZINC000100036686 559128994 /nfs/dbraw/zinc/12/89/94/559128994.db2.gz CXLORWIJDCCPNE-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM O=C([O-])[C@@]1(CC(=O)Nc2cccc3nonc32)CC(c2ccccc2Cl)=NO1 ZINC000072405008 559190834 /nfs/dbraw/zinc/19/08/34/559190834.db2.gz ZIXVDOONNLDKBQ-SFHVURJKSA-N -1 0 400.778 2.853 50 0 HFAARM O=C(C[C@H]1Sc2cc(C(=O)[O-])ccc2NC1=O)Nc1ccc2c(c1)OCCO2 ZINC000061719622 559293375 /nfs/dbraw/zinc/29/33/75/559293375.db2.gz VBYGJTKYASIIHC-MRXNPFEDSA-N -1 0 400.412 2.598 50 0 HFAARM COc1ccccc1N1CC[NH+](C[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)[O-])CC1 ZINC000061722090 560538029 /nfs/dbraw/zinc/53/80/29/560538029.db2.gz GCYUDTLLNCZDHA-MRXNPFEDSA-N -1 0 415.465 2.686 50 0 HFAARM O=S(=O)([N-]c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(F)cc1F ZINC000005250708 560551311 /nfs/dbraw/zinc/55/13/11/560551311.db2.gz ZCMQILPOLLEHDI-UHFFFAOYSA-N -1 0 402.444 2.696 50 0 HFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005250692 560551319 /nfs/dbraw/zinc/55/13/19/560551319.db2.gz NPYBJTUGBJOYTF-UHFFFAOYSA-N -1 0 410.517 2.734 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000062580624 560631499 /nfs/dbraw/zinc/63/14/99/560631499.db2.gz HVWSLRMWIRUUBU-UHFFFAOYSA-N -1 0 407.923 2.670 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1C ZINC000101169452 560787752 /nfs/dbraw/zinc/78/77/52/560787752.db2.gz HLUHKOALOAWVNG-VQTJNVASSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)cc5)c(=O)c3=4)n2)cc1 ZINC000101272228 560790949 /nfs/dbraw/zinc/79/09/49/560790949.db2.gz FGMIQVXNQDTHLI-ZWKOTPCHSA-N -1 0 402.414 2.847 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1Cl ZINC000101388790 560793958 /nfs/dbraw/zinc/79/39/58/560793958.db2.gz KKIUKGZKRXDUTM-JKSUJKDBSA-N -1 0 419.775 2.550 50 0 HFAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101417929 560794784 /nfs/dbraw/zinc/79/47/84/560794784.db2.gz AKKIVPCMIVQWAP-ROUUACIJSA-N -1 0 414.849 2.893 50 0 HFAARM CCOc1ccc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(=O)CC)cc1 ZINC000101765753 560799458 /nfs/dbraw/zinc/79/94/58/560799458.db2.gz MMBSSICXWQLTCX-AWEZNQCLSA-N -1 0 402.476 2.635 50 0 HFAARM Cn1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c1[O-] ZINC000101767270 560799835 /nfs/dbraw/zinc/79/98/35/560799835.db2.gz LXBZWGDMSUPLQN-KRWDZBQOSA-N -1 0 423.450 2.866 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4Cl)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893871 560804529 /nfs/dbraw/zinc/80/45/29/560804529.db2.gz XACRMBVYEPVHIQ-HOTGVXAUSA-N -1 0 408.805 2.883 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4Cl)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893876 560804562 /nfs/dbraw/zinc/80/45/62/560804562.db2.gz XACRMBVYEPVHIQ-CVEARBPZSA-N -1 0 408.805 2.883 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1F ZINC000101262219 560851459 /nfs/dbraw/zinc/85/14/59/560851459.db2.gz SEBQMMNTCVYIJA-ROUUACIJSA-N -1 0 420.404 2.986 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1F ZINC000049422330 568450745 /nfs/dbraw/zinc/45/07/45/568450745.db2.gz IFRVEADKIJKMGM-DLBZAZTESA-N -1 0 406.377 2.678 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3ccccc3)cs2)cc1 ZINC000012324131 568471600 /nfs/dbraw/zinc/47/16/00/568471600.db2.gz RTFCJYKPIJUHDR-UHFFFAOYSA-N -1 0 417.512 2.811 50 0 HFAARM Cc1cccc(OC2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1 ZINC000223238913 568542214 /nfs/dbraw/zinc/54/22/14/568542214.db2.gz ANTFOSDIGJJTTD-QFIPXVFZSA-N -1 0 402.491 2.659 50 0 HFAARM COc1ccc(COCC(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000095424068 568607589 /nfs/dbraw/zinc/60/75/89/568607589.db2.gz WMHGJCQRAPJHPE-QGZVFWFLSA-N -1 0 403.431 2.561 50 0 HFAARM C[C@@H](c1ccccc1)n1c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000020757534 568641976 /nfs/dbraw/zinc/64/19/76/568641976.db2.gz NVQXNLLUIAOHIL-QKKBWIMNSA-N -1 0 416.481 2.910 50 0 biogenic HFAARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096114963 568694620 /nfs/dbraw/zinc/69/46/20/568694620.db2.gz RSUFESHQTASLES-CYBMUJFWSA-N -1 0 418.833 2.766 50 0 biogenic HFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000000846820 568710608 /nfs/dbraw/zinc/71/06/08/568710608.db2.gz PVIIYFUOMFGXMO-UHFFFAOYSA-N -1 0 414.277 2.966 50 0 HFAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1Cl ZINC000021531740 568711271 /nfs/dbraw/zinc/71/12/71/568711271.db2.gz HJWNVSKNZMARDV-UHFFFAOYSA-N -1 0 411.823 2.501 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C(=O)OC)ccc4OC)c=3c2=O)cc1 ZINC000096286264 568719142 /nfs/dbraw/zinc/71/91/42/568719142.db2.gz UXEYPMZMRIGTPL-OALUTQOASA-N -1 0 422.441 2.538 50 0 HFAARM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000242197038 568732363 /nfs/dbraw/zinc/73/23/63/568732363.db2.gz XHGTWSFVYCJASJ-JTNHKYCSSA-N -1 0 405.875 2.760 50 0 HFAARM CCS(=O)(=O)Nc1cnc(N2CCN(c3cccc(C)c3)[C@@H](C)C2)c(C(=O)[O-])c1 ZINC000021883366 568758039 /nfs/dbraw/zinc/75/80/39/568758039.db2.gz CUIILLNNERGCGZ-HNNXBMFYSA-N -1 0 418.519 2.565 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(C)n2)ccc1C ZINC000012521068 568841569 /nfs/dbraw/zinc/84/15/69/568841569.db2.gz IPTAENWLRXNGJE-UHFFFAOYSA-N -1 0 400.460 2.790 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ncn1 ZINC000004035969 568879601 /nfs/dbraw/zinc/87/96/01/568879601.db2.gz ICXWECNRSDTVRQ-UHFFFAOYSA-N -1 0 402.407 2.677 50 0 HFAARM CCN(CC)C(=O)COc1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc1Cl ZINC000031721110 568929806 /nfs/dbraw/zinc/92/98/06/568929806.db2.gz NWKISBMTJYXMGA-UHFFFAOYSA-N -1 0 414.915 2.728 50 0 HFAARM CCOC(=O)N1CCN([C@@H](c2cccs2)c2sc3nc(C)nn3c2[O-])CC1 ZINC000004121067 568944747 /nfs/dbraw/zinc/94/47/47/568944747.db2.gz WMIRPAJTRPZFDG-ZDUSSCGKSA-N -1 0 407.521 2.730 50 0 HFAARM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1OC ZINC000006085664 568997869 /nfs/dbraw/zinc/99/78/69/568997869.db2.gz WJAQKHRASOGVFR-UHFFFAOYSA-N -1 0 406.460 2.561 50 0 HFAARM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000015781457 569002595 /nfs/dbraw/zinc/00/25/95/569002595.db2.gz PVNSHUGXKORGHQ-UHFFFAOYSA-N -1 0 416.471 2.868 50 0 HFAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000006395738 569046617 /nfs/dbraw/zinc/04/66/17/569046617.db2.gz ZMWPXANMZDQJJE-ROUUACIJSA-N -1 0 406.504 2.713 50 0 HFAARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1CCCn1ccnc1 ZINC000006467702 569057925 /nfs/dbraw/zinc/05/79/25/569057925.db2.gz WNWZXQSQLRVQOK-UHFFFAOYSA-N -1 0 400.504 2.819 50 0 HFAARM C[C@H](NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000006467883 569057995 /nfs/dbraw/zinc/05/79/95/569057995.db2.gz JZGJQXHPIVCXDD-HDDXYUSQSA-N -1 0 409.486 2.816 50 0 HFAARM COc1ccc(-c2csc3c2[nH]c(N2CCC[C@H](C(=O)[O-])C2)nc3=O)cc1OC ZINC000064611770 569074428 /nfs/dbraw/zinc/07/44/28/569074428.db2.gz SJUVEQYWEBCKNL-LBPRGKRZSA-N -1 0 415.471 2.970 50 0 HFAARM CCc1[n-]n(C)c(=O)c1C1=C(N2CCCCC2)C(=O)N(c2cc(C)ccc2OC)C1=O ZINC000006773832 569118685 /nfs/dbraw/zinc/11/86/85/569118685.db2.gz WTHJVYVMNIUGIW-UHFFFAOYSA-N -1 0 424.501 2.776 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1OC ZINC000064919568 569120810 /nfs/dbraw/zinc/12/08/10/569120810.db2.gz ASZZIAUTDXHPIH-UHFFFAOYSA-N -1 0 410.517 2.731 50 0 HFAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036360874 569151954 /nfs/dbraw/zinc/15/19/54/569151954.db2.gz VIWQTIQRWYGCRG-OAQYLSRUSA-N -1 0 407.470 2.820 50 0 HFAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036365426 569152210 /nfs/dbraw/zinc/15/22/10/569152210.db2.gz XGFOZQIHXZTUJJ-NRFANRHFSA-N -1 0 407.470 2.820 50 0 HFAARM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(F)c3)c2)o1)N1CCCC1 ZINC000065098782 569176880 /nfs/dbraw/zinc/17/68/80/569176880.db2.gz IAVIGJQAJUGDLB-UHFFFAOYSA-N -1 0 422.463 2.974 50 0 HFAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc4c(c2)OCO4)c3[O-])c1 ZINC000065250041 569206060 /nfs/dbraw/zinc/20/60/60/569206060.db2.gz QRRXVDFNISPFAG-UHFFFAOYSA-N -1 0 404.382 2.709 50 0 HFAARM O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccnc(OCc2ccccc2)c1 ZINC000065614089 569238720 /nfs/dbraw/zinc/23/87/20/569238720.db2.gz RMXOBKQYMAETCB-UHFFFAOYSA-N -1 0 423.494 2.694 50 0 HFAARM O=C([O-])CC[C@@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000170620096 569248722 /nfs/dbraw/zinc/24/87/22/569248722.db2.gz DSTVMMVIIDVYFB-QFIPXVFZSA-N -1 0 402.410 2.630 50 0 HFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 ZINC000013696720 569257308 /nfs/dbraw/zinc/25/73/08/569257308.db2.gz SBIURPBDOMRJHN-LJQANCHMSA-N -1 0 416.499 2.873 50 0 HFAARM CCC[C@H](NC(=O)COc1ccc2c(c1)occ(-c1csc(C)n1)c2=O)C(=O)[O-] ZINC000002098104 569281007 /nfs/dbraw/zinc/28/10/07/569281007.db2.gz FELXDYZMOAIMQQ-HNNXBMFYSA-N -1 0 416.455 2.973 50 0 biogenic HFAARM Cc1c(O[C@@H](C)C(=O)NCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002100693 569281430 /nfs/dbraw/zinc/28/14/30/569281430.db2.gz VHLGYLBUHKUHLS-HNNXBMFYSA-N -1 0 409.438 2.969 50 0 biogenic HFAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000002103444 569281652 /nfs/dbraw/zinc/28/16/52/569281652.db2.gz HTNHYGWBWDMNGI-KRWDZBQOSA-N -1 0 415.829 2.815 50 0 biogenic HFAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSC)C(=O)[O-])ccc12 ZINC000002120546 569285352 /nfs/dbraw/zinc/28/53/52/569285352.db2.gz GQEBSUGFYRNWQN-HNNXBMFYSA-N -1 0 407.488 2.755 50 0 biogenic HFAARM CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CSC)C(=O)[O-])c12 ZINC000002120234 569285397 /nfs/dbraw/zinc/28/53/97/569285397.db2.gz FVABWHFFOCRHJJ-AWEZNQCLSA-N -1 0 407.488 2.755 50 0 biogenic HFAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](CCSC)C(=O)[O-])c(=O)oc2c1C ZINC000002152728 569290163 /nfs/dbraw/zinc/29/01/63/569290163.db2.gz SEMGRDPZYPQKSS-HNNXBMFYSA-N -1 0 407.488 2.674 50 0 biogenic HFAARM CCOc1c(I)cc(I)cc1C(=O)[O-] ZINC000252498754 569290927 /nfs/dbraw/zinc/29/09/27/569290927.db2.gz RKKNOCJPICDSLH-UHFFFAOYSA-N -1 0 417.968 2.993 50 0 HFAARM O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NC[C@H]1CCCOC1 ZINC000170649004 569292426 /nfs/dbraw/zinc/29/24/26/569292426.db2.gz LQZZHSPMXBCECF-MRXNPFEDSA-N -1 0 406.479 2.712 50 0 HFAARM CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2O1 ZINC000252695013 569320277 /nfs/dbraw/zinc/32/02/77/569320277.db2.gz TTZOCWWUKXKDJB-JOCQHMNTSA-N -1 0 405.447 2.522 50 0 biogenic HFAARM COc1ccc(OC)c([C@H]2[C@@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)c1 ZINC000002455970 569409767 /nfs/dbraw/zinc/40/97/67/569409767.db2.gz OHDJSIAXILMNOK-OALUTQOASA-N -1 0 401.415 2.716 50 0 HFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)NCc2cccs2)cc1 ZINC000038678502 571060967 /nfs/dbraw/zinc/06/09/67/571060967.db2.gz ZFDXPNPAZSIVRE-UHFFFAOYSA-N -1 0 404.517 2.748 50 0 HFAARM CC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3)C(=O)[O-] ZINC000008765115 571115382 /nfs/dbraw/zinc/11/53/82/571115382.db2.gz UCBHWOZFOOEZPU-CQSZACIVSA-N -1 0 417.458 2.736 50 0 biogenic HFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000008790840 571119774 /nfs/dbraw/zinc/11/97/74/571119774.db2.gz RKDKEAOOWFFDMO-LVCYWYKZSA-N -1 0 421.478 2.550 50 0 biogenic HFAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1O ZINC000009042893 571215225 /nfs/dbraw/zinc/21/52/25/571215225.db2.gz KJFISQMWXALINK-CHHVJCJISA-N -1 0 416.386 2.905 50 0 HFAARM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000009120753 571225558 /nfs/dbraw/zinc/22/55/58/571225558.db2.gz RHNPMJVBIHKEID-UHFFFAOYSA-N -1 0 414.814 2.807 50 0 HFAARM C[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1ccccc1Cl ZINC000069511152 571228657 /nfs/dbraw/zinc/22/86/57/571228657.db2.gz TUEOEHNPCUOHEJ-JTQLQIEISA-N -1 0 403.851 2.526 50 0 HFAARM COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000009228197 571239467 /nfs/dbraw/zinc/23/94/67/571239467.db2.gz XAUZTADUBHAOHJ-UHFFFAOYSA-N -1 0 423.450 2.687 50 0 HFAARM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000009274192 571244533 /nfs/dbraw/zinc/24/45/33/571244533.db2.gz OUYHDLPGBOYNGI-UHFFFAOYSA-N -1 0 417.443 2.879 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000009675365 571278837 /nfs/dbraw/zinc/27/88/37/571278837.db2.gz LNQLWRWPXZVHSI-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM CCCCCn1c(=O)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2[n-]c1=S ZINC000010274372 571299049 /nfs/dbraw/zinc/29/90/49/571299049.db2.gz VYHUOJXCGNEIJP-UHFFFAOYSA-N -1 0 402.520 2.587 50 0 HFAARM O=S(=O)([N-]c1cnc2c(n1)CCCC2)c1ccc(Cl)cc1Br ZINC000328593955 571308177 /nfs/dbraw/zinc/30/81/77/571308177.db2.gz DNYATFOPBYOGDJ-UHFFFAOYSA-N -1 0 402.701 3.572 50 0 HFAARM Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000004756849 132287664 /nfs/dbraw/zinc/28/76/64/132287664.db2.gz IJHMXIZWTBSKHE-UHFFFAOYSA-N -1 0 407.923 2.982 50 0 HFAARM Cc1cn(C)c(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C(=O)[O-] ZINC000008607702 132331471 /nfs/dbraw/zinc/33/14/71/132331471.db2.gz DNJZDQCYZGVARZ-UHFFFAOYSA-N -1 0 409.408 2.942 50 0 HFAARM COc1ccc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397324 132801461 /nfs/dbraw/zinc/80/14/61/132801461.db2.gz GXHYSMKANOFBOW-UHFFFAOYSA-N -1 0 405.476 2.826 50 0 HFAARM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000882251 520750932 /nfs/dbraw/zinc/75/09/32/520750932.db2.gz BRATWIAGEUUOTN-HZPDHXFCSA-N -1 0 418.490 2.926 50 0 HFAARM COc1cc(C)cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c12 ZINC000252695346 522254396 /nfs/dbraw/zinc/25/43/96/522254396.db2.gz YQLALHSFKFCTEI-SHTZXODSSA-N -1 0 401.459 2.968 50 0 biogenic HFAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCOCC2)cc1C ZINC000032971220 524325584 /nfs/dbraw/zinc/32/55/84/524325584.db2.gz XUDCOLIVHYXAIZ-UHFFFAOYSA-N -1 0 404.488 2.947 50 0 HFAARM O=C([O-])[C@]1(CC(=O)Nc2ccc3nsnc3c2)CC(c2ccc(F)cc2)=NO1 ZINC000072404093 526337770 /nfs/dbraw/zinc/33/77/70/526337770.db2.gz VGCZFNUYTWRHTF-GOSISDBHSA-N -1 0 400.391 2.807 50 0 HFAARM O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1NC1CCCCC1 ZINC000000652264 557039211 /nfs/dbraw/zinc/03/92/11/557039211.db2.gz DUBFMJAOHJIICT-UHFFFAOYSA-N -1 0 402.900 2.804 50 0 HFAARM COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000000814813 557089254 /nfs/dbraw/zinc/08/92/54/557089254.db2.gz DIVWKGSOCQDOPU-SFHVURJKSA-N -1 0 405.414 2.913 50 0 HFAARM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000000898210 557113735 /nfs/dbraw/zinc/11/37/35/557113735.db2.gz GXZLZVJOOMGWOU-UHFFFAOYSA-N -1 0 412.471 2.776 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000001030279 557146885 /nfs/dbraw/zinc/14/68/85/557146885.db2.gz QARBOESVSWTWCH-UHFFFAOYSA-N -1 0 411.524 2.630 50 0 HFAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000001062066 557164361 /nfs/dbraw/zinc/16/43/61/557164361.db2.gz VSSHEOTTWOTMEI-UHFFFAOYSA-N -1 0 413.835 2.723 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(I)c2)cc1 ZINC000001115099 557186543 /nfs/dbraw/zinc/18/65/43/557186543.db2.gz QSWOUHHBEBJLIT-UHFFFAOYSA-N -1 0 401.225 2.718 50 0 HFAARM COC(=O)c1cccc(CN2C(=O)S[C@H](Nc3ccccc3C(=O)[O-])C2=O)c1 ZINC000002324115 557337455 /nfs/dbraw/zinc/33/74/55/557337455.db2.gz GDRZUXDTOAEAER-HNNXBMFYSA-N -1 0 400.412 2.805 50 0 HFAARM NC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560801 557356645 /nfs/dbraw/zinc/35/66/45/557356645.db2.gz VJZUCXPETVPQIB-IBGZPJMESA-N -1 0 411.458 2.817 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000002787188 557388246 /nfs/dbraw/zinc/38/82/46/557388246.db2.gz NOLIHSGPUZRYLM-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM COC(=O)c1c(C)c(C)sc1N1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000002832677 557398237 /nfs/dbraw/zinc/39/82/37/557398237.db2.gz GIDXZXAABGJBOC-NSHDSACASA-N -1 0 420.468 2.669 50 0 HFAARM O=C(CCc1nnc(-c2cccc(OCC3CC3)c2)[n-]c1=O)N1CCSCC1 ZINC000034765519 557462232 /nfs/dbraw/zinc/46/22/32/557462232.db2.gz MDPJRMZODGOYBZ-UHFFFAOYSA-N -1 0 400.504 2.541 50 0 HFAARM CSCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000004037871 557507084 /nfs/dbraw/zinc/50/70/84/557507084.db2.gz LTKATAYITAICPH-SJCJKPOMSA-N -1 0 419.499 2.762 50 0 biogenic HFAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000005652309 557666679 /nfs/dbraw/zinc/66/66/79/557666679.db2.gz GXSFWDLQPZJBKT-UHFFFAOYSA-N -1 0 404.535 2.588 50 0 HFAARM CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000006731116 557718046 /nfs/dbraw/zinc/71/80/46/557718046.db2.gz ZMKUGLOVVUPMOZ-CVEARBPZSA-N -1 0 410.536 2.534 50 0 HFAARM COc1cccc(Cn2cc([N-]S(=O)(=O)c3c(C)nn(C(F)F)c3C)cn2)c1 ZINC000002805214 557763790 /nfs/dbraw/zinc/76/37/90/557763790.db2.gz XCSDPXFWTMQFEO-UHFFFAOYSA-N -1 0 411.434 2.949 50 0 HFAARM CN(CC(=O)[O-])c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)cc2)n1 ZINC000008702049 557800620 /nfs/dbraw/zinc/80/06/20/557800620.db2.gz NNPFLEXNKXPMMQ-UHFFFAOYSA-N -1 0 421.848 2.961 50 0 HFAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855103 557842303 /nfs/dbraw/zinc/84/23/03/557842303.db2.gz FDTHUYWHQFVMAI-INIZCTEOSA-N -1 0 419.938 2.966 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)c1 ZINC000009748147 557849440 /nfs/dbraw/zinc/84/94/40/557849440.db2.gz CXLORWIJDCCPNE-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM CCCCN(C(=O)CCC(=O)[O-])[C@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000004327175 558259673 /nfs/dbraw/zinc/25/96/73/558259673.db2.gz VTGQUKBFPBTRLH-KRWDZBQOSA-N -1 0 404.463 2.601 50 0 HFAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000012407315 558398513 /nfs/dbraw/zinc/39/85/13/558398513.db2.gz IIUJHCDFOBEXBA-UHFFFAOYSA-N -1 0 407.835 2.618 50 0 HFAARM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000020722169 558403469 /nfs/dbraw/zinc/40/34/69/558403469.db2.gz PTOLDJBWOTVATC-HXUWFJFHSA-N -1 0 413.499 2.609 50 0 HFAARM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1 ZINC000012852048 558479451 /nfs/dbraw/zinc/47/94/51/558479451.db2.gz TZUJHBWLGFOISC-UHFFFAOYSA-N -1 0 416.499 2.757 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2nc[nH]n2)ccc1Cl ZINC000023141925 558537676 /nfs/dbraw/zinc/53/76/76/558537676.db2.gz FOLBKGARZAMEDR-UHFFFAOYSA-N -1 0 407.839 2.520 50 0 HFAARM COc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000023382830 558555981 /nfs/dbraw/zinc/55/59/81/558555981.db2.gz QCPLSPOAWWZMJX-ZSOIEALJSA-N -1 0 402.790 2.909 50 0 HFAARM O=C(c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)N1CCC(O)CC1 ZINC000013692984 558574362 /nfs/dbraw/zinc/57/43/62/558574362.db2.gz UYPWAAQBCOORGW-UHFFFAOYSA-N -1 0 417.512 2.694 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)c(OC)c1 ZINC000013696969 558574851 /nfs/dbraw/zinc/57/48/51/558574851.db2.gz GSLYGCYOPAPVAE-UHFFFAOYSA-N -1 0 402.472 2.804 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1C ZINC000004484104 558603455 /nfs/dbraw/zinc/60/34/55/558603455.db2.gz HLUHKOALOAWVNG-UXHICEINSA-N -1 0 405.458 2.852 50 0 HFAARM O=C([O-])c1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 ZINC000004505680 558616450 /nfs/dbraw/zinc/61/64/50/558616450.db2.gz ZOMBCWJJCLUTRL-UHFFFAOYSA-N -1 0 401.440 2.574 50 0 HFAARM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000015013677 558701232 /nfs/dbraw/zinc/70/12/32/558701232.db2.gz LQQYUWYEOUBXOY-RGZVIEDOSA-N -1 0 414.389 2.779 50 0 HFAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000004563118 558732840 /nfs/dbraw/zinc/73/28/40/558732840.db2.gz ILYSOTSLRSTECP-MOPGFXCFSA-N -1 0 401.415 2.716 50 0 HFAARM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274725 558764407 /nfs/dbraw/zinc/76/44/07/558764407.db2.gz YLUARMCVLWMPHH-UHFFFAOYSA-N -1 0 406.479 2.811 50 0 HFAARM O=C(CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000032975537 558803171 /nfs/dbraw/zinc/80/31/71/558803171.db2.gz WPBPRYIXCPZPAL-UHFFFAOYSA-N -1 0 416.484 2.941 50 0 HFAARM O=C([O-])COCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017082403 558814476 /nfs/dbraw/zinc/81/44/76/558814476.db2.gz ZMKKPMNSTMOSNN-UHFFFAOYSA-N -1 0 402.472 2.597 50 0 HFAARM Cc1ccc(CNC(=O)c2c(NC(=O)COCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017090666 558819321 /nfs/dbraw/zinc/81/93/21/558819321.db2.gz LPNUSHBCQSTWGL-UHFFFAOYSA-N -1 0 416.499 2.905 50 0 HFAARM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000060331649 558847767 /nfs/dbraw/zinc/84/77/67/558847767.db2.gz YZOCLIFWQPOIBK-UHFFFAOYSA-N -1 0 417.491 2.686 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(O)CC2)ccc1C ZINC000033028129 558851703 /nfs/dbraw/zinc/85/17/03/558851703.db2.gz VKNIRYXDYOUYSB-UHFFFAOYSA-N -1 0 418.515 2.838 50 0 HFAARM CSCC[C@@H](NC(=O)CCCCCNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000013728064 558860985 /nfs/dbraw/zinc/86/09/85/558860985.db2.gz VDSSOFVZVODLOR-MRXNPFEDSA-N -1 0 405.520 2.781 50 0 HFAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000033078523 558867967 /nfs/dbraw/zinc/86/79/67/558867967.db2.gz OXCHNFNYEYQBES-UHFFFAOYSA-N -1 0 403.460 2.977 50 0 HFAARM CCC(=O)Nc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)c(C(=O)[O-])c1 ZINC000033078786 558868110 /nfs/dbraw/zinc/86/81/10/558868110.db2.gz RNCCYALSLZOKRX-UHFFFAOYSA-N -1 0 424.501 2.802 50 0 HFAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(N3CCOCC3)cc2)c1 ZINC000071760675 558910067 /nfs/dbraw/zinc/91/00/67/558910067.db2.gz WLVZCSJXFQFNGK-UHFFFAOYSA-N -1 0 404.488 2.575 50 0 HFAARM CS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000072163929 558930160 /nfs/dbraw/zinc/93/01/60/558930160.db2.gz OFMOIIUNWKVCPH-UHFFFAOYSA-N -1 0 401.484 2.883 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)cc1F ZINC000097940967 558945986 /nfs/dbraw/zinc/94/59/86/558945986.db2.gz UDMKNKCTVYHQGO-UHFFFAOYSA-N -1 0 422.438 2.628 50 0 HFAARM O=C([O-])c1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]c(=O)[nH]c2=O)cc1 ZINC000067759074 558992502 /nfs/dbraw/zinc/99/25/02/558992502.db2.gz XAZNNEBHZPNPRV-UHFFFAOYSA-N -1 0 402.410 2.535 50 0 HFAARM CCCCOC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1 ZINC000077287162 559000431 /nfs/dbraw/zinc/00/04/31/559000431.db2.gz UQDMCFPPBIWCBZ-UHFFFAOYSA-N -1 0 410.521 2.942 50 0 HFAARM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1I ZINC000089696826 559066367 /nfs/dbraw/zinc/06/63/67/559066367.db2.gz ZQOIINYXFNLHBA-UHFFFAOYSA-N -1 0 419.215 2.857 50 0 HFAARM O=C([O-])c1ccc(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)cc1 ZINC000060838027 559077220 /nfs/dbraw/zinc/07/72/20/559077220.db2.gz VVEHXEPMIGESBC-UHFFFAOYSA-N -1 0 414.233 2.719 50 0 HFAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc[nH]1 ZINC000004818068 559115381 /nfs/dbraw/zinc/11/53/81/559115381.db2.gz VKRSDRRSEGOYCR-UHFFFAOYSA-N -1 0 402.403 2.994 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl ZINC000100033359 559128902 /nfs/dbraw/zinc/12/89/02/559128902.db2.gz DOPBZKJQKIPJKX-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)nc1 ZINC000005126634 559248249 /nfs/dbraw/zinc/24/82/49/559248249.db2.gz ZHTLEVOJAKFBMO-UHFFFAOYSA-N -1 0 415.924 2.710 50 0 HFAARM O=S(=O)([N-]c1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000011795856 559259815 /nfs/dbraw/zinc/25/98/15/559259815.db2.gz HHDOCZNSBUTVGE-MRXNPFEDSA-N -1 0 417.512 2.711 50 0 HFAARM CCn1c(=O)c2ccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)cc2[n-]c1=S ZINC000100747644 559262031 /nfs/dbraw/zinc/26/20/31/559262031.db2.gz YNGLRHWKWUZNEF-UHFFFAOYSA-N -1 0 405.520 2.899 50 0 HFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000011866825 559264341 /nfs/dbraw/zinc/26/43/41/559264341.db2.gz PVLOUJCJHGPYTH-NQCMUKECSA-N -1 0 401.459 2.973 50 0 HFAARM Cc1c(OCC(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000011866822 559264356 /nfs/dbraw/zinc/26/43/56/559264356.db2.gz GLDKPMYOZTVUJL-FQEVSTJZSA-N -1 0 407.422 2.911 50 0 HFAARM NC(=O)COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc1 ZINC000061719182 559293470 /nfs/dbraw/zinc/29/34/70/559293470.db2.gz CGEVLNQXSJECSC-CQSZACIVSA-N -1 0 423.400 2.653 50 0 HFAARM COc1ccc(C(=O)[O-])cc1N1C(=O)C[C@@H](c2c(C)nn(-c3ccccc3)c2N)C1=O ZINC000061721407 560537586 /nfs/dbraw/zinc/53/75/86/560537586.db2.gz GEICKLFFUQTSJA-HNNXBMFYSA-N -1 0 420.425 2.517 50 0 HFAARM COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1cccs1 ZINC000005652243 560636615 /nfs/dbraw/zinc/63/66/15/560636615.db2.gz CJXYPWANXNBICQ-UHFFFAOYSA-N -1 0 416.546 2.732 50 0 HFAARM COC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C([O-])=N2)cc1 ZINC000018149178 560779980 /nfs/dbraw/zinc/77/99/80/560779980.db2.gz CXDOMHWSOTWQNX-UHFFFAOYSA-N -1 0 411.439 2.660 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccccc1 ZINC000018162323 560780671 /nfs/dbraw/zinc/78/06/71/560780671.db2.gz ZPXKNIORQOXHPT-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Br)c4)c=3c2=O)cc1 ZINC000101167039 560787440 /nfs/dbraw/zinc/78/74/40/560787440.db2.gz OVNFWPLVKHBXGZ-CVEARBPZSA-N -1 0 415.247 2.951 50 0 HFAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)c1 ZINC000101168615 560787524 /nfs/dbraw/zinc/78/75/24/560787524.db2.gz MWCYDCOQOYKKNJ-DLBZAZTESA-N -1 0 400.822 2.851 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C ZINC000101169050 560787666 /nfs/dbraw/zinc/78/76/66/560787666.db2.gz NESPHUKJXPHBLE-ZWKOTPCHSA-N -1 0 413.384 2.514 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000101169046 560787677 /nfs/dbraw/zinc/78/76/77/560787677.db2.gz MPQIOQFGKWPURS-ZWKOTPCHSA-N -1 0 413.384 2.514 50 0 HFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2 ZINC000101169589 560787723 /nfs/dbraw/zinc/78/77/23/560787723.db2.gz WUJPHULMHWZYPV-DLBZAZTESA-N -1 0 415.812 2.719 50 0 HFAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000101170734 560787917 /nfs/dbraw/zinc/78/79/17/560787917.db2.gz ZAEFKBAALWCNRM-RBUKOAKNSA-N -1 0 422.441 2.592 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000101416618 560794678 /nfs/dbraw/zinc/79/46/78/560794678.db2.gz XDCRQLUPFUEASZ-ZWKOTPCHSA-N -1 0 411.849 2.834 50 0 HFAARM CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(C(C)C)cc3)C2)c(=O)[nH]c1=O ZINC000101456170 560795413 /nfs/dbraw/zinc/79/54/13/560795413.db2.gz XBRZOOPTIJXJIP-SFHVURJKSA-N -1 0 412.490 2.863 50 0 HFAARM O=C(Nc1ccccc1O)C1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000101490825 560795932 /nfs/dbraw/zinc/79/59/32/560795932.db2.gz OQWNMCJOEOWSOU-GOSISDBHSA-N -1 0 411.433 2.514 50 0 HFAARM CCOc1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(=O)CC)cc1 ZINC000101495703 560796506 /nfs/dbraw/zinc/79/65/06/560796506.db2.gz PGVKLPHMRCVTIS-OAHLLOKOSA-N -1 0 416.503 2.645 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=NN[C@H](c4ccc(Cl)cc4)C3)c2=O)c1 ZINC000101763007 560800917 /nfs/dbraw/zinc/80/09/17/560800917.db2.gz WDYJDQFIYBYICD-INIZCTEOSA-N -1 0 410.861 2.940 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1 ZINC000101892727 560804475 /nfs/dbraw/zinc/80/44/75/560804475.db2.gz IIIZRBXPMMQJSA-QZTJIDSGSA-N -1 0 418.413 2.547 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)cc1 ZINC000101893685 560804533 /nfs/dbraw/zinc/80/45/33/560804533.db2.gz CZBNTXIHBMKAQF-IAGOWNOFSA-N -1 0 406.377 2.678 50 0 HFAARM Cn1c(=O)c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2[n-]c1=S ZINC000102836361 560829836 /nfs/dbraw/zinc/82/98/36/560829836.db2.gz PIRAOIIXXQJZKS-UHFFFAOYSA-N -1 0 400.529 2.616 50 0 HFAARM CCOc1ccccc1Nc1nnc(SCc2cc(=O)n3nc[n-]c3n2)s1 ZINC000103100413 560838302 /nfs/dbraw/zinc/83/83/02/560838302.db2.gz NMADLPYMTQMWCW-UHFFFAOYSA-N -1 0 401.477 2.704 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(SC)c4)c=3c2=O)cc1 ZINC000101166143 560851187 /nfs/dbraw/zinc/85/11/87/560851187.db2.gz SBFHXYGHTYLAIP-OALUTQOASA-N -1 0 423.498 2.903 50 0 HFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000101166285 560851219 /nfs/dbraw/zinc/85/12/19/560851219.db2.gz WBKXRSYEGILONU-PMACEKPBSA-N -1 0 421.457 2.634 50 0 HFAARM CN1C(=O)N[C@H](c2ccc(O)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139958 560890094 /nfs/dbraw/zinc/89/00/94/560890094.db2.gz QFDNUFFOHGSKGW-XJKCOSOUSA-N -1 0 400.378 2.900 50 0 HFAARM Cc1cccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1C ZINC000085808604 568442202 /nfs/dbraw/zinc/44/22/02/568442202.db2.gz HSKGYRHZJIFRPH-UHFFFAOYSA-N -1 0 415.475 2.718 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)cc1C ZINC000049002670 568446142 /nfs/dbraw/zinc/44/61/42/568446142.db2.gz HSYFEQYNWIGBMI-MSOLQXFVSA-N -1 0 420.404 2.986 50 0 HFAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCc1ccccc1F ZINC000049003409 568446468 /nfs/dbraw/zinc/44/64/68/568446468.db2.gz QKIDMROAHXRSAV-UHFFFAOYSA-N -1 0 402.451 2.896 50 0 HFAARM O=C(Nc1ccc2c(c1)OCCO2)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000049411804 568450140 /nfs/dbraw/zinc/45/01/40/568450140.db2.gz UOEZAYUGKPCNGQ-UHFFFAOYSA-N -1 0 418.409 2.502 50 0 HFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(Cc4ccccc4)c3[nH]c2=O)cc1F ZINC000049411816 568450144 /nfs/dbraw/zinc/45/01/44/568450144.db2.gz BTUBGAXCROHQMB-UHFFFAOYSA-N -1 0 408.389 2.879 50 0 HFAARM Cc1cccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)c1 ZINC000113559923 568452691 /nfs/dbraw/zinc/45/26/91/568452691.db2.gz UTFGTVMJFNFJSI-KBOKABMXSA-N -1 0 410.451 2.999 50 0 HFAARM NC(=O)NCCC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)C(=O)[O-] ZINC000080337495 568602097 /nfs/dbraw/zinc/60/20/97/568602097.db2.gz WUZZLJPFDHRLJL-SFHVURJKSA-N -1 0 424.432 2.672 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C)CCOC2)ccc1C ZINC000095440536 568610606 /nfs/dbraw/zinc/61/06/06/568610606.db2.gz SLLFVKSMLHHGDM-HXUWFJFHSA-N -1 0 404.488 2.713 50 0 HFAARM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)n2)c1 ZINC000225462219 568640172 /nfs/dbraw/zinc/64/01/72/568640172.db2.gz CYRNXMHVALEZKW-AWEZNQCLSA-N -1 0 410.396 2.594 50 0 HFAARM NC(=O)C1CCN(c2ccccc2[N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000095944522 568663102 /nfs/dbraw/zinc/66/31/02/568663102.db2.gz SHHMDTZDIBKVIW-UHFFFAOYSA-N -1 0 411.886 2.982 50 0 HFAARM O=C([O-])c1cnn(-c2cccc(NC(=O)COC[C@H]3CCCO3)c2)c1C(F)(F)F ZINC000095970451 568671248 /nfs/dbraw/zinc/67/12/48/568671248.db2.gz PYDOXYHOHPHUOY-CYBMUJFWSA-N -1 0 413.352 2.723 50 0 HFAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCSCC2)cc1 ZINC000096118455 568698127 /nfs/dbraw/zinc/69/81/27/568698127.db2.gz XDYZIDWHSGJJEQ-OAHLLOKOSA-N -1 0 405.501 2.717 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1C ZINC000096319865 568728236 /nfs/dbraw/zinc/72/82/36/568728236.db2.gz UWJRNKAAFDPWGJ-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cccc(F)c2)cc1 ZINC000096361028 568738835 /nfs/dbraw/zinc/73/88/35/568738835.db2.gz ACVSEJKCBHGAOD-UHFFFAOYSA-N -1 0 404.423 2.919 50 0 HFAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000096361079 568738981 /nfs/dbraw/zinc/73/89/81/568738981.db2.gz OEBBZEFLDFOTRN-UHFFFAOYSA-N -1 0 414.443 2.542 50 0 HFAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)c(C)o2)n[nH]1 ZINC000096386742 568743405 /nfs/dbraw/zinc/74/34/05/568743405.db2.gz WWVUARAEZZCMCQ-UHFFFAOYSA-N -1 0 402.476 2.924 50 0 HFAARM O=C(COc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002651653 568796445 /nfs/dbraw/zinc/79/64/45/568796445.db2.gz BYISUCDCCMGGSS-UHFFFAOYSA-N -1 0 424.482 2.784 50 0 HFAARM COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000002948702 568820288 /nfs/dbraw/zinc/82/02/88/568820288.db2.gz ZJBIJSUYQLDEFH-TXQCQQFXSA-N -1 0 400.431 2.675 50 0 HFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1 ZINC000002949592 568820673 /nfs/dbraw/zinc/82/06/73/568820673.db2.gz YCIJGUHRLATMSH-BSKAQADGSA-N -1 0 404.422 2.863 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000031665352 568837642 /nfs/dbraw/zinc/83/76/42/568837642.db2.gz XNQVDCURGRTOCB-UHFFFAOYSA-N -1 0 413.249 2.589 50 0 HFAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000012507877 568839915 /nfs/dbraw/zinc/83/99/15/568839915.db2.gz TXFVZIPJVMBCSS-UHFFFAOYSA-N -1 0 423.450 2.852 50 0 HFAARM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000012521136 568841497 /nfs/dbraw/zinc/84/14/97/568841497.db2.gz PWVPRTJNLDPMSP-UHFFFAOYSA-N -1 0 411.324 2.683 50 0 HFAARM CCCSc1ncc(Br)c(C(=O)N[C@@H](CCSC)C(=O)[O-])n1 ZINC000046086432 568928578 /nfs/dbraw/zinc/92/85/78/568928578.db2.gz LPIWAQZUWFQDKJ-VIFPVBQESA-N -1 0 408.343 2.677 50 0 HFAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H](C)C(=O)NC2CC2)c1 ZINC000004818198 568940484 /nfs/dbraw/zinc/94/04/84/568940484.db2.gz RNUCFEGTXGDSGU-HNNXBMFYSA-N -1 0 416.499 2.928 50 0 HFAARM CC(C)c1noc([C@H](C)NC(=O)c2cn(CCc3ccccc3)cc(C(=O)[O-])c2=O)n1 ZINC000670457215 568941050 /nfs/dbraw/zinc/94/10/50/568941050.db2.gz NHPZIBWRETZAJC-AWEZNQCLSA-N -1 0 424.457 2.787 50 0 HFAARM Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c12)OC(C)(C)CC3 ZINC000004090311 568942057 /nfs/dbraw/zinc/94/20/57/568942057.db2.gz BYYQJHJYRCCNOF-IBGZPJMESA-N -1 0 417.458 2.809 50 0 biogenic HFAARM CSc1nn2c(nc(C)c(CCC(=O)[O-])c2C)c1S(=O)(=O)c1ccccc1 ZINC000085392331 568984681 /nfs/dbraw/zinc/98/46/81/568984681.db2.gz OUKZCFYGFBFXEF-UHFFFAOYSA-N -1 0 405.501 2.918 50 0 HFAARM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000008314855 568989815 /nfs/dbraw/zinc/98/98/15/568989815.db2.gz USKVFNSGOBLTBT-RTWAWAEBSA-N -1 0 407.470 2.856 50 0 HFAARM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc21 ZINC000015781498 569002731 /nfs/dbraw/zinc/00/27/31/569002731.db2.gz JHGLONDFSSAQIS-UHFFFAOYSA-N -1 0 424.544 2.907 50 0 HFAARM CC(C)C[C@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-] ZINC000006135097 569014200 /nfs/dbraw/zinc/01/42/00/569014200.db2.gz AKKVZFLVDFONCT-RLGUWMIQSA-N -1 0 424.453 2.802 50 0 biogenic HFAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H]2CCOC2=O)c(C)c1 ZINC000006404218 569046464 /nfs/dbraw/zinc/04/64/64/569046464.db2.gz UCGXNFDRIWSYLM-QGZVFWFLSA-N -1 0 403.456 2.885 50 0 HFAARM COc1ccc(-c2csc3c2[nH]c(N2CCC[C@@H](C(=O)[O-])C2)nc3=O)cc1OC ZINC000064611771 569074437 /nfs/dbraw/zinc/07/44/37/569074437.db2.gz SJUVEQYWEBCKNL-GFCCVEGCSA-N -1 0 415.471 2.970 50 0 HFAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036358564 569150066 /nfs/dbraw/zinc/15/00/66/569150066.db2.gz PJHVQYJKYNWZGP-KRWDZBQOSA-N -1 0 417.462 2.555 50 0 HFAARM COc1ccc(NC(=O)c2cnc(C)cn2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006920344 569181696 /nfs/dbraw/zinc/18/16/96/569181696.db2.gz XKADLIHHWRMBFC-UHFFFAOYSA-N -1 0 416.434 2.986 50 0 HFAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2cccc(OC(F)F)c2)cc2c(=O)[nH]nc1-2 ZINC000524733040 569212803 /nfs/dbraw/zinc/21/28/03/569212803.db2.gz NXMQDKCMHZZNQH-CYBMUJFWSA-N -1 0 407.329 2.541 50 0 HFAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(C)C)c1 ZINC000007361088 569235119 /nfs/dbraw/zinc/23/51/19/569235119.db2.gz FTMVKOCHTKXQGC-UHFFFAOYSA-N -1 0 406.504 2.996 50 0 HFAARM Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(O)cc1 ZINC000170610508 569245330 /nfs/dbraw/zinc/24/53/30/569245330.db2.gz CXPPRLSDVOQALN-UHFFFAOYSA-N -1 0 400.250 2.986 50 0 HFAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)N1CCOCC1 ZINC000013848938 569258124 /nfs/dbraw/zinc/25/81/24/569258124.db2.gz HQFXDVIHFMYBPB-UHFFFAOYSA-N -1 0 400.909 2.604 50 0 HFAARM O=C([O-])[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCS(=O)(=O)C1 ZINC000226772378 569279405 /nfs/dbraw/zinc/27/94/05/569279405.db2.gz TWSJTLVOHLYNDM-NRFANRHFSA-N -1 0 415.467 2.557 50 0 HFAARM Cc1c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002152732 569290111 /nfs/dbraw/zinc/29/01/11/569290111.db2.gz SQBUCWHGLFKHSR-ACJLOTCBSA-N -1 0 401.459 2.973 50 0 biogenic HFAARM [O-]c1c([C@H](c2ccc(Br)s2)N2CCOCC2)sc2ncnn12 ZINC000252485551 569387547 /nfs/dbraw/zinc/38/75/47/569387547.db2.gz GYPUPAVUNLXRJZ-JTQLQIEISA-N -1 0 401.311 2.742 50 0 HFAARM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000009044857 571215433 /nfs/dbraw/zinc/21/54/33/571215433.db2.gz KQTDEDRUDKBJDF-VIZOYTHASA-N -1 0 416.386 2.905 50 0 HFAARM CN1OC[C@H](S(=O)(=O)NC[C@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000245330002 571225533 /nfs/dbraw/zinc/22/55/33/571225533.db2.gz WMVPPUYIGHGOGE-HKBOAZHASA-N -1 0 418.515 2.864 50 0 HFAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1O ZINC000009348726 571250454 /nfs/dbraw/zinc/25/04/54/571250454.db2.gz NBXPEKHJMLHUHG-CHHVJCJISA-N -1 0 416.386 2.905 50 0 HFAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(F)c3)C2=O)cc1O ZINC000009348813 571250508 /nfs/dbraw/zinc/25/05/08/571250508.db2.gz FIWIMVRSIYNWIE-CHHVJCJISA-N -1 0 416.386 2.905 50 0 HFAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCN(c2ccccn2)CC1 ZINC000009418424 571256434 /nfs/dbraw/zinc/25/64/34/571256434.db2.gz CMYNOCHYJSISIE-UHFFFAOYSA-N -1 0 413.861 2.747 50 0 HFAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000010265667 571298706 /nfs/dbraw/zinc/29/87/06/571298706.db2.gz MENDBNJJTIJPFE-VIFPVBQESA-N -1 0 416.377 2.659 50 0 HFAARM O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[N-]OCc1ccccc1 ZINC000010318729 571300147 /nfs/dbraw/zinc/30/01/47/571300147.db2.gz GYQFDZJVDRBIBO-UHFFFAOYSA-N -1 0 401.513 2.955 50 0 HFAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCCC1 ZINC000071802770 571301547 /nfs/dbraw/zinc/30/15/47/571301547.db2.gz DKWRSIAKMMQNLV-GFCCVEGCSA-N -1 0 409.280 2.706 50 0 HFAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CCCc3ccccc32)c1OC ZINC000001473376 132246724 /nfs/dbraw/zinc/24/67/24/132246724.db2.gz ARYIBNXAHUGVGT-MDZDMXLPSA-N -1 0 403.456 2.943 50 0 HFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005136042 132302328 /nfs/dbraw/zinc/30/23/28/132302328.db2.gz LRAJHMKOTFHTEX-UHFFFAOYSA-N -1 0 410.517 2.816 50 0 HFAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3F)cc2)C1 ZINC000032083075 526316697 /nfs/dbraw/zinc/31/66/97/526316697.db2.gz OUEXACLSNCISAG-JTQLQIEISA-N -1 0 412.826 2.717 50 0 HFAARM O=C([O-])CSc1nc(N2CCOCC2)cc(C(F)(F)F)c1Br ZINC000043224367 527623374 /nfs/dbraw/zinc/62/33/74/527623374.db2.gz OVLQLHGGDCTNHA-UHFFFAOYSA-N -1 0 401.204 2.876 50 0 HFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)cc3Cl)cc2)C1 ZINC000032081618 527658138 /nfs/dbraw/zinc/65/81/38/527658138.db2.gz HJZBSRFBTKEZCY-SNVBAGLBSA-N -1 0 412.826 2.717 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1 ZINC000000670860 557049075 /nfs/dbraw/zinc/04/90/75/557049075.db2.gz NHKUNSBRECVWET-UHFFFAOYSA-N -1 0 418.500 2.695 50 0 HFAARM COC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)CC1 ZINC000022626308 557084327 /nfs/dbraw/zinc/08/43/27/557084327.db2.gz HBCFRTNMZMHOKG-OAHLLOKOSA-N -1 0 404.467 2.918 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)[C@@H]1COc2ccccc2O1 ZINC000000958048 557126708 /nfs/dbraw/zinc/12/67/08/557126708.db2.gz ONFHUSCVCWLZEJ-SFHVURJKSA-N -1 0 411.439 2.661 50 0 HFAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000000959241 557127022 /nfs/dbraw/zinc/12/70/22/557127022.db2.gz DUAWBLKLZKFSHT-UHFFFAOYSA-N -1 0 402.407 2.677 50 0 HFAARM COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000001029441 557146202 /nfs/dbraw/zinc/14/62/02/557146202.db2.gz LSLAAISERZQUFJ-UHFFFAOYSA-N -1 0 421.335 2.855 50 0 HFAARM O=C([O-])c1nccnc1C(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001030117 557146567 /nfs/dbraw/zinc/14/65/67/557146567.db2.gz MLGIWAABQSWCCF-UHFFFAOYSA-N -1 0 417.878 2.790 50 0 HFAARM CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000002735889 557374272 /nfs/dbraw/zinc/37/42/72/557374272.db2.gz VWMBWCXLFRQHFT-MBNTZHJCSA-N -1 0 410.451 2.708 50 0 HFAARM COc1ccc(NC(=O)CCc2nnc(-c3ccc(OC)c(OC)c3)[n-]c2=O)cc1 ZINC000034766046 557462218 /nfs/dbraw/zinc/46/22/18/557462218.db2.gz LVTROMPNRBZRNK-UHFFFAOYSA-N -1 0 410.430 2.841 50 0 HFAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCCCOC)c(=O)[n-]2)cc1OC ZINC000034766798 557462372 /nfs/dbraw/zinc/46/23/72/557462372.db2.gz HNGOYAOCWMFWQT-UHFFFAOYSA-N -1 0 418.494 2.517 50 0 HFAARM COc1cc(OC)cc(-c2nnc(CCC(=O)NCc3cccc(C)c3)c(=O)[n-]2)c1 ZINC000034768220 557463028 /nfs/dbraw/zinc/46/30/28/557463028.db2.gz FCQUMBHMWWLQAX-UHFFFAOYSA-N -1 0 408.458 2.819 50 0 HFAARM C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(O)c2C(=O)O1 ZINC000003861782 557501434 /nfs/dbraw/zinc/50/14/34/557501434.db2.gz RWQKHEORZBHNRI-BMIGLBTASA-N -1 0 403.818 2.573 50 0 endogenous,in-man HFAARM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000003885625 557502594 /nfs/dbraw/zinc/50/25/94/557502594.db2.gz PMHCGESRDLKAEK-UHFFFAOYSA-N -1 0 404.229 2.683 50 0 HFAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000004474014 557557027 /nfs/dbraw/zinc/55/70/27/557557027.db2.gz JPFOIBXQRIEWIH-SOFZFKJRSA-N -1 0 409.417 2.596 50 0 HFAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)c1 ZINC000004809462 557599971 /nfs/dbraw/zinc/59/99/71/557599971.db2.gz GQVVEJACXFIREK-UHFFFAOYSA-N -1 0 407.923 2.837 50 0 HFAARM COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)[O-])cc1 ZINC000006624412 557710925 /nfs/dbraw/zinc/71/09/25/557710925.db2.gz ITGGGKCDGOWUFJ-OAQYLSRUSA-N -1 0 414.458 2.844 50 0 biogenic HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000002786994 557759134 /nfs/dbraw/zinc/75/91/34/557759134.db2.gz SMEWXXBDLAMFBF-MSOLQXFVSA-N -1 0 411.849 2.834 50 0 HFAARM COC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C1=O ZINC000008399429 557786532 /nfs/dbraw/zinc/78/65/32/557786532.db2.gz WEXFRTJWOAXQEE-ONNFQVAWSA-N -1 0 420.226 2.666 50 0 HFAARM CC(C)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)[O-] ZINC000011635151 558264790 /nfs/dbraw/zinc/26/47/90/558264790.db2.gz NXZLJVZDYMZCMG-SNVBAGLBSA-N -1 0 415.103 2.599 50 0 HFAARM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000011859150 558289536 /nfs/dbraw/zinc/28/95/36/558289536.db2.gz WEVXOCZLFQKZFG-HEHGZKQESA-N -1 0 400.378 2.861 50 0 HFAARM CCn1ccc(-c2cc(C(=O)[O-])c3c(=O)[nH]c(=S)n(-c4ccccc4OC)c3n2)n1 ZINC000020615432 558392502 /nfs/dbraw/zinc/39/25/02/558392502.db2.gz YWZBMNAIBPKRTQ-UHFFFAOYSA-N -1 0 423.454 2.660 50 0 HFAARM COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000021089807 558431065 /nfs/dbraw/zinc/43/10/65/558431065.db2.gz TYTPBLMDVQNIMU-GOSISDBHSA-N -1 0 405.414 2.913 50 0 HFAARM CCN(CCCNC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccccc1 ZINC000021352105 558436963 /nfs/dbraw/zinc/43/69/63/558436963.db2.gz ARRDMEXGYYOLRQ-UHFFFAOYSA-N -1 0 414.531 2.822 50 0 HFAARM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000012630352 558441589 /nfs/dbraw/zinc/44/15/89/558441589.db2.gz NCTYQUNMHSLICP-UHFFFAOYSA-N -1 0 404.872 2.820 50 0 HFAARM Cc1nc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000012931554 558486452 /nfs/dbraw/zinc/48/64/52/558486452.db2.gz MSRIIYQLRMMWBR-MRXNPFEDSA-N -1 0 405.451 2.759 50 0 HFAARM COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000004387415 558487598 /nfs/dbraw/zinc/48/75/98/558487598.db2.gz WEVXOCZLFQKZFG-WWGRRREGSA-N -1 0 400.378 2.861 50 0 HFAARM COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000012992818 558497082 /nfs/dbraw/zinc/49/70/82/558497082.db2.gz HSTWVJJQZURYKD-HOCLYGCPSA-N -1 0 416.861 2.514 50 0 HFAARM CCCCSc1nc([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1C ZINC000013116064 558516210 /nfs/dbraw/zinc/51/62/10/558516210.db2.gz ZVWMPVIVASTROJ-CQSZACIVSA-N -1 0 406.460 2.655 50 0 HFAARM CCOc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)cc1OCC ZINC000013183382 558525393 /nfs/dbraw/zinc/52/53/93/558525393.db2.gz DTXNHLMUMRFGRL-UHFFFAOYSA-N -1 0 423.443 2.754 50 0 HFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013251944 558527891 /nfs/dbraw/zinc/52/78/91/558527891.db2.gz OSWGAIVLSPZGIN-ZIAGYGMSSA-N -1 0 412.895 2.730 50 0 HFAARM O=c1c2ccccc2[n-]c(=S)n1Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000028961892 558707999 /nfs/dbraw/zinc/70/79/99/558707999.db2.gz UYLTZHMDLLJNKE-UHFFFAOYSA-N -1 0 407.542 2.953 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000015341363 558734701 /nfs/dbraw/zinc/73/47/01/558734701.db2.gz CQJTWHNMKJBTIC-GASCZTMLSA-N -1 0 404.488 2.745 50 0 HFAARM O=C(NCCCn1ccnc1)c1cc(Br)cc(Br)c1[O-] ZINC000032998228 558819702 /nfs/dbraw/zinc/81/97/02/558819702.db2.gz JNQTVROXLOTSEC-UHFFFAOYSA-N -1 0 403.074 2.934 50 0 HFAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000017092277 558820660 /nfs/dbraw/zinc/82/06/60/558820660.db2.gz NBOUAFWGZWAPKT-ZIAGYGMSSA-N -1 0 420.531 2.929 50 0 HFAARM COc1ccccc1CNC(=O)Cn1c([O-])nc2c(-c3ccccc3F)c[nH]c2c1=O ZINC000033038081 558862612 /nfs/dbraw/zinc/86/26/12/558862612.db2.gz XWICSIJXBGYJNM-UHFFFAOYSA-N -1 0 422.416 2.561 50 0 HFAARM COc1cccc(CNC(=O)Cn2c([O-])nc3c(-c4ccc(F)cc4)c[nH]c3c2=O)c1 ZINC000033038051 558862663 /nfs/dbraw/zinc/86/26/63/558862663.db2.gz VBNBJXMDHLUROJ-UHFFFAOYSA-N -1 0 422.416 2.561 50 0 HFAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2cc(-c3ccccc3)c(N)n2)c1 ZINC000071415817 558897632 /nfs/dbraw/zinc/89/76/32/558897632.db2.gz TXVYGVLHSGWYSE-UHFFFAOYSA-N -1 0 400.460 2.506 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1F ZINC000023126514 559014276 /nfs/dbraw/zinc/01/42/76/559014276.db2.gz SEBQMMNTCVYIJA-MSOLQXFVSA-N -1 0 420.404 2.986 50 0 HFAARM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)OCc1ccccc1)C[C@H]2C(=O)[O-] ZINC000091302636 559070965 /nfs/dbraw/zinc/07/09/65/559070965.db2.gz GBTIZYRCMIVLGY-HRAATJIYSA-N -1 0 404.463 2.967 50 0 HFAARM CN1CCN(c2cc3c(cc2-c2ccccc2)C(=O)[C@H](C(=O)[O-])CN3C2CC2)CC1 ZINC000100032755 559128834 /nfs/dbraw/zinc/12/88/34/559128834.db2.gz OUWPXSVQYUGQLS-HXUWFJFHSA-N -1 0 405.498 2.971 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1 ZINC000100033221 559128930 /nfs/dbraw/zinc/12/89/30/559128930.db2.gz KOEBLDDEGBTUMX-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM O=C([O-])[C@@H](CSCc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12 ZINC000011865672 559263887 /nfs/dbraw/zinc/26/38/87/559263887.db2.gz HUKWUYRJEKGMFU-QGZVFWFLSA-N -1 0 413.451 2.544 50 0 HFAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccccc1I ZINC000100875087 560761529 /nfs/dbraw/zinc/76/15/29/560761529.db2.gz HXQQFQMDFPILRO-UONOGXRCSA-N -1 0 418.194 2.789 50 0 HFAARM Nc1c2nc(-c3ccc(Cl)cc3Cl)[n-]c(=O)c2nc(=O)n1-c1ccccc1 ZINC000100916289 560763095 /nfs/dbraw/zinc/76/30/95/560763095.db2.gz AOHWZHIOVACTLY-UHFFFAOYSA-N -1 0 400.225 2.855 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)c1 ZINC000101078719 560771233 /nfs/dbraw/zinc/77/12/33/560771233.db2.gz SAYBWUJWHLOBCD-LBPRGKRZSA-N -1 0 402.472 2.901 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000018169961 560780824 /nfs/dbraw/zinc/78/08/24/560780824.db2.gz UAUNNBZTMACTJF-UXHICEINSA-N -1 0 405.458 2.798 50 0 HFAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101096765 560785558 /nfs/dbraw/zinc/78/55/58/560785558.db2.gz RJJYGIJYNCRJQU-WMZOPIPTSA-N -1 0 411.845 2.864 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c(Cl)c1 ZINC000101166635 560787403 /nfs/dbraw/zinc/78/74/03/560787403.db2.gz FIGVCSJYHQECBI-IAGOWNOFSA-N -1 0 415.812 2.719 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(SC)c4)c=3c2=O)cc1 ZINC000101166151 560787444 /nfs/dbraw/zinc/78/74/44/560787444.db2.gz SBFHXYGHTYLAIP-RBUKOAKNSA-N -1 0 423.498 2.903 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c(Cl)c1 ZINC000101166633 560787446 /nfs/dbraw/zinc/78/74/46/560787446.db2.gz FIGVCSJYHQECBI-IRXDYDNUSA-N -1 0 415.812 2.719 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1C ZINC000101169437 560787728 /nfs/dbraw/zinc/78/77/28/560787728.db2.gz PHLMTIOMOUVWTO-WOJBJXKFSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1C ZINC000101169278 560787736 /nfs/dbraw/zinc/78/77/36/560787736.db2.gz DEAMWQZXRBJZPT-MSOLQXFVSA-N -1 0 413.384 2.514 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1 ZINC000101169622 560787810 /nfs/dbraw/zinc/78/78/10/560787810.db2.gz FWVUBNLVHLPBFS-JKSUJKDBSA-N -1 0 419.775 2.550 50 0 HFAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101174351 560787952 /nfs/dbraw/zinc/78/79/52/560787952.db2.gz ZAIMIQWWHRAJGU-OALUTQOASA-N -1 0 409.421 2.881 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262722 560789994 /nfs/dbraw/zinc/78/99/94/560789994.db2.gz FUVIWEMIJHNVGY-RBUKOAKNSA-N -1 0 414.425 2.719 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000101416335 560794584 /nfs/dbraw/zinc/79/45/84/560794584.db2.gz LGDXRHCKEQCRIU-MSOLQXFVSA-N -1 0 411.849 2.834 50 0 HFAARM CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)[nH]c1=O ZINC000101456174 560795382 /nfs/dbraw/zinc/79/53/82/560795382.db2.gz XBRZOOPTIJXJIP-GOSISDBHSA-N -1 0 412.490 2.863 50 0 HFAARM CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000101764878 560801246 /nfs/dbraw/zinc/80/12/46/560801246.db2.gz GBWOAAJZYXSUNI-HNNXBMFYSA-N -1 0 418.881 2.783 50 0 HFAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1cccc(C)c1 ZINC000101802533 560802137 /nfs/dbraw/zinc/80/21/37/560802137.db2.gz WIROAJOJNFVXBJ-UHFFFAOYSA-N -1 0 403.442 2.890 50 0 HFAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)c1 ZINC000101893337 560804593 /nfs/dbraw/zinc/80/45/93/560804593.db2.gz KCNAULWKOJZNHC-MSOLQXFVSA-N -1 0 418.413 2.547 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000102906906 560835084 /nfs/dbraw/zinc/83/50/84/560835084.db2.gz NYXBSIPOMFZYPP-UXHICEINSA-N -1 0 405.458 2.798 50 0 HFAARM Cc1ccc(S(=O)(=O)[C@@H]2CCCC(=O)C2=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000103656170 560843708 /nfs/dbraw/zinc/84/37/08/560843708.db2.gz NPGDCKBPBVCUSJ-RTWAWAEBSA-N -1 0 423.494 2.970 50 0 HFAARM Cc1ccc(S(=O)(=O)[C@H]2CCCC(=O)C2=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000103656178 560843739 /nfs/dbraw/zinc/84/37/39/560843739.db2.gz NPGDCKBPBVCUSJ-LEWJYISDSA-N -1 0 423.494 2.970 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(I)c1 ZINC000048344644 568440921 /nfs/dbraw/zinc/44/09/21/568440921.db2.gz LRRXTMIBUQHNLR-UHFFFAOYSA-N -1 0 416.240 2.915 50 0 HFAARM Cc1cccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C=CC(=O)[O-])cc3)C2=O)c1 ZINC000113564651 568453160 /nfs/dbraw/zinc/45/31/60/568453160.db2.gz NXZAKNNKBQYSTP-OAGJVSPASA-N -1 0 410.451 2.999 50 0 HFAARM CC(C)[C@H](NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-] ZINC000012297023 568462902 /nfs/dbraw/zinc/46/29/02/568462902.db2.gz MMMKHKOPUKRPLE-NRFANRHFSA-N -1 0 411.410 2.770 50 0 biogenic HFAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)[O-] ZINC000012297035 568462960 /nfs/dbraw/zinc/46/29/60/568462960.db2.gz IFCSTIWTUVNXRA-DIFFPNOSSA-N -1 0 405.447 2.667 50 0 biogenic HFAARM COc1cccc(N=C2S[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2C)c1 ZINC000000662202 568465293 /nfs/dbraw/zinc/46/52/93/568465293.db2.gz FQQOHIAVKAHSBS-MRXNPFEDSA-N -1 0 413.455 2.984 50 0 HFAARM COc1ccccc1C1CCN(C(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000219026024 568486055 /nfs/dbraw/zinc/48/60/55/568486055.db2.gz OMDUMRXMJFEVLD-QFIPXVFZSA-N -1 0 402.491 2.695 50 0 HFAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)NCCc1ccccc1 ZINC000012361069 568509419 /nfs/dbraw/zinc/50/94/19/568509419.db2.gz XCMQCRDSEIMJRM-UHFFFAOYSA-N -1 0 409.920 2.902 50 0 HFAARM COc1ccc(S(=O)(=O)Oc2ccc(C)cc2)c([N-]S(=O)(=O)C(F)F)c1 ZINC000095445401 568611720 /nfs/dbraw/zinc/61/17/20/568611720.db2.gz LGWBWYXUBIFSLN-UHFFFAOYSA-N -1 0 407.416 2.736 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)c(Cl)c1Cl ZINC000095447940 568612444 /nfs/dbraw/zinc/61/24/44/568612444.db2.gz GWHFTYYJUIGYGG-UHFFFAOYSA-N -1 0 415.258 2.778 50 0 HFAARM O=C([O-])CCSCc1cccc(NC(=O)CNC(=O)Cc2cccc(F)c2)c1 ZINC000095970659 568671552 /nfs/dbraw/zinc/67/15/52/568671552.db2.gz CWDOIEPMCGFSAW-UHFFFAOYSA-N -1 0 404.463 2.831 50 0 HFAARM COc1ccccc1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)C(=O)[O-] ZINC000095989882 568677887 /nfs/dbraw/zinc/67/78/87/568677887.db2.gz LCOAONJAMVWDKR-PMACEKPBSA-N -1 0 424.497 2.750 50 0 HFAARM COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCO2)c1ccc(C(=O)[O-])cc1 ZINC000096221686 568705062 /nfs/dbraw/zinc/70/50/62/568705062.db2.gz XECIDQXFSQBCJS-QGZVFWFLSA-N -1 0 422.437 2.622 50 0 biogenic HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000096361271 568739370 /nfs/dbraw/zinc/73/93/70/568739370.db2.gz CAPAPWMCMYPKDY-UHFFFAOYSA-N -1 0 420.878 2.803 50 0 HFAARM COc1cccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccccc2OC)c1 ZINC000086066895 568755334 /nfs/dbraw/zinc/75/53/34/568755334.db2.gz LLJWDMUSTWPCBF-UHFFFAOYSA-N -1 0 419.441 2.590 50 0 HFAARM Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000022609321 568771657 /nfs/dbraw/zinc/77/16/57/568771657.db2.gz CIMBTJXQSULXTG-KRWDZBQOSA-N -1 0 423.498 2.945 50 0 HFAARM COC(=O)c1sc2nc(C)nc(SCC(=O)N3CCC(C(=O)[O-])CC3)c2c1C ZINC000003291069 568873705 /nfs/dbraw/zinc/87/37/05/568873705.db2.gz IITGIJXNMDDSEQ-UHFFFAOYSA-N -1 0 423.516 2.510 50 0 HFAARM CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000004026374 568878193 /nfs/dbraw/zinc/87/81/93/568878193.db2.gz LIMGICFXHVUYQP-ZVIFMPMTSA-N -1 0 420.477 2.942 50 0 biogenic HFAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000003422967 568900228 /nfs/dbraw/zinc/90/02/28/568900228.db2.gz KKOYNUSWTVIWJW-UHFFFAOYSA-N -1 0 422.528 2.865 50 0 HFAARM CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000217796084 568912857 /nfs/dbraw/zinc/91/28/57/568912857.db2.gz ZTZOKDDWFXARTO-CYBMUJFWSA-N -1 0 423.377 2.951 50 0 biogenic HFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(I)cc2)cc1 ZINC000004194865 568934891 /nfs/dbraw/zinc/93/48/91/568934891.db2.gz YWZNEFWDQWLCIC-UHFFFAOYSA-N -1 0 401.225 2.718 50 0 HFAARM CC(C)[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004085077 568940204 /nfs/dbraw/zinc/94/02/04/568940204.db2.gz JRQNBFOSWVZOLC-ICSRJNTNSA-N -1 0 420.465 2.728 50 0 biogenic HFAARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)/C=C/c3ccc(O)c(OC)c3)c2c1 ZINC000004090860 568942254 /nfs/dbraw/zinc/94/22/54/568942254.db2.gz ATHXJZDXLIBTHF-XBXARRHUSA-N -1 0 410.426 2.961 50 0 biogenic HFAARM CCCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000012764520 568947552 /nfs/dbraw/zinc/94/75/52/568947552.db2.gz ROOKBRJNCGJCDQ-MRXNPFEDSA-N -1 0 404.536 2.987 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3ccc4nncn4n3)c2)c1 ZINC000004270258 568956597 /nfs/dbraw/zinc/95/65/97/568956597.db2.gz OKQCKHNMJZEXJU-UHFFFAOYSA-N -1 0 411.443 2.609 50 0 HFAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)OCCCO2 ZINC000008053156 568970848 /nfs/dbraw/zinc/97/08/48/568970848.db2.gz HMGXSJUYKZVPOI-UHFFFAOYSA-N -1 0 406.851 2.883 50 0 HFAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1C ZINC000015780553 569002249 /nfs/dbraw/zinc/00/22/49/569002249.db2.gz ZXZZKTMRLWMBBA-UHFFFAOYSA-N -1 0 424.544 2.961 50 0 HFAARM O=C([O-])c1ccccc1NC(=O)C(=O)NN=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1 ZINC000015978946 569025268 /nfs/dbraw/zinc/02/52/68/569025268.db2.gz CRMQGTZUFQNKGI-HFICNYIYSA-N -1 0 416.777 2.613 50 0 HFAARM CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1S(=O)(=O)N(C)C ZINC000012948072 569029250 /nfs/dbraw/zinc/02/92/50/569029250.db2.gz MTIIVRLIBYOCDM-UHFFFAOYSA-N -1 0 412.508 2.699 50 0 HFAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1 ZINC000006395744 569046641 /nfs/dbraw/zinc/04/66/41/569046641.db2.gz ZMWPXANMZDQJJE-ZWKOTPCHSA-N -1 0 406.504 2.713 50 0 HFAARM Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)c2cccc(Cl)c2)cc1 ZINC000035681679 569048935 /nfs/dbraw/zinc/04/89/35/569048935.db2.gz CYTZONHMAZBPKQ-KTKRTIGZSA-N -1 0 407.875 2.965 50 0 HFAARM O=C([O-])[C@@H](c1c[nH]c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc21)[NH+]1CCCC1 ZINC000245255248 569055478 /nfs/dbraw/zinc/05/54/78/569055478.db2.gz GIYLVYAWFBHSBT-SPYBWZPUSA-N -1 0 411.458 2.995 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)cc1 ZINC000064565337 569066998 /nfs/dbraw/zinc/06/69/98/569066998.db2.gz CZBNTXIHBMKAQF-SJORKVTESA-N -1 0 406.377 2.678 50 0 HFAARM COCC(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC000064589848 569069083 /nfs/dbraw/zinc/06/90/83/569069083.db2.gz RUAQONQINPYIDO-UHFFFAOYSA-N -1 0 403.866 2.950 50 0 HFAARM CC[C@@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000006624117 569075492 /nfs/dbraw/zinc/07/54/92/569075492.db2.gz HCJRVQNWVVWFGR-CQSZACIVSA-N -1 0 417.458 2.872 50 0 biogenic HFAARM COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)N[C@@H](C)C(=O)[O-])CC2 ZINC000006764224 569114325 /nfs/dbraw/zinc/11/43/25/569114325.db2.gz AKCZUQBSLOSRHR-BUXKBTBVSA-N -1 0 402.422 2.973 50 0 HFAARM O=C(Nc1ccc(F)cc1)c1nnc(C[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000064991572 569149091 /nfs/dbraw/zinc/14/90/91/569149091.db2.gz APZGZNGILQAVNK-UHFFFAOYSA-N -1 0 410.427 2.547 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1OC ZINC000065196203 569194551 /nfs/dbraw/zinc/19/45/51/569194551.db2.gz RTJJEYXZHMVADL-UHFFFAOYSA-N -1 0 422.528 2.861 50 0 HFAARM COc1cc(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)cc(OC)c1 ZINC000065249945 569205927 /nfs/dbraw/zinc/20/59/27/569205927.db2.gz YECGZJLYRVCVCV-UHFFFAOYSA-N -1 0 424.388 2.828 50 0 HFAARM COc1cc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc(OC)c1 ZINC000065250038 569205995 /nfs/dbraw/zinc/20/59/95/569205995.db2.gz PQASQLZXECAFTD-UHFFFAOYSA-N -1 0 420.425 2.997 50 0 HFAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2cccc(Br)c2)cc2c(=O)[nH]nc1-2 ZINC000524733684 569213900 /nfs/dbraw/zinc/21/39/00/569213900.db2.gz FUNGHJVGDNPNPB-ZDUSSCGKSA-N -1 0 420.219 2.702 50 0 HFAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nnc(C)s2)cc1)C(=O)[O-] ZINC000037018975 569235153 /nfs/dbraw/zinc/23/51/53/569235153.db2.gz JGGQEDJDMZRMAQ-HSTULFTRSA-N -1 0 406.489 2.935 50 0 HFAARM CS(=O)(=O)C[C@@H](NC(=O)c1cc(F)cc(Br)c1[O-])c1ccccc1 ZINC000170610338 569245294 /nfs/dbraw/zinc/24/52/94/569245294.db2.gz LOXCAWMMTNREAT-CQSZACIVSA-N -1 0 416.268 2.810 50 0 HFAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000170625779 569250202 /nfs/dbraw/zinc/25/02/02/569250202.db2.gz LLHHLGXNWNKJCY-UHFFFAOYSA-N -1 0 415.298 2.942 50 0 HFAARM COc1cc(OC)c(C=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)cc1Br ZINC000254398801 569254681 /nfs/dbraw/zinc/25/46/81/569254681.db2.gz QMDSPBQCRSRRAN-NSHDSACASA-N -1 0 416.253 2.703 50 0 HFAARM O=C([O-])/C=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013579008 569256321 /nfs/dbraw/zinc/25/63/21/569256321.db2.gz BQNSXCKIPAXIKU-MDZDMXLPSA-N -1 0 402.790 2.715 50 0 HFAARM CCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000002829030 569278151 /nfs/dbraw/zinc/27/81/51/569278151.db2.gz JQCNVRYAVNJZNG-UHFFFAOYSA-N -1 0 402.520 2.601 50 0 HFAARM O=C([O-])[C@H](CSCc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12 ZINC000002098869 569281120 /nfs/dbraw/zinc/28/11/20/569281120.db2.gz HUKWUYRJEKGMFU-KRWDZBQOSA-N -1 0 413.451 2.544 50 0 biogenic HFAARM COc1ccc2c(C)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc2c1C ZINC000002100616 569281347 /nfs/dbraw/zinc/28/13/47/569281347.db2.gz RRPNRAOSIKSLHI-UHFFFAOYSA-N -1 0 401.459 2.968 50 0 biogenic HFAARM CSCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002103808 569281875 /nfs/dbraw/zinc/28/18/75/569281875.db2.gz DIZVZIUONBZKTN-ZFWWWQNUSA-N -1 0 407.488 2.808 50 0 biogenic HFAARM CSCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002115024 569284542 /nfs/dbraw/zinc/28/45/42/569284542.db2.gz VAUGZIRBCJRMHN-DOMZBBRYSA-N -1 0 419.499 2.680 50 0 biogenic HFAARM CCOc1c(I)cc(C(=O)[O-])cc1I ZINC000252499089 569291081 /nfs/dbraw/zinc/29/10/81/569291081.db2.gz RVHJWUJWRPUGQC-UHFFFAOYSA-N -1 0 417.968 2.993 50 0 HFAARM CSCC[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000027528365 569364262 /nfs/dbraw/zinc/36/42/62/569364262.db2.gz QGRPCLJHUKICDK-AYYGCFCKSA-N -1 0 406.435 2.512 50 0 HFAARM CCOC(=O)CSc1n[n-]c2nc3sc4c(c3c(=O)n21)CC(C)(C)SC4 ZINC000002334149 569375182 /nfs/dbraw/zinc/37/51/82/569375182.db2.gz ZPWSMZOQQXCUII-UHFFFAOYSA-N -1 0 410.546 2.855 50 0 HFAARM CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1 ZINC000328598917 569416221 /nfs/dbraw/zinc/41/62/21/569416221.db2.gz PATQXIAMZQQLCE-UHFFFAOYSA-N -1 0 413.477 2.549 50 0 HFAARM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1noc(C)n1 ZINC000078808826 569420544 /nfs/dbraw/zinc/42/05/44/569420544.db2.gz UVZYUIJXTKQCQO-MRXNPFEDSA-N -1 0 413.377 2.872 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)ccc1C ZINC000078933465 569421650 /nfs/dbraw/zinc/42/16/50/569421650.db2.gz DMDBXIKAZZFOTD-WMZOPIPTSA-N -1 0 418.515 2.695 50 0 HFAARM O=C([O-])CCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(Cl)cc2)N1 ZINC000009088168 571220055 /nfs/dbraw/zinc/22/00/55/571220055.db2.gz DEGDCKPZMHHXEQ-QGZVFWFLSA-N -1 0 423.860 2.949 50 0 HFAARM Cc1[n-]n2c(nc(SCC(=O)NCCc3ccccc3)nc2=O)c1-c1ccccc1 ZINC000009107529 571221881 /nfs/dbraw/zinc/22/18/81/571221881.db2.gz JWUGTEIOXHLIGW-UHFFFAOYSA-N -1 0 419.510 2.844 50 0 HFAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccsc2)C1 ZINC000069375063 571224895 /nfs/dbraw/zinc/22/48/95/571224895.db2.gz XHPGPQXQMFPOGD-MRXNPFEDSA-N -1 0 421.500 2.662 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)c1 ZINC000009173157 571234042 /nfs/dbraw/zinc/23/40/42/571234042.db2.gz TUYINPGGZQGRBT-UHFFFAOYSA-N -1 0 406.460 2.862 50 0 HFAARM CC1(C)Cc2sc3c(c2CO1)n(CC(=O)[O-])c(=O)n(-c1ccc(Cl)cc1)c3=O ZINC000009186440 571234922 /nfs/dbraw/zinc/23/49/22/571234922.db2.gz SEMYEJZFPJREPB-UHFFFAOYSA-N -1 0 420.874 2.803 50 0 HFAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009582188 571271037 /nfs/dbraw/zinc/27/10/37/571271037.db2.gz JMIRKGFGWYPOFC-UHFFFAOYSA-N -1 0 408.520 2.687 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c(Cl)c1 ZINC000009674905 571278846 /nfs/dbraw/zinc/27/88/46/571278846.db2.gz FIGVCSJYHQECBI-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)NCc1ccc(F)cc1 ZINC000009762020 571284588 /nfs/dbraw/zinc/28/45/88/571284588.db2.gz VQSMGRIVLKYSHI-UHFFFAOYSA-N -1 0 413.883 2.999 50 0 HFAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)c1 ZINC000009828224 571286850 /nfs/dbraw/zinc/28/68/50/571286850.db2.gz VFWPATGDEMXTCI-UHFFFAOYSA-N -1 0 404.488 2.913 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1F ZINC000009835835 571287807 /nfs/dbraw/zinc/28/78/07/571287807.db2.gz WGRFQZYFAWLELV-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1cc(C)n(-c2ncc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cn2)n1 ZINC000077100031 571311155 /nfs/dbraw/zinc/31/11/55/571311155.db2.gz FSILKADGBXCUKG-UHFFFAOYSA-N -1 0 413.381 2.979 50 0 HFAARM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000328594461 571317262 /nfs/dbraw/zinc/31/72/62/571317262.db2.gz LMGJWVOXVOWSTD-HZPDHXFCSA-N -1 0 420.465 2.943 50 0 HFAARM Cc1cccc(NC(=O)c2cc(NC(=O)CCC(=O)[O-])ccc2N2CCOCC2)c1 ZINC000002861926 132258643 /nfs/dbraw/zinc/25/86/43/132258643.db2.gz XNSXEEZLCHFVIS-UHFFFAOYSA-N -1 0 411.458 2.887 50 0 HFAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000012180498 132355804 /nfs/dbraw/zinc/35/58/04/132355804.db2.gz PRANUBNDTLLLCS-UHFFFAOYSA-N -1 0 416.471 2.868 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC)c3)[nH]n2)cc1 ZINC000032951054 521129808 /nfs/dbraw/zinc/12/98/08/521129808.db2.gz RNVXABZCKVMDMZ-UHFFFAOYSA-N -1 0 416.459 2.870 50 0 HFAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nc4nc(C)cc(C)n4n3)c12 ZINC000032874001 525667438 /nfs/dbraw/zinc/66/74/38/525667438.db2.gz IOURAYYCMBWBHB-UHFFFAOYSA-N -1 0 401.473 2.943 50 0 HFAARM Cc1ccc([C@@H](C(=O)[O-])N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000032801328 525680935 /nfs/dbraw/zinc/68/09/35/525680935.db2.gz SMFKWTQRQFFWMP-FQEVSTJZSA-N -1 0 402.516 2.744 50 0 HFAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O ZINC000019771116 526398013 /nfs/dbraw/zinc/39/80/13/526398013.db2.gz GDTNUBDCJPYULZ-GOSISDBHSA-N -1 0 412.467 2.646 50 0 HFAARM Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)[O-] ZINC000299756208 526702290 /nfs/dbraw/zinc/70/22/90/526702290.db2.gz JTQADYKLNBKVNV-UHFFFAOYSA-N -1 0 411.414 2.869 50 0 HFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccnc1Cl ZINC000032895075 527253741 /nfs/dbraw/zinc/25/37/41/527253741.db2.gz ZHTAWRIHYNNYDY-UHFFFAOYSA-N -1 0 415.924 2.710 50 0 HFAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000794203 557082445 /nfs/dbraw/zinc/08/24/45/557082445.db2.gz ATQIMNBARIFWDI-MSOLQXFVSA-N -1 0 408.520 2.937 50 0 HFAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(OC)c1 ZINC000000917317 557117805 /nfs/dbraw/zinc/11/78/05/557117805.db2.gz GIDLHYGTNQQTSG-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM CCCOc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)cc1OC ZINC000034767175 557462424 /nfs/dbraw/zinc/46/24/24/557462424.db2.gz YJDSEPLVOQLGHK-UHFFFAOYSA-N -1 0 423.473 2.686 50 0 HFAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCc1cccnc1 ZINC000034767572 557462759 /nfs/dbraw/zinc/46/27/59/557462759.db2.gz JEWCPNAZSYIMMC-UHFFFAOYSA-N -1 0 403.364 2.907 50 0 HFAARM C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(O)c2C(=O)O1 ZINC000003874552 557501868 /nfs/dbraw/zinc/50/18/68/557501868.db2.gz RWQKHEORZBHNRI-MEBBXXQBSA-N -1 0 403.818 2.573 50 0 biogenic,in-vitro HFAARM CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000004037878 557506966 /nfs/dbraw/zinc/50/69/66/557506966.db2.gz LTKATAYITAICPH-PXAZEXFGSA-N -1 0 419.499 2.762 50 0 biogenic HFAARM O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004179716 557525381 /nfs/dbraw/zinc/52/53/81/557525381.db2.gz XAHTVKKXHADIMC-MBDNFAEBSA-N -1 0 420.509 2.798 50 0 HFAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2I)cc1 ZINC000004343485 557544301 /nfs/dbraw/zinc/54/43/01/557544301.db2.gz HMGCISWZVOEXSR-UHFFFAOYSA-N -1 0 403.197 2.790 50 0 HFAARM CC(C)OC(=O)CN1C(=O)S/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C1=O ZINC000004674822 557579865 /nfs/dbraw/zinc/57/98/65/557579865.db2.gz ZAVXNIKNXGGGDZ-VIZOYTHASA-N -1 0 402.428 2.714 50 0 HFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 ZINC000002685637 557740107 /nfs/dbraw/zinc/74/01/07/557740107.db2.gz HYWVNVGDBDEMKG-UHFFFAOYSA-N -1 0 424.529 2.702 50 0 HFAARM CC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020357466 558357952 /nfs/dbraw/zinc/35/79/52/558357952.db2.gz DNTYPBTWWIZIDY-GZTJUZNOSA-N -1 0 413.817 2.715 50 0 HFAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]N1C(=O)N[C@@](C)(c2ccco2)C1=O ZINC000021554686 558441400 /nfs/dbraw/zinc/44/14/00/558441400.db2.gz HNQMAWINHUIYGB-IBGZPJMESA-N -1 0 414.418 2.963 50 0 HFAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000013002773 558501087 /nfs/dbraw/zinc/50/10/87/558501087.db2.gz YXJCJVHVFFEZGH-SJORKVTESA-N -1 0 406.504 2.775 50 0 HFAARM COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)[O-] ZINC000013547795 558538321 /nfs/dbraw/zinc/53/83/21/558538321.db2.gz JJXXJCMVHFBOLY-UHFFFAOYSA-N -1 0 400.500 2.652 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(F)c4)c=3c2=O)cc1C ZINC000004484088 558603439 /nfs/dbraw/zinc/60/34/39/558603439.db2.gz MGXTYNDWNBDIAK-RTBURBONSA-N -1 0 409.421 2.683 50 0 HFAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000025285440 558636730 /nfs/dbraw/zinc/63/67/30/558636730.db2.gz QPXWYNCFKOULIR-LBPRGKRZSA-N -1 0 407.245 2.967 50 0 HFAARM CCCNc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000026540760 558662935 /nfs/dbraw/zinc/66/29/35/558662935.db2.gz KSYHKDWPISWAJW-UHFFFAOYSA-N -1 0 417.940 2.919 50 0 HFAARM CCOc1cc([C@@H]2[C@@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)ccc1O ZINC000004563487 558733174 /nfs/dbraw/zinc/73/31/74/558733174.db2.gz NDWNFEKGSDLQNB-RBUKOAKNSA-N -1 0 401.415 2.803 50 0 HFAARM O=C(c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c[nH]1)N1CCCC1 ZINC000072301043 558750819 /nfs/dbraw/zinc/75/08/19/558750819.db2.gz HYZHEGPUUJCTCO-UHFFFAOYSA-N -1 0 403.382 2.776 50 0 HFAARM O=C(NC[C@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115294 558761637 /nfs/dbraw/zinc/76/16/37/558761637.db2.gz XIOXQKYFUIMEJH-MRXNPFEDSA-N -1 0 406.529 2.876 50 0 HFAARM CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017093213 558821564 /nfs/dbraw/zinc/82/15/64/558821564.db2.gz LXLXHBIYWITRBZ-OALUTQOASA-N -1 0 422.547 2.534 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3=COCCO3)ccc2Cl)cc1 ZINC000033026204 558847736 /nfs/dbraw/zinc/84/77/36/558847736.db2.gz YABRTSKRWZZERG-UHFFFAOYSA-N -1 0 424.862 2.976 50 0 HFAARM CO[C@H](C)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000071498065 558903307 /nfs/dbraw/zinc/90/33/07/558903307.db2.gz ZXJWGMHWHYTDJO-CQSZACIVSA-N -1 0 405.472 2.780 50 0 HFAARM CCC(=O)c1cc2c(cc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)OCCO2 ZINC000004723314 558922417 /nfs/dbraw/zinc/92/24/17/558922417.db2.gz CPPRCNFITYNORJ-UHFFFAOYSA-N -1 0 404.444 2.869 50 0 HFAARM CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OCc1ccccc1 ZINC000058393491 558923746 /nfs/dbraw/zinc/92/37/46/558923746.db2.gz PXBCBMZUHXJXPR-QGZVFWFLSA-N -1 0 401.488 2.532 50 0 HFAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCC2)c1 ZINC000058417102 558925406 /nfs/dbraw/zinc/92/54/06/558925406.db2.gz YIRRZTDJXHCDLK-UHFFFAOYSA-N -1 0 412.471 2.817 50 0 HFAARM O=C(CCc1cc(Cl)no1)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097097986 558991767 /nfs/dbraw/zinc/99/17/67/558991767.db2.gz MNGXYXXSIXASMJ-UHFFFAOYSA-N -1 0 423.860 2.849 50 0 HFAARM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)cc(C(=O)OC)c1 ZINC000004732827 559033444 /nfs/dbraw/zinc/03/34/44/559033444.db2.gz CMPHAQRIRVDLSU-UHFFFAOYSA-N -1 0 400.412 2.609 50 0 HFAARM CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)c1cc(=O)[nH][n-]1 ZINC000091320132 559071048 /nfs/dbraw/zinc/07/10/48/559071048.db2.gz FTFUASUPKVCITL-KRWDZBQOSA-N -1 0 406.490 2.985 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl ZINC000100033364 559128931 /nfs/dbraw/zinc/12/89/31/559128931.db2.gz LIRIGRJSHBWVEM-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000100036713 559129007 /nfs/dbraw/zinc/12/90/07/559129007.db2.gz XZALHIMKSXCTOS-MOPGFXCFSA-N -1 0 423.498 2.957 50 0 HFAARM COC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000103129987 559154662 /nfs/dbraw/zinc/15/46/62/559154662.db2.gz BNFAIQBZXQFKSK-GDBMZVCRSA-N -1 0 418.236 2.901 50 0 HFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1C ZINC000005075784 559240845 /nfs/dbraw/zinc/24/08/45/559240845.db2.gz XRGQTZNZODCARP-UHFFFAOYSA-N -1 0 410.517 2.653 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)n2)cc1 ZINC000038486716 559256132 /nfs/dbraw/zinc/25/61/32/559256132.db2.gz WMFYRTZSICITCI-SJORKVTESA-N -1 0 406.377 2.678 50 0 HFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000024153249 559274476 /nfs/dbraw/zinc/27/44/76/559274476.db2.gz ARSNCUHSTDRVHK-UHFFFAOYSA-N -1 0 422.528 2.738 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000005329645 560565553 /nfs/dbraw/zinc/56/55/53/560565553.db2.gz QBSROUPSDFSXGR-UHFFFAOYSA-N -1 0 406.460 2.640 50 0 HFAARM COc1ccc(N2N=C(C(C)=O)C3=C([O-])N(c4cccc(Cl)c4C)C(=O)[C@H]32)cc1 ZINC000101116559 560786922 /nfs/dbraw/zinc/78/69/22/560786922.db2.gz NBMUROVNAAZXJE-HKUYNNGSSA-N -1 0 411.845 2.980 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000101165994 560787310 /nfs/dbraw/zinc/78/73/10/560787310.db2.gz KCLQTHJBEAPKGE-VQTJNVASSA-N -1 0 421.457 2.751 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1C ZINC000101169491 560787750 /nfs/dbraw/zinc/78/77/50/560787750.db2.gz BGBWRPVNSXVJLJ-ROUUACIJSA-N -1 0 413.384 2.514 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1 ZINC000101174392 560788008 /nfs/dbraw/zinc/78/80/08/560788008.db2.gz GHPVWUHUEAVDHS-UXHICEINSA-N -1 0 405.458 2.798 50 0 HFAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)cc4)nnn32)cc1 ZINC000101353798 560792275 /nfs/dbraw/zinc/79/22/75/560792275.db2.gz HKWRRJWOTKCVFL-QGZVFWFLSA-N -1 0 405.414 2.831 50 0 HFAARM COc1ccccc1N1C(=O)[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]2C1=O ZINC000101344143 560793122 /nfs/dbraw/zinc/79/31/22/560793122.db2.gz KYZPXRYVJLYDBS-HOCLYGCPSA-N -1 0 401.216 2.750 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)c(Cl)c4)c=3c2=O)cc1 ZINC000101386796 560793925 /nfs/dbraw/zinc/79/39/25/560793925.db2.gz MVJAHGLIJKBYQK-IRXDYDNUSA-N -1 0 415.812 2.719 50 0 HFAARM Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)c(C)c1 ZINC000101490855 560795898 /nfs/dbraw/zinc/79/58/98/560795898.db2.gz XZNLTPNQKJLAKU-HXUWFJFHSA-N -1 0 421.497 2.992 50 0 HFAARM CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(OC)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000101495205 560796357 /nfs/dbraw/zinc/79/63/57/560796357.db2.gz HMTOQRZNEFQBIE-GFCCVEGCSA-N -1 0 404.492 2.867 50 0 HFAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCc4ccccc4OC)c3=O)c2c1 ZINC000101497630 560796479 /nfs/dbraw/zinc/79/64/79/560796479.db2.gz JFSJNRVLPZZVGA-UHFFFAOYSA-N -1 0 424.482 2.874 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2 ZINC000101581106 560797104 /nfs/dbraw/zinc/79/71/04/560797104.db2.gz UURSOTXSBVFFQH-QUCCMNQESA-N -1 0 421.453 2.691 50 0 HFAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1cccs1 ZINC000101765052 560799553 /nfs/dbraw/zinc/79/95/53/560799553.db2.gz KEIFBXQPVKBDAT-AWEZNQCLSA-N -1 0 416.503 2.897 50 0 HFAARM CCOc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)=NN1 ZINC000101763041 560800852 /nfs/dbraw/zinc/80/08/52/560800852.db2.gz SGPQURCRQBRBCI-QGZVFWFLSA-N -1 0 420.469 2.686 50 0 HFAARM Cc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)s1 ZINC000101763235 560801117 /nfs/dbraw/zinc/80/11/17/560801117.db2.gz CTHHHUIIMJCECS-GFCCVEGCSA-N -1 0 402.863 2.693 50 0 HFAARM COc1ccccc1C(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1cccc(C)c1 ZINC000101802253 560802081 /nfs/dbraw/zinc/80/20/81/560802081.db2.gz QSISPHLDXFBZQV-UHFFFAOYSA-N -1 0 403.442 2.890 50 0 HFAARM Cc1nc(-n2[n-]c(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)sc1C ZINC000101831513 560802903 /nfs/dbraw/zinc/80/29/03/560802903.db2.gz XMIGUNHUFKVERJ-UHFFFAOYSA-N -1 0 411.531 2.851 50 0 HFAARM Cc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000020035271 568586468 /nfs/dbraw/zinc/58/64/68/568586468.db2.gz LYOQSXPAAXXJGG-PSXSOWLISA-N -1 0 424.453 2.720 50 0 HFAARM COc1ccc(COCC(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000095424067 568607480 /nfs/dbraw/zinc/60/74/80/568607480.db2.gz WMHGJCQRAPJHPE-KRWDZBQOSA-N -1 0 403.431 2.561 50 0 HFAARM CS(=O)(=O)c1cc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC000095425590 568607939 /nfs/dbraw/zinc/60/79/39/568607939.db2.gz HZEIXPONSDBZAJ-UHFFFAOYSA-N -1 0 421.431 2.527 50 0 HFAARM COC(=O)c1ccsc1[N-]S(=O)(=O)c1cccc(I)c1 ZINC000095447985 568612463 /nfs/dbraw/zinc/61/24/63/568612463.db2.gz UNIISNNVGSYSPM-UHFFFAOYSA-N -1 0 423.253 2.940 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2ccc(F)cc2)cc1 ZINC000096361036 568738936 /nfs/dbraw/zinc/73/89/36/568738936.db2.gz HKABLHZTOGQXEB-UHFFFAOYSA-N -1 0 418.450 2.597 50 0 HFAARM COc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)c(F)c1 ZINC000096361100 568739045 /nfs/dbraw/zinc/73/90/45/568739045.db2.gz QOCKGDDZVMRNAU-UHFFFAOYSA-N -1 0 404.423 2.919 50 0 HFAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)Cc2ccccc2)cc1 ZINC000086066706 568755213 /nfs/dbraw/zinc/75/52/13/568755213.db2.gz JQNURACYIWNQRI-UHFFFAOYSA-N -1 0 403.442 2.511 50 0 HFAARM CCOc1nc(NC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)nc(-c2ccccc2)n1 ZINC000001074354 568766793 /nfs/dbraw/zinc/76/67/93/568766793.db2.gz OCWYMMTUZWHJOD-UHFFFAOYSA-N -1 0 417.422 2.587 50 0 HFAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(CC)CC2)cc1 ZINC000022468469 568768409 /nfs/dbraw/zinc/76/84/09/568768409.db2.gz AIQPVKIOTAQADZ-KRWDZBQOSA-N -1 0 401.536 2.930 50 0 HFAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)cc1OC ZINC000022468439 568768444 /nfs/dbraw/zinc/76/84/44/568768444.db2.gz GHPIHHAPYTVMQJ-QGZVFWFLSA-N -1 0 417.535 2.549 50 0 HFAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000022609384 568771651 /nfs/dbraw/zinc/77/16/51/568771651.db2.gz APKGCPYUHTYUJG-MQIPJXDCSA-N -1 0 404.492 2.712 50 0 HFAARM O=C(c1ccco1)N1CCN([C@@H](c2cccs2)c2sc3ncnn3c2[O-])CC1 ZINC000022610222 568771932 /nfs/dbraw/zinc/77/19/32/568771932.db2.gz SBHHTEODLJLNJA-AWEZNQCLSA-N -1 0 415.500 2.698 50 0 HFAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(Br)cc1Cl ZINC000055601840 568780342 /nfs/dbraw/zinc/78/03/42/568780342.db2.gz XHCBDEWIXMAXKM-UHFFFAOYSA-N -1 0 414.672 2.879 50 0 HFAARM COC(=O)CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C ZINC000006024036 568835631 /nfs/dbraw/zinc/83/56/31/568835631.db2.gz MSROEHVNGGLFBT-UHFFFAOYSA-N -1 0 406.460 2.696 50 0 HFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCC2)cc1 ZINC000012552083 568853946 /nfs/dbraw/zinc/85/39/46/568853946.db2.gz QSGCIVWKTOHQSK-UHFFFAOYSA-N -1 0 402.472 2.946 50 0 HFAARM COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000012556985 568855834 /nfs/dbraw/zinc/85/58/34/568855834.db2.gz WJRSMUZNRJTJRC-UHFFFAOYSA-N -1 0 416.249 2.965 50 0 HFAARM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000058017100 568876350 /nfs/dbraw/zinc/87/63/50/568876350.db2.gz DQGLUGYNKRLJGZ-UHFFFAOYSA-N -1 0 406.435 2.649 50 0 HFAARM COc1ccc(-c2nnc(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])o2)cc1 ZINC000003345581 568884495 /nfs/dbraw/zinc/88/44/95/568884495.db2.gz HFUFKBDXMJJGDC-INIZCTEOSA-N -1 0 413.455 2.649 50 0 HFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1 ZINC000004725610 568932731 /nfs/dbraw/zinc/93/27/31/568932731.db2.gz ABHCWZDGZABXRC-WOJGMQOQSA-N -1 0 400.394 2.819 50 0 HFAARM Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCCC(=O)[O-])c12)OC(C)(C)CC3 ZINC000004090203 568941837 /nfs/dbraw/zinc/94/18/37/568941837.db2.gz DSXXOYYBMYKRIU-UHFFFAOYSA-N -1 0 403.431 2.565 50 0 biogenic HFAARM CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2)CC1 ZINC000004100475 568942617 /nfs/dbraw/zinc/94/26/17/568942617.db2.gz QWQDEYBWNWMGLA-HNNXBMFYSA-N -1 0 401.492 2.668 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(C)cc(Nn3c(N)csc3=S)n2)cc1 ZINC000006116011 569005072 /nfs/dbraw/zinc/00/50/72/569005072.db2.gz NAKGWMFMDRRKOO-UHFFFAOYSA-N -1 0 408.534 2.532 50 0 HFAARM COc1ccc(OC)c(-n2c(CCn3ncc4ccccc4c3=O)n[n-]c2=S)c1 ZINC000006136546 569014180 /nfs/dbraw/zinc/01/41/80/569014180.db2.gz MIOPSUQLZCMYRC-UHFFFAOYSA-N -1 0 409.471 2.900 50 0 HFAARM NC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146970 569014649 /nfs/dbraw/zinc/01/46/49/569014649.db2.gz RAWZCRNTGAYQQM-UHFFFAOYSA-N -1 0 413.430 2.978 50 0 HFAARM COCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000035829484 569061843 /nfs/dbraw/zinc/06/18/43/569061843.db2.gz GKEJUMWNQKJRKZ-WQRHYEAKSA-N -1 0 422.416 2.956 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4Cl)no3)c=2c(=O)n1-c1ccccc1 ZINC000064565327 569066985 /nfs/dbraw/zinc/06/69/85/569066985.db2.gz XACRMBVYEPVHIQ-JKSUJKDBSA-N -1 0 408.805 2.883 50 0 HFAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1 ZINC000006602263 569069959 /nfs/dbraw/zinc/06/99/59/569069959.db2.gz AUKATFRNMAVQMX-UHFFFAOYSA-N -1 0 406.851 2.898 50 0 HFAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000006729384 569102766 /nfs/dbraw/zinc/10/27/66/569102766.db2.gz ZAIMIQWWHRAJGU-MOPGFXCFSA-N -1 0 409.421 2.881 50 0 HFAARM O=C([O-])[C@H](c1c[nH]c2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc21)[NH+]1CCCC1 ZINC000036357140 569148845 /nfs/dbraw/zinc/14/88/45/569148845.db2.gz CVVAMRVBJQYEBK-FCEWJHQRSA-N -1 0 411.458 2.995 50 0 HFAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036360881 569151994 /nfs/dbraw/zinc/15/19/94/569151994.db2.gz PEHWQWIHWDQWIX-KRWDZBQOSA-N -1 0 417.462 2.555 50 0 HFAARM Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)[O-] ZINC000036360953 569152122 /nfs/dbraw/zinc/15/21/22/569152122.db2.gz IDHFXTGKRMMDPW-QGZVFWFLSA-N -1 0 417.462 2.555 50 0 HFAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c1 ZINC000006887557 569170806 /nfs/dbraw/zinc/17/08/06/569170806.db2.gz DWORXJPMUPHIPH-UHFFFAOYSA-N -1 0 405.432 2.628 50 0 HFAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3cccc(F)c3)c2)no1)N1CCCC1 ZINC000065097385 569176519 /nfs/dbraw/zinc/17/65/19/569176519.db2.gz JSVIBOWVSLGBJH-UHFFFAOYSA-N -1 0 422.463 2.974 50 0 HFAARM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccccc3)c2)o1)N1CCCC1 ZINC000065098879 569176898 /nfs/dbraw/zinc/17/68/98/569176898.db2.gz AJCXYZXCWMATSD-UHFFFAOYSA-N -1 0 404.473 2.835 50 0 HFAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)cn21 ZINC000065247286 569205796 /nfs/dbraw/zinc/20/57/96/569205796.db2.gz FODLNKPTLZJOBX-UHFFFAOYSA-N -1 0 410.883 2.541 50 0 HFAARM O=C(c1ccncc1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260865 569209642 /nfs/dbraw/zinc/20/96/42/569209642.db2.gz XBRVZFGBKFJAPC-UHFFFAOYSA-N -1 0 405.845 2.937 50 0 HFAARM O=C([N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C12CC3CC(CC(C3)C1)C2 ZINC000089764938 569263692 /nfs/dbraw/zinc/26/36/92/569263692.db2.gz FKZMLIALZQJGEG-UHFFFAOYSA-N -1 0 424.906 2.692 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCc1ccccc1Cl)c2=O ZINC000016842113 569264654 /nfs/dbraw/zinc/26/46/54/569264654.db2.gz FVFKVAQQTNFUIG-UHFFFAOYSA-N -1 0 417.874 2.815 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)[nH]n2)cc1 ZINC000016843459 569264894 /nfs/dbraw/zinc/26/48/94/569264894.db2.gz NUEJJMZWGUFETC-UHFFFAOYSA-N -1 0 400.460 2.539 50 0 HFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002091416 569280335 /nfs/dbraw/zinc/28/03/35/569280335.db2.gz PVLOUJCJHGPYTH-QUJCMNEKSA-N -1 0 401.459 2.973 50 0 biogenic HFAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2oc1=O ZINC000002092013 569280573 /nfs/dbraw/zinc/28/05/73/569280573.db2.gz POMATNVBANMBGM-BEFAXECRSA-N -1 0 409.438 2.989 50 0 biogenic HFAARM CC[C@H](C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002103661 569281729 /nfs/dbraw/zinc/28/17/29/569281729.db2.gz BFGSOHGJARDVHZ-BUXKBTBVSA-N -1 0 401.459 2.975 50 0 biogenic HFAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-])ccc12 ZINC000002121336 569285498 /nfs/dbraw/zinc/28/54/98/569285498.db2.gz MKORPNYEWKCLCO-WBMJQRKESA-N -1 0 407.488 2.835 50 0 biogenic HFAARM C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002147048 569289736 /nfs/dbraw/zinc/28/97/36/569289736.db2.gz WURFFGLJARPZAG-RBZFPXEDSA-N -1 0 407.422 2.991 50 0 biogenic HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(F)cc1F ZINC000002686771 569322192 /nfs/dbraw/zinc/32/21/92/569322192.db2.gz KQCNUFLINZLVFO-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM CSCC[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002275201 569327730 /nfs/dbraw/zinc/32/77/30/569327730.db2.gz QBEMGDFNCGVUTQ-GFWHJHDHSA-N -1 0 416.474 2.919 50 0 HFAARM CCOc1ccc(NC(=O)CSc2c(C)nn(-c3nnc(C)c(=O)[n-]3)c2C)cc1 ZINC000027756652 569393259 /nfs/dbraw/zinc/39/32/59/569393259.db2.gz XOXHVZHPTLNKSB-UHFFFAOYSA-N -1 0 414.491 2.818 50 0 HFAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)OCCO2 ZINC000013090194 569408837 /nfs/dbraw/zinc/40/88/37/569408837.db2.gz VBDNWADPEUXWMT-UHFFFAOYSA-N -1 0 414.233 2.719 50 0 HFAARM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1OC ZINC000079021061 569424352 /nfs/dbraw/zinc/42/43/52/569424352.db2.gz SMLHXOREVHZGRK-UHFFFAOYSA-N -1 0 413.253 2.538 50 0 HFAARM O=C1COc2cc(S(=O)(=O)[N-]c3ccc(Cl)cn3)c(Br)cc2N1 ZINC000079061526 569426256 /nfs/dbraw/zinc/42/62/56/569426256.db2.gz YBOFIWAAFHSDTE-UHFFFAOYSA-N -1 0 418.656 2.629 50 0 HFAARM CCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000008840375 571123462 /nfs/dbraw/zinc/12/34/62/571123462.db2.gz WUCZKPHNMHOHOA-UHFFFAOYSA-N -1 0 420.965 2.910 50 0 HFAARM O=C([O-])CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009593983 571272019 /nfs/dbraw/zinc/27/20/19/571272019.db2.gz JQVDUNMBFUKYRO-UHFFFAOYSA-N -1 0 416.927 2.889 50 0 HFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)s1 ZINC000009650573 571276719 /nfs/dbraw/zinc/27/67/19/571276719.db2.gz WDWBBTKMMGDPCZ-UHFFFAOYSA-N -1 0 423.541 2.972 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(F)c(Cl)c1 ZINC000009674844 571278857 /nfs/dbraw/zinc/27/88/57/571278857.db2.gz IXTXTGSOQDZESY-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cc(F)ccc1F ZINC000009674571 571278882 /nfs/dbraw/zinc/27/88/82/571278882.db2.gz RNOLZPHIRDYQBX-CVEARBPZSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009963730 571293038 /nfs/dbraw/zinc/29/30/38/571293038.db2.gz BETCJSXMULWSSI-QGZVFWFLSA-N -1 0 424.438 2.518 50 0 HFAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cccs1 ZINC000005144771 132303165 /nfs/dbraw/zinc/30/31/65/132303165.db2.gz MYDYPLXNUBHZFH-UHFFFAOYSA-N -1 0 402.501 2.843 50 0 HFAARM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000012521909 132361554 /nfs/dbraw/zinc/36/15/54/132361554.db2.gz QNOBBKKWAJGECF-UHFFFAOYSA-N -1 0 403.866 2.593 50 0 HFAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)C1 ZINC000239175844 524242892 /nfs/dbraw/zinc/24/28/92/524242892.db2.gz QSYCNTMPHIJYFN-FHLIZLRMSA-N -1 0 406.504 2.713 50 0 HFAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(C)(=O)=O)C[C@@H]2C)c1 ZINC000032971165 524560095 /nfs/dbraw/zinc/56/00/95/524560095.db2.gz QCCLSJLSUNURSC-HNNXBMFYSA-N -1 0 403.504 2.780 50 0 HFAARM Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)c(Cl)c1 ZINC000032081378 525302380 /nfs/dbraw/zinc/30/23/80/525302380.db2.gz VTLLNFAJZCHNTC-GFCCVEGCSA-N -1 0 408.863 2.887 50 0 HFAARM Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)c(Cl)c1 ZINC000032081376 525303102 /nfs/dbraw/zinc/30/31/02/525303102.db2.gz VTLLNFAJZCHNTC-LBPRGKRZSA-N -1 0 408.863 2.887 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc2c(c1)OCO2 ZINC000000799299 557083980 /nfs/dbraw/zinc/08/39/80/557083980.db2.gz BCZHMJMDEQHEOM-UHFFFAOYSA-N -1 0 403.441 2.925 50 0 HFAARM COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1C(=O)[O-] ZINC000000814811 557089315 /nfs/dbraw/zinc/08/93/15/557089315.db2.gz WTWWXVRCQBIQPN-SFHVURJKSA-N -1 0 405.414 2.913 50 0 HFAARM COc1cc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc(OC)c1OC ZINC000001160099 557217533 /nfs/dbraw/zinc/21/75/33/557217533.db2.gz QPEIUBMZZVOJMH-UHFFFAOYSA-N -1 0 404.444 2.846 50 0 HFAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001160005 557217543 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558945967 /nfs/dbraw/zinc/94/59/67/558945967.db2.gz PAHFOVXEMSPVKP-UHFFFAOYSA-N -1 0 406.439 2.928 50 0 HFAARM COc1cc([C@@H](C2=C([O-])COC2=O)c2cc3c(cc2O)OCO3)cc(OC)c1OC ZINC000100695806 559137948 /nfs/dbraw/zinc/13/79/48/559137948.db2.gz YJVHSWXCBZHYQR-GOSISDBHSA-N -1 0 416.382 2.648 50 0 HFAARM COC(=O)C[C@@H](c1ccc(O)cc1)c1c(=O)nc2ccc(Br)cn2c1[O-] ZINC000205960044 559186892 /nfs/dbraw/zinc/18/68/92/559186892.db2.gz VLUXGMQTNPGKRA-ZDUSSCGKSA-N -1 0 419.231 2.563 50 0 HFAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc(F)cc1F ZINC000004853640 559192001 /nfs/dbraw/zinc/19/20/01/559192001.db2.gz BRCZIXQHYHQXMQ-UHFFFAOYSA-N -1 0 401.391 2.946 50 0 HFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000005007851 559226726 /nfs/dbraw/zinc/22/67/26/559226726.db2.gz AJAPOZLDDRRELC-ZAQQZEBGSA-N -1 0 404.422 2.863 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc4nncn4n3)cc2)c(OC)c1 ZINC000005150816 559253726 /nfs/dbraw/zinc/25/37/26/559253726.db2.gz WEYQQCOZRZWPJT-UHFFFAOYSA-N -1 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ZINC000049550619 568451951 /nfs/dbraw/zinc/45/19/51/568451951.db2.gz MTGMGWWHXBQWFD-UHFFFAOYSA-N -1 0 401.438 2.591 50 0 HFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1c(=O)sc2ccccc21 ZINC000217758521 568473771 /nfs/dbraw/zinc/47/37/71/568473771.db2.gz NYVNTMSXKLAYRO-MRXNPFEDSA-N -1 0 409.467 2.747 50 0 biogenic HFAARM C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000020272578 568596385 /nfs/dbraw/zinc/59/63/85/568596385.db2.gz RDWHUHHBILGMCN-JTQLQIEISA-N -1 0 422.846 2.603 50 0 HFAARM CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000095424998 568607743 /nfs/dbraw/zinc/60/77/43/568607743.db2.gz CQMBQYWQKZMMCA-UHFFFAOYSA-N -1 0 414.418 2.508 50 0 HFAARM O=C(Nc1cccc(Cl)c1)c1nc2c(nnn2Cc2ccc3c(c2)OCO3)c(=O)[n-]1 ZINC000020807544 568644028 /nfs/dbraw/zinc/64/40/28/568644028.db2.gz YOVYNDPBECKPIK-UHFFFAOYSA-N -1 0 424.804 2.610 50 0 HFAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(Br)cc3)c2=O)s1 ZINC000020922090 568651080 /nfs/dbraw/zinc/65/10/80/568651080.db2.gz HXFXQIKLDFSZCS-UHFFFAOYSA-N -1 0 414.306 2.936 50 0 HFAARM O=C(Nc1ccc2c(c1)OCO2)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361221 568739142 /nfs/dbraw/zinc/73/91/42/568739142.db2.gz JHKJIQBKIANWCU-UHFFFAOYSA-N -1 0 420.834 2.845 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1C ZINC000096458326 568753983 /nfs/dbraw/zinc/75/39/83/568753983.db2.gz HVGABEPOCFFIAR-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@@]34C(=O)[O-])C1=CC[C@H]2C1=CC(=O)OC1 ZINC000254481796 568756384 /nfs/dbraw/zinc/75/63/84/568756384.db2.gz MXFWAFDRZXOGBT-AWKUXTDOSA-N -1 0 402.487 2.589 50 0 HFAARM Cc1c(N(C(=O)CCC(=O)[O-])C(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000096562288 568760217 /nfs/dbraw/zinc/76/02/17/568760217.db2.gz JJASHIINNNTWEQ-UHFFFAOYSA-N -1 0 421.453 2.831 50 0 HFAARM CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578127 568770035 /nfs/dbraw/zinc/77/00/35/568770035.db2.gz UMRVLEMXRKIHRV-QGZVFWFLSA-N -1 0 401.536 2.794 50 0 HFAARM CCOc1ccc(Cn2cc([N-]S(=O)(=O)c3cnn(CC)c3)cn2)cc1OCC ZINC000002804777 568811601 /nfs/dbraw/zinc/81/16/01/568811601.db2.gz IJNHWMGDBDSDNI-UHFFFAOYSA-N -1 0 419.507 2.746 50 0 HFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1 ZINC000002949597 568820698 /nfs/dbraw/zinc/82/06/98/568820698.db2.gz YCIJGUHRLATMSH-GDLUXTLDSA-N -1 0 404.422 2.863 50 0 HFAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)c(Br)c1 ZINC000012521084 568841547 /nfs/dbraw/zinc/84/15/47/568841547.db2.gz NQYJDCFJFHPYAG-UHFFFAOYSA-N -1 0 416.297 2.777 50 0 HFAARM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000012520957 568841558 /nfs/dbraw/zinc/84/15/58/568841558.db2.gz ZSIYQGWZOZHNJT-UHFFFAOYSA-N -1 0 405.295 2.621 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000012521440 568841904 /nfs/dbraw/zinc/84/19/04/568841904.db2.gz VGSCDEIIOFAFAI-HUUCEWRRSA-N -1 0 404.488 2.745 50 0 HFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Sc2nncn2C)cc1 ZINC000012650318 568906563 /nfs/dbraw/zinc/90/65/63/568906563.db2.gz SRYFHLBRSOMULI-UHFFFAOYSA-N -1 0 410.502 2.615 50 0 HFAARM O=C([N-]C(=O)c1ccc(C(F)(F)F)cc1)OCCN1C(=O)c2ccccc2C1=O ZINC000001422320 568938512 /nfs/dbraw/zinc/93/85/12/568938512.db2.gz ZOALQSVXNKXRMJ-UHFFFAOYSA-N -1 0 406.316 2.868 50 0 HFAARM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000008314853 568989814 /nfs/dbraw/zinc/98/98/14/568989814.db2.gz USKVFNSGOBLTBT-LEWJYISDSA-N -1 0 407.470 2.856 50 0 HFAARM O=C([O-])[C@@H]1[C@H]2C[C@H]3[C@@H]1C(=O)Oc1ccccc1[C@@H]1c4sc(=O)[nH]c4S[C@@H]2[C@@H]31 ZINC000006062494 568991056 /nfs/dbraw/zinc/99/10/56/568991056.db2.gz NDQHCUSCDKVEEN-JFGYVOOSSA-N -1 0 401.465 2.545 50 0 HFAARM COc1ccccc1-c1cn[n-]c(=NNC=C2C(C)=NN(c3ccccc3)C2=O)n1 ZINC000005657147 569024406 /nfs/dbraw/zinc/02/44/06/569024406.db2.gz MQPKAKQRHBOYSU-SFQUDFHCSA-N -1 0 401.430 2.770 50 0 HFAARM COc1ccc2[nH]cc(CCNC(C)=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000575443847 569028554 /nfs/dbraw/zinc/02/85/54/569028554.db2.gz MUPCXUHHNRMBOF-ZHZULCJRSA-N -1 0 418.453 2.866 50 0 HFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3O)cc2)s1 ZINC000001792721 569053214 /nfs/dbraw/zinc/05/32/14/569053214.db2.gz DHHVEFUIDVNKNB-UHFFFAOYSA-N -1 0 404.473 2.859 50 0 HFAARM O=C([O-])[C@@H](c1c[nH]c2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc21)[NH+]1CCCC1 ZINC000245254866 569055459 /nfs/dbraw/zinc/05/54/59/569055459.db2.gz CVVAMRVBJQYEBK-FRQCXROJSA-N -1 0 411.458 2.995 50 0 HFAARM COc1cc(C(=O)[N-]S(C)(=O)=O)ccc1OCc1ccc(Br)s1 ZINC000089429246 569060353 /nfs/dbraw/zinc/06/03/53/569060353.db2.gz VOUOSIYVZFCIFK-UHFFFAOYSA-N -1 0 420.306 2.788 50 0 HFAARM COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)ccc1NC(C)=O ZINC000006503308 569061671 /nfs/dbraw/zinc/06/16/71/569061671.db2.gz UBFRYGXFUGFYKS-UHFFFAOYSA-N -1 0 417.487 2.690 50 0 HFAARM CSC[C@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624232 569075523 /nfs/dbraw/zinc/07/55/23/569075523.db2.gz BGQCQCMMQJZJMY-ZDUSSCGKSA-N -1 0 403.456 2.939 50 0 biogenic HFAARM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006800782 569128823 /nfs/dbraw/zinc/12/88/23/569128823.db2.gz CSNIJKIMWNVYOM-UHFFFAOYSA-N -1 0 408.483 2.947 50 0 HFAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)c1 ZINC000065194134 569192694 /nfs/dbraw/zinc/19/26/94/569192694.db2.gz BKGUJRPCUBCZLG-UHFFFAOYSA-N -1 0 404.448 2.588 50 0 HFAARM CCn1nccc1C(=O)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260900 569209685 /nfs/dbraw/zinc/20/96/85/569209685.db2.gz JTFRSZGSMBLYGY-UHFFFAOYSA-N -1 0 422.876 2.758 50 0 HFAARM COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000013131122 569211362 /nfs/dbraw/zinc/21/13/62/569211362.db2.gz APKGCPYUHTYUJG-OZVIIMIRSA-N -1 0 404.492 2.712 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCCc1ccccc1)c2=O ZINC000016942325 569267955 /nfs/dbraw/zinc/26/79/55/569267955.db2.gz VCQGAZYZXZOKKY-UHFFFAOYSA-N -1 0 411.483 2.595 50 0 HFAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002100067 569281235 /nfs/dbraw/zinc/28/12/35/569281235.db2.gz GCKVKGROCJJERY-IBGZPJMESA-N -1 0 420.421 2.643 50 0 biogenic HFAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000002103446 569281584 /nfs/dbraw/zinc/28/15/84/569281584.db2.gz HTNHYGWBWDMNGI-QGZVFWFLSA-N -1 0 415.829 2.815 50 0 biogenic HFAARM CSCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002140480 569289354 /nfs/dbraw/zinc/28/93/54/569289354.db2.gz OMYZNZGATNBXLS-INIZCTEOSA-N -1 0 419.499 2.682 50 0 biogenic HFAARM COc1cc(C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)ccc1OCc1ccccc1 ZINC000263625808 569317234 /nfs/dbraw/zinc/31/72/34/569317234.db2.gz PEJGFCSFZWSINY-QGZVFWFLSA-N -1 0 413.455 2.670 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCNc2ncccc2C(F)(F)F)cc1 ZINC000004299410 569356895 /nfs/dbraw/zinc/35/68/95/569356895.db2.gz GMQGRGZQJYCBNM-UHFFFAOYSA-N -1 0 402.398 2.509 50 0 HFAARM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000328595934 569416035 /nfs/dbraw/zinc/41/60/35/569416035.db2.gz KXSCCHTWADFROD-SNVBAGLBSA-N -1 0 405.297 2.634 50 0 HFAARM COc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@@](O)(C(F)(F)F)C2)c(OC)c1 ZINC000008753834 571112686 /nfs/dbraw/zinc/11/26/86/571112686.db2.gz AADHNFIRCRYOGZ-HNNXBMFYSA-N -1 0 417.365 2.724 50 0 HFAARM O=C([O-])c1ccc2c(=O)[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 ZINC000009128941 571227277 /nfs/dbraw/zinc/22/72/77/571227277.db2.gz IQLUBPNEUXGCEP-UHFFFAOYSA-N -1 0 424.394 2.692 50 0 HFAARM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000009430058 571258120 /nfs/dbraw/zinc/25/81/20/571258120.db2.gz AXRUTVOTENRLOL-VIZOYTHASA-N -1 0 416.386 2.905 50 0 HFAARM Cc1ccc(-c2nc3c(c(SCC(=O)N(C)CC(=O)[O-])n2)COC(C)(C)C3)cc1 ZINC000009482706 571262136 /nfs/dbraw/zinc/26/21/36/571262136.db2.gz KPOQWRKWJSTRHN-UHFFFAOYSA-N -1 0 415.515 2.938 50 0 HFAARM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)s1 ZINC000009503419 571263577 /nfs/dbraw/zinc/26/35/77/571263577.db2.gz ZIBLDFPDZGGYNZ-UHFFFAOYSA-N -1 0 417.443 2.879 50 0 HFAARM CCOC(=O)c1ccccc1NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000009530177 571266695 /nfs/dbraw/zinc/26/66/95/571266695.db2.gz ONDKGHICNKGNEQ-UHFFFAOYSA-N -1 0 419.484 2.705 50 0 HFAARM CCN(CC)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000009590964 571271855 /nfs/dbraw/zinc/27/18/55/571271855.db2.gz ZWPHDZARRBWTGH-UHFFFAOYSA-N -1 0 422.450 2.935 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccccc1F ZINC000009675357 571278859 /nfs/dbraw/zinc/27/88/59/571278859.db2.gz QOMFXOYDTLUOOS-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM CC(C)(C)NC(=O)CNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000009918322 571290208 /nfs/dbraw/zinc/29/02/08/571290208.db2.gz FLRGNXKHDKMFBD-UHFFFAOYSA-N -1 0 404.536 2.650 50 0 HFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1C(F)(F)F ZINC000010518241 571304160 /nfs/dbraw/zinc/30/41/60/571304160.db2.gz LADCODATRCMQOC-UHFFFAOYSA-N -1 0 420.434 2.947 50 0 HFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005135957 132302153 /nfs/dbraw/zinc/30/21/53/132302153.db2.gz AOJCRJKQKVWLCZ-UHFFFAOYSA-N -1 0 410.517 2.734 50 0 HFAARM Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000007785624 132325857 /nfs/dbraw/zinc/32/58/57/132325857.db2.gz MOWSHKZBAHSYFZ-UHFFFAOYSA-N -1 0 412.870 2.997 50 0 HFAARM Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000032081221 524900937 /nfs/dbraw/zinc/90/09/37/524900937.db2.gz WDSCRKPIFCZRBQ-GFCCVEGCSA-N -1 0 408.863 2.887 50 0 HFAARM Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1Cl ZINC000032081100 525302822 /nfs/dbraw/zinc/30/28/22/525302822.db2.gz YAMMZEZIVJGEEA-LBPRGKRZSA-N -1 0 408.863 2.887 50 0 HFAARM Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)cc1 ZINC000032096333 525544522 /nfs/dbraw/zinc/54/45/22/525544522.db2.gz PBEGVNVMOKZKAV-HXUWFJFHSA-N -1 0 413.499 2.609 50 0 HFAARM O=C(Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268420 527223874 /nfs/dbraw/zinc/22/38/74/527223874.db2.gz YIWCPAGIHRMRSY-UHFFFAOYSA-N -1 0 402.255 2.812 50 0 HFAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)s2)n[nH]1 ZINC000020574770 527483473 /nfs/dbraw/zinc/48/34/73/527483473.db2.gz YDLMZHFRVWOJKZ-UHFFFAOYSA-N -1 0 400.441 2.954 50 0 HFAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000009116258 557017759 /nfs/dbraw/zinc/01/77/59/557017759.db2.gz IWXQBJXQRSVLEU-UHFFFAOYSA-N -1 0 422.466 2.587 50 0 HFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000000888784 557111707 /nfs/dbraw/zinc/11/17/07/557111707.db2.gz FQNQQEAPCNKDMD-UHFFFAOYSA-N -1 0 418.500 2.695 50 0 HFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 ZINC000000892640 557112583 /nfs/dbraw/zinc/11/25/83/557112583.db2.gz VFSIYISBDRTWGH-HNNXBMFYSA-N -1 0 412.471 2.992 50 0 HFAARM CC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022627482 557113475 /nfs/dbraw/zinc/11/34/75/557113475.db2.gz VHNGXVDRRWHORR-OAHLLOKOSA-N -1 0 405.911 2.712 50 0 HFAARM O=S(=O)([N-]c1ccc2c(c1)CS(=O)(=O)C2)c1ccc(Br)s1 ZINC000001040336 557152943 /nfs/dbraw/zinc/15/29/43/557152943.db2.gz JYINECCFZJYJQK-UHFFFAOYSA-N -1 0 408.320 2.740 50 0 HFAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000001141783 557204718 /nfs/dbraw/zinc/20/47/18/557204718.db2.gz IQHNMKDLSRSMTI-UHFFFAOYSA-N -1 0 411.391 2.607 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)nc(C)n1 ZINC000001259641 557252193 /nfs/dbraw/zinc/25/21/93/557252193.db2.gz VKLBCEFCILAEHW-UHFFFAOYSA-N -1 0 412.471 2.912 50 0 HFAARM COC(=O)c1cccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000002227297 557328797 /nfs/dbraw/zinc/32/87/97/557328797.db2.gz ODIVJHJQHOFFRK-OAHLLOKOSA-N -1 0 400.412 2.805 50 0 HFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)n1 ZINC000002888678 557422912 /nfs/dbraw/zinc/42/29/12/557422912.db2.gz YKENPPTUXYFWCQ-UHFFFAOYSA-N -1 0 421.548 2.753 50 0 HFAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)c1 ZINC000034765183 557461832 /nfs/dbraw/zinc/46/18/32/557461832.db2.gz HDLBXBMLEQIMEM-CQSZACIVSA-N -1 0 402.520 2.930 50 0 HFAARM CC(C)COc1cccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)c1 ZINC000034765618 557462091 /nfs/dbraw/zinc/46/20/91/557462091.db2.gz PZEODGHKDIHSGZ-UHFFFAOYSA-N -1 0 407.474 2.923 50 0 HFAARM CC(C)COc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)c1 ZINC000034765650 557462226 /nfs/dbraw/zinc/46/22/26/557462226.db2.gz OJCCSJGVXXOXJS-UHFFFAOYSA-N -1 0 402.520 2.787 50 0 HFAARM CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3cccc(Cl)c3)[n-]c2=O)C1 ZINC000034767919 557462691 /nfs/dbraw/zinc/46/26/91/557462691.db2.gz STLNDGUTZLHDFT-CQSZACIVSA-N -1 0 418.881 2.632 50 0 HFAARM O=C([O-])C1CCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)CC1 ZINC000003320304 557472812 /nfs/dbraw/zinc/47/28/12/557472812.db2.gz JVVTZHFXEOSACJ-UHFFFAOYSA-N -1 0 412.471 2.943 50 0 HFAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000004818906 557601976 /nfs/dbraw/zinc/60/19/76/557601976.db2.gz FFCAWQQEPFXANX-MSOLQXFVSA-N -1 0 400.475 2.507 50 0 HFAARM COc1cc(C=C2OC(=S)[N-]C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000006590790 557709317 /nfs/dbraw/zinc/70/93/17/557709317.db2.gz XMEMZRCHCDWCKR-SXGWCWSVSA-N -1 0 402.403 2.624 50 0 HFAARM CCn1cc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C(=O)NCc2ccco2)n1 ZINC000002794570 557765109 /nfs/dbraw/zinc/76/51/09/557765109.db2.gz SDOHKMNVZKTYSX-UHFFFAOYSA-N -1 0 402.476 2.844 50 0 HFAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022784221 557820082 /nfs/dbraw/zinc/82/00/82/557820082.db2.gz ULTONSFAHRKFSZ-CQSZACIVSA-N -1 0 422.352 2.904 50 0 HFAARM COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000020721981 558403131 /nfs/dbraw/zinc/40/31/31/558403131.db2.gz QIFFVENFVVHJJB-QGZVFWFLSA-N -1 0 406.398 2.779 50 0 HFAARM COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000020721983 558403212 /nfs/dbraw/zinc/40/32/12/558403212.db2.gz QIFFVENFVVHJJB-KRWDZBQOSA-N -1 0 406.398 2.779 50 0 HFAARM CCOC(=O)C1=C(NS(=O)(=O)c2c(C)noc2C)[N-]c2ccccc2N=C1CC ZINC000013073669 558511900 /nfs/dbraw/zinc/51/19/00/558511900.db2.gz OEJOKWULWJDDHE-UHFFFAOYSA-N -1 0 418.475 2.953 50 0 HFAARM CCOc1ccc(OCCCC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC000013180433 558525275 /nfs/dbraw/zinc/52/52/75/558525275.db2.gz YRVZNMUIGONMLA-UHFFFAOYSA-N -1 0 400.431 2.697 50 0 HFAARM C[C@](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000013250589 558527944 /nfs/dbraw/zinc/52/79/44/558527944.db2.gz PZSQQKPGGOGYAM-OAQYLSRUSA-N -1 0 416.499 2.842 50 0 HFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccco2)o1 ZINC000013415702 558532119 /nfs/dbraw/zinc/53/21/19/558532119.db2.gz TXDSMGATPQGQJU-AWEZNQCLSA-N -1 0 412.427 2.715 50 0 HFAARM O=C(c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)N1CCOCC1 ZINC000013732807 558587336 /nfs/dbraw/zinc/58/73/36/558587336.db2.gz WDCXJFQQJNZYFZ-UHFFFAOYSA-N -1 0 403.485 2.570 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1 ZINC000004483278 558602885 /nfs/dbraw/zinc/60/28/85/558602885.db2.gz ZNZLNAPQBCBEJM-QZTJIDSGSA-N -1 0 411.849 2.834 50 0 HFAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028833067 558705563 /nfs/dbraw/zinc/70/55/63/558705563.db2.gz NWDHFJNNPSVHAE-UHFFFAOYSA-N -1 0 411.439 2.906 50 0 HFAARM O=C([O-])/C=C\C(=O)Nc1ccccc1SC[C@@H](O)Cn1ccc(C(F)(F)F)n1 ZINC000033382239 558768302 /nfs/dbraw/zinc/76/83/02/558768302.db2.gz QIVKDUUHARQRMK-GZTOBOFZSA-N -1 0 415.393 2.634 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1F ZINC000016622210 558796962 /nfs/dbraw/zinc/79/69/62/558796962.db2.gz WREDLOBRCKQHDZ-UHFFFAOYSA-N -1 0 415.446 2.960 50 0 HFAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000017082420 558814558 /nfs/dbraw/zinc/81/45/58/558814558.db2.gz RBTGLBVYSJLRQL-AWEZNQCLSA-N -1 0 402.472 2.877 50 0 HFAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017088030 558816877 /nfs/dbraw/zinc/81/68/77/558816877.db2.gz HQYILQMNTJOLHX-GFCCVEGCSA-N -1 0 408.520 2.975 50 0 HFAARM O=C(Cn1c([O-])nc2c(-c3ccc(F)cc3)c[nH]c2c1=O)NCCc1ccccc1 ZINC000033038030 558862592 /nfs/dbraw/zinc/86/25/92/558862592.db2.gz YCSNBGUCPRXWGT-UHFFFAOYSA-N -1 0 406.417 2.595 50 0 HFAARM O=C([O-])c1cc(-n2ncc3cccnc32)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071754041 558909308 /nfs/dbraw/zinc/90/93/08/558909308.db2.gz ABZNTALFOFZBSZ-UHFFFAOYSA-N -1 0 400.460 2.683 50 0 HFAARM CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C=O)C[C@H]1C(=O)[O-] ZINC000095080815 559079300 /nfs/dbraw/zinc/07/93/00/559079300.db2.gz YWLVUNCFADALOU-ZDUSSCGKSA-N -1 0 413.268 2.772 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000100033113 559128868 /nfs/dbraw/zinc/12/88/68/559128868.db2.gz NOLIHSGPUZRYLM-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl ZINC000100033362 559128914 /nfs/dbraw/zinc/12/89/14/559128914.db2.gz LIRIGRJSHBWVEM-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1 ZINC000100036699 559129028 /nfs/dbraw/zinc/12/90/28/559129028.db2.gz GVQCTACUCUEQRH-VQTJNVASSA-N -1 0 405.458 2.798 50 0 HFAARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205953543 559186859 /nfs/dbraw/zinc/18/68/59/559186859.db2.gz QCLQDKOTTFFKNM-CYBMUJFWSA-N -1 0 418.833 2.766 50 0 HFAARM COc1cccc(CCNC(=O)c2csc([N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000011693228 559187342 /nfs/dbraw/zinc/18/73/42/559187342.db2.gz PFCCLBHARYGQAS-UHFFFAOYSA-N -1 0 423.541 2.987 50 0 HFAARM CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-] ZINC000004936451 559210140 /nfs/dbraw/zinc/21/01/40/559210140.db2.gz MDMNUDSDIDLEJT-UHFFFAOYSA-N -1 0 416.499 2.651 50 0 HFAARM COc1cc(OC)c2c(C)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(=O)oc2c1 ZINC000238950395 559271664 /nfs/dbraw/zinc/27/16/64/559271664.db2.gz XWXNYMBCNPXKCH-HDJSIYSDSA-N -1 0 417.458 2.668 50 0 biogenic HFAARM COc1ccc(N2N=C(C(C)=O)C3=C([O-])N(c4cccc(Cl)c4C)C(=O)[C@@H]32)cc1 ZINC000005180602 559289636 /nfs/dbraw/zinc/28/96/36/559289636.db2.gz NBMUROVNAAZXJE-IEBWSBKVSA-N -1 0 411.845 2.980 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@H]2O)ccc1C ZINC000078933498 560541026 /nfs/dbraw/zinc/54/10/26/560541026.db2.gz DMDBXIKAZZFOTD-SJLPKXTDSA-N -1 0 418.515 2.695 50 0 HFAARM COCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000005557598 560614133 /nfs/dbraw/zinc/61/41/33/560614133.db2.gz CYTYPFNVWZUELI-UHFFFAOYSA-N -1 0 402.394 2.882 50 0 HFAARM Nc1nc(O)c([C@@]2(O)c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)s1 ZINC000017878906 560729784 /nfs/dbraw/zinc/72/97/84/560729784.db2.gz UINSKUUFZXNLBL-KSSFIOAISA-N -1 0 422.293 2.685 50 0 HFAARM COc1ccccc1CCNC(=O)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693225 560773579 /nfs/dbraw/zinc/77/35/79/560773579.db2.gz GWGNJJUPZYUCJW-UHFFFAOYSA-N -1 0 423.541 2.987 50 0 HFAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000101086538 560775359 /nfs/dbraw/zinc/77/53/59/560775359.db2.gz WUAQQLKZLBTOKE-VHEBQXMUSA-N -1 0 415.490 2.869 50 0 HFAARM COc1ccc(-c2nnnn2C)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000005681468 560781383 /nfs/dbraw/zinc/78/13/83/560781383.db2.gz BXFRUAANHHXMAB-UHFFFAOYSA-N -1 0 413.381 2.705 50 0 HFAARM COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101155916 560787127 /nfs/dbraw/zinc/78/71/27/560787127.db2.gz DISLAVVAWGEEJL-WMZOPIPTSA-N -1 0 411.845 2.864 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000101165767 560787301 /nfs/dbraw/zinc/78/73/01/560787301.db2.gz SMEWXXBDLAMFBF-ZWKOTPCHSA-N -1 0 411.849 2.834 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1C ZINC000101169276 560787733 /nfs/dbraw/zinc/78/77/33/560787733.db2.gz DEAMWQZXRBJZPT-ZWKOTPCHSA-N -1 0 413.384 2.514 50 0 HFAARM Cc1ccc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000101169445 560787749 /nfs/dbraw/zinc/78/77/49/560787749.db2.gz GHDAKEGSCLZKDM-PMACEKPBSA-N -1 0 405.458 2.852 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000101389420 560794006 /nfs/dbraw/zinc/79/40/06/560794006.db2.gz ZVLFEADIGQOIOX-PMACEKPBSA-N -1 0 405.458 2.798 50 0 HFAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101417010 560794788 /nfs/dbraw/zinc/79/47/88/560794788.db2.gz XPAZJUQUPZABIZ-UXHICEINSA-N -1 0 421.457 2.751 50 0 HFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@H]1c1cccs1 ZINC000101456565 560795475 /nfs/dbraw/zinc/79/54/75/560795475.db2.gz PNKOQWISAVJFRN-INIZCTEOSA-N -1 0 424.482 2.607 50 0 HFAARM CCC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000101494932 560796099 /nfs/dbraw/zinc/79/60/99/560796099.db2.gz AZVLYBHVAWOJJX-CYBMUJFWSA-N -1 0 406.895 2.900 50 0 HFAARM CCOc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=S)n(C)c2=O)=NN1C(=O)CC ZINC000101495273 560796380 /nfs/dbraw/zinc/79/63/80/560796380.db2.gz FZTFRAHSPGEXSF-ZDUSSCGKSA-N -1 0 402.476 2.635 50 0 HFAARM COc1ccc(CNC(=O)Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1 ZINC000101497638 560796473 /nfs/dbraw/zinc/79/64/73/560796473.db2.gz KWCHSYPOEMZWTD-UHFFFAOYSA-N -1 0 424.482 2.874 50 0 HFAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1ccccc1 ZINC000101764941 560799468 /nfs/dbraw/zinc/79/94/68/560799468.db2.gz CWIHLKPURHDYPZ-QGZVFWFLSA-N -1 0 410.474 2.835 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(Cl)cc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893851 560804559 /nfs/dbraw/zinc/80/45/59/560804559.db2.gz SYCNNYUQJCCCED-HZPDHXFCSA-N -1 0 408.805 2.883 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000101169603 560851180 /nfs/dbraw/zinc/85/11/80/560851180.db2.gz NRYCTGXFPDVRTL-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1OC ZINC000101170650 560851231 /nfs/dbraw/zinc/85/12/31/560851231.db2.gz ITXOCTCREZULFM-IRXDYDNUSA-N -1 0 400.822 2.851 50 0 HFAARM CCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 ZINC000085808625 568442217 /nfs/dbraw/zinc/44/22/17/568442217.db2.gz OMGZPSJFMGWXIM-UHFFFAOYSA-N -1 0 415.475 2.664 50 0 HFAARM C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000020272576 568596287 /nfs/dbraw/zinc/59/62/87/568596287.db2.gz RDWHUHHBILGMCN-SNVBAGLBSA-N -1 0 422.846 2.603 50 0 HFAARM CS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3ccc(C(=O)[O-])n3)cc2)ccc1Cl ZINC000095425268 568607920 /nfs/dbraw/zinc/60/79/20/568607920.db2.gz NBIDTLMDYXECEB-UHFFFAOYSA-N -1 0 419.846 2.880 50 0 HFAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000095425260 568607964 /nfs/dbraw/zinc/60/79/64/568607964.db2.gz UJNBUKYVJVOKPO-UHFFFAOYSA-N -1 0 424.500 2.557 50 0 HFAARM C[C@H](c1ccccc1)n1c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000020757547 568641906 /nfs/dbraw/zinc/64/19/06/568641906.db2.gz NVQXNLLUIAOHIL-SPLOXXLWSA-N -1 0 416.481 2.910 50 0 biogenic HFAARM Cc1cccc([C@H](NC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(=O)[O-])c1C ZINC000225486711 568642026 /nfs/dbraw/zinc/64/20/26/568642026.db2.gz LJVOHGMCOSHAFZ-KRWDZBQOSA-N -1 0 405.476 2.501 50 0 HFAARM CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCCCC[C@H]3C(=O)[O-])cc2c1C ZINC000225617798 568657589 /nfs/dbraw/zinc/65/75/89/568657589.db2.gz SYRXKJFLYALGJI-HNNXBMFYSA-N -1 0 409.460 2.936 50 0 HFAARM CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCCCC[C@@H]3C(=O)[O-])cc2c1C ZINC000225617770 568657733 /nfs/dbraw/zinc/65/77/33/568657733.db2.gz SYRXKJFLYALGJI-OAHLLOKOSA-N -1 0 409.460 2.936 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCCN2C)ccc1C ZINC000095956561 568669627 /nfs/dbraw/zinc/66/96/27/568669627.db2.gz CQMKIAHCYXRTQB-QGZVFWFLSA-N -1 0 403.504 2.837 50 0 HFAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000096025700 568686526 /nfs/dbraw/zinc/68/65/26/568686526.db2.gz LHNRWNABPQYGAL-UHFFFAOYSA-N -1 0 414.487 2.629 50 0 HFAARM COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])nc2ccc(Br)cn2c1=O ZINC000096115771 568695601 /nfs/dbraw/zinc/69/56/01/568695601.db2.gz KRVSDKIPCWKSCA-ZDUSSCGKSA-N -1 0 419.231 2.563 50 0 biogenic HFAARM COC(=O)C[C@@H](c1cccc2nccnc21)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096232724 568708273 /nfs/dbraw/zinc/70/82/73/568708273.db2.gz XRUVSJOMNDBQCF-ZDUSSCGKSA-N -1 0 410.817 2.692 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCC1=CCCCC1)c2=O ZINC000012415780 568717856 /nfs/dbraw/zinc/71/78/56/568717856.db2.gz VLDUDSFJMKGSMB-UHFFFAOYSA-N -1 0 401.488 2.852 50 0 HFAARM COc1ccccc1CNC(=O)c1cncc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000021638995 568727522 /nfs/dbraw/zinc/72/75/22/568727522.db2.gz GXAVTFTZKJBOIR-UHFFFAOYSA-N -1 0 415.446 2.960 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(C)c1 ZINC000096319862 568728251 /nfs/dbraw/zinc/72/82/51/568728251.db2.gz BQDMSBQEANHAGJ-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CCCc3ccccc32)c1OC ZINC000005795219 568734296 /nfs/dbraw/zinc/73/42/96/568734296.db2.gz ARYIBNXAHUGVGT-KTKRTIGZSA-N -1 0 403.456 2.943 50 0 HFAARM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1C ZINC000000942859 568753835 /nfs/dbraw/zinc/75/38/35/568753835.db2.gz WOJQBPMLGFPBMI-UHFFFAOYSA-N -1 0 412.471 2.912 50 0 HFAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccccc2OC)cc1 ZINC000086066739 568755253 /nfs/dbraw/zinc/75/52/53/568755253.db2.gz GIQOJUIISFFKJF-UHFFFAOYSA-N -1 0 419.441 2.590 50 0 HFAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])C1=CC[C@H]2C1=CC(=O)OC1 ZINC000254481797 568756322 /nfs/dbraw/zinc/75/63/22/568756322.db2.gz MXFWAFDRZXOGBT-FMYILANFSA-N -1 0 402.487 2.589 50 0 HFAARM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCN(C)CC2)cc1 ZINC000022577933 568770115 /nfs/dbraw/zinc/77/01/15/568770115.db2.gz VSPAEWGOOGCFFQ-QGZVFWFLSA-N -1 0 401.536 2.794 50 0 HFAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000005918367 568829380 /nfs/dbraw/zinc/82/93/80/568829380.db2.gz WGSXCWQPUHUUID-UHFFFAOYSA-N -1 0 418.471 2.820 50 0 HFAARM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)c1 ZINC000012544864 568850025 /nfs/dbraw/zinc/85/00/25/568850025.db2.gz PPBNXGDPHXNALB-UHFFFAOYSA-N -1 0 418.500 2.862 50 0 HFAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1 ZINC000230156734 568853088 /nfs/dbraw/zinc/85/30/88/568853088.db2.gz CZFOYYLZIKOPQH-AVRDEDQJSA-N -1 0 407.495 2.742 50 0 HFAARM C[C@@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000012551873 568853876 /nfs/dbraw/zinc/85/38/76/568853876.db2.gz ZODUUIARNBFQQK-CYBMUJFWSA-N -1 0 414.487 2.529 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C)cc3)c2)no1 ZINC000031241442 568920475 /nfs/dbraw/zinc/92/04/75/568920475.db2.gz KSHWEIMFJIXKOK-UHFFFAOYSA-N -1 0 415.471 2.901 50 0 HFAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004085286 568940120 /nfs/dbraw/zinc/94/01/20/568940120.db2.gz HQXVTDCBDLRLTQ-QKLQHJQFSA-N -1 0 410.495 2.847 50 0 biogenic HFAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000004204785 568951462 /nfs/dbraw/zinc/95/14/62/568951462.db2.gz NLTFNNXKOGTGNP-GUYCJALGSA-N -1 0 407.444 2.832 50 0 HFAARM CCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000007990200 568966753 /nfs/dbraw/zinc/96/67/53/568966753.db2.gz XUNZXMBZQVPTOP-MRXNPFEDSA-N -1 0 409.460 2.597 50 0 HFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)CCc1c(C)noc1C)CC2 ZINC000008156707 568978224 /nfs/dbraw/zinc/97/82/24/568978224.db2.gz VEYMFMSGBVNQQI-QGZVFWFLSA-N -1 0 402.447 2.842 50 0 HFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008195604 568982382 /nfs/dbraw/zinc/98/23/82/568982382.db2.gz VUXZTBQDAIQDFJ-UHFFFAOYSA-N -1 0 410.517 2.671 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000006086266 568998248 /nfs/dbraw/zinc/99/82/48/568998248.db2.gz FWKYHDYAUDHUTN-UHFFFAOYSA-N -1 0 406.460 2.676 50 0 HFAARM Cc1ccccc1NC(=O)COC(=O)CCCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015826618 569011584 /nfs/dbraw/zinc/01/15/84/569011584.db2.gz ZGEGPBDYISRGTE-UHFFFAOYSA-N -1 0 415.471 2.669 50 0 HFAARM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2ccccc2C)c(C(=O)OC)c1C ZINC000013007952 569049865 /nfs/dbraw/zinc/04/98/65/569049865.db2.gz NXWLNRVNKPMXBV-GFCCVEGCSA-N -1 0 411.501 2.978 50 0 HFAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013014338 569050733 /nfs/dbraw/zinc/05/07/33/569050733.db2.gz RPGOPXXRXDBMNQ-UHFFFAOYSA-N -1 0 402.900 2.954 50 0 HFAARM COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000001774961 569052522 /nfs/dbraw/zinc/05/25/22/569052522.db2.gz XEAPLEXBTQVGRY-UHFFFAOYSA-N -1 0 417.468 2.983 50 0 HFAARM O=C([O-])[C@H](NC(=O)Cc1ccccc1)[C@H](O)c1ccc(N=Cc2ccccc2O)cc1 ZINC000252639022 569061039 /nfs/dbraw/zinc/06/10/39/569061039.db2.gz YHIUHAZYYVUUBO-DHIUTWEWSA-N -1 0 418.449 2.988 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(Cl)cc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000064565329 569066979 /nfs/dbraw/zinc/06/69/79/569066979.db2.gz SYCNNYUQJCCCED-JKSUJKDBSA-N -1 0 408.805 2.883 50 0 HFAARM COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1O ZINC000004164666 569071063 /nfs/dbraw/zinc/07/10/63/569071063.db2.gz UYRFCBZILYXXIW-XEZPLFJOSA-N -1 0 416.377 2.566 50 0 HFAARM O=C(CCc1ccccc1)Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2)s1 ZINC000006817757 569138672 /nfs/dbraw/zinc/13/86/72/569138672.db2.gz HCGNWMMNCJYQKM-UHFFFAOYSA-N -1 0 402.501 2.588 50 0 HFAARM O=C([O-])[C@H](c1c[nH]c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc21)[NH+]1CCCC1 ZINC000036357326 569148789 /nfs/dbraw/zinc/14/87/89/569148789.db2.gz GIYLVYAWFBHSBT-KHYOSLBOSA-N -1 0 411.458 2.995 50 0 HFAARM O=C([O-])[C@H](c1c[nH]c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc21)[NH+]1CCCC1 ZINC000036357139 569148794 /nfs/dbraw/zinc/14/87/94/569148794.db2.gz CVVAMRVBJQYEBK-MDZRGWNJSA-N -1 0 411.458 2.995 50 0 HFAARM CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1 ZINC000036358310 569149702 /nfs/dbraw/zinc/14/97/02/569149702.db2.gz WOFDHKDGNUKPQN-OAQYLSRUSA-N -1 0 407.470 2.761 50 0 HFAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCSCC2)c2ccc(Br)cc21 ZINC000036366881 569152768 /nfs/dbraw/zinc/15/27/68/569152768.db2.gz LCORVMPQPIQRRQ-OAHLLOKOSA-N -1 0 413.293 2.663 50 0 HFAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2C1 ZINC000065196145 569194443 /nfs/dbraw/zinc/19/44/43/569194443.db2.gz BEHJMFZOPGWTTB-UHFFFAOYSA-N -1 0 410.517 2.861 50 0 HFAARM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)[O-] ZINC000036569391 569201430 /nfs/dbraw/zinc/20/14/30/569201430.db2.gz IFCSTIWTUVNXRA-APPDUMDISA-N -1 0 405.447 2.667 50 0 HFAARM COC(=O)c1cccc(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)c1 ZINC000065249951 569206034 /nfs/dbraw/zinc/20/60/34/569206034.db2.gz NALCSPTXERMEFJ-UHFFFAOYSA-N -1 0 422.372 2.597 50 0 HFAARM COCCOC(=O)c1sc2[n-]c([C@@H]3COc4ccccc4O3)nc(=O)c2c1C ZINC000170616534 569247503 /nfs/dbraw/zinc/24/75/03/569247503.db2.gz OMVRHWMZYLWXKC-ZDUSSCGKSA-N -1 0 402.428 2.609 50 0 HFAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCSC)C(=O)[O-])ccc12 ZINC000002146684 569289733 /nfs/dbraw/zinc/28/97/33/569289733.db2.gz WCGWYNQVPWDCAX-HNNXBMFYSA-N -1 0 407.488 2.755 50 0 biogenic HFAARM C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002147051 569289735 /nfs/dbraw/zinc/28/97/35/569289735.db2.gz WURFFGLJARPZAG-XCLFUZPHSA-N -1 0 407.422 2.991 50 0 biogenic HFAARM COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000252673341 569319496 /nfs/dbraw/zinc/31/94/96/569319496.db2.gz RAPHYCNPTXZBMV-ZDUSSCGKSA-N -1 0 424.478 2.934 50 0 HFAARM Cn1nc([N-]S(=O)(=O)c2ccc(I)cc2)c2ccccc21 ZINC000409420853 569387185 /nfs/dbraw/zinc/38/71/85/569387185.db2.gz QWFUKEXNEWNCQB-UHFFFAOYSA-N -1 0 413.240 2.979 50 0 HFAARM COc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1ccc(C(=O)[O-])cc1 ZINC000009185188 569391718 /nfs/dbraw/zinc/39/17/18/569391718.db2.gz IYTUMIKSIUXZTI-UHFFFAOYSA-N -1 0 419.850 2.753 50 0 HFAARM CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000012656731 569402413 /nfs/dbraw/zinc/40/24/13/569402413.db2.gz LIMGICFXHVUYQP-MKMOBPNTSA-N -1 0 420.477 2.942 50 0 biogenic HFAARM COCCNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361440 569411817 /nfs/dbraw/zinc/41/18/17/569411817.db2.gz ACZJVVQHIYSAEX-UHFFFAOYSA-N -1 0 406.489 2.865 50 0 HFAARM Cc1c(O)ccc2c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc(=O)oc12 ZINC000008917809 571153476 /nfs/dbraw/zinc/15/34/76/571153476.db2.gz FYQLFISRIOIOBY-SFHVURJKSA-N -1 0 420.421 2.643 50 0 biogenic HFAARM Cc1ccc(S(=O)(=O)[C@@H]2CCCC(=O)C2=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000040157175 571203947 /nfs/dbraw/zinc/20/39/47/571203947.db2.gz NPGDCKBPBVCUSJ-NHCUHLMSSA-N -1 0 423.494 2.970 50 0 HFAARM CC(C)C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000008994686 571208328 /nfs/dbraw/zinc/20/83/28/571208328.db2.gz XPPBICLZFAQMDF-ZWKOTPCHSA-N -1 0 409.442 2.631 50 0 HFAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2cccs2)C1 ZINC000009060537 571217272 /nfs/dbraw/zinc/21/72/72/571217272.db2.gz WXPDQSKXMQGKFC-OAHLLOKOSA-N -1 0 421.500 2.662 50 0 HFAARM C[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1cc2ccccc2o1 ZINC000069514200 571228727 /nfs/dbraw/zinc/22/87/27/571228727.db2.gz OBYLTHNDZWOEPP-LLVKDONJSA-N -1 0 409.427 2.619 50 0 HFAARM Cn1ccnc1SCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009218121 571237737 /nfs/dbraw/zinc/23/77/37/571237737.db2.gz DSEPMGOLJKSCGL-UHFFFAOYSA-N -1 0 422.557 2.805 50 0 HFAARM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(Cl)s1 ZINC000009493703 571262849 /nfs/dbraw/zinc/26/28/49/571262849.db2.gz MEUZVNVVUFPGDL-UHFFFAOYSA-N -1 0 422.937 2.692 50 0 HFAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(Br)cc3)c(=O)n12 ZINC000009560756 571268404 /nfs/dbraw/zinc/26/84/04/571268404.db2.gz GLYXUXYJOVSZNP-UHFFFAOYSA-N -1 0 414.306 2.936 50 0 HFAARM COc1cc(NC(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)c(OC)cc1Cl ZINC000009980961 571293407 /nfs/dbraw/zinc/29/34/07/571293407.db2.gz RBTVMCGILKTSKO-UHFFFAOYSA-N -1 0 423.834 2.793 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)c1 ZINC000006911256 132320379 /nfs/dbraw/zinc/32/03/79/132320379.db2.gz QCKFFTUHBUQHHV-UHFFFAOYSA-N -1 0 412.895 2.995 50 0 HFAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000033259899 132781371 /nfs/dbraw/zinc/78/13/71/132781371.db2.gz MCWVGTZUXBQNQH-UHFFFAOYSA-N -1 0 407.467 2.612 50 0 HFAARM CC(C)OC(=O)CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000032811014 519746874 /nfs/dbraw/zinc/74/68/74/519746874.db2.gz MQZOFJVLEWIFLJ-UHFFFAOYSA-N -1 0 408.451 2.698 50 0 HFAARM COc1ccc(C(=O)O[C@@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000032895374 523772237 /nfs/dbraw/zinc/77/22/37/523772237.db2.gz IXBRDQJGRQMESK-SUMWQHHRSA-N -1 0 419.455 2.665 50 0 HFAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)cc3Cl)cc2)C1 ZINC000032081617 526316787 /nfs/dbraw/zinc/31/67/87/526316787.db2.gz HJZBSRFBTKEZCY-JTQLQIEISA-N -1 0 412.826 2.717 50 0 HFAARM O=c1c2cc([N-]S(=O)(=O)c3ccccc3Br)ccc2nc2n1CCC2 ZINC000032833795 527461647 /nfs/dbraw/zinc/46/16/47/527461647.db2.gz JWJLZSYMBSCJJG-UHFFFAOYSA-N -1 0 420.288 2.906 50 0 HFAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022626825 557107893 /nfs/dbraw/zinc/10/78/93/557107893.db2.gz MENTXZNXOLNXLB-CQSZACIVSA-N -1 0 422.352 2.904 50 0 HFAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(O)CC2)cc1OC ZINC000022627616 557113747 /nfs/dbraw/zinc/11/37/47/557113747.db2.gz FIGHONGBYOLYCB-QGZVFWFLSA-N -1 0 418.519 2.758 50 0 HFAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])cc1 ZINC000002701256 557369098 /nfs/dbraw/zinc/36/90/98/557369098.db2.gz ZINZJWYAJXCTMR-HNNXBMFYSA-N -1 0 411.501 2.972 50 0 HFAARM COC(=O)c1cc(C)sc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000002889904 557423188 /nfs/dbraw/zinc/42/31/88/557423188.db2.gz NGQARLXPLLFARA-ZDUSSCGKSA-N -1 0 405.453 2.966 50 0 HFAARM CC(=O)Nc1ccc2cc(S(=O)(=O)[O-])cc(OS(=O)(=O)c3ccccc3)c2c1 ZINC000003150558 557451525 /nfs/dbraw/zinc/45/15/25/557451525.db2.gz LMRDZWKTAFERFJ-UHFFFAOYSA-N -1 0 421.452 2.813 50 0 HFAARM O=C([O-])c1cc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000004581374 557569833 /nfs/dbraw/zinc/56/98/33/557569833.db2.gz YFQGAYIXPZNNIE-UHFFFAOYSA-N -1 0 407.814 2.884 50 0 HFAARM O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H]2C=C[C@@H]1O2 ZINC000004646599 557574828 /nfs/dbraw/zinc/57/48/28/557574828.db2.gz CIVPYIYPPGXZPD-MLNNCEHLSA-N -1 0 418.493 2.574 50 0 HFAARM CCn1ncc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)c(Cl)c3)n2)c1C ZINC000002804362 557763366 /nfs/dbraw/zinc/76/33/66/557763366.db2.gz USROTIOSXKGWFD-UHFFFAOYSA-N -1 0 415.306 2.959 50 0 HFAARM CCCn1c(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)OCC)C3)cc2[n-]c1=S ZINC000003043718 557786741 /nfs/dbraw/zinc/78/67/41/557786741.db2.gz HBHXZZDMABKAID-AWEZNQCLSA-N -1 0 403.504 2.511 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1C ZINC000009356052 557838824 /nfs/dbraw/zinc/83/88/24/557838824.db2.gz HCYYPZPHTUVAKB-OAHLLOKOSA-N -1 0 404.488 2.713 50 0 HFAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)CC1 ZINC000022854639 557841999 /nfs/dbraw/zinc/84/19/99/557841999.db2.gz VHRRVIISGPQFDW-MRXNPFEDSA-N -1 0 415.519 2.922 50 0 HFAARM CCN1C(=O)C(=C(Sc2n[nH]c(C)n2)C(=O)[O-])c2cc(Br)ccc21 ZINC000020266091 558352761 /nfs/dbraw/zinc/35/27/61/558352761.db2.gz MQGBPTCRFPGDEO-VAWYXSNFSA-N -1 0 409.265 2.830 50 0 HFAARM [O-]C(c1cccs1)=C1[C@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000004387918 558488220 /nfs/dbraw/zinc/48/82/20/558488220.db2.gz QGHBCPORZJWTGN-HUBLWGQQSA-N -1 0 402.419 2.723 50 0 HFAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000022621067 558503198 /nfs/dbraw/zinc/50/31/98/558503198.db2.gz FIGQUJCEFNODRF-UHFFFAOYSA-N -1 0 408.439 2.909 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000022771397 558508750 /nfs/dbraw/zinc/50/87/50/558508750.db2.gz YBGCZUSBVRXBGK-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c1 ZINC000025123708 558632268 /nfs/dbraw/zinc/63/22/68/558632268.db2.gz RBQJZSRUEHMJHX-UHFFFAOYSA-N -1 0 416.425 2.622 50 0 HFAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000026542167 558662899 /nfs/dbraw/zinc/66/28/99/558662899.db2.gz SOBMVVLEZMVFHS-UHFFFAOYSA-N -1 0 403.243 2.680 50 0 HFAARM CCOC(=O)N1CCN([C@H](c2ccco2)c2sc3nc(CC)nn3c2[O-])CC1 ZINC000004585092 558780319 /nfs/dbraw/zinc/78/03/19/558780319.db2.gz APXJIOPBTJCHRJ-CQSZACIVSA-N -1 0 405.480 2.515 50 0 HFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)n1 ZINC000039403965 558820888 /nfs/dbraw/zinc/82/08/88/558820888.db2.gz NMOWJHQGKLKQIE-UHFFFAOYSA-N -1 0 400.435 2.906 50 0 HFAARM COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000004649114 558865801 /nfs/dbraw/zinc/86/58/01/558865801.db2.gz WSCSEMFOLWTCOO-UHFFFAOYSA-N -1 0 408.501 2.502 50 0 HFAARM COc1ccc(-c2csc(NC(=O)[C@H](CC(=O)[O-])NCc3ccco3)n2)cc1 ZINC000072334060 558935372 /nfs/dbraw/zinc/93/53/72/558935372.db2.gz PPMRVSVZTNPRSX-HNNXBMFYSA-N -1 0 401.444 2.983 50 0 HFAARM CSc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000061719904 558946455 /nfs/dbraw/zinc/94/64/55/558946455.db2.gz BQRARQZAHAJQOC-UHFFFAOYSA-N -1 0 409.467 2.647 50 0 HFAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000021778532 558948717 /nfs/dbraw/zinc/94/87/17/558948717.db2.gz AKKIVPCMIVQWAP-QZTJIDSGSA-N -1 0 414.849 2.893 50 0 HFAARM COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)c2cccnc2C)C3)cc1 ZINC000067867204 558994079 /nfs/dbraw/zinc/99/40/79/558994079.db2.gz OVOGVOXZQQSECJ-UHFFFAOYSA-N -1 0 420.469 2.735 50 0 HFAARM O=C([O-])[C@@H]1CCCN1C(=O)CCC(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000095918257 559089010 /nfs/dbraw/zinc/08/90/10/559089010.db2.gz DPIKMMXEDSJNGA-NRFANRHFSA-N -1 0 408.498 2.812 50 0 HFAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000100028381 559128743 /nfs/dbraw/zinc/12/87/43/559128743.db2.gz FMZRSDPJUYDBCT-DLBZAZTESA-N -1 0 415.812 2.719 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl ZINC000100033361 559128896 /nfs/dbraw/zinc/12/88/96/559128896.db2.gz DOPBZKJQKIPJKX-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)c1 ZINC000100036691 559129026 /nfs/dbraw/zinc/12/90/26/559129026.db2.gz QAFWRVAAORDHAS-VQTJNVASSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1cc([O-])c(-c2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)c(=O)o1 ZINC000100242449 559133212 /nfs/dbraw/zinc/13/32/12/559133212.db2.gz JLNMYQLZZCOOIU-UHFFFAOYSA-N -1 0 402.410 2.515 50 0 HFAARM CCN1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033404991 559164116 /nfs/dbraw/zinc/16/41/16/559164116.db2.gz CPAZRFIRFZVZFU-UHFFFAOYSA-N -1 0 407.923 2.919 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)n2)c1 ZINC000038486722 559256128 /nfs/dbraw/zinc/25/61/28/559256128.db2.gz OLISIKBCMXYWCP-SJORKVTESA-N -1 0 406.377 2.678 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011795907 559259801 /nfs/dbraw/zinc/25/98/01/559259801.db2.gz VTGXDBNHHBTXGG-HNNXBMFYSA-N -1 0 411.549 2.649 50 0 HFAARM O=C1[N-]C(=O)C(=CNc2ccc(Oc3ccc(Br)cc3)cc2)C(=O)N1 ZINC000005633615 560635134 /nfs/dbraw/zinc/63/51/34/560635134.db2.gz AYIYLUTUKLTKDA-UHFFFAOYSA-N -1 0 402.204 2.903 50 0 HFAARM CCc1ccccc1NC(=O)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000017902754 560730081 /nfs/dbraw/zinc/73/00/81/560730081.db2.gz OPBUBNFQBBMJEC-UHFFFAOYSA-N -1 0 410.499 2.766 50 0 HFAARM Cc1[n-]n2c(nc(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc2=O)c1-c1ccccc1 ZINC000017917328 560730583 /nfs/dbraw/zinc/73/05/83/560730583.db2.gz DZVDTRPSAWRWFK-BETUJISGSA-N -1 0 413.503 2.533 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000100890802 560762071 /nfs/dbraw/zinc/76/20/71/560762071.db2.gz RJWXASRMJCXCFM-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000101168190 560787527 /nfs/dbraw/zinc/78/75/27/560787527.db2.gz CUPVQXOFHJWYMY-DLBZAZTESA-N -1 0 400.822 2.851 50 0 HFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1 ZINC000101168397 560787560 /nfs/dbraw/zinc/78/75/60/560787560.db2.gz SREMPAPMIXZUDN-OALUTQOASA-N -1 0 409.421 2.881 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000101169021 560787655 /nfs/dbraw/zinc/78/76/55/560787655.db2.gz GCJBHWXQAUVLGF-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C ZINC000101169053 560787687 /nfs/dbraw/zinc/78/76/87/560787687.db2.gz NESPHUKJXPHBLE-QZTJIDSGSA-N -1 0 413.384 2.514 50 0 HFAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101174346 560787969 /nfs/dbraw/zinc/78/79/69/560787969.db2.gz ZAIMIQWWHRAJGU-RBUKOAKNSA-N -1 0 409.421 2.881 50 0 HFAARM O=C(Nc1cnccn1)c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000101377070 560793675 /nfs/dbraw/zinc/79/36/75/560793675.db2.gz BFRWPYPWKJJOEN-CYBMUJFWSA-N -1 0 410.463 2.735 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000101416131 560794580 /nfs/dbraw/zinc/79/45/80/560794580.db2.gz BEMURJZMHDUTGM-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@@H]1c1ccccc1 ZINC000101456656 560795549 /nfs/dbraw/zinc/79/55/49/560795549.db2.gz ZGXOYPQHYZNSGT-QGZVFWFLSA-N -1 0 424.844 2.582 50 0 HFAARM Cc1ccc(S(=O)(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2cccc(C)c2)cc1 ZINC000101802327 560802065 /nfs/dbraw/zinc/80/20/65/560802065.db2.gz KZOXKYGJHPZPIM-UHFFFAOYSA-N -1 0 423.498 2.738 50 0 HFAARM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006025239 568454758 /nfs/dbraw/zinc/45/47/58/568454758.db2.gz ZROVUWKKAZOIPZ-KPKJPENVSA-N -1 0 410.455 2.938 50 0 HFAARM O=C([O-])CCc1nn2c3ccccc3n(CCOc3ccc(Cl)cc3)c2nc1=O ZINC000012360390 568509357 /nfs/dbraw/zinc/50/93/57/568509357.db2.gz SASGBFSKVVXQOT-UHFFFAOYSA-N -1 0 412.833 2.794 50 0 HFAARM O=C(NCCc1cccs1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC000095377486 568603299 /nfs/dbraw/zinc/60/32/99/568603299.db2.gz HDZLAPUZCZCDKQ-UHFFFAOYSA-N -1 0 416.524 2.905 50 0 HFAARM Cc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1N1CCCS1(=O)=O ZINC000095424377 568607514 /nfs/dbraw/zinc/60/75/14/568607514.db2.gz CXPKNCDDYOFFEM-UHFFFAOYSA-N -1 0 402.472 2.804 50 0 HFAARM CNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c1 ZINC000095463988 568622324 /nfs/dbraw/zinc/62/23/24/568622324.db2.gz AFXXTDDTDKNTPY-GOSISDBHSA-N -1 0 404.488 2.664 50 0 HFAARM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC000095957016 568669573 /nfs/dbraw/zinc/66/95/73/568669573.db2.gz LLJQYNCVNRFSAI-OCCSQVGLSA-N -1 0 420.325 2.537 50 0 HFAARM COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000003121978 568727622 /nfs/dbraw/zinc/72/76/22/568727622.db2.gz RURNLGIPJMJCPU-SECBINFHSA-N -1 0 400.671 2.724 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2ccc(C)cc2)cc1 ZINC000096361034 568738955 /nfs/dbraw/zinc/73/89/55/568738955.db2.gz KFMAOOHZKKGTJZ-UHFFFAOYSA-N -1 0 414.487 2.766 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc2ccccc2oc1=O ZINC000000942083 568753570 /nfs/dbraw/zinc/75/35/70/568753570.db2.gz YKLASKHRHKHPIR-UHFFFAOYSA-N -1 0 422.422 2.636 50 0 HFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccsc2)CC4)cc1 ZINC000097161483 568769137 /nfs/dbraw/zinc/76/91/37/568769137.db2.gz BJNDWLFGJVESRN-UHFFFAOYSA-N -1 0 406.467 2.958 50 0 HFAARM O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCc2ccccc2C1 ZINC000002975318 568832279 /nfs/dbraw/zinc/83/22/79/568832279.db2.gz WQROLTGRYSVSMA-UHFFFAOYSA-N -1 0 409.467 2.763 50 0 HFAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1F ZINC000003321624 568880429 /nfs/dbraw/zinc/88/04/29/568880429.db2.gz JHARRCSSOYPHFX-UHFFFAOYSA-N -1 0 402.444 2.550 50 0 HFAARM Cc1sc2nc(CN3CCOCC3)nc([N-]S(=O)(=O)c3ccccc3)c2c1C ZINC000003425975 568900528 /nfs/dbraw/zinc/90/05/28/568900528.db2.gz IUQJIZPNWYKAPO-UHFFFAOYSA-N -1 0 418.544 2.941 50 0 HFAARM O=C(c1oc2ccccc2c1[N-]S(=O)(=O)c1ccccc1F)N1CCOCC1 ZINC000012650390 568906582 /nfs/dbraw/zinc/90/65/82/568906582.db2.gz QYPFGZNGSOAUJG-UHFFFAOYSA-N -1 0 404.419 2.845 50 0 HFAARM Cc1cc(I)ccc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000001281501 568910656 /nfs/dbraw/zinc/91/06/56/568910656.db2.gz ZHSFVKJMUTYLNL-UHFFFAOYSA-N -1 0 416.244 2.529 50 0 HFAARM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000001295770 568913035 /nfs/dbraw/zinc/91/30/35/568913035.db2.gz WEVXOCZLFQKZFG-DVOMOZLQSA-N -1 0 400.378 2.861 50 0 HFAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000004029491 568934425 /nfs/dbraw/zinc/93/44/25/568934425.db2.gz VGHXGZSHHJPAEB-LIRRHRJNSA-N -1 0 409.438 2.935 50 0 biogenic HFAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000004204791 568951551 /nfs/dbraw/zinc/95/15/51/568951551.db2.gz NLTFNNXKOGTGNP-DYVFJYSZSA-N -1 0 407.444 2.832 50 0 HFAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000008132803 568975911 /nfs/dbraw/zinc/97/59/11/568975911.db2.gz PQQVLBCNUNWBLE-LJQANCHMSA-N -1 0 416.499 2.725 50 0 HFAARM COc1ccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1OC ZINC000015861951 569015632 /nfs/dbraw/zinc/01/56/32/569015632.db2.gz UQJULYQEIDKUMC-UHFFFAOYSA-N -1 0 407.473 2.937 50 0 HFAARM O=C(NCCCn1ccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006199005 569031497 /nfs/dbraw/zinc/03/14/97/569031497.db2.gz IPULTJHZDBKMFG-UHFFFAOYSA-N -1 0 420.441 2.782 50 0 HFAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(N)=O ZINC000006405580 569047026 /nfs/dbraw/zinc/04/70/26/569047026.db2.gz LKEWXPYXQRYADG-UHFFFAOYSA-N -1 0 404.488 2.735 50 0 HFAARM COCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000035829448 569061594 /nfs/dbraw/zinc/06/15/94/569061594.db2.gz QEKWATNYZICYGE-WQRHYEAKSA-N -1 0 422.416 2.956 50 0 HFAARM CCCCC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000064589771 569069040 /nfs/dbraw/zinc/06/90/40/569069040.db2.gz PYLPHDGRXKQRGT-UHFFFAOYSA-N -1 0 418.538 2.550 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)cc1 ZINC000027061500 569072198 /nfs/dbraw/zinc/07/21/98/569072198.db2.gz RKUYTRCMBKCNBY-UHFFFAOYSA-N -1 0 403.464 2.568 50 0 HFAARM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N(CC)CC[NH+](C)C)cc1 ZINC000064843923 569107739 /nfs/dbraw/zinc/10/77/39/569107739.db2.gz BHLVLGQMHCMCJD-UHFFFAOYSA-N -1 0 420.535 2.531 50 0 HFAARM COc1ccccc1N1CC[NH+]([C@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036353930 569147899 /nfs/dbraw/zinc/14/78/99/569147899.db2.gz QMRACDLNERCSDB-NRFANRHFSA-N -1 0 423.469 2.833 50 0 HFAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)c1 ZINC000006859817 569157498 /nfs/dbraw/zinc/15/74/98/569157498.db2.gz PZIHQUBZGLFCDG-UHFFFAOYSA-N -1 0 409.489 2.663 50 0 HFAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)no1)N1CCCC1 ZINC000065097387 569176573 /nfs/dbraw/zinc/17/65/73/569176573.db2.gz RSNCFWAFPMCYFX-UHFFFAOYSA-N -1 0 422.463 2.974 50 0 HFAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3F)c2)no1)N1CCCC1 ZINC000065097384 569176607 /nfs/dbraw/zinc/17/66/07/569176607.db2.gz IGXSBKWWHHDGSG-UHFFFAOYSA-N -1 0 422.463 2.974 50 0 HFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(C)cc4)c3[nH]c2=O)cc1OC ZINC000065249976 569206065 /nfs/dbraw/zinc/20/60/65/569206065.db2.gz ZHBZIXBXEBAYSF-UHFFFAOYSA-N -1 0 420.425 2.997 50 0 HFAARM O=C([O-])[C@@]12CCC(=O)N1c1ccc(Cl)cc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000170620068 569248711 /nfs/dbraw/zinc/24/87/11/569248711.db2.gz AGPLKNNQEURACI-FQEVSTJZSA-N -1 0 408.801 2.504 50 0 HFAARM COCCn1cc(C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)c2ccccc2c1=O ZINC000170625099 569249966 /nfs/dbraw/zinc/24/99/66/569249966.db2.gz BUYZOZBJGPAJFB-UHFFFAOYSA-N -1 0 419.441 2.694 50 0 HFAARM O=C(c1n[n-]c2ccccc2c1=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000170625166 569249990 /nfs/dbraw/zinc/24/99/90/569249990.db2.gz CYEWFJBSYURIAM-MRXNPFEDSA-N -1 0 414.259 2.899 50 0 HFAARM O=C([N-]S(=O)(=O)c1ccccc1)c1cccc(F)c1I ZINC000089847776 569267172 /nfs/dbraw/zinc/26/71/72/569267172.db2.gz TYAOJCDWUZQZRT-UHFFFAOYSA-N -1 0 405.188 2.549 50 0 HFAARM C[C@H](CCNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)[S@@](C)=O ZINC000089895473 569267988 /nfs/dbraw/zinc/26/79/88/569267988.db2.gz SPIXHRTYMQYIBW-ASHKIFAZSA-N -1 0 409.577 2.893 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NC[C@H](C)c1ccccc1)c2=O ZINC000017113783 569275016 /nfs/dbraw/zinc/27/50/16/569275016.db2.gz ZJOBKBSRGYZOCU-ZDUSSCGKSA-N -1 0 411.483 2.766 50 0 HFAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)N1CCOCC1 ZINC000006742022 569280142 /nfs/dbraw/zinc/28/01/42/569280142.db2.gz QYPOMAQEIRGJFI-GJZGRUSLSA-N -1 0 406.504 2.697 50 0 HFAARM Cc1cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002121385 569285585 /nfs/dbraw/zinc/28/55/85/569285585.db2.gz BFZRBGGLQRZFGI-CJNGLKHVSA-N -1 0 401.459 2.973 50 0 biogenic HFAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(C)c12 ZINC000002121980 569285626 /nfs/dbraw/zinc/28/56/26/569285626.db2.gz PBCVSVIKUDCOPG-KRWDZBQOSA-N -1 0 409.438 2.773 50 0 biogenic HFAARM Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000002146194 569289624 /nfs/dbraw/zinc/28/96/24/569289624.db2.gz WIEAECBLYFKUAS-IBGZPJMESA-N -1 0 421.449 2.781 50 0 biogenic HFAARM COc1ccc(C2=NO[C@H](CNC(=O)c3nn(-c4ccc(F)cc4C)cc3[O-])C2)cc1 ZINC000253392252 569364980 /nfs/dbraw/zinc/36/49/80/569364980.db2.gz QRSAOUKZJVSQPW-KRWDZBQOSA-N -1 0 424.432 2.957 50 0 HFAARM CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000012656738 569402453 /nfs/dbraw/zinc/40/24/53/569402453.db2.gz LIMGICFXHVUYQP-MMVQHTNXSA-N -1 0 420.477 2.942 50 0 biogenic HFAARM CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245380805 571227389 /nfs/dbraw/zinc/22/73/89/571227389.db2.gz MYWXEAVGQMULNC-IOASZLSFSA-N -1 0 410.565 2.689 50 0 HFAARM CCOc1ccc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(CCC4=CCCCC4)C3=O)NN2)cc1 ZINC000009330666 571248651 /nfs/dbraw/zinc/24/86/51/571248651.db2.gz VSBHPLLMYKGZFT-PXBNPBHZSA-N -1 0 424.501 2.847 50 0 HFAARM Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000009338461 571249495 /nfs/dbraw/zinc/24/94/95/571249495.db2.gz IILDYUTVXOSSSV-UHFFFAOYSA-N -1 0 412.471 2.993 50 0 HFAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)c1 ZINC000009684075 571279317 /nfs/dbraw/zinc/27/93/17/571279317.db2.gz RVHYOWPWIQBDOR-UHFFFAOYSA-N -1 0 419.503 2.845 50 0 HFAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)NCc1ccccc1Cl ZINC000009762023 571284613 /nfs/dbraw/zinc/28/46/13/571284613.db2.gz XHSJHIIDJRNENT-UHFFFAOYSA-N -1 0 413.883 2.999 50 0 HFAARM COc1ccc(-c2cnc(S([O-])=CC(=O)NCc3ccc(F)cc3)n2C)cc1 ZINC000009828765 571286973 /nfs/dbraw/zinc/28/69/73/571286973.db2.gz GTFHEKOARQAGEH-NDEPHWFRSA-N -1 0 401.463 2.659 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000009835781 571287904 /nfs/dbraw/zinc/28/79/04/571287904.db2.gz WNPXBWFDCIWSLA-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM CCOC(=O)Cc1csc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)n1 ZINC000010323734 571300284 /nfs/dbraw/zinc/30/02/84/571300284.db2.gz DSZBRFHUHGWVGY-UHFFFAOYSA-N -1 0 418.500 2.650 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cn2ccc3c2cccc3Cl)cc1 ZINC000032094361 519678867 /nfs/dbraw/zinc/67/88/67/519678867.db2.gz HEZNRVRWJORQOQ-UHFFFAOYSA-N -1 0 405.863 2.758 50 0 HFAARM COc1ccc(C(=O)O[C@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000032895375 523773073 /nfs/dbraw/zinc/77/30/73/523773073.db2.gz IXBRDQJGRQMESK-GUYCJALGSA-N -1 0 419.455 2.665 50 0 HFAARM O=C([O-])C1=C(I)[C@@H]2C=C(I)C=CC2=N1 ZINC000020405893 527559959 /nfs/dbraw/zinc/55/99/59/527559959.db2.gz RDNGCZUDXCEUCI-RXMQYKEDSA-N -1 0 412.952 2.677 50 0 HFAARM COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000011906639 536672757 /nfs/dbraw/zinc/67/27/57/536672757.db2.gz MSUOWRSNMYKIRJ-UHFFFAOYSA-N -1 0 410.517 2.734 50 0 HFAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000000645237 557034905 /nfs/dbraw/zinc/03/49/05/557034905.db2.gz MTMVSILKJOMSPK-UHFFFAOYSA-N -1 0 402.472 2.733 50 0 HFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 ZINC000000677909 557053804 /nfs/dbraw/zinc/05/38/04/557053804.db2.gz QHKBORYIAAMNRV-UHFFFAOYSA-N -1 0 408.439 2.695 50 0 HFAARM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000879580 557109188 /nfs/dbraw/zinc/10/91/88/557109188.db2.gz SFVWWOQIJDGBDG-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1COc2ccccc2O1 ZINC000000913122 557116933 /nfs/dbraw/zinc/11/69/33/557116933.db2.gz VUQSIXJQUSJEHO-MRXNPFEDSA-N -1 0 417.468 2.722 50 0 HFAARM O=C(COc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000942847 557121955 /nfs/dbraw/zinc/12/19/55/557121955.db2.gz YWLKUDBOXFTLGE-UHFFFAOYSA-N -1 0 418.862 2.948 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1 ZINC000001027626 557145600 /nfs/dbraw/zinc/14/56/00/557145600.db2.gz KDHHKCNGUDUBIZ-UHFFFAOYSA-N -1 0 411.436 2.724 50 0 HFAARM COc1cc2c(cc1OC)CN(C(=S)[N-]S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000001123493 557193101 /nfs/dbraw/zinc/19/31/01/557193101.db2.gz QWCAOIWFLNNMFQ-UHFFFAOYSA-N -1 0 406.529 2.634 50 0 HFAARM COc1ccc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])c(OC)c1 ZINC000002298843 557335371 /nfs/dbraw/zinc/33/53/71/557335371.db2.gz HLZFUSLLUUXKHO-NVNXTCNLSA-N -1 0 417.414 2.585 50 0 HFAARM CCCCOc1c(I)cc(/C=C2\NC(=O)[N-]C2=O)cc1OC ZINC000002772891 557383879 /nfs/dbraw/zinc/38/38/79/557383879.db2.gz MEZOJKYIEDHFGS-XFFZJAGNSA-N -1 0 416.215 2.659 50 0 HFAARM Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(C(=O)[O-])cc1 ZINC000002861246 557410272 /nfs/dbraw/zinc/41/02/72/557410272.db2.gz BXARHESJLHDIFK-UHFFFAOYSA-N -1 0 406.179 2.997 50 0 HFAARM O=C([O-])C[C@H](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000004325102 557541882 /nfs/dbraw/zinc/54/18/82/557541882.db2.gz KNYIQPLMWJACIE-IBGZPJMESA-N -1 0 410.470 2.708 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)c1 ZINC000004852067 557606430 /nfs/dbraw/zinc/60/64/30/557606430.db2.gz QAFWRVAAORDHAS-UXHICEINSA-N -1 0 405.458 2.852 50 0 HFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccco1 ZINC000004976742 557619576 /nfs/dbraw/zinc/61/95/76/557619576.db2.gz YCIJGUHRLATMSH-YWXUCKCNSA-N -1 0 404.422 2.863 50 0 HFAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000006730719 557718109 /nfs/dbraw/zinc/71/81/09/557718109.db2.gz DXDJZDUZHWFDIE-KBPBESRZSA-N -1 0 418.515 2.705 50 0 HFAARM O=C(CCCCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NC[C@@H]1CCCO1 ZINC000002974424 557775855 /nfs/dbraw/zinc/77/58/55/557775855.db2.gz FUFZJTCVUCMPOR-ZDUSSCGKSA-N -1 0 419.503 2.643 50 0 HFAARM Cc1ccc(CNC(=O)CCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)o1 ZINC000002975254 557776803 /nfs/dbraw/zinc/77/68/03/557776803.db2.gz GNKKUVZRODGVQW-UHFFFAOYSA-N -1 0 401.444 2.786 50 0 HFAARM CC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003043762 557786726 /nfs/dbraw/zinc/78/67/26/557786726.db2.gz LWTADUHZHJFXTE-LBPRGKRZSA-N -1 0 411.483 2.991 50 0 HFAARM Cc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)s1 ZINC000008917465 557814165 /nfs/dbraw/zinc/81/41/65/557814165.db2.gz JZLBGHHKZPKFMU-UHFFFAOYSA-N -1 0 423.907 2.825 50 0 HFAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855095 557842322 /nfs/dbraw/zinc/84/23/22/557842322.db2.gz WBESYNDXMHULOH-INIZCTEOSA-N -1 0 419.938 2.966 50 0 HFAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]N1C(=O)N[C@](C)(c2ccco2)C1=O ZINC000021554688 558441421 /nfs/dbraw/zinc/44/14/21/558441421.db2.gz HNQMAWINHUIYGB-LJQANCHMSA-N -1 0 414.418 2.963 50 0 HFAARM COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000012992823 558496992 /nfs/dbraw/zinc/49/69/92/558496992.db2.gz HSTWVJJQZURYKD-GDBMZVCRSA-N -1 0 416.861 2.514 50 0 HFAARM COc1ccc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1OC ZINC000013551862 558539195 /nfs/dbraw/zinc/53/91/95/558539195.db2.gz VPLHJUZFAQPKCI-UHFFFAOYSA-N -1 0 407.473 2.937 50 0 HFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000024435074 558597309 /nfs/dbraw/zinc/59/73/09/558597309.db2.gz XHEFHZGJWCAHGY-UHFFFAOYSA-N -1 0 414.405 2.979 50 0 HFAARM CCOc1cc([C@H]2[C@@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)ccc1O ZINC000004563489 558733215 /nfs/dbraw/zinc/73/32/15/558733215.db2.gz NDWNFEKGSDLQNB-OALUTQOASA-N -1 0 401.415 2.803 50 0 HFAARM NC(=O)c1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000030604608 558733948 /nfs/dbraw/zinc/73/39/48/558733948.db2.gz NMQCIYIHTRHUHD-UHFFFAOYSA-N -1 0 415.496 2.829 50 0 HFAARM COc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(c4ccccc4OC)C3=O)NN2)cc1 ZINC000017043134 558812677 /nfs/dbraw/zinc/81/26/77/558812677.db2.gz ULLFWSINHSUAHD-QFVIEVDGSA-N -1 0 408.414 2.620 50 0 HFAARM CCc1c(C)sc(NC(=O)COCC(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000017087320 558816196 /nfs/dbraw/zinc/81/61/96/558816196.db2.gz ZKCGXMXKEPNBRY-UHFFFAOYSA-N -1 0 406.460 2.920 50 0 HFAARM CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000017093214 558821534 /nfs/dbraw/zinc/82/15/34/558821534.db2.gz LXLXHBIYWITRBZ-RTBURBONSA-N -1 0 422.547 2.534 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000018153992 558832290 /nfs/dbraw/zinc/83/22/90/558832290.db2.gz NOLIHSGPUZRYLM-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM COc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Br)c1OCC(=O)[O-] ZINC000004679323 558890482 /nfs/dbraw/zinc/89/04/82/558890482.db2.gz MNYIELQYWKMDDR-UHFFFAOYSA-N -1 0 405.204 2.825 50 0 HFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccc(C)nc2)CC4)cc1 ZINC000097942102 558947913 /nfs/dbraw/zinc/94/79/13/558947913.db2.gz QJYUDGIPSYPCEF-UHFFFAOYSA-N -1 0 415.453 2.600 50 0 HFAARM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1Br)n(C)c(=O)n2C ZINC000064591868 558964680 /nfs/dbraw/zinc/96/46/80/558964680.db2.gz DDLPTVNFIJHHIF-UHFFFAOYSA-N -1 0 410.293 2.749 50 0 HFAARM O=C(c1ccccn1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097151852 558997446 /nfs/dbraw/zinc/99/74/46/558997446.db2.gz VZPCBWLBETTZDM-UHFFFAOYSA-N -1 0 405.845 2.937 50 0 HFAARM Cc1c[nH]c(C(=O)N2CCc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3C2)c1 ZINC000077486566 559006913 /nfs/dbraw/zinc/00/69/13/559006913.db2.gz FSSXNMNPSPIBBP-UHFFFAOYSA-N -1 0 400.460 2.619 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)no1 ZINC000072301870 559121030 /nfs/dbraw/zinc/12/10/30/559121030.db2.gz ODTMRQUMDRPVBW-UHFFFAOYSA-N -1 0 408.457 2.860 50 0 HFAARM COc1cc([C@H](C2=C([O-])COC2=O)c2cc3c(cc2O)OCO3)cc(OC)c1OC ZINC000100695803 559137967 /nfs/dbraw/zinc/13/79/67/559137967.db2.gz YJVHSWXCBZHYQR-SFHVURJKSA-N -1 0 416.382 2.648 50 0 HFAARM O=C([O-])c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2 ZINC000004904852 559200508 /nfs/dbraw/zinc/20/05/08/559200508.db2.gz QMMGSYQIVZLBAT-UHFFFAOYSA-N -1 0 404.415 2.647 50 0 HFAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000005126563 559248094 /nfs/dbraw/zinc/24/80/94/559248094.db2.gz DAXLHDUYTQSOTH-UHFFFAOYSA-N -1 0 405.476 2.594 50 0 HFAARM COc1ccc(-n2c(CNC(=O)c3ccc(OC)cc3OC)n[n-]c2=S)cc1 ZINC000005128734 559249018 /nfs/dbraw/zinc/24/90/18/559249018.db2.gz LQSJIFFLCOLALT-UHFFFAOYSA-N -1 0 400.460 2.886 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011795906 559259797 /nfs/dbraw/zinc/25/97/97/559259797.db2.gz VTGXDBNHHBTXGG-OAHLLOKOSA-N -1 0 411.549 2.649 50 0 HFAARM O=C(C[C@@H]1Sc2cc(C(=O)[O-])ccc2NC1=O)Nc1ccc2c(c1)OCCO2 ZINC000061719623 559293381 /nfs/dbraw/zinc/29/33/81/559293381.db2.gz VBYGJTKYASIIHC-INIZCTEOSA-N -1 0 400.412 2.598 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1 ZINC000101169628 560787845 /nfs/dbraw/zinc/78/78/45/560787845.db2.gz FWVUBNLVHLPBFS-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1OC ZINC000101170655 560787937 /nfs/dbraw/zinc/78/79/37/560787937.db2.gz ITXOCTCREZULFM-IAGOWNOFSA-N -1 0 400.822 2.851 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262725 560789978 /nfs/dbraw/zinc/78/99/78/560789978.db2.gz FUVIWEMIJHNVGY-OALUTQOASA-N -1 0 414.425 2.719 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1 ZINC000101277626 560790421 /nfs/dbraw/zinc/79/04/21/560790421.db2.gz NIBFFKCRGPKNBU-QZTJIDSGSA-N -1 0 418.413 2.547 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000101416610 560794664 /nfs/dbraw/zinc/79/46/64/560794664.db2.gz XDCRQLUPFUEASZ-ROUUACIJSA-N -1 0 411.849 2.834 50 0 HFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000101892703 560804465 /nfs/dbraw/zinc/80/44/65/560804465.db2.gz ZLDKFBKQZRBLGR-ZWKOTPCHSA-N -1 0 418.413 2.629 50 0 HFAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1 ZINC000101892870 560804480 /nfs/dbraw/zinc/80/44/80/560804480.db2.gz LZBLRKVOZHAFNU-DLBZAZTESA-N -1 0 420.454 2.952 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1 ZINC000101893767 560804576 /nfs/dbraw/zinc/80/45/76/560804576.db2.gz LBAZLUOBKMHOIB-ZWKOTPCHSA-N -1 0 402.414 2.847 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Cl)c(Cl)c1 ZINC000102001437 560807215 /nfs/dbraw/zinc/80/72/15/560807215.db2.gz WWZMVQTZPIBEDI-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM O=C(Nc1ccc(I)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000102232454 560808875 /nfs/dbraw/zinc/80/88/75/560808875.db2.gz ZQNUQBBBUFKWMV-CYBMUJFWSA-N -1 0 406.179 2.535 50 0 HFAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000102729492 560822101 /nfs/dbraw/zinc/82/21/01/560822101.db2.gz SBYIUXAUEACNKU-OAHLLOKOSA-N -1 0 401.426 2.706 50 0 HFAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000102874142 560830453 /nfs/dbraw/zinc/83/04/53/560830453.db2.gz APKGCPYUHTYUJG-XHBSWPGZSA-N -1 0 404.492 2.712 50 0 HFAARM Cc1cc(=O)n(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2ccccc12 ZINC000217796378 568474103 /nfs/dbraw/zinc/47/41/03/568474103.db2.gz SLWQCKXHHIBMGQ-IBGZPJMESA-N -1 0 403.438 2.603 50 0 biogenic HFAARM O=C([O-])CC[C@]1(CCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCC(=O)N1 ZINC000218675688 568482885 /nfs/dbraw/zinc/48/28/85/568482885.db2.gz YDANIAWCDOOBOU-JOCHJYFZSA-N -1 0 404.482 2.901 50 0 HFAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)[n-]c2=O)cc1 ZINC000012348016 568495920 /nfs/dbraw/zinc/49/59/20/568495920.db2.gz BXZFZECZYKVAPC-UHFFFAOYSA-N -1 0 424.482 2.698 50 0 HFAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NCc4cccnc4)c3=O)c2c1 ZINC000020330299 568599414 /nfs/dbraw/zinc/59/94/14/568599414.db2.gz GLVGKCFFRTZWHT-UHFFFAOYSA-N -1 0 409.471 2.650 50 0 HFAARM O=C([O-])C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccc(OC(F)F)cc1 ZINC000095464076 568622346 /nfs/dbraw/zinc/62/23/46/568622346.db2.gz UMJPZHXYMHBLEG-QGZVFWFLSA-N -1 0 416.384 2.743 50 0 HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)n1C ZINC000021154257 568673001 /nfs/dbraw/zinc/67/30/01/568673001.db2.gz CMJZNSYPDUGEGS-UHFFFAOYSA-N -1 0 405.520 2.532 50 0 HFAARM COC(=O)C[C@H](c1cccc(O)c1)c1c([O-])nc2ccc(Br)cn2c1=O ZINC000096115772 568695522 /nfs/dbraw/zinc/69/55/22/568695522.db2.gz KRVSDKIPCWKSCA-CYBMUJFWSA-N -1 0 419.231 2.563 50 0 biogenic HFAARM CCCCS(=O)(=O)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097151722 568714332 /nfs/dbraw/zinc/71/43/32/568714332.db2.gz IMMYCYBQRSAHBN-UHFFFAOYSA-N -1 0 420.922 2.831 50 0 HFAARM O=C(NCc1ccc2c(c1)OCO2)c1cncc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000021639003 568727481 /nfs/dbraw/zinc/72/74/81/568727481.db2.gz YATQJFUCNUJIAV-UHFFFAOYSA-N -1 0 411.439 2.541 50 0 HFAARM CCOc1ccccc1CNC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000096361245 568739170 /nfs/dbraw/zinc/73/91/70/568739170.db2.gz GUAKPZIVOKBBKW-UHFFFAOYSA-N -1 0 414.487 2.848 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccccc2)cc1 ZINC000096361276 568739292 /nfs/dbraw/zinc/73/92/92/568739292.db2.gz SQJZNLDZTKHDAQ-UHFFFAOYSA-N -1 0 400.460 2.539 50 0 HFAARM CCOC(=O)c1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000000956212 568757583 /nfs/dbraw/zinc/75/75/83/568757583.db2.gz QUFUOUWXUBZGAP-UHFFFAOYSA-N -1 0 414.801 2.997 50 0 HFAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)cc1OC ZINC000022468433 568768346 /nfs/dbraw/zinc/76/83/46/568768346.db2.gz GHPIHHAPYTVMQJ-KRWDZBQOSA-N -1 0 417.535 2.549 50 0 HFAARM CCN(CC)c1ccc(NC(=O)COC)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000005881819 568828064 /nfs/dbraw/zinc/82/80/64/568828064.db2.gz IEEZJADYKGNUNA-UHFFFAOYSA-N -1 0 421.519 2.927 50 0 HFAARM COc1ccc(CNC(=O)CCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975343 568832550 /nfs/dbraw/zinc/83/25/50/568832550.db2.gz WYWQRSHCDZTOJP-UHFFFAOYSA-N -1 0 413.455 2.503 50 0 HFAARM CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000004027535 568878331 /nfs/dbraw/zinc/87/83/31/568878331.db2.gz FRRZIPPXTFWZML-ZRWREAKPSA-N -1 0 402.487 2.850 50 0 biogenic HFAARM CCS(=O)(=O)Nc1cnc(N2CCN(c3cccc(C)c3)[C@H](C)C2)c(C(=O)[O-])c1 ZINC000035209355 569009864 /nfs/dbraw/zinc/00/98/64/569009864.db2.gz CUIILLNNERGCGZ-OAHLLOKOSA-N -1 0 418.519 2.565 50 0 HFAARM Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)c1 ZINC000006309505 569038678 /nfs/dbraw/zinc/03/86/78/569038678.db2.gz GJBBDAKOUSATKD-UHFFFAOYSA-N -1 0 415.500 2.705 50 0 HFAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000006395705 569046616 /nfs/dbraw/zinc/04/66/16/569046616.db2.gz ZMWPXANMZDQJJE-MSOLQXFVSA-N -1 0 406.504 2.713 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1OC ZINC000006770718 569116623 /nfs/dbraw/zinc/11/66/23/569116623.db2.gz KJWXBROZRVDROM-DLBZAZTESA-N -1 0 400.822 2.851 50 0 HFAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)c(C)n1C ZINC000064922940 569122542 /nfs/dbraw/zinc/12/25/42/569122542.db2.gz VJALFXCXSPVGQU-UHFFFAOYSA-N -1 0 402.856 2.592 50 0 HFAARM COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2cn(C)c3cc(C(=O)[O-])ccc23)CC1 ZINC000036357476 569148940 /nfs/dbraw/zinc/14/89/40/569148940.db2.gz DMGDLSWUXSVAOS-OAQYLSRUSA-N -1 0 423.469 2.833 50 0 HFAARM COc1ccccc1N1CC[NH+]([C@H](C(=O)[O-])c2cn(C)c3cc(C(=O)[O-])ccc23)CC1 ZINC000036357475 569148961 /nfs/dbraw/zinc/14/89/61/569148961.db2.gz DMGDLSWUXSVAOS-NRFANRHFSA-N -1 0 423.469 2.833 50 0 HFAARM COc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c1 ZINC000036360804 569151964 /nfs/dbraw/zinc/15/19/64/569151964.db2.gz AZEBGISFRGHEPZ-NRFANRHFSA-N -1 0 423.469 2.833 50 0 HFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCSCC2)c2ccc(Br)cc21 ZINC000036366880 569152771 /nfs/dbraw/zinc/15/27/71/569152771.db2.gz LCORVMPQPIQRRQ-HNNXBMFYSA-N -1 0 413.293 2.663 50 0 HFAARM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccccc3F)c2)o1)N1CCCC1 ZINC000065098781 569176900 /nfs/dbraw/zinc/17/69/00/569176900.db2.gz SBGPZEVXDUNQSU-UHFFFAOYSA-N -1 0 422.463 2.974 50 0 HFAARM COC(=O)c1cccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)c1 ZINC000065250045 569205997 /nfs/dbraw/zinc/20/59/97/569205997.db2.gz RKIPKMXBFADDTK-UHFFFAOYSA-N -1 0 418.409 2.767 50 0 HFAARM O=C([O-])c1nn(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(=O)c2ccccc21 ZINC000010216385 569253479 /nfs/dbraw/zinc/25/34/79/569253479.db2.gz CHBUMDCLOFJEJT-UHFFFAOYSA-N -1 0 423.759 2.988 50 0 HFAARM C[C@@H](CCNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)[S@](C)=O ZINC000089895468 569267851 /nfs/dbraw/zinc/26/78/51/569267851.db2.gz SPIXHRTYMQYIBW-PGGUUEOZSA-N -1 0 409.577 2.893 50 0 HFAARM Cc1cc(NC(=O)C2CC2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1 ZINC000017053468 569272651 /nfs/dbraw/zinc/27/26/51/569272651.db2.gz OTAVHYHOOWSCBD-UHFFFAOYSA-N -1 0 403.446 2.981 50 0 HFAARM Cc1c(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002137281 569287434 /nfs/dbraw/zinc/28/74/34/569287434.db2.gz CBGDDRUNUJUGCL-KRWDZBQOSA-N -1 0 401.459 2.975 50 0 biogenic HFAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000002152305 569290123 /nfs/dbraw/zinc/29/01/23/569290123.db2.gz VFIYOPOFKBMIAK-UHFFFAOYSA-N -1 0 421.449 2.995 50 0 biogenic HFAARM O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NC[C@@H]1CCCOC1 ZINC000170649002 569292404 /nfs/dbraw/zinc/29/24/04/569292404.db2.gz LQZZHSPMXBCECF-INIZCTEOSA-N -1 0 406.479 2.712 50 0 HFAARM COc1cccc(CNC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013348832 569411062 /nfs/dbraw/zinc/41/10/62/569411062.db2.gz AIDKXIBABPGSSO-UHFFFAOYSA-N -1 0 406.489 2.998 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000067240828 571052176 /nfs/dbraw/zinc/05/21/76/571052176.db2.gz NYXBSIPOMFZYPP-VQTJNVASSA-N -1 0 405.458 2.798 50 0 HFAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cnc2ccccc2n1 ZINC000008862246 571128765 /nfs/dbraw/zinc/12/87/65/571128765.db2.gz ZZUGZDMIIBHHNJ-UHFFFAOYSA-N -1 0 423.432 2.770 50 0 HFAARM Cc1ccc2cc(COC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)c(Cl)nc2c1 ZINC000009032315 571212710 /nfs/dbraw/zinc/21/27/10/571212710.db2.gz SUKOLQLTRVCVQN-UHFFFAOYSA-N -1 0 409.829 2.943 50 0 HFAARM CC(=O)N1NC(=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C[C@H]1c1cccs1 ZINC000009042977 571215219 /nfs/dbraw/zinc/21/52/19/571215219.db2.gz DQAROBPQAVNMBT-YIQZXQSLSA-N -1 0 410.455 2.919 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N=c2sccn2C)cc1 ZINC000245264302 571221506 /nfs/dbraw/zinc/22/15/06/571221506.db2.gz CPEVWWKTJNDXPX-UHFFFAOYSA-N -1 0 403.485 2.637 50 0 HFAARM COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000009569128 571268580 /nfs/dbraw/zinc/26/85/80/571268580.db2.gz LGEDBVIWDQKBLH-UHFFFAOYSA-N -1 0 424.544 2.961 50 0 HFAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000009674888 571278858 /nfs/dbraw/zinc/27/88/58/571278858.db2.gz GQRFTTNITNPGME-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)n1C ZINC000009685217 571279670 /nfs/dbraw/zinc/27/96/70/571279670.db2.gz LWSAPSYWVPEUNW-UHFFFAOYSA-N -1 0 405.520 2.532 50 0 HFAARM CN1CCOc2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2C1=O ZINC000009828162 571286764 /nfs/dbraw/zinc/28/67/64/571286764.db2.gz SKQWFROXKCVZOY-UHFFFAOYSA-N -1 0 411.277 2.714 50 0 HFAARM COc1ccc(CNC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009828689 571286933 /nfs/dbraw/zinc/28/69/33/571286933.db2.gz RQWFPDIEIUQCDA-UHFFFAOYSA-N -1 0 417.512 2.811 50 0 HFAARM O=C([O-])CN1CCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000002562461 571315656 /nfs/dbraw/zinc/31/56/56/571315656.db2.gz ZYSRRJZAOFHCSC-HXUWFJFHSA-N -1 0 408.454 2.991 50 0 HFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000001030487 132235217 /nfs/dbraw/zinc/23/52/17/132235217.db2.gz JCSKVTRERKVAJL-UHFFFAOYSA-N -1 0 405.398 2.948 50 0 HFAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2c(C)nn(-c3ccccc3)c2C)s1 ZINC000032855681 519678360 /nfs/dbraw/zinc/67/83/60/519678360.db2.gz DNWAAPIUJMVPFO-UHFFFAOYSA-N -1 0 404.517 2.988 50 0 HFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CC(=O)NCC(F)(F)F)cc1 ZINC000044038137 524325287 /nfs/dbraw/zinc/32/52/87/524325287.db2.gz QWDIUTIVBJERGU-UHFFFAOYSA-N -1 0 420.384 2.856 50 0 HFAARM COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000040313034 525438041 /nfs/dbraw/zinc/43/80/41/525438041.db2.gz GTERNVCETCJXAC-FPOVZHCZSA-N -1 0 420.469 2.771 50 0 biogenic HFAARM Cc1nc(SCc2cc(=O)[nH]c3sc(C(=O)[O-])c(C)c32)sc1CC(N)=O ZINC000024753467 527021149 /nfs/dbraw/zinc/02/11/49/527021149.db2.gz VEWCMACMSNKECS-UHFFFAOYSA-N -1 0 409.514 2.681 50 0 HFAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000005625195 535226577 /nfs/dbraw/zinc/22/65/77/535226577.db2.gz WNVPRTFKHMITEB-VHEBQXMUSA-N -1 0 409.442 2.741 50 0 HFAARM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000000676648 557052861 /nfs/dbraw/zinc/05/28/61/557052861.db2.gz UJMZSNQEPAWGKU-UHFFFAOYSA-N -1 0 417.443 2.810 50 0 HFAARM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000778745 557078010 /nfs/dbraw/zinc/07/80/10/557078010.db2.gz VVZGPNCGPKONFW-UHFFFAOYSA-N -1 0 419.484 2.970 50 0 HFAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000000797259 557083445 /nfs/dbraw/zinc/08/34/45/557083445.db2.gz FJEWWICNTWMZOK-UHFFFAOYSA-N -1 0 403.197 2.790 50 0 HFAARM COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1C(=O)[O-] ZINC000000814810 557089356 /nfs/dbraw/zinc/08/93/56/557089356.db2.gz WTWWXVRCQBIQPN-GOSISDBHSA-N -1 0 405.414 2.913 50 0 HFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1 ZINC000000851959 557101266 /nfs/dbraw/zinc/10/12/66/557101266.db2.gz LAMSAFOJSIPSQZ-UHFFFAOYSA-N -1 0 412.471 2.912 50 0 HFAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCOCC3)c([O-])n2n1 ZINC000022626618 557105125 /nfs/dbraw/zinc/10/51/25/557105125.db2.gz QYOSSLGJEIUBJU-ZDUSSCGKSA-N -1 0 409.309 2.989 50 0 HFAARM CCOC(=O)c1cnc(=NNS(=O)(=O)c2ccc(Cl)cc2)[n-]c1C(F)(F)F ZINC000001027275 557145438 /nfs/dbraw/zinc/14/54/38/557145438.db2.gz DSQAYEQZLBCDPO-UHFFFAOYSA-N -1 0 424.788 2.631 50 0 HFAARM CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cn1 ZINC000001051974 557160314 /nfs/dbraw/zinc/16/03/14/557160314.db2.gz MKIIKRAULASGKC-UHFFFAOYSA-N -1 0 406.489 2.505 50 0 HFAARM O=C(NC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001891123 557294253 /nfs/dbraw/zinc/29/42/53/557294253.db2.gz BCAMLRBXXNPGPV-UHFFFAOYSA-N -1 0 402.457 2.906 50 0 HFAARM C[C@@H](NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002049265 557300336 /nfs/dbraw/zinc/30/03/36/557300336.db2.gz MPRWRADRWSUPBE-CJNGLKHVSA-N -1 0 408.495 2.889 50 0 HFAARM COC(=O)c1cccc(CN2C(=O)S[C@@H](Nc3ccccc3C(=O)[O-])C2=O)c1 ZINC000002324117 557337432 /nfs/dbraw/zinc/33/74/32/557337432.db2.gz GDRZUXDTOAEAER-OAHLLOKOSA-N -1 0 400.412 2.805 50 0 HFAARM O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002991469 557437736 /nfs/dbraw/zinc/43/77/36/557437736.db2.gz LXBSAOZQBKKSMC-UHFFFAOYSA-N -1 0 409.514 2.886 50 0 HFAARM CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(OCC(=O)[O-])cc1 ZINC000004657461 557577041 /nfs/dbraw/zinc/57/70/41/557577041.db2.gz ITRZTHCUDSZPJN-IBGZPJMESA-N -1 0 412.467 2.643 50 0 HFAARM O=C([N-]n1cc(C(=O)Nc2ccccc2F)c2ccccc2c1=O)c1cnccn1 ZINC000004757288 557594632 /nfs/dbraw/zinc/59/46/32/557594632.db2.gz RSNWZFDMIQHFJX-UHFFFAOYSA-N -1 0 403.373 2.567 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1 ZINC000004852075 557606377 /nfs/dbraw/zinc/60/63/77/557606377.db2.gz GVQCTACUCUEQRH-UXHICEINSA-N -1 0 405.458 2.798 50 0 HFAARM CSCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000005235471 557640903 /nfs/dbraw/zinc/64/09/03/557640903.db2.gz LTKATAYITAICPH-YVEFUNNKSA-N -1 0 419.499 2.762 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000002783852 557759021 /nfs/dbraw/zinc/75/90/21/557759021.db2.gz DWCYKJHNHGROFL-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855099 557842315 /nfs/dbraw/zinc/84/23/15/557842315.db2.gz IWEHXBZDWKDUEY-INIZCTEOSA-N -1 0 419.938 2.966 50 0 HFAARM CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855226 557842548 /nfs/dbraw/zinc/84/25/48/557842548.db2.gz DEBXJJUNZHHCHI-KRWDZBQOSA-N -1 0 418.519 2.622 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl ZINC000009674461 557848348 /nfs/dbraw/zinc/84/83/48/557848348.db2.gz LIRIGRJSHBWVEM-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM COC(=O)c1cc(CNC(=O)C2CC2)cc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000011912282 558297170 /nfs/dbraw/zinc/29/71/70/558297170.db2.gz OSWJZQNCCCBXDQ-UHFFFAOYSA-N -1 0 422.890 2.954 50 0 HFAARM O=C(NCCOc1ccccc1)c1ccccc1[N-]S(=O)(=O)N1CCCCC1 ZINC000012376792 558392168 /nfs/dbraw/zinc/39/21/68/558392168.db2.gz OMUDCYFKRWMABH-UHFFFAOYSA-N -1 0 403.504 2.638 50 0 HFAARM COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000021089812 558431039 /nfs/dbraw/zinc/43/10/39/558431039.db2.gz TYTPBLMDVQNIMU-SFHVURJKSA-N -1 0 405.414 2.913 50 0 HFAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000013040248 558506769 /nfs/dbraw/zinc/50/67/69/558506769.db2.gz JKXKGJCNOPIQCE-CYBMUJFWSA-N -1 0 419.503 2.983 50 0 HFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccco2)o1 ZINC000013415699 558532135 /nfs/dbraw/zinc/53/21/35/558532135.db2.gz TXDSMGATPQGQJU-CQSZACIVSA-N -1 0 412.427 2.715 50 0 HFAARM COc1ccccc1CCNC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013734080 558587738 /nfs/dbraw/zinc/58/77/38/558587738.db2.gz NJFHPMDVPQNGLD-UHFFFAOYSA-N -1 0 405.501 2.649 50 0 HFAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000024896058 558619537 /nfs/dbraw/zinc/61/95/37/558619537.db2.gz KFOQBRGJMBCVSZ-UHFFFAOYSA-N -1 0 415.500 2.652 50 0 HFAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C(=O)N1CCCC1 ZINC000016650978 558798074 /nfs/dbraw/zinc/79/80/74/558798074.db2.gz KLNDTBIIFVXEGY-UHFFFAOYSA-N -1 0 419.528 2.544 50 0 HFAARM Cc1ccccc1Cc1nnc(SCC(=O)NC(=O)Nc2ccccc2)[n-]c1=O ZINC000036646246 558800863 /nfs/dbraw/zinc/80/08/63/558800863.db2.gz QAMQRKDBIUJIPI-UHFFFAOYSA-N -1 0 409.471 2.917 50 0 HFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000017092275 558820689 /nfs/dbraw/zinc/82/06/89/558820689.db2.gz NBOUAFWGZWAPKT-UONOGXRCSA-N -1 0 420.531 2.929 50 0 HFAARM O=C(Cn1c([O-])nc2c(-c3ccccc3F)c[nH]c2c1=O)NCCCc1ccccc1 ZINC000033038107 558862637 /nfs/dbraw/zinc/86/26/37/558862637.db2.gz IHNRTHPSXLSODU-UHFFFAOYSA-N -1 0 420.444 2.985 50 0 HFAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000033048573 558886079 /nfs/dbraw/zinc/88/60/79/558886079.db2.gz GHHLXJIVWAEIJV-UHFFFAOYSA-N -1 0 416.438 2.761 50 0 HFAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071479683 558902352 /nfs/dbraw/zinc/90/23/52/558902352.db2.gz QCYMZNMRTGKJMU-UHFFFAOYSA-N -1 0 407.469 2.518 50 0 HFAARM CCS(=O)(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033253233 558921320 /nfs/dbraw/zinc/92/13/20/558921320.db2.gz XRSBVUNBNFEXGW-UHFFFAOYSA-N -1 0 421.494 2.608 50 0 HFAARM COCC1(C(=O)N2CCc3c(c(C(=O)[O-])nn3CCCc3ccccc3)C2)CCC1 ZINC000067886520 558994317 /nfs/dbraw/zinc/99/43/17/558994317.db2.gz XPWHJIQGRPOCSZ-UHFFFAOYSA-N -1 0 411.502 2.916 50 0 HFAARM Cn1cc(-c2nnc([N-]S(=O)(=O)c3ccc(SC(F)(F)F)cc3)o2)cn1 ZINC000097117164 558996094 /nfs/dbraw/zinc/99/60/94/558996094.db2.gz VYTPCFSDGOYVHM-UHFFFAOYSA-N -1 0 405.383 2.883 50 0 HFAARM CCCCOCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2C1 ZINC000077341452 559001785 /nfs/dbraw/zinc/00/17/85/559001785.db2.gz KAPDMBIYQLJRNO-UHFFFAOYSA-N -1 0 403.504 2.584 50 0 HFAARM Cc1nc2sc([C@@H](c3ccco3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000023158158 559022660 /nfs/dbraw/zinc/02/26/60/559022660.db2.gz KWUALKPOAHNFNY-OAHLLOKOSA-N -1 0 413.459 2.538 50 0 HFAARM Cc1ccccc1[C@H](NC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1)c1ccncc1 ZINC000095352858 559079646 /nfs/dbraw/zinc/07/96/46/559079646.db2.gz QWTZPELLUASHMS-OAQYLSRUSA-N -1 0 400.438 2.966 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1 ZINC000100033225 559128911 /nfs/dbraw/zinc/12/89/11/559128911.db2.gz KOEBLDDEGBTUMX-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000004992517 559225291 /nfs/dbraw/zinc/22/52/91/559225291.db2.gz GVECEMZBMJPQBB-UXHICEINSA-N -1 0 405.458 2.743 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(F)cc1F ZINC000100707135 559259294 /nfs/dbraw/zinc/25/92/94/559259294.db2.gz KQCNUFLINZLVFO-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM COc1cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2cc1OC ZINC000238881753 559271599 /nfs/dbraw/zinc/27/15/99/559271599.db2.gz BFVQRTZFQMHSTN-HDJSIYSDSA-N -1 0 417.458 2.668 50 0 biogenic HFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005250695 560551309 /nfs/dbraw/zinc/55/13/09/560551309.db2.gz ZEMFHPSOQCHCKN-UHFFFAOYSA-N -1 0 414.480 2.565 50 0 HFAARM COc1ccc(OC)c(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000101046285 560767694 /nfs/dbraw/zinc/76/76/94/560767694.db2.gz XYQFHGWARHKVKS-UHFFFAOYSA-N -1 0 405.476 2.812 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(C)c1 ZINC000018180341 560781748 /nfs/dbraw/zinc/78/17/48/560781748.db2.gz BQDMSBQEANHAGJ-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1 ZINC000101168405 560787518 /nfs/dbraw/zinc/78/75/18/560787518.db2.gz SREMPAPMIXZUDN-RTBURBONSA-N -1 0 409.421 2.881 50 0 HFAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)c1 ZINC000101168620 560787551 /nfs/dbraw/zinc/78/75/51/560787551.db2.gz MWCYDCOQOYKKNJ-IRXDYDNUSA-N -1 0 400.822 2.851 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000101169049 560787653 /nfs/dbraw/zinc/78/76/53/560787653.db2.gz MPQIOQFGKWPURS-MSOLQXFVSA-N -1 0 413.384 2.514 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1C ZINC000101277553 560790347 /nfs/dbraw/zinc/79/03/47/560790347.db2.gz OQOMHILHMYRJPH-MSOLQXFVSA-N -1 0 402.414 2.847 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000101416332 560794596 /nfs/dbraw/zinc/79/45/96/560794596.db2.gz LGDXRHCKEQCRIU-ZWKOTPCHSA-N -1 0 411.849 2.834 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000101416791 560794652 /nfs/dbraw/zinc/79/46/52/560794652.db2.gz GVECEMZBMJPQBB-WOJBJXKFSA-N -1 0 405.458 2.743 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000101416723 560794692 /nfs/dbraw/zinc/79/46/92/560794692.db2.gz UAUNNBZTMACTJF-VQTJNVASSA-N -1 0 405.458 2.798 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1 ZINC000101892717 560804458 /nfs/dbraw/zinc/80/44/58/560804458.db2.gz IIIZRBXPMMQJSA-ROUUACIJSA-N -1 0 418.413 2.547 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(Cl)cc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893838 560804552 /nfs/dbraw/zinc/80/45/52/560804552.db2.gz SYCNNYUQJCCCED-HOTGVXAUSA-N -1 0 408.805 2.883 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1 ZINC000101893759 560804564 /nfs/dbraw/zinc/80/45/64/560804564.db2.gz LBAZLUOBKMHOIB-MSOLQXFVSA-N -1 0 402.414 2.847 50 0 HFAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2[n-]c1=S ZINC000102181983 560808480 /nfs/dbraw/zinc/80/84/80/560808480.db2.gz RQABHDBGGJFMPO-ZDUSSCGKSA-N -1 0 420.498 2.777 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)no1 ZINC000102289361 560809672 /nfs/dbraw/zinc/80/96/72/560809672.db2.gz DQIDRXCIXVVXDL-HZPDHXFCSA-N -1 0 417.487 2.767 50 0 HFAARM Cc1sc2nc(C)n([N-]C(=O)c3nn(C)c(C)c3Br)c(=O)c2c1C ZINC000002776710 560885479 /nfs/dbraw/zinc/88/54/79/560885479.db2.gz PVOJZBRIKXYSFA-UHFFFAOYSA-N -1 0 410.297 2.572 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000012068188 560888251 /nfs/dbraw/zinc/88/82/51/560888251.db2.gz RYWKUQHAZMPVSU-UHFFFAOYSA-N -1 0 402.472 2.804 50 0 HFAARM Cc1cc(C)nc([N-]c2nc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cs2)n1 ZINC000049032318 568445923 /nfs/dbraw/zinc/44/59/23/568445923.db2.gz NWOJJLKKVWYOST-UHFFFAOYSA-N -1 0 418.504 2.917 50 0 HFAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1F ZINC000006800749 568459664 /nfs/dbraw/zinc/45/96/64/568459664.db2.gz ACDAMSCZGQCUPA-UHFFFAOYSA-N -1 0 401.334 2.901 50 0 HFAARM COC(=O)C[C@H](c1ccc(C(F)(F)F)cc1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000218140200 568475825 /nfs/dbraw/zinc/47/58/25/568475825.db2.gz HBVZGTTXTUDVQE-CYBMUJFWSA-N -1 0 413.348 2.661 50 0 HFAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000675168 568602347 /nfs/dbraw/zinc/60/23/47/568602347.db2.gz ATQIMNBARIFWDI-ZWKOTPCHSA-N -1 0 408.520 2.937 50 0 HFAARM COC(=O)C[C@H](c1cccc2nccnc21)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096232725 568708283 /nfs/dbraw/zinc/70/82/83/568708283.db2.gz XRUVSJOMNDBQCF-CYBMUJFWSA-N -1 0 410.817 2.692 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2cccc(Cl)c2)cc1 ZINC000096361270 568739362 /nfs/dbraw/zinc/73/93/62/568739362.db2.gz IWYMIXQUVVYHJH-UHFFFAOYSA-N -1 0 420.878 2.803 50 0 HFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000018996231 568745084 /nfs/dbraw/zinc/74/50/84/568745084.db2.gz HFGVVIUOISWMGP-UHFFFAOYSA-N -1 0 400.412 2.609 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1C ZINC000096458329 568753986 /nfs/dbraw/zinc/75/39/86/568753986.db2.gz AKAJWZOCIGSRHT-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccc(OC)c2)cc1 ZINC000086066723 568755204 /nfs/dbraw/zinc/75/52/04/568755204.db2.gz YSOVAFCTNFYPGJ-UHFFFAOYSA-N -1 0 419.441 2.590 50 0 HFAARM CCOC(=O)CCc1c(C)nc2c(C(=O)Nc3ccc(Cl)cc3)c[n-]n2c1=O ZINC000021883636 568758082 /nfs/dbraw/zinc/75/80/82/568758082.db2.gz ITVBMEDDRBFMQG-UHFFFAOYSA-N -1 0 402.838 2.732 50 0 HFAARM CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578133 568770251 /nfs/dbraw/zinc/77/02/51/568770251.db2.gz UMRVLEMXRKIHRV-KRWDZBQOSA-N -1 0 401.536 2.794 50 0 HFAARM O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(Br)cc1 ZINC000225636794 568777776 /nfs/dbraw/zinc/77/77/76/568777776.db2.gz IMQBIJARWCLCIN-OAHLLOKOSA-N -1 0 403.232 2.899 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc4ccccc43)c(=O)c1=2)Nc1cccc(F)c1 ZINC000002787265 568808997 /nfs/dbraw/zinc/80/89/97/568808997.db2.gz WNZUJUXVBMROAU-WOJBJXKFSA-N -1 0 417.400 2.911 50 0 HFAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2ccccc2Cl)n1 ZINC000002804386 568811519 /nfs/dbraw/zinc/81/15/19/568811519.db2.gz XLGKVUUCIYHCMY-UHFFFAOYSA-N -1 0 416.841 2.989 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012521441 568841899 /nfs/dbraw/zinc/84/18/99/568841899.db2.gz VGSCDEIIOFAFAI-GASCZTMLSA-N -1 0 404.488 2.745 50 0 HFAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(I)c2)c1 ZINC000012526102 568843075 /nfs/dbraw/zinc/84/30/75/568843075.db2.gz YBCWYFSBHGNTPB-UHFFFAOYSA-N -1 0 403.197 2.790 50 0 HFAARM CCC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012526258 568843218 /nfs/dbraw/zinc/84/32/18/568843218.db2.gz GPSKUSQBNCWQSP-GFCCVEGCSA-N -1 0 402.476 2.575 50 0 HFAARM Cc1ccc(S(=O)(=O)NCCCC[C@@H](NC(=O)Oc2ccccc2)C(=O)[O-])cc1 ZINC000670427549 568843872 /nfs/dbraw/zinc/84/38/72/568843872.db2.gz MKMSCKCPIKRVQP-GOSISDBHSA-N -1 0 420.487 2.685 50 0 HFAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H]1CCCCNC1=O ZINC000012536216 568845468 /nfs/dbraw/zinc/84/54/68/568845468.db2.gz DBWGWKYGKSXPJL-QGZVFWFLSA-N -1 0 420.462 2.760 50 0 HFAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1 ZINC000230156740 568852986 /nfs/dbraw/zinc/85/29/86/568852986.db2.gz CZFOYYLZIKOPQH-PGRDOPGGSA-N -1 0 407.495 2.742 50 0 HFAARM CCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H](CC)C(=O)[O-])c12)OC(C)(C)CC3 ZINC000004090577 568942034 /nfs/dbraw/zinc/94/20/34/568942034.db2.gz BTJPYYOCXCJPLH-CQSZACIVSA-N -1 0 417.458 2.817 50 0 biogenic HFAARM CCCCCn1c(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2[n-]c1=S ZINC000004192286 568950471 /nfs/dbraw/zinc/95/04/71/568950471.db2.gz QMVCMORNASIQFA-UHFFFAOYSA-N -1 0 416.547 2.992 50 0 HFAARM O=C([O-])Cn1c(SCC(=O)NCCc2cccs2)nnc1-c1cccs1 ZINC000012779002 568956523 /nfs/dbraw/zinc/95/65/23/568956523.db2.gz TXMOELFNAJYATN-UHFFFAOYSA-N -1 0 408.530 2.604 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c(OC)c1 ZINC000015669286 568961020 /nfs/dbraw/zinc/96/10/20/568961020.db2.gz UAANLCPQJWZPME-UHFFFAOYSA-N -1 0 401.444 2.563 50 0 HFAARM O=C([O-])Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000049592521 569019057 /nfs/dbraw/zinc/01/90/57/569019057.db2.gz GUAFCLIHFBBOES-UHFFFAOYSA-N -1 0 414.936 2.535 50 0 HFAARM CCCNc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000026540825 569032983 /nfs/dbraw/zinc/03/29/83/569032983.db2.gz CLKIFUPZSPXVLC-UHFFFAOYSA-N -1 0 403.551 2.635 50 0 HFAARM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000035378126 569034314 /nfs/dbraw/zinc/03/43/14/569034314.db2.gz LPILOVFAXQHNBS-UHFFFAOYSA-N -1 0 415.471 2.817 50 0 HFAARM C[C@@H](NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000006468815 569057997 /nfs/dbraw/zinc/05/79/97/569057997.db2.gz JZGJQXHPIVCXDD-TWLOVUBOSA-N -1 0 409.486 2.816 50 0 HFAARM CCn1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)n1 ZINC000006490164 569059686 /nfs/dbraw/zinc/05/96/86/569059686.db2.gz ILTWEKZMISJMBQ-DNDXXGFKSA-N -1 0 402.495 2.651 50 0 HFAARM COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)cc1 ZINC000006577715 569066911 /nfs/dbraw/zinc/06/69/11/569066911.db2.gz UCEDBOMDKHNICG-UHFFFAOYSA-N -1 0 421.482 2.536 50 0 aggregator HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000064565368 569067052 /nfs/dbraw/zinc/06/70/52/569067052.db2.gz XZRUOEKFEFOONB-CVEARBPZSA-N -1 0 408.805 2.883 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1 ZINC000064565392 569067065 /nfs/dbraw/zinc/06/70/65/569067065.db2.gz IIIZRBXPMMQJSA-MSOLQXFVSA-N -1 0 418.413 2.547 50 0 HFAARM COc1ccccc1C(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1ccc(F)cc1 ZINC000064580110 569068426 /nfs/dbraw/zinc/06/84/26/569068426.db2.gz CHJJNNYLVYZSSW-UHFFFAOYSA-N -1 0 407.405 2.721 50 0 HFAARM CCCCC(=O)Nc1ccc(N2CCN(CC(=O)N(CC)CC)CC2)cc1C(=O)[O-] ZINC000064589767 569069033 /nfs/dbraw/zinc/06/90/33/569069033.db2.gz XKEFWCCUWRIPBR-UHFFFAOYSA-N -1 0 418.538 2.504 50 0 HFAARM COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])C1=O ZINC000006660729 569084923 /nfs/dbraw/zinc/08/49/23/569084923.db2.gz BYMUTIVKYQYJLR-IZCBMXNHSA-N -1 0 418.471 2.587 50 0 HFAARM Cc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)s1 ZINC000006748114 569108566 /nfs/dbraw/zinc/10/85/66/569108566.db2.gz CPUWWLJPNWKXPE-UHFFFAOYSA-N -1 0 409.880 2.516 50 0 HFAARM CN1CC[NH+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036357155 569148829 /nfs/dbraw/zinc/14/88/29/569148829.db2.gz GBJRXMIVLUYICG-NRFANRHFSA-N -1 0 407.470 2.761 50 0 HFAARM COc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c1 ZINC000036360805 569151976 /nfs/dbraw/zinc/15/19/76/569151976.db2.gz AZEBGISFRGHEPZ-OAQYLSRUSA-N -1 0 423.469 2.833 50 0 HFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)c2ccc(F)cc21 ZINC000036364963 569152581 /nfs/dbraw/zinc/15/25/81/569152581.db2.gz MYTNWAQCFUBBLH-NRFANRHFSA-N -1 0 411.433 2.813 50 0 HFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000006866479 569159151 /nfs/dbraw/zinc/15/91/51/569159151.db2.gz AGMSNXVASJGYJC-CYBMUJFWSA-N -1 0 414.483 2.962 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)ccc1Br ZINC000006887551 569170783 /nfs/dbraw/zinc/17/07/83/569170783.db2.gz BAIOJQDGEOXPCZ-UHFFFAOYSA-N -1 0 410.249 2.902 50 0 HFAARM O=C(NCc1cc(F)cc(F)c1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249878 569205892 /nfs/dbraw/zinc/20/58/92/569205892.db2.gz BXMHIPKZGDUMQL-UHFFFAOYSA-N -1 0 410.380 2.687 50 0 HFAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)NCc2cc(F)cc(F)c2)c3[O-])c1 ZINC000065249923 569205961 /nfs/dbraw/zinc/20/59/61/569205961.db2.gz JYQGJWVXQAGYIS-UHFFFAOYSA-N -1 0 410.380 2.936 50 0 HFAARM C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000007054466 569214420 /nfs/dbraw/zinc/21/44/20/569214420.db2.gz VPCSZWJWEFBLGT-ZDUSSCGKSA-N -1 0 400.547 2.970 50 0 HFAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000007421294 569237604 /nfs/dbraw/zinc/23/76/04/569237604.db2.gz PAAORYFLBRPKHG-CYBMUJFWSA-N -1 0 401.488 2.900 50 0 HFAARM COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000170606235 569244365 /nfs/dbraw/zinc/24/43/65/569244365.db2.gz RTCFOUFFZXNDFM-AWEZNQCLSA-N -1 0 414.227 2.774 50 0 HFAARM Cc1c(O)ccc2c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)cc(=O)oc12 ZINC000002100615 569281374 /nfs/dbraw/zinc/28/13/74/569281374.db2.gz DGAGDTLLKNNZJG-UHFFFAOYSA-N -1 0 421.449 2.995 50 0 biogenic HFAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CCSC)C(=O)[O-])c12 ZINC000002120049 569284910 /nfs/dbraw/zinc/28/49/10/569284910.db2.gz GJLYRVSNVHFNGA-AWEZNQCLSA-N -1 0 407.488 2.755 50 0 biogenic HFAARM CCSCC[C@@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002124709 569286122 /nfs/dbraw/zinc/28/61/22/569286122.db2.gz YLRRRDHJPVFUNI-OAHLLOKOSA-N -1 0 407.488 2.761 50 0 biogenic HFAARM COc1ccc([C@H](CC(=O)NC(C)C)c2c([O-])cc(C)oc2=O)c(OC)c1OC ZINC000253412868 569366754 /nfs/dbraw/zinc/36/67/54/569366754.db2.gz SIEYBPSSPKBDFI-AWEZNQCLSA-N -1 0 405.447 2.726 50 0 biogenic HFAARM CN1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccccc2OC(F)(F)F)CC1 ZINC000252497046 569387638 /nfs/dbraw/zinc/38/76/38/569387638.db2.gz PXXVXFXDYKMCFD-CYBMUJFWSA-N -1 0 413.425 2.732 50 0 HFAARM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(S(=O)(=O)NC)cc3)ccc2[nH]1 ZINC000079047627 569425310 /nfs/dbraw/zinc/42/53/10/569425310.db2.gz ZXXHXKQOLMMQCW-UHFFFAOYSA-N -1 0 422.532 2.614 50 0 HFAARM CC(=O)N1NC(=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C[C@@H]1c1cccs1 ZINC000009042979 571215208 /nfs/dbraw/zinc/21/52/08/571215208.db2.gz DQAROBPQAVNMBT-ARSNJYAISA-N -1 0 410.455 2.919 50 0 HFAARM COc1cc(C)cc2oc(=O)c(CC(=O)Nc3nc(CC(=O)[O-])cs3)c(C)c12 ZINC000009052533 571216476 /nfs/dbraw/zinc/21/64/76/571216476.db2.gz XDTNNXLISJDNLN-UHFFFAOYSA-N -1 0 402.428 2.683 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)CCC3=O)ccc2OC)cc1 ZINC000009338425 571249468 /nfs/dbraw/zinc/24/94/68/571249468.db2.gz PUBMXFVXZLDHLV-UHFFFAOYSA-N -1 0 404.444 2.548 50 0 HFAARM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000009578492 571270043 /nfs/dbraw/zinc/27/00/43/571270043.db2.gz BWALGCCZCXKBSU-UHFFFAOYSA-N -1 0 412.851 2.894 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000009675150 571278878 /nfs/dbraw/zinc/27/88/78/571278878.db2.gz GCJBHWXQAUVLGF-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)n1C ZINC000009685219 571279674 /nfs/dbraw/zinc/27/96/74/571279674.db2.gz XGWZYZAPZOMZMO-UHFFFAOYSA-N -1 0 419.547 2.840 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(SC)c4)c=3c2=O)cc1 ZINC000009835925 571287867 /nfs/dbraw/zinc/28/78/67/571287867.db2.gz SBFHXYGHTYLAIP-RTBURBONSA-N -1 0 423.498 2.903 50 0 HFAARM CCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000010213412 571296577 /nfs/dbraw/zinc/29/65/77/571296577.db2.gz KSSOXPWKXILLBJ-UHFFFAOYSA-N -1 0 407.477 2.758 50 0 HFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCc2cc(Br)ccc21 ZINC000071833041 571302867 /nfs/dbraw/zinc/30/28/67/571302867.db2.gz JCXNCLTVWIZCIC-UHFFFAOYSA-N -1 0 412.261 2.907 50 0 HFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000005099705 132301276 /nfs/dbraw/zinc/30/12/76/132301276.db2.gz BUMMZGJMQHAJOG-UHFFFAOYSA-N -1 0 410.517 2.517 50 0 HFAARM COc1cc(CNC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(OC)c1 ZINC000006188027 132309498 /nfs/dbraw/zinc/30/94/98/132309498.db2.gz MSMHJRHASUAZAA-RGEXLXHISA-N -1 0 409.442 2.659 50 0 HFAARM CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000009042551 132335040 /nfs/dbraw/zinc/33/50/40/132335040.db2.gz JTYNHVNTPCNIHJ-RBUKOAKNSA-N -1 0 424.457 2.771 50 0 HFAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Br)CCCC3 ZINC000000651008 557038604 /nfs/dbraw/zinc/03/86/04/557038604.db2.gz LUIMTQRUOVSPMU-UHFFFAOYSA-N -1 0 422.308 2.525 50 0 HFAARM CCN1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c3cccc(c23)C1=O ZINC000000816449 557091048 /nfs/dbraw/zinc/09/10/48/557091048.db2.gz TXSBMLZDZBAKCN-QGZVFWFLSA-N -1 0 424.478 2.794 50 0 HFAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCOCC2)cc1OC ZINC000022626688 557107120 /nfs/dbraw/zinc/10/71/20/557107120.db2.gz LFCFFCOQOLQFAB-INIZCTEOSA-N -1 0 404.492 2.634 50 0 HFAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC(O)CC2)cc1OC ZINC000022627620 557113679 /nfs/dbraw/zinc/11/36/79/557113679.db2.gz FIGHONGBYOLYCB-KRWDZBQOSA-N -1 0 418.519 2.758 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)no1 ZINC000001027615 557145579 /nfs/dbraw/zinc/14/55/79/557145579.db2.gz FZLKENUNCCYENE-UHFFFAOYSA-N -1 0 407.473 2.893 50 0 HFAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)cc1 ZINC000001160418 557217850 /nfs/dbraw/zinc/21/78/50/557217850.db2.gz ODTHNGWRKBJSSN-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM CCOC(=O)CC(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000001225578 557248796 /nfs/dbraw/zinc/24/87/96/557248796.db2.gz LGESPLVFGQXPFL-UHFFFAOYSA-N -1 0 409.030 2.802 50 0 HFAARM CC(=O)NCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002391133 557343721 /nfs/dbraw/zinc/34/37/21/557343721.db2.gz CSMYOORPUGPKAP-IBGZPJMESA-N -1 0 414.483 2.805 50 0 HFAARM CCOC(=O)[C@@]([N-]c1ncccn1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103405 557446776 /nfs/dbraw/zinc/44/67/76/557446776.db2.gz SEPGRUHGERDJLQ-HNNXBMFYSA-N -1 0 402.760 2.794 50 0 HFAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCc1ccccn1 ZINC000034767569 557462774 /nfs/dbraw/zinc/46/27/74/557462774.db2.gz XVEZLRHUZIUXGL-UHFFFAOYSA-N -1 0 403.364 2.907 50 0 HFAARM O=C([N-]n1cc(C(=O)Nc2ccc(F)cc2F)c2ccccc2c1=O)c1cnccn1 ZINC000004757285 557594588 /nfs/dbraw/zinc/59/45/88/557594588.db2.gz OCVPIESORLCXCP-UHFFFAOYSA-N -1 0 421.363 2.706 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccccc1 ZINC000002785887 557759046 /nfs/dbraw/zinc/75/90/46/557759046.db2.gz ZPXKNIORQOXHPT-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1c(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)nn1C ZINC000002777659 557760985 /nfs/dbraw/zinc/76/09/85/557760985.db2.gz HAJJTWOJEJNYNS-MRVPVSSYSA-N -1 0 405.911 2.970 50 0 HFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000002804103 557763247 /nfs/dbraw/zinc/76/32/47/557763247.db2.gz KMKVSUGSCGYISJ-UHFFFAOYSA-N -1 0 401.279 2.774 50 0 HFAARM CCOc1ccc(Cn2cc([N-]S(=O)(=O)c3c(C)n[nH]c3C)cn2)cc1OCC ZINC000002805112 557763767 /nfs/dbraw/zinc/76/37/67/557763767.db2.gz KONXNRCLZWLLDV-UHFFFAOYSA-N -1 0 419.507 2.870 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C ZINC000009356051 557838811 /nfs/dbraw/zinc/83/88/11/557838811.db2.gz HCYYPZPHTUVAKB-HNNXBMFYSA-N -1 0 404.488 2.713 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4)c=3c2=O)cc1Cl ZINC000009748357 557849366 /nfs/dbraw/zinc/84/93/66/557849366.db2.gz CJDOBEKZPUNZQL-DLBZAZTESA-N -1 0 415.812 2.719 50 0 HFAARM [O-]C(c1cccs1)=C1[C@@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000011990814 558306418 /nfs/dbraw/zinc/30/64/18/558306418.db2.gz QGHBCPORZJWTGN-YWPYICTPSA-N -1 0 402.419 2.723 50 0 HFAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000020331601 558355950 /nfs/dbraw/zinc/35/59/50/558355950.db2.gz WUAQQLKZLBTOKE-HNENSFHCSA-N -1 0 415.490 2.869 50 0 HFAARM COCCOc1cc(NS(=O)(=O)c2ccc(F)cc2C)c(C(=O)[O-])cc1OC ZINC000012630441 558441628 /nfs/dbraw/zinc/44/16/28/558441628.db2.gz YQLQIRWWTMZMQA-UHFFFAOYSA-N -1 0 413.423 2.667 50 0 HFAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000013002776 558501096 /nfs/dbraw/zinc/50/10/96/558501096.db2.gz YXJCJVHVFFEZGH-IAGOWNOFSA-N -1 0 406.504 2.775 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000022960686 558528028 /nfs/dbraw/zinc/52/80/28/558528028.db2.gz BAZIKIBAAHOQAA-HUUCEWRRSA-N -1 0 404.488 2.745 50 0 HFAARM CCOc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000004435211 558558324 /nfs/dbraw/zinc/55/83/24/558558324.db2.gz BPLQQECAZCKOIZ-VXKWHMMOSA-N -1 0 424.497 2.783 50 0 HFAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)c1 ZINC000024259101 558593350 /nfs/dbraw/zinc/59/33/50/558593350.db2.gz PXEVUNBZJZWRPU-UHFFFAOYSA-N -1 0 410.879 2.764 50 0 HFAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)c1Cl ZINC000026536989 558662679 /nfs/dbraw/zinc/66/26/79/558662679.db2.gz AZYJQYOTPVFBHV-UHFFFAOYSA-N -1 0 406.899 2.859 50 0 HFAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)C1 ZINC000016480446 558794034 /nfs/dbraw/zinc/79/40/34/558794034.db2.gz QSYCNTMPHIJYFN-OLMNPRSZSA-N -1 0 406.504 2.713 50 0 HFAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)N2CCCCC2)C1 ZINC000017088013 558816771 /nfs/dbraw/zinc/81/67/71/558816771.db2.gz OLMAYDNQMPMXLJ-CYBMUJFWSA-N -1 0 408.520 2.929 50 0 HFAARM O=C([O-])CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCS(=O)(=O)C1 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CN1C(=O)N[C@H](c2ccc(O)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004100620 568942602 /nfs/dbraw/zinc/94/26/02/568942602.db2.gz QFDNUFFOHGSKGW-IOASZLSFSA-N -1 0 400.378 2.900 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)c1 ZINC000004270432 568956755 /nfs/dbraw/zinc/95/67/55/568956755.db2.gz HNMWFFKFLOCFEW-LBPRGKRZSA-N -1 0 402.472 2.901 50 0 HFAARM CC(C)NC(=O)c1cccc2c1CCCN2S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012916243 569022553 /nfs/dbraw/zinc/02/25/53/569022553.db2.gz HCDHCONCPNQLKN-UHFFFAOYSA-N -1 0 408.501 2.726 50 0 HFAARM COc1ccc(OCCS(=O)(=O)[N-]c2cc(OCc3ccccc3)ncn2)cc1 ZINC000090593557 569041601 /nfs/dbraw/zinc/04/16/01/569041601.db2.gz RODDFOWVWZCNNZ-UHFFFAOYSA-N -1 0 415.471 2.885 50 0 HFAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H]2CCOC2=O)c(C)c1 ZINC000006404219 569046448 /nfs/dbraw/zinc/04/64/48/569046448.db2.gz UCGXNFDRIWSYLM-KRWDZBQOSA-N -1 0 403.456 2.885 50 0 HFAARM CCOC(=O)N[C@]([N-]c1nnc(SCC)s1)(C(=O)OCC)C(F)(F)F ZINC000071416801 569048445 /nfs/dbraw/zinc/04/84/45/569048445.db2.gz PSGZFECETNSKKX-LLVKDONJSA-N -1 0 402.420 2.630 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3cccc(Br)c23)cc1 ZINC000089453909 569060627 /nfs/dbraw/zinc/06/06/27/569060627.db2.gz KUTFFJZUYBLEAS-UHFFFAOYSA-N -1 0 423.288 2.987 50 0 HFAARM O=C([O-])[C@@H](NC(=O)Cc1ccccc1)[C@H](O)c1ccc(N=Cc2ccccc2O)cc1 ZINC000252639025 569061032 /nfs/dbraw/zinc/06/10/32/569061032.db2.gz YHIUHAZYYVUUBO-XZOQPEGZSA-N -1 0 418.449 2.988 50 0 HFAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C(=O)OC)c1C ZINC000006626412 569075952 /nfs/dbraw/zinc/07/59/52/569075952.db2.gz PQWOEQFQRODLGF-UHFFFAOYSA-N -1 0 405.400 2.709 50 0 HFAARM COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N2CCCC[C@H]2C(=O)[O-])C1=O ZINC000006660730 569084837 /nfs/dbraw/zinc/08/48/37/569084837.db2.gz BYMUTIVKYQYJLR-QXPQOBGOSA-N -1 0 418.471 2.587 50 0 HFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1OC ZINC000064837096 569105001 /nfs/dbraw/zinc/10/50/01/569105001.db2.gz XUELMBCLVKJSDK-UHFFFAOYSA-N -1 0 421.862 2.908 50 0 HFAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)[O-] ZINC000036360952 569152103 /nfs/dbraw/zinc/15/21/03/569152103.db2.gz IDHFXTGKRMMDPW-KRWDZBQOSA-N -1 0 417.462 2.555 50 0 HFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866481 569159184 /nfs/dbraw/zinc/15/91/84/569159184.db2.gz AGMSNXVASJGYJC-ZDUSSCGKSA-N -1 0 414.483 2.962 50 0 HFAARM CCCNC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000006888080 569171462 /nfs/dbraw/zinc/17/14/62/569171462.db2.gz WVYPWNKSWSOLQJ-UHFFFAOYSA-N -1 0 408.451 2.618 50 0 HFAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)cc1 ZINC000065194142 569192638 /nfs/dbraw/zinc/19/26/38/569192638.db2.gz VIEMZWAQLOBOOB-UHFFFAOYSA-N -1 0 404.448 2.588 50 0 HFAARM COc1ccc(OC)c(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)c1 ZINC000065249944 569205905 /nfs/dbraw/zinc/20/59/05/569205905.db2.gz SGUNLILMRSEJGJ-UHFFFAOYSA-N -1 0 424.388 2.828 50 0 HFAARM COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000170606234 569244379 /nfs/dbraw/zinc/24/43/79/569244379.db2.gz RTCFOUFFZXNDFM-CQSZACIVSA-N -1 0 414.227 2.774 50 0 HFAARM O=C([C@@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000013696667 569257207 /nfs/dbraw/zinc/25/72/07/569257207.db2.gz AOLCZTYOQFPXPM-KRWDZBQOSA-N -1 0 408.426 2.834 50 0 HFAARM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1O ZINC000238937384 569281989 /nfs/dbraw/zinc/28/19/89/569281989.db2.gz UYRFCBZILYXXIW-DVOMOZLQSA-N -1 0 416.377 2.566 50 0 HFAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-])ccc12 ZINC000002121334 569285518 /nfs/dbraw/zinc/28/55/18/569285518.db2.gz MKORPNYEWKCLCO-LRDDRELGSA-N -1 0 407.488 2.835 50 0 biogenic HFAARM Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(C)c2oc1=O ZINC000002146213 569289642 /nfs/dbraw/zinc/28/96/42/569289642.db2.gz FZFXLDOJMPEGQQ-SFHVURJKSA-N -1 0 409.438 2.909 50 0 biogenic HFAARM COc1cc(OC)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1Br ZINC000170650703 569292381 /nfs/dbraw/zinc/29/23/81/569292381.db2.gz FXWKIWREGQGCQH-UHFFFAOYSA-N -1 0 416.249 2.965 50 0 HFAARM CSCC[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002275199 569327737 /nfs/dbraw/zinc/32/77/37/569327737.db2.gz QBEMGDFNCGVUTQ-XIDKLXSXSA-N -1 0 416.474 2.919 50 0 HFAARM CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000072330336 569352541 /nfs/dbraw/zinc/35/25/41/569352541.db2.gz FRRZIPPXTFWZML-MRMMCGRZSA-N -1 0 402.487 2.850 50 0 biogenic HFAARM C[C@@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)[S-] ZINC000034272188 569357984 /nfs/dbraw/zinc/35/79/84/569357984.db2.gz GLAJUXBOZSWZMM-RTRVIDFMSA-N -1 0 412.498 2.739 50 0 HFAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccccc1I ZINC000002297243 569369597 /nfs/dbraw/zinc/36/95/97/569369597.db2.gz HXQQFQMDFPILRO-ZIAGYGMSSA-N -1 0 418.194 2.789 50 0 HFAARM O=C([O-])CCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000002333923 569375107 /nfs/dbraw/zinc/37/51/07/569375107.db2.gz KUMJNYJUSKZNIK-FOWTUZBSSA-N -1 0 417.259 2.811 50 0 HFAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)Nc1ccc(Br)cc1 ZINC000002373949 569389235 /nfs/dbraw/zinc/38/92/35/569389235.db2.gz GNENOBJIWBUALL-UHFFFAOYSA-N -1 0 408.233 2.885 50 0 HFAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1F ZINC000078902659 569421514 /nfs/dbraw/zinc/42/15/14/569421514.db2.gz AXPCHVAYWUKQJH-UHFFFAOYSA-N -1 0 414.842 2.815 50 0 HFAARM COc1ccc(S(=O)(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000079001707 569423562 /nfs/dbraw/zinc/42/35/62/569423562.db2.gz GEGGAMGRJWEGCX-SANMLTNESA-N -1 0 423.390 2.822 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(F)c5)c(=O)c3=4)n2)cc1 ZINC000038652425 571052086 /nfs/dbraw/zinc/05/20/86/571052086.db2.gz INOYWDZQCWKRNF-IAGOWNOFSA-N -1 0 424.367 2.817 50 0 HFAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008694587 571102334 /nfs/dbraw/zinc/10/23/34/571102334.db2.gz QUCCZQOGHQTQKT-AUSIDOKSSA-N -1 0 419.437 2.600 50 0 HFAARM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(CCc2ccccc2)c1[O-] ZINC000009360643 571251576 /nfs/dbraw/zinc/25/15/76/571251576.db2.gz SIMVHTLRSDORIM-OAQYLSRUSA-N -1 0 416.481 2.544 50 0 biogenic HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cc(F)ccc1F ZINC000009674573 571278835 /nfs/dbraw/zinc/27/88/35/571278835.db2.gz RNOLZPHIRDYQBX-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000009674886 571278884 /nfs/dbraw/zinc/27/88/84/571278884.db2.gz GQRFTTNITNPGME-IRXDYDNUSA-N -1 0 415.812 2.719 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCc1ccccn1 ZINC000009818670 571286202 /nfs/dbraw/zinc/28/62/02/571286202.db2.gz CRFVAXPCWOGDFZ-UHFFFAOYSA-N -1 0 422.919 2.851 50 0 HFAARM CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C1=O ZINC000009907496 571290023 /nfs/dbraw/zinc/29/00/23/571290023.db2.gz DXLRWLJMFVITTR-IZZDOVSWSA-N -1 0 417.643 2.869 50 0 HFAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(=O)n(C)n2)c1 ZINC000010324821 571300336 /nfs/dbraw/zinc/30/03/36/571300336.db2.gz QXFFFVFIOKNSNM-UHFFFAOYSA-N -1 0 405.863 2.910 50 0 HFAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 ZINC000071833036 571302820 /nfs/dbraw/zinc/30/28/20/571302820.db2.gz BQGHYZGQJMNYNF-UHFFFAOYSA-N -1 0 412.261 2.664 50 0 HFAARM CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000252510174 571304688 /nfs/dbraw/zinc/30/46/88/571304688.db2.gz ZDCTWEKWECLWMI-MRXNPFEDSA-N -1 0 415.496 3.315 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1cccc(O)c1 ZINC000013693293 571306583 /nfs/dbraw/zinc/30/65/83/571306583.db2.gz GAZJMPMGFXNIJZ-UHFFFAOYSA-N -1 0 407.448 2.970 50 0 HFAARM O=C([O-])C[C@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1 ZINC000002510540 132255279 /nfs/dbraw/zinc/25/52/79/132255279.db2.gz BYGUTMGGZCQTDX-LBPRGKRZSA-N -1 0 412.261 2.880 50 0 HFAARM COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)cc1 ZINC000032144611 522123305 /nfs/dbraw/zinc/12/33/05/522123305.db2.gz RIXMGLNLEYYWEH-UHFFFAOYSA-N -1 0 411.439 2.921 50 0 HFAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000044891360 522420199 /nfs/dbraw/zinc/42/01/99/522420199.db2.gz OYMBXVFOCSMJEK-UHFFFAOYSA-N -1 0 412.880 2.629 50 0 HFAARM CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000032961712 525215534 /nfs/dbraw/zinc/21/55/34/525215534.db2.gz SZNUCYSSIPNESR-UHFFFAOYSA-N -1 0 409.895 2.736 50 0 HFAARM O=C([O-])[C@]1(CC(=O)Nc2cccc3nsnc32)CC(c2ccc(F)cc2)=NO1 ZINC000072404851 526337551 /nfs/dbraw/zinc/33/75/51/526337551.db2.gz CGVDJWXOJXXIRE-GOSISDBHSA-N -1 0 400.391 2.807 50 0 HFAARM NC(=O)NCCC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000040309084 526935929 /nfs/dbraw/zinc/93/59/29/526935929.db2.gz PGWHNYBYPYMEQU-GOSISDBHSA-N -1 0 406.442 2.533 50 0 biogenic HFAARM NC(=O)c1c(SCC(=O)Nc2ccc(Cl)cc2)sc2c1[nH]c(=O)cc2[O-] ZINC000040288314 527020458 /nfs/dbraw/zinc/02/04/58/527020458.db2.gz LOVWYTDOSWIMIQ-UHFFFAOYSA-N -1 0 409.876 2.778 50 0 HFAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)Nc1ccc(F)cc1 ZINC000032836338 527077300 /nfs/dbraw/zinc/07/73/00/527077300.db2.gz AQIAVUVBRVRTLS-UHFFFAOYSA-N -1 0 414.418 2.885 50 0 HFAARM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)c1 ZINC000032932348 527322925 /nfs/dbraw/zinc/32/29/25/527322925.db2.gz COWGHDBQHFKRMN-UHFFFAOYSA-N -1 0 412.436 2.747 50 0 HFAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)o2)n[nH]1 ZINC000020577171 527485478 /nfs/dbraw/zinc/48/54/78/527485478.db2.gz OJFDFVTYOHMATI-UHFFFAOYSA-N -1 0 401.322 2.729 50 0 HFAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCOCC2)cc1OC ZINC000022626682 557107077 /nfs/dbraw/zinc/10/70/77/557107077.db2.gz LFCFFCOQOLQFAB-MRXNPFEDSA-N -1 0 404.492 2.634 50 0 HFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000000898227 557113654 /nfs/dbraw/zinc/11/36/54/557113654.db2.gz TVMZOMISNDOQIB-UHFFFAOYSA-N -1 0 422.463 2.526 50 0 HFAARM COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)CSCC(=O)[O-])cc1 ZINC000001029137 557146203 /nfs/dbraw/zinc/14/62/03/557146203.db2.gz LNEVKAOCAGJSLL-UHFFFAOYSA-N -1 0 403.382 2.871 50 0 HFAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000001105863 557180383 /nfs/dbraw/zinc/18/03/83/557180383.db2.gz JJEPTPGSSCXYKX-UHFFFAOYSA-N -1 0 423.882 2.831 50 0 HFAARM COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000002971234 557432825 /nfs/dbraw/zinc/43/28/25/557432825.db2.gz SPGDIBWASWMNCP-YHYXMXQVSA-N -1 0 402.222 2.587 50 0 HFAARM CCCCOc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)c1 ZINC000034764899 557461702 /nfs/dbraw/zinc/46/17/02/557461702.db2.gz JAMIFKYIQZXKNG-UHFFFAOYSA-N -1 0 402.520 2.931 50 0 HFAARM COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)[O-])n1 ZINC000004294574 557537111 /nfs/dbraw/zinc/53/71/11/557537111.db2.gz CRTONYYTUQIFLW-UHFFFAOYSA-N -1 0 404.366 2.810 50 0 HFAARM CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@H](C(=O)[O-])C1 ZINC000004818907 557602006 /nfs/dbraw/zinc/60/20/06/557602006.db2.gz FFCAWQQEPFXANX-QZTJIDSGSA-N -1 0 400.475 2.507 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000002689162 557740762 /nfs/dbraw/zinc/74/07/62/557740762.db2.gz RJWXASRMJCXCFM-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM CCCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2[n-]c1=S ZINC000003043716 557786715 /nfs/dbraw/zinc/78/67/15/557786715.db2.gz HBHXZZDMABKAID-CQSZACIVSA-N -1 0 403.504 2.511 50 0 HFAARM CC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003043761 557786772 /nfs/dbraw/zinc/78/67/72/557786772.db2.gz LWTADUHZHJFXTE-GFCCVEGCSA-N -1 0 411.483 2.991 50 0 HFAARM COc1ccc(-n2cc(CN(C)Cc3n[nH]c(=O)[n-]3)c(-c3cccc(F)c3)n2)cc1 ZINC000012713968 558454134 /nfs/dbraw/zinc/45/41/34/558454134.db2.gz CVBSYJNAMNFSOR-UHFFFAOYSA-N -1 0 408.437 2.730 50 0 HFAARM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)N1CCCC1 ZINC000022466973 558491144 /nfs/dbraw/zinc/49/11/44/558491144.db2.gz AFOCOQPKCDTZKF-CYBMUJFWSA-N -1 0 408.501 2.717 50 0 HFAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(Cl)cc(Cl)c3OC(=O)[C@H]12 ZINC000013017189 558504184 /nfs/dbraw/zinc/50/41/84/558504184.db2.gz BKTZGNMQJKBKNL-MHYGZLNHSA-N -1 0 404.252 2.969 50 0 HFAARM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O ZINC000013569905 558541655 /nfs/dbraw/zinc/54/16/55/558541655.db2.gz CFKFUHZWFVMANY-VIZOYTHASA-N -1 0 416.386 2.905 50 0 HFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1 ZINC000024153101 558590770 /nfs/dbraw/zinc/59/07/70/558590770.db2.gz ZWQWKGFGHHEDFA-UHFFFAOYSA-N -1 0 423.487 2.783 50 0 HFAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)c1 ZINC000004483914 558603129 /nfs/dbraw/zinc/60/31/29/558603129.db2.gz MWCYDCOQOYKKNJ-SJORKVTESA-N -1 0 400.822 2.851 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000004486731 558604058 /nfs/dbraw/zinc/60/40/58/558604058.db2.gz ASBRTCKBUYIFLB-UHFFFAOYSA-N -1 0 400.815 2.646 50 0 HFAARM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)N3CCCC3)ccc21 ZINC000015245476 558729700 /nfs/dbraw/zinc/72/97/00/558729700.db2.gz HTEDYWAXZJDRDI-UHFFFAOYSA-N -1 0 413.499 2.632 50 0 HFAARM CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)N2CCCCC2)C1 ZINC000017088014 558816756 /nfs/dbraw/zinc/81/67/56/558816756.db2.gz OLMAYDNQMPMXLJ-ZDUSSCGKSA-N -1 0 408.520 2.929 50 0 HFAARM C[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2ccccc2)C1 ZINC000017090668 558819326 /nfs/dbraw/zinc/81/93/26/558819326.db2.gz PWISXLBIOIRPCE-ZDUSSCGKSA-N -1 0 416.499 2.843 50 0 HFAARM COc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CCCC2 ZINC000017091411 558819970 /nfs/dbraw/zinc/81/99/70/558819970.db2.gz WCOGOBWHPKGLTR-UHFFFAOYSA-N -1 0 418.471 2.928 50 0 HFAARM Cn1nc(C(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)c2ccccc21 ZINC000097112020 558995483 /nfs/dbraw/zinc/99/54/83/558995483.db2.gz SXLKDJGJUURBCR-UHFFFAOYSA-N -1 0 424.464 2.775 50 0 HFAARM Cn1nc(C(=O)N2CCc3nc4cc(-c5ccccc5)[n-]n4c(=O)c3C2)c2ccccc21 ZINC000097124700 558995835 /nfs/dbraw/zinc/99/58/35/558995835.db2.gz PCTUKWOIUSSQDM-UHFFFAOYSA-N -1 0 424.464 2.775 50 0 HFAARM C[C@@H](C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1)n1cccc1 ZINC000077392286 559003509 /nfs/dbraw/zinc/00/35/09/559003509.db2.gz ZCWWDEDLCADOCH-INIZCTEOSA-N -1 0 410.499 2.830 50 0 HFAARM CCC(CC)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1 ZINC000077393800 559003622 /nfs/dbraw/zinc/00/36/22/559003622.db2.gz INEUXTQGRKCHKJ-UHFFFAOYSA-N -1 0 408.549 2.968 50 0 HFAARM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000033298994 559048270 /nfs/dbraw/zinc/04/82/70/559048270.db2.gz CCSZTNKEYHDIEZ-UHFFFAOYSA-N -1 0 404.441 2.779 50 0 HFAARM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)OCc1ccccc1)C[C@H]2C(=O)[O-] ZINC000091302637 559070936 /nfs/dbraw/zinc/07/09/36/559070936.db2.gz GBTIZYRCMIVLGY-KKSFZXQISA-N -1 0 404.463 2.967 50 0 HFAARM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)OCc1ccccc1)C[C@@H]2C(=O)[O-] ZINC000091302634 559070949 /nfs/dbraw/zinc/07/09/49/559070949.db2.gz GBTIZYRCMIVLGY-IIBYNOLFSA-N -1 0 404.463 2.967 50 0 HFAARM CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000095372043 559080367 /nfs/dbraw/zinc/08/03/67/559080367.db2.gz XOOBWELGDBVQDW-GOSISDBHSA-N -1 0 401.484 2.737 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)cc1 ZINC000100033185 559128925 /nfs/dbraw/zinc/12/89/25/559128925.db2.gz YNVBAMHOAFRANN-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000004884577 559196621 /nfs/dbraw/zinc/19/66/21/559196621.db2.gz SVVOTIFZICIYRY-GOSISDBHSA-N -1 0 415.471 2.601 50 0 HFAARM COCCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S ZINC000004951520 559215852 /nfs/dbraw/zinc/21/58/52/559215852.db2.gz VHAXOKQWVXIEBX-UHFFFAOYSA-N -1 0 418.519 2.872 50 0 HFAARM COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000004976769 559222060 /nfs/dbraw/zinc/22/20/60/559222060.db2.gz NMELGKOIDXDRCO-VKAVYKQESA-N -1 0 400.431 2.820 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(F)cc1F ZINC000100707139 559259287 /nfs/dbraw/zinc/25/92/87/559259287.db2.gz KQCNUFLINZLVFO-JKSUJKDBSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(F)cc1F ZINC000100707136 559259301 /nfs/dbraw/zinc/25/93/01/559259301.db2.gz KQCNUFLINZLVFO-CVEARBPZSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000011867571 559264554 /nfs/dbraw/zinc/26/45/54/559264554.db2.gz GCKVKGROCJJERY-LJQANCHMSA-N -1 0 420.421 2.643 50 0 HFAARM CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-] ZINC000238924118 559271704 /nfs/dbraw/zinc/27/17/04/559271704.db2.gz RCISSNOGVFMDHK-MPGHIAIKSA-N -1 0 415.490 2.524 50 0 HFAARM O=C([O-])c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccs3)C2=O)ccc1O ZINC000005346119 560570237 /nfs/dbraw/zinc/57/02/37/560570237.db2.gz ISVWLOBXHCJCHX-QPEQYQDCSA-N -1 0 404.425 2.827 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000005575479 560627664 /nfs/dbraw/zinc/62/76/64/560627664.db2.gz COSOPAJCGVUBQI-UHFFFAOYSA-N -1 0 412.261 2.860 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1C ZINC000100890791 560762067 /nfs/dbraw/zinc/76/20/67/560762067.db2.gz VBILJFBHKIAMTA-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000100890805 560762111 /nfs/dbraw/zinc/76/21/11/560762111.db2.gz RJWXASRMJCXCFM-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=O)n(CCC2=CCCCC2)c1=O ZINC000100930464 560763339 /nfs/dbraw/zinc/76/33/39/560763339.db2.gz LYVZYYVCZBILIN-FQEVSTJZSA-N -1 0 409.486 2.627 50 0 HFAARM CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=O)n(CCC2=CCCCC2)c1=O ZINC000100930461 560763352 /nfs/dbraw/zinc/76/33/52/560763352.db2.gz LYVZYYVCZBILIN-HXUWFJFHSA-N -1 0 409.486 2.627 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1Cl ZINC000101083623 560773146 /nfs/dbraw/zinc/77/31/46/560773146.db2.gz WJBGSAJEFGBLLQ-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101155913 560787102 /nfs/dbraw/zinc/78/71/02/560787102.db2.gz DISLAVVAWGEEJL-SJLPKXTDSA-N -1 0 411.845 2.864 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000101169011 560787629 /nfs/dbraw/zinc/78/76/29/560787629.db2.gz GQISNFKRUHGBEB-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1C ZINC000101169435 560787727 /nfs/dbraw/zinc/78/77/27/560787727.db2.gz PHLMTIOMOUVWTO-PMACEKPBSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1C ZINC000101169457 560787729 /nfs/dbraw/zinc/78/77/29/560787729.db2.gz HLUHKOALOAWVNG-PMACEKPBSA-N -1 0 405.458 2.852 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1OC ZINC000101170672 560787919 /nfs/dbraw/zinc/78/79/19/560787919.db2.gz KJWXBROZRVDROM-IAGOWNOFSA-N -1 0 400.822 2.851 50 0 HFAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101174324 560787975 /nfs/dbraw/zinc/78/79/75/560787975.db2.gz GQRFTTNITNPGME-IAGOWNOFSA-N -1 0 415.812 2.719 50 0 HFAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)c1 ZINC000101277524 560790274 /nfs/dbraw/zinc/79/02/74/560790274.db2.gz VOJPFSXZPYTVJL-QZTJIDSGSA-N -1 0 418.413 2.547 50 0 HFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)n1 ZINC000101272614 560791069 /nfs/dbraw/zinc/79/10/69/560791069.db2.gz QXCPYYCYONYAIL-DLBZAZTESA-N -1 0 424.367 2.817 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101389618 560794124 /nfs/dbraw/zinc/79/41/24/560794124.db2.gz CNSVALQOZZCNAR-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1 ZINC000101417035 560794780 /nfs/dbraw/zinc/79/47/80/560794780.db2.gz QIJNGLDUBFFTBF-MOPGFXCFSA-N -1 0 409.421 2.881 50 0 HFAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1cccs1 ZINC000101765056 560799419 /nfs/dbraw/zinc/79/94/19/560799419.db2.gz KEIFBXQPVKBDAT-CQSZACIVSA-N -1 0 416.503 2.897 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1F ZINC000101893375 560804567 /nfs/dbraw/zinc/80/45/67/560804567.db2.gz IFRVEADKIJKMGM-IAGOWNOFSA-N -1 0 406.377 2.678 50 0 HFAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)cc3)c=2c1=O ZINC000102002061 560807191 /nfs/dbraw/zinc/80/71/91/560807191.db2.gz UOZWAWODDXTRNP-FUHWJXTLSA-N -1 0 411.849 2.889 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000102906905 560835097 /nfs/dbraw/zinc/83/50/97/560835097.db2.gz NYXBSIPOMFZYPP-PMACEKPBSA-N -1 0 405.458 2.798 50 0 HFAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C=CC(=O)[O-])cc3)C2=O)cc1 ZINC000112286420 568443310 /nfs/dbraw/zinc/44/33/10/568443310.db2.gz FLYAXAKEAXYYQK-SXSDINLZSA-N -1 0 410.451 2.999 50 0 HFAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1 ZINC000049002761 568446138 /nfs/dbraw/zinc/44/61/38/568446138.db2.gz LZBLRKVOZHAFNU-IAGOWNOFSA-N -1 0 420.454 2.952 50 0 HFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)n1 ZINC000049002665 568446164 /nfs/dbraw/zinc/44/61/64/568446164.db2.gz PWDGKLFNASUVCV-IAGOWNOFSA-N -1 0 406.377 2.678 50 0 HFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1OC ZINC000049411819 568450179 /nfs/dbraw/zinc/45/01/79/568450179.db2.gz MKVLPWOSYXTFEA-UHFFFAOYSA-N -1 0 420.425 2.997 50 0 HFAARM O=C([O-])CC[C@]1(CCC(=O)N2CCC(Cc3ccccc3F)CC2)CCC(=O)N1 ZINC000223755296 568558254 /nfs/dbraw/zinc/55/82/54/568558254.db2.gz YDGBDTCOUMXAOR-JOCHJYFZSA-N -1 0 404.482 2.901 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCOC2)ccc1C ZINC000095440537 568610460 /nfs/dbraw/zinc/61/04/60/568610460.db2.gz SLLFVKSMLHHGDM-FQEVSTJZSA-N -1 0 404.488 2.713 50 0 HFAARM C[C@](Cc1ccccc1)(NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000095463895 568622353 /nfs/dbraw/zinc/62/23/53/568622353.db2.gz JFVKUTMCUOZDGR-LJQANCHMSA-N -1 0 408.376 2.637 50 0 HFAARM C[C@@](Cc1ccccc1)(NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000095463896 568622371 /nfs/dbraw/zinc/62/23/71/568622371.db2.gz JFVKUTMCUOZDGR-IBGZPJMESA-N -1 0 408.376 2.637 50 0 HFAARM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000225731600 568668764 /nfs/dbraw/zinc/66/87/64/568668764.db2.gz LFLYPNFVBUOXRI-UHFFFAOYSA-N -1 0 418.656 2.770 50 0 HFAARM COc1ccccc1C[C@H](CNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)C(=O)[O-] ZINC000095989885 568677764 /nfs/dbraw/zinc/67/77/64/568677764.db2.gz LCOAONJAMVWDKR-WOJBJXKFSA-N -1 0 424.497 2.750 50 0 HFAARM COC(=O)C[C@H](c1ccc2nccnc2c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096117227 568696734 /nfs/dbraw/zinc/69/67/34/568696734.db2.gz UOCVVCNJFSKGAE-CYBMUJFWSA-N -1 0 410.817 2.692 50 0 HFAARM COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c([O-])nc2ccccn2c1=O ZINC000096118384 568698134 /nfs/dbraw/zinc/69/81/34/568698134.db2.gz WWBAOJFWQUDPTM-MRXNPFEDSA-N -1 0 418.409 2.677 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccccc1F ZINC000096319794 568728228 /nfs/dbraw/zinc/72/82/28/568728228.db2.gz QOMFXOYDTLUOOS-JKSUJKDBSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(NCc1ccc(F)cc1F)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000096361295 568739299 /nfs/dbraw/zinc/73/92/99/568739299.db2.gz CQTSCMQJQWGREX-UHFFFAOYSA-N -1 0 410.377 2.558 50 0 HFAARM COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000000915113 568750295 /nfs/dbraw/zinc/75/02/95/568750295.db2.gz WEVXOCZLFQKZFG-XEZPLFJOSA-N -1 0 400.378 2.861 50 0 HFAARM O=c1nc(CN2CCN(c3ncccn3)CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000096403137 568750502 /nfs/dbraw/zinc/75/05/02/568750502.db2.gz QSTBDKWMPWCQQC-UHFFFAOYSA-N -1 0 422.489 2.903 50 0 HFAARM COc1ccc(CC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1OC ZINC000021883073 568757883 /nfs/dbraw/zinc/75/78/83/568757883.db2.gz DGQPMOBYLNWWRJ-UHFFFAOYSA-N -1 0 421.500 2.866 50 0 HFAARM O=C([O-])CCc1nn2c3ccccc3n(CC(=O)c3ccc(Cl)cc3)c2nc1=O ZINC000002479300 568774175 /nfs/dbraw/zinc/77/41/75/568774175.db2.gz ZQNZBSUIJIAUMN-UHFFFAOYSA-N -1 0 410.817 2.598 50 0 HFAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Br)c2)cc2c1OCCO2 ZINC000057115518 568824188 /nfs/dbraw/zinc/82/41/88/568824188.db2.gz IINCUJJHBDUYPV-UHFFFAOYSA-N -1 0 414.233 2.719 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000012521439 568841882 /nfs/dbraw/zinc/84/18/82/568841882.db2.gz VGSCDEIIOFAFAI-GJZGRUSLSA-N -1 0 404.488 2.745 50 0 HFAARM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000012536312 568845781 /nfs/dbraw/zinc/84/57/81/568845781.db2.gz TVKRILNLEKFLNU-UHFFFAOYSA-N -1 0 405.220 2.888 50 0 HFAARM CCOc1ccc(CCNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1OCC ZINC000012605541 568871033 /nfs/dbraw/zinc/87/10/33/568871033.db2.gz MASDQMGKRMNKQT-UHFFFAOYSA-N -1 0 406.504 2.828 50 0 HFAARM C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C(=O)[O-])CC1 ZINC000058009113 568875060 /nfs/dbraw/zinc/87/50/60/568875060.db2.gz VCWYARODYKPSSH-UHFFFAOYSA-N -1 0 415.924 2.652 50 0 HFAARM CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000004026376 568878170 /nfs/dbraw/zinc/87/81/70/568878170.db2.gz LIMGICFXHVUYQP-ZXSCFNIGSA-N -1 0 420.477 2.942 50 0 biogenic HFAARM COc1cccc(CCNC(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000012628103 568881921 /nfs/dbraw/zinc/88/19/21/568881921.db2.gz PHGUIJWDDCEBPU-UHFFFAOYSA-N -1 0 417.512 2.925 50 0 HFAARM Cc1cc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)no1 ZINC000003503096 568910580 /nfs/dbraw/zinc/91/05/80/568910580.db2.gz OKPCBYMVLFILDP-UHFFFAOYSA-N -1 0 421.456 2.641 50 0 HFAARM CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O ZINC000003984827 568931221 /nfs/dbraw/zinc/93/12/21/568931221.db2.gz XVXHKSUNKDKOLL-OAQYLSRUSA-N -1 0 419.481 2.651 50 0 biogenic HFAARM CCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](CC)C(=O)[O-])c12)OC(C)(C)CC3 ZINC000004090576 568942055 /nfs/dbraw/zinc/94/20/55/568942055.db2.gz BTJPYYOCXCJPLH-AWEZNQCLSA-N -1 0 417.458 2.817 50 0 biogenic HFAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000004204788 568951598 /nfs/dbraw/zinc/95/15/98/568951598.db2.gz NLTFNNXKOGTGNP-CXAGYDPISA-N -1 0 407.444 2.832 50 0 HFAARM O=C(Nc1nc[nH]n1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006147060 569014631 /nfs/dbraw/zinc/01/46/31/569014631.db2.gz KVBFHDWSLSRSKB-UHFFFAOYSA-N -1 0 422.264 2.620 50 0 HFAARM COc1ccc2c(C)c(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(=O)oc2c1C ZINC000006233000 569033788 /nfs/dbraw/zinc/03/37/88/569033788.db2.gz YEZYVQLHXZTURW-GOSISDBHSA-N -1 0 409.438 2.773 50 0 HFAARM COc1ccc2c(C)c(CC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)c(=O)oc2c1C ZINC000217446982 569038784 /nfs/dbraw/zinc/03/87/84/569038784.db2.gz RRPNRAOSIKSLHI-SHTZXODSSA-N -1 0 401.459 2.968 50 0 HFAARM CC(C)C[C@H](NC(=O)CSc1nnc(NCCc2cccs2)s1)C(=O)[O-] ZINC000012978161 569042517 /nfs/dbraw/zinc/04/25/17/569042517.db2.gz XOOLYTSXBJLHSM-LBPRGKRZSA-N -1 0 414.578 2.962 50 0 HFAARM CC(=O)c1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc3cccnc32)c1 ZINC000089518716 569062646 /nfs/dbraw/zinc/06/26/46/569062646.db2.gz KYMVRRYQZOIYLA-OAHLLOKOSA-N -1 0 412.467 2.851 50 0 HFAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000006620558 569074889 /nfs/dbraw/zinc/07/48/89/569074889.db2.gz TWFZULOJKNFFFT-FMQUCBEESA-N -1 0 423.469 2.736 50 0 HFAARM O=C([O-])[C@@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)c1ccccc1 ZINC000006658602 569083398 /nfs/dbraw/zinc/08/33/98/569083398.db2.gz HCALKPNAORYWSW-LAGYLCCXSA-N -1 0 420.469 2.540 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)cc1 ZINC000064837065 569104999 /nfs/dbraw/zinc/10/49/99/569104999.db2.gz CHGBTYHGCAXOEA-UHFFFAOYSA-N -1 0 401.444 2.645 50 0 HFAARM COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036353932 569147870 /nfs/dbraw/zinc/14/78/70/569147870.db2.gz QMRACDLNERCSDB-OAQYLSRUSA-N -1 0 423.469 2.833 50 0 HFAARM O=C([O-])[C@H](c1c[nH]c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc21)[NH+]1CCCC1 ZINC000036357325 569148825 /nfs/dbraw/zinc/14/88/25/569148825.db2.gz GIYLVYAWFBHSBT-CLCXKQKWSA-N -1 0 411.458 2.995 50 0 HFAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036357837 569149286 /nfs/dbraw/zinc/14/92/86/569149286.db2.gz PKWVBXFZNWSBRN-HXUWFJFHSA-N -1 0 411.433 2.964 50 0 HFAARM CCOC(=O)N[C@@]([N-]c1nnc(SCC)s1)(C(=O)OCC)C(F)(F)F ZINC000071416802 569252699 /nfs/dbraw/zinc/25/26/99/569252699.db2.gz PSGZFECETNSKKX-NSHDSACASA-N -1 0 402.420 2.630 50 0 HFAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)N1CCOCC1 ZINC000006742023 569280115 /nfs/dbraw/zinc/28/01/15/569280115.db2.gz QYPOMAQEIRGJFI-HUUCEWRRSA-N -1 0 406.504 2.697 50 0 HFAARM COc1ccc2c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc(=O)oc2c1 ZINC000002098765 569281165 /nfs/dbraw/zinc/28/11/65/569281165.db2.gz DMVAUWJZWJNTJA-IBGZPJMESA-N -1 0 420.421 2.638 50 0 biogenic HFAARM O=C([O-])CCCCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000002106070 569283097 /nfs/dbraw/zinc/28/30/97/569283097.db2.gz XBJFSWRCQBCOHM-QGOAFFKASA-N -1 0 424.453 2.947 50 0 biogenic HFAARM C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002147491 569289768 /nfs/dbraw/zinc/28/97/68/569289768.db2.gz WUGBUBPPCFZIOB-VLIAUNLRSA-N -1 0 421.449 2.861 50 0 biogenic HFAARM CC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)C(=O)[O-] ZINC000002159379 569290610 /nfs/dbraw/zinc/29/06/10/569290610.db2.gz PJQZRGWZJMKNSY-GOSISDBHSA-N -1 0 411.410 2.827 50 0 biogenic HFAARM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000001926298 569320451 /nfs/dbraw/zinc/32/04/51/569320451.db2.gz WSPKIQVBFUNXGF-UHFFFAOYSA-N -1 0 417.487 2.571 50 0 HFAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cccc(Br)c1)OCCO2 ZINC000013090234 569408857 /nfs/dbraw/zinc/40/88/57/569408857.db2.gz DJKPCCNTKURSQL-UHFFFAOYSA-N -1 0 414.233 2.719 50 0 HFAARM O=C([O-])CCCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1 ZINC000013400858 569413448 /nfs/dbraw/zinc/41/34/48/569413448.db2.gz XEWVHWAPHCSDDM-SDNWHVSQSA-N -1 0 421.247 2.794 50 0 HFAARM C[C@@H](C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1)c1ccc(Cl)s1 ZINC000328592183 569415336 /nfs/dbraw/zinc/41/53/36/569415336.db2.gz KBKFUJRACYFGPW-MRVPVSSYSA-N -1 0 405.954 2.918 50 0 HFAARM O=C1[N-]S(=O)(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc21 ZINC000328595848 569416081 /nfs/dbraw/zinc/41/60/81/569416081.db2.gz GPLQLEQCEVWFRU-UHFFFAOYSA-N -1 0 407.256 2.801 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCO2)cc1 ZINC000079070825 569426677 /nfs/dbraw/zinc/42/66/77/569426677.db2.gz MOLWWKWDKVDPFH-FQEVSTJZSA-N -1 0 404.488 2.795 50 0 HFAARM CN(CCc1ccccn1)C(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000008661780 571099721 /nfs/dbraw/zinc/09/97/21/571099721.db2.gz CODIMGDVCZHNEV-QGZVFWFLSA-N -1 0 424.526 2.948 50 0 HFAARM O=C(Cc1cn2ccsc2n1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008719978 571106767 /nfs/dbraw/zinc/10/67/67/571106767.db2.gz DJAIHHMCWMTZOP-UHFFFAOYSA-N -1 0 419.513 2.834 50 0 HFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCCC1 ZINC000008778931 571118473 /nfs/dbraw/zinc/11/84/73/571118473.db2.gz MWYCMKYDEPJMLR-UHFFFAOYSA-N -1 0 413.499 2.850 50 0 HFAARM O=C(c1cc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)c[nH]1)N1CCCC1 ZINC000040082760 571156538 /nfs/dbraw/zinc/15/65/38/571156538.db2.gz LDLDCJPIJSHBCF-UHFFFAOYSA-N -1 0 416.503 2.568 50 0 HFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(OCc2nccn2C)cc1 ZINC000040119813 571175833 /nfs/dbraw/zinc/17/58/33/571175833.db2.gz SOEBPUCTNSOOTA-UHFFFAOYSA-N -1 0 409.471 2.569 50 0 HFAARM CC(C)C[C@@H](C(=O)NCC1CCC(C(=O)[O-])CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000009012489 571210669 /nfs/dbraw/zinc/21/06/69/571210669.db2.gz RRMRYYBQPFUPTK-JMLCCBQJSA-N -1 0 415.490 2.697 50 0 HFAARM CCCNC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000009013458 571210844 /nfs/dbraw/zinc/21/08/44/571210844.db2.gz LZWLENKDCPERBQ-UHFFFAOYSA-N -1 0 404.058 2.899 50 0 HFAARM COC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009120535 571225381 /nfs/dbraw/zinc/22/53/81/571225381.db2.gz XOCWQMXJOBCWNW-SNVBAGLBSA-N -1 0 424.953 2.516 50 0 HFAARM O=C([O-])C1CCN(C(=O)CCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)CC1 ZINC000009216226 571237430 /nfs/dbraw/zinc/23/74/30/571237430.db2.gz IFHFZUOOECOTJI-PTNGSMBKSA-N -1 0 406.435 2.575 50 0 HFAARM CCOc1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000069737404 571241450 /nfs/dbraw/zinc/24/14/50/571241450.db2.gz ZDAFTMWBZYIAAB-VMPITWQZSA-N -1 0 411.277 2.761 50 0 HFAARM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1 ZINC000009257139 571243758 /nfs/dbraw/zinc/24/37/58/571243758.db2.gz XJRQIPOESAUWQG-UHFFFAOYSA-N -1 0 417.878 2.848 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000009835789 571287809 /nfs/dbraw/zinc/28/78/09/571287809.db2.gz BEMURJZMHDUTGM-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM CS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1N1CCC(C(=O)[O-])CC1 ZINC000001034772 132235638 /nfs/dbraw/zinc/23/56/38/132235638.db2.gz BQRYSZXDNDPPGU-UHFFFAOYSA-N -1 0 402.516 2.949 50 0 HFAARM CS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000005136874 132302982 /nfs/dbraw/zinc/30/29/82/132302982.db2.gz ZJUJHRLXLUBBQW-UHFFFAOYSA-N -1 0 400.909 2.853 50 0 HFAARM CSCC[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000238899339 525590697 /nfs/dbraw/zinc/59/06/97/525590697.db2.gz FUTQSHFQOJNMEL-MPGHIAIKSA-N -1 0 417.531 2.525 50 0 HFAARM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 ZINC000032586112 527618825 /nfs/dbraw/zinc/61/88/25/527618825.db2.gz XYZPYOBJPRNYQI-UHFFFAOYSA-N -1 0 404.213 2.852 50 0 HFAARM COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000011906638 536672732 /nfs/dbraw/zinc/67/27/32/536672732.db2.gz BKYIDKZNWLJXCH-UHFFFAOYSA-N -1 0 410.517 2.734 50 0 HFAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000000692945 557061185 /nfs/dbraw/zinc/06/11/85/557061185.db2.gz RJEBBYLYBLRZQO-UHFFFAOYSA-N -1 0 404.378 2.704 50 0 HFAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)CC1 ZINC000022626967 557108259 /nfs/dbraw/zinc/10/82/59/557108259.db2.gz OBSPCLKYUSYURS-OAHLLOKOSA-N -1 0 419.482 2.807 50 0 HFAARM COC(=O)c1cc(OC)c(OC)c(OC)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001042570 557154316 /nfs/dbraw/zinc/15/43/16/557154316.db2.gz FENBSPPJWAUCFU-UHFFFAOYSA-N -1 0 415.851 2.953 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)no1 ZINC000002185057 557324027 /nfs/dbraw/zinc/32/40/27/557324027.db2.gz LFUAZRPLZTTXKK-UHFFFAOYSA-N -1 0 406.445 2.504 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)no1 ZINC000002395004 557344201 /nfs/dbraw/zinc/34/42/01/557344201.db2.gz RYEQTTGDPMCPCC-UHFFFAOYSA-N -1 0 422.513 2.972 50 0 HFAARM COc1cc(OC)cc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034768218 557462984 /nfs/dbraw/zinc/46/29/84/557462984.db2.gz NDLFOUKGNIBDGE-UHFFFAOYSA-N -1 0 422.485 2.943 50 0 biogenic HFAARM COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCC(=O)[O-] ZINC000004492505 557559519 /nfs/dbraw/zinc/55/95/19/557559519.db2.gz YKVHKQPUQJDNSZ-NVMNQCDNSA-N -1 0 410.451 2.546 50 0 HFAARM CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(OCC(=O)[O-])cc1 ZINC000004657460 557577055 /nfs/dbraw/zinc/57/70/55/557577055.db2.gz ITRZTHCUDSZPJN-LJQANCHMSA-N -1 0 412.467 2.643 50 0 HFAARM O=C([O-])[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000004718038 557586255 /nfs/dbraw/zinc/58/62/55/557586255.db2.gz HDRZNYYYMJROAJ-SNVBAGLBSA-N -1 0 408.270 2.624 50 0 HFAARM CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000005051013 557630610 /nfs/dbraw/zinc/63/06/10/557630610.db2.gz YURCAQDCJVYENF-UHFFFAOYSA-N -1 0 416.499 2.903 50 0 HFAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccccc2O)C3=O)cc1 ZINC000006162991 557692409 /nfs/dbraw/zinc/69/24/09/557692409.db2.gz WHPBSQUBKQBCCG-UHFFFAOYSA-N -1 0 423.402 2.724 50 0 HFAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc(C(F)(F)F)n(C)n1)CCCC3 ZINC000002780476 557761611 /nfs/dbraw/zinc/76/16/11/557761611.db2.gz REOOOYSGCFQTFK-UHFFFAOYSA-N -1 0 411.409 2.781 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022960683 558528074 /nfs/dbraw/zinc/52/80/74/558528074.db2.gz BAZIKIBAAHOQAA-GJZGRUSLSA-N -1 0 404.488 2.745 50 0 HFAARM COC(=O)c1ccc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000013693615 558574841 /nfs/dbraw/zinc/57/48/41/558574841.db2.gz OLXUZGGQRVMUKN-UHFFFAOYSA-N -1 0 405.457 2.707 50 0 HFAARM CCCCSc1nnc([N-]C(=O)c2nc(S(C)(=O)=O)ncc2Cl)s1 ZINC000016751783 558804992 /nfs/dbraw/zinc/80/49/92/558804992.db2.gz LNSZFIREKPMABP-UHFFFAOYSA-N -1 0 407.930 2.530 50 0 HFAARM COc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CCC2 ZINC000017082836 558815122 /nfs/dbraw/zinc/81/51/22/558815122.db2.gz HSRQDNPQXBWVQH-UHFFFAOYSA-N -1 0 404.444 2.537 50 0 HFAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017092191 558820629 /nfs/dbraw/zinc/82/06/29/558820629.db2.gz OECUZLPTXAWNBR-GFCCVEGCSA-N -1 0 420.487 2.826 50 0 HFAARM O=C([O-])CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000070915482 558824672 /nfs/dbraw/zinc/82/46/72/558824672.db2.gz GYOCQRRBWOTDJV-AWEZNQCLSA-N -1 0 415.467 2.509 50 0 HFAARM COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2OC)cc1 ZINC000017945666 558828750 /nfs/dbraw/zinc/82/87/50/558828750.db2.gz JZVNPHAEVHMMIA-UHFFFAOYSA-N -1 0 413.455 2.686 50 0 HFAARM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc2sc(=O)oc21 ZINC000000850314 558835816 /nfs/dbraw/zinc/83/58/16/558835816.db2.gz OSEZHGNDVGKLNT-XGICHPGQSA-N -1 0 402.815 2.978 50 0 HFAARM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000060348188 558859443 /nfs/dbraw/zinc/85/94/43/558859443.db2.gz LKHYNLJNZNEUMV-SFHVURJKSA-N -1 0 405.414 2.609 50 0 HFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000058140978 558901377 /nfs/dbraw/zinc/90/13/77/558901377.db2.gz YSYYUCHVFJBSKU-UHFFFAOYSA-N -1 0 406.441 2.670 50 0 HFAARM COc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000004702413 558910160 /nfs/dbraw/zinc/91/01/60/558910160.db2.gz JMWVSLIFJDMESY-DZZSIBQASA-N -1 0 414.389 2.779 50 0 HFAARM CS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)c(C(=O)[O-])c1 ZINC000033252935 558921050 /nfs/dbraw/zinc/92/10/50/558921050.db2.gz PFZBXMXYAZJXKF-UHFFFAOYSA-N -1 0 409.895 2.736 50 0 HFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)Cc2ccccc2)CC4)cc1 ZINC000097942112 558947877 /nfs/dbraw/zinc/94/78/77/558947877.db2.gz AXAWLHXBFSAAGY-UHFFFAOYSA-N -1 0 414.465 2.826 50 0 HFAARM C[C@@H](NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)c1n[nH]c(=O)[n-]1 ZINC000067817897 558993395 /nfs/dbraw/zinc/99/33/95/558993395.db2.gz NKYPDBWGQPAWJB-MRVPVSSYSA-N -1 0 422.392 2.984 50 0 HFAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000097151633 558997341 /nfs/dbraw/zinc/99/73/41/558997341.db2.gz ULKAHNLTLLSWIQ-UHFFFAOYSA-N -1 0 410.402 2.759 50 0 HFAARM O=C(c1c[nH]nc1-c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)o1)N1CCCC1 ZINC000097151828 558997492 /nfs/dbraw/zinc/99/74/92/558997492.db2.gz UOECOZZOQNGFLK-UHFFFAOYSA-N -1 0 422.413 2.985 50 0 HFAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)NC(C)(C)C)CC3)s1 ZINC000077356645 559002311 /nfs/dbraw/zinc/00/23/11/559002311.db2.gz NXMMXTNULPMYKE-UHFFFAOYSA-N -1 0 409.537 2.514 50 0 HFAARM O=C([O-])CC[C@@H]1CN(c2nnc(-c3ccccc3)s2)CC[C@@H]1N1CCOCC1 ZINC000091906634 559074581 /nfs/dbraw/zinc/07/45/81/559074581.db2.gz DGIHFZPPPCAFNN-SJORKVTESA-N -1 0 402.520 2.597 50 0 HFAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2cnc(NC(C)C)nc2)CC1 ZINC000095520387 559085070 /nfs/dbraw/zinc/08/50/70/559085070.db2.gz KEHDRSJRPKXKOB-UHFFFAOYSA-N -1 0 400.479 2.804 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000098212468 559127711 /nfs/dbraw/zinc/12/77/11/559127711.db2.gz CHQZRUPKZGDWST-PMACEKPBSA-N -1 0 405.458 2.852 50 0 HFAARM CN1CCN(c2cc3c(cc2-c2ccccc2)C(=O)[C@@H](C(=O)[O-])CN3C2CC2)CC1 ZINC000100032760 559128858 /nfs/dbraw/zinc/12/88/58/559128858.db2.gz OUWPXSVQYUGQLS-FQEVSTJZSA-N -1 0 405.498 2.971 50 0 HFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000100033042 559128866 /nfs/dbraw/zinc/12/88/66/559128866.db2.gz ITAOHVYKECGUGB-ROUUACIJSA-N -1 0 409.471 2.649 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl ZINC000100033357 559128910 /nfs/dbraw/zinc/12/89/10/559128910.db2.gz DOPBZKJQKIPJKX-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM CC(=O)c1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1 ZINC000004853652 559192028 /nfs/dbraw/zinc/19/20/28/559192028.db2.gz LWUFRDGULARTQW-UHFFFAOYSA-N -1 0 407.448 2.870 50 0 HFAARM O=C([O-])CC[C@@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000408525844 559215622 /nfs/dbraw/zinc/21/56/22/559215622.db2.gz YCNIPFOBPKBQJI-QFIPXVFZSA-N -1 0 420.400 2.769 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1C ZINC000004992494 559225072 /nfs/dbraw/zinc/22/50/72/559225072.db2.gz UWJRNKAAFDPWGJ-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000005007852 559226741 /nfs/dbraw/zinc/22/67/41/559226741.db2.gz AJAPOZLDDRRELC-ZWUNQBBJSA-N -1 0 404.422 2.863 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100563710 559227709 /nfs/dbraw/zinc/22/77/09/559227709.db2.gz XEXSJZFJPPFKHL-SJLPKXTDSA-N -1 0 411.845 2.946 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011795882 559259804 /nfs/dbraw/zinc/25/98/04/559259804.db2.gz YFRFGCHFNFLOGN-CQSZACIVSA-N -1 0 421.500 2.612 50 0 HFAARM Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)c12)OC(C)(C)CC3 ZINC000011865491 559263796 /nfs/dbraw/zinc/26/37/96/559263796.db2.gz BYYQJHJYRCCNOF-LJQANCHMSA-N -1 0 417.458 2.809 50 0 HFAARM COc1cc2oc(=O)c(CC(=O)N[C@H](CCSC)C(=O)[O-])c(C)c2cc1Cl ZINC000011865645 559263819 /nfs/dbraw/zinc/26/38/19/559263819.db2.gz UNKAYAGYSDCWEN-CYBMUJFWSA-N -1 0 413.879 2.628 50 0 HFAARM Cc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc([N-]S(=O)(=O)N(C)C)nn32)cc1 ZINC000005574081 560623371 /nfs/dbraw/zinc/62/33/71/560623371.db2.gz FHIMTFZKQYZSNY-ROUUACIJSA-N -1 0 412.519 2.951 50 0 HFAARM Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@](O)(c2sc(N)nc2O)C1=O ZINC000017878622 560729841 /nfs/dbraw/zinc/72/98/41/560729841.db2.gz PWLSMOUEIRLDLQ-GCJKJVERSA-N -1 0 409.511 2.810 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCc3cccs3)cs2)cc1 ZINC000011693242 560773567 /nfs/dbraw/zinc/77/35/67/560773567.db2.gz UPZAGFVTAWJVKA-UHFFFAOYSA-N -1 0 409.514 2.944 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(Cl)cccc3Cl)c(=O)c1=2)Nc1ccccc1 ZINC000018162326 560780632 /nfs/dbraw/zinc/78/06/32/560780632.db2.gz BMPWVECBLLYNGA-GDBMZVCRSA-N -1 0 418.240 2.925 50 0 HFAARM CCOC(=O)C1=C(NC(=O)CCNC(=O)c2ccco2)Nc2ccccc2N=C1C ZINC000005687615 560783940 /nfs/dbraw/zinc/78/39/40/560783940.db2.gz AZLODPBJVLZDPW-UHFFFAOYSA-N -1 0 410.430 2.509 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000101165997 560787297 /nfs/dbraw/zinc/78/72/97/560787297.db2.gz KCLQTHJBEAPKGE-WOJBJXKFSA-N -1 0 421.457 2.751 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000101165855 560787307 /nfs/dbraw/zinc/78/73/07/560787307.db2.gz DWCYKJHNHGROFL-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Br)c4)c=3c2=O)cc1 ZINC000101167045 560787383 /nfs/dbraw/zinc/78/73/83/560787383.db2.gz OVNFWPLVKHBXGZ-HZPDHXFCSA-N -1 0 415.247 2.951 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C ZINC000101169051 560787634 /nfs/dbraw/zinc/78/76/34/560787634.db2.gz NESPHUKJXPHBLE-ROUUACIJSA-N -1 0 413.384 2.514 50 0 HFAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)c1 ZINC000101277523 560790334 /nfs/dbraw/zinc/79/03/34/560790334.db2.gz VOJPFSXZPYTVJL-ROUUACIJSA-N -1 0 418.413 2.547 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000101389355 560793989 /nfs/dbraw/zinc/79/39/89/560793989.db2.gz VICHWPCFGKJAPF-PMACEKPBSA-N -1 0 405.458 2.852 50 0 HFAARM CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=O ZINC000101456618 560795577 /nfs/dbraw/zinc/79/55/77/560795577.db2.gz BQBTVGWKVKMPEC-IBGZPJMESA-N -1 0 420.469 2.893 50 0 HFAARM CCOc1ccccc1[C@H]1CC(c2c([O-])n(C)c(=S)n(C)c2=O)=NN1C(=O)CC ZINC000101495009 560796086 /nfs/dbraw/zinc/79/60/86/560796086.db2.gz ZOSWXQRJIQXNSZ-CQSZACIVSA-N -1 0 416.503 2.645 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=NN[C@@H](c4ccc(Cl)cc4)C3)c2=O)c1 ZINC000101763015 560800788 /nfs/dbraw/zinc/80/07/88/560800788.db2.gz WDYJDQFIYBYICD-MRXNPFEDSA-N -1 0 410.861 2.940 50 0 HFAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1 ZINC000101892864 560804485 /nfs/dbraw/zinc/80/44/85/560804485.db2.gz LZBLRKVOZHAFNU-SJORKVTESA-N -1 0 420.454 2.952 50 0 HFAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)c1 ZINC000101893328 560804548 /nfs/dbraw/zinc/80/45/48/560804548.db2.gz KCNAULWKOJZNHC-ZWKOTPCHSA-N -1 0 418.413 2.547 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(Cl)cc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893841 560804581 /nfs/dbraw/zinc/80/45/81/560804581.db2.gz SYCNNYUQJCCCED-CVEARBPZSA-N -1 0 408.805 2.883 50 0 HFAARM CCOC(=O)C(C=Nc1ccccc1S(=O)(=O)[N-]c1ccccc1)C(=O)OCC ZINC000102228557 560809035 /nfs/dbraw/zinc/80/90/35/560809035.db2.gz ZXZXMHDCTAIZTD-UHFFFAOYSA-N -1 0 418.471 2.909 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000101165995 560851136 /nfs/dbraw/zinc/85/11/36/560851136.db2.gz KCLQTHJBEAPKGE-PMACEKPBSA-N -1 0 421.457 2.751 50 0 HFAARM O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000051316695 560856466 /nfs/dbraw/zinc/85/64/66/560856466.db2.gz JMWIWIDTIVXBES-UHFFFAOYSA-N -1 0 417.494 2.786 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1C ZINC000049002725 568446171 /nfs/dbraw/zinc/44/61/71/568446171.db2.gz OQOMHILHMYRJPH-ZWKOTPCHSA-N -1 0 402.414 2.847 50 0 HFAARM CCOc1cc(NC(=O)c2ccccc2S(C)(=O)=O)c(C(=O)[O-])cc1OCC ZINC000006850859 568461581 /nfs/dbraw/zinc/46/15/81/568461581.db2.gz MUIGPEZGFNVRQY-UHFFFAOYSA-N -1 0 407.444 2.838 50 0 HFAARM O=C([O-])CC[C@@]1(CCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCC(=O)N1 ZINC000218675613 568482881 /nfs/dbraw/zinc/48/28/81/568482881.db2.gz YDANIAWCDOOBOU-QFIPXVFZSA-N -1 0 404.482 2.901 50 0 HFAARM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000000806143 568487002 /nfs/dbraw/zinc/48/70/02/568487002.db2.gz MVJRAAFFWGXBNN-UHFFFAOYSA-N -1 0 418.471 2.820 50 0 HFAARM Cc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000020035267 568586421 /nfs/dbraw/zinc/58/64/21/568586421.db2.gz LYOQSXPAAXXJGG-PLMLNFJUSA-N -1 0 424.453 2.720 50 0 HFAARM C[C@H](c1ccccc1)n1c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000020757539 568641953 /nfs/dbraw/zinc/64/19/53/568641953.db2.gz NVQXNLLUIAOHIL-SZNDQCEHSA-N -1 0 416.481 2.910 50 0 biogenic HFAARM COc1ccccc1C[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)C(=O)[O-] ZINC000095989884 568677856 /nfs/dbraw/zinc/67/78/56/568677856.db2.gz LCOAONJAMVWDKR-VQTJNVASSA-N -1 0 424.497 2.750 50 0 HFAARM Cc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c(CN(C)C)c1 ZINC000095995765 568678834 /nfs/dbraw/zinc/67/88/34/568678834.db2.gz XPQNPDIOIUJZCP-UHFFFAOYSA-N -1 0 422.981 2.976 50 0 HFAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)nn2cc[nH]c12 ZINC000096013521 568685407 /nfs/dbraw/zinc/68/54/07/568685407.db2.gz LXKSGJVGOKQENO-UHFFFAOYSA-N -1 0 402.354 2.659 50 0 HFAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCSCC2)cc1 ZINC000096118456 568698073 /nfs/dbraw/zinc/69/80/73/568698073.db2.gz XDYZIDWHSGJJEQ-HNNXBMFYSA-N -1 0 405.501 2.717 50 0 HFAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000096319861 568728298 /nfs/dbraw/zinc/72/82/98/568728298.db2.gz FARYJTWZEQLXHM-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM O=C(CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1)NCCc1ccco1 ZINC000021653431 568730674 /nfs/dbraw/zinc/73/06/74/568730674.db2.gz XCQMFTPLWNEVEZ-UHFFFAOYSA-N -1 0 415.393 2.759 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000096361153 568738997 /nfs/dbraw/zinc/73/89/97/568738997.db2.gz DFXZFMMOPIRAGK-UHFFFAOYSA-N -1 0 408.386 2.750 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(F)c(C)c2)cc1 ZINC000096361159 568739024 /nfs/dbraw/zinc/73/90/24/568739024.db2.gz VDQQPTCMUFSITC-UHFFFAOYSA-N -1 0 404.423 2.919 50 0 HFAARM CCOc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000096361146 568739040 /nfs/dbraw/zinc/73/90/40/568739040.db2.gz LZCYJXQUIDOFKZ-UHFFFAOYSA-N -1 0 416.459 2.870 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000096361154 568739043 /nfs/dbraw/zinc/73/90/43/568739043.db2.gz ZNZOOCBOYOSVQZ-UHFFFAOYSA-N -1 0 408.386 2.750 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NC2CCC(C)CC2)cc1 ZINC000096361274 568739358 /nfs/dbraw/zinc/73/93/58/568739358.db2.gz DUCPERAYJHTMAM-UHFFFAOYSA-N -1 0 406.508 2.918 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1C ZINC000096458327 568753974 /nfs/dbraw/zinc/75/39/74/568753974.db2.gz AKAJWZOCIGSRHT-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM O=C(NCCCN1CCOCC1)c1ccc2c(c1)[n-]c(=S)n(C1CCCC1)c2=O ZINC000002971706 568831932 /nfs/dbraw/zinc/83/19/32/568831932.db2.gz ZMNPTFSHNMRAKD-UHFFFAOYSA-N -1 0 416.547 2.626 50 0 HFAARM CCC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012526259 568843267 /nfs/dbraw/zinc/84/32/67/568843267.db2.gz GPSKUSQBNCWQSP-LBPRGKRZSA-N -1 0 402.476 2.575 50 0 HFAARM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012552363 568854187 /nfs/dbraw/zinc/85/41/87/568854187.db2.gz RMVLOIZURFURAH-UHFFFAOYSA-N -1 0 414.814 2.807 50 0 HFAARM CCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000003624501 568864627 /nfs/dbraw/zinc/86/46/27/568864627.db2.gz OQQITEAAWXLNRZ-LJQANCHMSA-N -1 0 420.487 2.928 50 0 HFAARM O=C([O-])COc1ccc(-c2cccs2)cc1CN1CCN(c2ncccn2)CC1 ZINC000299775163 568874493 /nfs/dbraw/zinc/87/44/93/568874493.db2.gz IIEGFMCJLUVOHQ-UHFFFAOYSA-N -1 0 410.499 2.991 50 0 HFAARM NC(=O)c1c(NC(=O)COC(=O)c2ccc([O-])c(Cl)c2)sc2c1CCCC2 ZINC000003358146 568887184 /nfs/dbraw/zinc/88/71/84/568887184.db2.gz LAWUIWWOXVCVCX-UHFFFAOYSA-N -1 0 408.863 2.880 50 0 HFAARM O=C([O-])C=CC(=O)N(Cc1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000001293655 568913033 /nfs/dbraw/zinc/91/30/33/568913033.db2.gz GHYJBKOJTMXARY-OAGJVSPASA-N -1 0 412.829 2.642 50 0 HFAARM O=C(COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccn1)NC1CCCC1 ZINC000016624321 568928618 /nfs/dbraw/zinc/92/86/18/568928618.db2.gz RUCULAQAZLZXLM-UHFFFAOYSA-N -1 0 409.895 2.973 50 0 HFAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006267559 568967332 /nfs/dbraw/zinc/96/73/32/568967332.db2.gz BSKLDUUBOJXPRV-UHFFFAOYSA-N -1 0 413.293 2.626 50 0 HFAARM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006156135 569015472 /nfs/dbraw/zinc/01/54/72/569015472.db2.gz JBAFMMISVXLJAK-YCRREMRBSA-N -1 0 424.438 2.658 50 0 HFAARM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C)c(C(=O)OC)c1C ZINC000013007950 569049824 /nfs/dbraw/zinc/04/98/24/569049824.db2.gz NXWLNRVNKPMXBV-LBPRGKRZSA-N -1 0 411.501 2.978 50 0 HFAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)C1 ZINC000239175846 569054019 /nfs/dbraw/zinc/05/40/19/569054019.db2.gz QSYCNTMPHIJYFN-ZTFGCOKTSA-N -1 0 406.504 2.713 50 0 HFAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1O ZINC000079014679 569064343 /nfs/dbraw/zinc/06/43/43/569064343.db2.gz IZYABLKTIQCIAQ-UHFFFAOYSA-N -1 0 424.660 2.509 50 0 HFAARM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3[nH]nc(-c4ccncc4)c3C)cc21 ZINC000089547779 569070078 /nfs/dbraw/zinc/07/00/78/569070078.db2.gz BGYWNEJCGGOWSO-UHFFFAOYSA-N -1 0 411.487 2.880 50 0 HFAARM COc1c(Br)cc(C=C2NC(=S)NC2=O)c([O-])c1Br ZINC000002067899 569073811 /nfs/dbraw/zinc/07/38/11/569073811.db2.gz SXRFSHQJTLAUJM-ZZXKWVIFSA-N -1 0 408.071 2.682 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000006730389 569102941 /nfs/dbraw/zinc/10/29/41/569102941.db2.gz QQUBBIBTWDRYPL-UHFFFAOYSA-N -1 0 402.472 2.804 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3F)s2)cc1 ZINC000006778457 569118864 /nfs/dbraw/zinc/11/88/64/569118864.db2.gz PNGKIILIGTWYLW-UHFFFAOYSA-N -1 0 408.436 2.739 50 0 HFAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000006784598 569120959 /nfs/dbraw/zinc/12/09/59/569120959.db2.gz UBQPQMMXAXKQBR-UHFFFAOYSA-N -1 0 400.279 2.628 50 0 HFAARM COc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c1 ZINC000036356911 569148588 /nfs/dbraw/zinc/14/85/88/569148588.db2.gz OBKPJGBWXQYIJP-OAQYLSRUSA-N -1 0 423.469 2.833 50 0 HFAARM Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c1C(=O)[O-] ZINC000036357178 569148840 /nfs/dbraw/zinc/14/88/40/569148840.db2.gz UOSXKQVIMNWLMI-HXUWFJFHSA-N -1 0 411.433 2.964 50 0 HFAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c[nH]cn3)c3ccccc3)C2=O)cc1 ZINC000006908827 569178769 /nfs/dbraw/zinc/17/87/69/569178769.db2.gz FMWHJYJMPPLLDT-FMQUCBEESA-N -1 0 415.453 2.545 50 0 HFAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000007421302 569237700 /nfs/dbraw/zinc/23/77/00/569237700.db2.gz PAAORYFLBRPKHG-ZDUSSCGKSA-N -1 0 401.488 2.900 50 0 HFAARM CC1=NN(c2ccccc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000013590384 569256607 /nfs/dbraw/zinc/25/66/07/569256607.db2.gz UCDKVMBDNPUDDV-WJDWOHSUSA-N -1 0 422.828 2.691 50 0 HFAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CC(=O)N2CCOCC2)cc1 ZINC000013848992 569258025 /nfs/dbraw/zinc/25/80/25/569258025.db2.gz KQVUYOVUKPDVTK-UHFFFAOYSA-N -1 0 424.906 2.551 50 0 HFAARM Cc1cc(NC(=O)C2CC2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1 ZINC000017135704 569275303 /nfs/dbraw/zinc/27/53/03/569275303.db2.gz JSXOWEVZOXFXLJ-UHFFFAOYSA-N -1 0 403.446 2.981 50 0 HFAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)N1CCOCC1 ZINC000006742021 569280122 /nfs/dbraw/zinc/28/01/22/569280122.db2.gz QYPOMAQEIRGJFI-CABCVRRESA-N -1 0 406.504 2.697 50 0 HFAARM CCC[C@@H](NC(=O)COc1ccc2c(c1)occ(-c1csc(C)n1)c2=O)C(=O)[O-] ZINC000002098105 569281032 /nfs/dbraw/zinc/28/10/32/569281032.db2.gz FELXDYZMOAIMQQ-OAHLLOKOSA-N -1 0 416.455 2.973 50 0 biogenic HFAARM Cc1cc(OCC(=O)N[C@H](C(=O)[O-])c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002114922 569284491 /nfs/dbraw/zinc/28/44/91/569284491.db2.gz KTXGWIJAWIQNSQ-NRFANRHFSA-N -1 0 407.422 2.911 50 0 biogenic HFAARM CSC[C@@H](NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002275330 569327758 /nfs/dbraw/zinc/32/77/58/569327758.db2.gz FIXCNOZROSYGJD-ZFOVBUMHSA-N -1 0 402.447 2.529 50 0 HFAARM [O-]C(c1cccs1)=C1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011990808 569399275 /nfs/dbraw/zinc/39/92/75/569399275.db2.gz JFYMLPYODLEHIC-HUBLWGQQSA-N -1 0 402.419 2.723 50 0 HFAARM [O-]C(c1cccs1)=C1[C@@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011990809 569399305 /nfs/dbraw/zinc/39/93/05/569399305.db2.gz JFYMLPYODLEHIC-ZOWXZIJZSA-N -1 0 402.419 2.723 50 0 HFAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cnc3c(Br)cccn23)c1 ZINC000328593977 569415685 /nfs/dbraw/zinc/41/56/85/569415685.db2.gz FQCJPMZQDPCDDO-UHFFFAOYSA-N -1 0 410.249 2.684 50 0 HFAARM COC(=O)[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1)C(C)(C)C ZINC000078986698 569422928 /nfs/dbraw/zinc/42/29/28/569422928.db2.gz XDCJRFIVGNVQNK-GFCCVEGCSA-N -1 0 410.414 2.574 50 0 HFAARM COc1cc2c(c3oc(=O)c(CC(=O)NCCCC(=O)[O-])c(C)c13)CCC(C)(C)O2 ZINC000008764912 571115022 /nfs/dbraw/zinc/11/50/22/571115022.db2.gz FLDGBRWZDUOWBP-UHFFFAOYSA-N -1 0 417.458 2.737 50 0 biogenic HFAARM CCCc1cc(=O)[nH]c(SCC(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)n1 ZINC000008892245 571142630 /nfs/dbraw/zinc/14/26/30/571142630.db2.gz SFAJFYHUNSESKG-HNNXBMFYSA-N -1 0 405.476 2.568 50 0 HFAARM Cc1cccc(C)c1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O ZINC000040267418 571214499 /nfs/dbraw/zinc/21/44/99/571214499.db2.gz OGKIOWLIEBUJSI-UHFFFAOYSA-N -1 0 403.485 2.742 50 0 HFAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009256702 571243613 /nfs/dbraw/zinc/24/36/13/571243613.db2.gz XUWYOOANMKYTTN-HNNXBMFYSA-N -1 0 414.911 2.594 50 0 HFAARM COc1cc(-c2c3c(C)nn(-c4ccccc4)c3[nH]c3nc(=O)[n-]c(=O)c2-3)ccc1O ZINC000009547886 571267759 /nfs/dbraw/zinc/26/77/59/571267759.db2.gz ULFIRKUJRGAMPT-UHFFFAOYSA-N -1 0 415.409 2.640 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc(OC)c1 ZINC000009684069 571279355 /nfs/dbraw/zinc/27/93/55/571279355.db2.gz KSHLPMASTWQBCJ-UHFFFAOYSA-N -1 0 407.492 2.686 50 0 HFAARM Cc1cc([C@H](C)Nc2ccccc2C(=O)[O-])c2nc(N3CCOCC3)cc(=O)n2c1 ZINC000038628586 571313988 /nfs/dbraw/zinc/31/39/88/571313988.db2.gz IRTDIKMSKMREGO-HNNXBMFYSA-N -1 0 408.458 2.711 50 0 in-vitro HFAARM O=C([O-])CSCC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000004324522 132275446 /nfs/dbraw/zinc/27/54/46/132275446.db2.gz JTSUAIPIJIOQID-UHFFFAOYSA-N -1 0 413.421 2.720 50 0 HFAARM COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c(OC)c1OC ZINC000004386317 132276217 /nfs/dbraw/zinc/27/62/17/132276217.db2.gz AOJYKLFXUSLAAF-UHFFFAOYSA-N -1 0 402.447 2.859 50 0 HFAARM CCC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)OC)ccc21 ZINC000004885031 132291574 /nfs/dbraw/zinc/29/15/74/132291574.db2.gz FIGNCYBEZVBROH-UHFFFAOYSA-N -1 0 402.472 2.963 50 0 HFAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000012180481 132355784 /nfs/dbraw/zinc/35/57/84/132355784.db2.gz PEHYOHYWSAYQSM-UHFFFAOYSA-N -1 0 416.471 2.868 50 0 HFAARM Cc1cccc(N2CCN(c3ccc(NS(C)(=O)=O)cc3C(=O)[O-])C[C@H]2C)c1 ZINC000021883412 132473922 /nfs/dbraw/zinc/47/39/22/132473922.db2.gz BGXOWQXDARLBJH-OAHLLOKOSA-N -1 0 403.504 2.780 50 0 HFAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)cc1C(=O)[O-] ZINC000033259900 132781370 /nfs/dbraw/zinc/78/13/70/132781370.db2.gz KJEBVJHCXYUMQL-UHFFFAOYSA-N -1 0 403.504 2.781 50 0 HFAARM CCOc1ccc2nc(C)cc(SC[C@H](NC(=O)CCC(=O)[O-])C(=O)OC)c2c1 ZINC000044920030 521298270 /nfs/dbraw/zinc/29/82/70/521298270.db2.gz VDKKEOPBTRVLNP-INIZCTEOSA-N -1 0 420.487 2.557 50 0 HFAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)cc2)C1 ZINC000032081761 526316722 /nfs/dbraw/zinc/31/67/22/526316722.db2.gz QBNUEPOSVFXXRD-HNNXBMFYSA-N -1 0 414.483 2.804 50 0 HFAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCOCC3)c([O-])n2n1 ZINC000022626622 557105944 /nfs/dbraw/zinc/10/59/44/557105944.db2.gz QYOSSLGJEIUBJU-CYBMUJFWSA-N -1 0 409.309 2.989 50 0 HFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)n1 ZINC000000892638 557112656 /nfs/dbraw/zinc/11/26/56/557112656.db2.gz VFSIYISBDRTWGH-OAHLLOKOSA-N -1 0 412.471 2.992 50 0 HFAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1OC ZINC000001136141 557201176 /nfs/dbraw/zinc/20/11/76/557201176.db2.gz MENWCWMYHODXDI-UHFFFAOYSA-N -1 0 406.460 2.676 50 0 HFAARM O=C([O-])[C@H](Cc1cn(C(=O)OCc2ccccc2)cn1)NC(=O)OCc1ccccc1 ZINC000002555062 557356080 /nfs/dbraw/zinc/35/60/80/557356080.db2.gz FGLXUCKEBNGNEL-IBGZPJMESA-N -1 0 423.425 2.990 50 0 HFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]NC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000002855520 557406880 /nfs/dbraw/zinc/40/68/80/557406880.db2.gz PUMFCMIKIBREAH-UHFFFAOYSA-N -1 0 412.924 2.787 50 0 HFAARM O=C([O-])CCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 ZINC000002953099 557430449 /nfs/dbraw/zinc/43/04/49/557430449.db2.gz YWHIKIHEOSNENT-FOWTUZBSSA-N -1 0 417.259 2.811 50 0 HFAARM Cc1ccc(C(=O)N/C(=C/c2cccc(Br)c2)C(=O)NCC(=O)[O-])cc1 ZINC000002982893 557435965 /nfs/dbraw/zinc/43/59/65/557435965.db2.gz FFDKUXIFJYNOPQ-MHWRWJLKSA-N -1 0 417.259 2.729 50 0 HFAARM CCOc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3OC)c(=O)[n-]2)c1 ZINC000034764819 557461689 /nfs/dbraw/zinc/46/16/89/557461689.db2.gz WBEDWGWMBHQZNT-UHFFFAOYSA-N -1 0 422.485 2.943 50 0 HFAARM CSc1sc(C(=O)[O-])c(I)c1S(=O)(=O)C(C)C ZINC000004266738 557533811 /nfs/dbraw/zinc/53/38/11/557533811.db2.gz JZPDZYQLJHQPEI-UHFFFAOYSA-N -1 0 406.288 2.955 50 0 HFAARM O=C([N-]C(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Br)cc1F ZINC000004382852 557549402 /nfs/dbraw/zinc/54/94/02/557549402.db2.gz LVRFHPJWPSQNBA-UHFFFAOYSA-N -1 0 401.138 2.762 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)s3)cc2)ncn1 ZINC000004749104 557592555 /nfs/dbraw/zinc/59/25/55/557592555.db2.gz FRWCASPAEGUDMC-UHFFFAOYSA-N -1 0 404.473 2.908 50 0 HFAARM Cc1ccc(-c2nc(N(C)CC(=O)[O-])ncc2-c2nnnn2-c2ccccc2)cc1 ZINC000005942499 557681804 /nfs/dbraw/zinc/68/18/04/557681804.db2.gz TUCBWMJIMJENOF-UHFFFAOYSA-N -1 0 401.430 2.616 50 0 HFAARM CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000006162643 557692476 /nfs/dbraw/zinc/69/24/76/557692476.db2.gz VYARKLLAQHGQGE-UHFFFAOYSA-N -1 0 416.377 2.808 50 0 HFAARM CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)CC(=O)[O-])CC2)cc1 ZINC000006731118 557718069 /nfs/dbraw/zinc/71/80/69/557718069.db2.gz ZMKUGLOVVUPMOZ-HOTGVXAUSA-N -1 0 410.536 2.534 50 0 HFAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000006730721 557718082 /nfs/dbraw/zinc/71/80/82/557718082.db2.gz DXDJZDUZHWFDIE-UONOGXRCSA-N -1 0 418.515 2.705 50 0 HFAARM COCCn1c(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2[n-]c1=S ZINC000003043828 557786961 /nfs/dbraw/zinc/78/69/61/557786961.db2.gz CCEBMNYPKPKJTC-UHFFFAOYSA-N -1 0 417.918 2.958 50 0 HFAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000009674874 557848338 /nfs/dbraw/zinc/84/83/38/557848338.db2.gz FMZRSDPJUYDBCT-IAGOWNOFSA-N -1 0 415.812 2.719 50 0 HFAARM O=C([O-])C=CC(=O)N(Cc1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000020130692 558337275 /nfs/dbraw/zinc/33/72/75/558337275.db2.gz GHYJBKOJTMXARY-FVNWOWOISA-N -1 0 412.829 2.642 50 0 HFAARM COc1ccc(-c2nn(CC(=O)[O-])cc2C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc1 ZINC000012370961 558389233 /nfs/dbraw/zinc/38/92/33/558389233.db2.gz LJKCBYVCOWZLBE-GORDUTHDSA-N -1 0 420.347 2.916 50 0 HFAARM COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000012382146 558393536 /nfs/dbraw/zinc/39/35/36/558393536.db2.gz ZJBIJSUYQLDEFH-MOKGIYGOSA-N -1 0 400.431 2.675 50 0 HFAARM COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)ccc1NC(C)=O ZINC000013075206 558512145 /nfs/dbraw/zinc/51/21/45/558512145.db2.gz ITRNIDKKHWHFDN-UHFFFAOYSA-N -1 0 419.503 2.840 50 0 HFAARM COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc([N-]S(C)(=O)=O)nc3N2)cc1 ZINC000013123186 558517860 /nfs/dbraw/zinc/51/78/60/558517860.db2.gz UUPPZSRCKSMNLG-DLBZAZTESA-N -1 0 417.466 2.944 50 0 HFAARM CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cc1 ZINC000022990112 558529205 /nfs/dbraw/zinc/52/92/05/558529205.db2.gz FIUNWBPOKFFNGU-UHFFFAOYSA-N -1 0 418.471 2.640 50 0 HFAARM Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)N(Cc2ccccc2)c2ccccn2)n1 ZINC000006056173 558562658 /nfs/dbraw/zinc/56/26/58/558562658.db2.gz DOYAODUVGPKLJZ-UHFFFAOYSA-N -1 0 412.475 2.562 50 0 HFAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)c1 ZINC000024345601 558595492 /nfs/dbraw/zinc/59/54/92/558595492.db2.gz ZISQEACOVNMJHM-UHFFFAOYSA-N -1 0 410.879 2.764 50 0 HFAARM O=C([O-])CN1CCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000014632680 558662453 /nfs/dbraw/zinc/66/24/53/558662453.db2.gz ZYSRRJZAOFHCSC-FQEVSTJZSA-N -1 0 408.454 2.991 50 0 HFAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)cc1OC ZINC000026536389 558662745 /nfs/dbraw/zinc/66/27/45/558662745.db2.gz PNYUEYYNOJZRMR-UHFFFAOYSA-N -1 0 424.479 2.923 50 0 HFAARM CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017092192 558820669 /nfs/dbraw/zinc/82/06/69/558820669.db2.gz OECUZLPTXAWNBR-LBPRGKRZSA-N -1 0 420.487 2.826 50 0 HFAARM CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017093212 558821528 /nfs/dbraw/zinc/82/15/28/558821528.db2.gz LXLXHBIYWITRBZ-MOPGFXCFSA-N -1 0 422.547 2.534 50 0 HFAARM CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000058146753 558902116 /nfs/dbraw/zinc/90/21/16/558902116.db2.gz GKDNWRRTJWVDIH-UHFFFAOYSA-N -1 0 416.459 2.538 50 0 HFAARM Cc1ccc2[nH]cc(-c3cc(C(=O)[O-])cc(S(=O)(=O)N4CCOCC4)c3)c2c1 ZINC000071752507 558909241 /nfs/dbraw/zinc/90/92/41/558909241.db2.gz VNVDLUQFYLFYEW-UHFFFAOYSA-N -1 0 400.456 2.862 50 0 HFAARM CS(=O)(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC000033259921 558928655 /nfs/dbraw/zinc/92/86/55/558928655.db2.gz HVFUVGBIXOYKRT-UHFFFAOYSA-N -1 0 409.895 2.736 50 0 HFAARM Cc1nc(C(=O)N2CCc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3C2)cs1 ZINC000077422657 559004632 /nfs/dbraw/zinc/00/46/32/559004632.db2.gz UTVYPESGGOGOEH-UHFFFAOYSA-N -1 0 414.512 2.846 50 0 HFAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(F)c3)[n-]c2=O)cc1 ZINC000011340505 559056521 /nfs/dbraw/zinc/05/65/21/559056521.db2.gz XWKXOADQMLINMV-UHFFFAOYSA-N -1 0 400.435 2.634 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4Cl)c=3c2=O)cc1 ZINC000100033170 559128898 /nfs/dbraw/zinc/12/88/98/559128898.db2.gz LEJPCKKKWVMJFH-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)cc1 ZINC000100033189 559128900 /nfs/dbraw/zinc/12/89/00/559128900.db2.gz YNVBAMHOAFRANN-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM COC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000103129991 559154641 /nfs/dbraw/zinc/15/46/41/559154641.db2.gz BNFAIQBZXQFKSK-HOCLYGCPSA-N -1 0 418.236 2.901 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1C ZINC000004992493 559224991 /nfs/dbraw/zinc/22/49/91/559224991.db2.gz UWJRNKAAFDPWGJ-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000005075814 559241003 /nfs/dbraw/zinc/24/10/03/559241003.db2.gz SUANXXWEQBIPKM-UHFFFAOYSA-N -1 0 410.517 2.653 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011795913 559259810 /nfs/dbraw/zinc/25/98/10/559259810.db2.gz KHYBXMGNHYVSAP-INIZCTEOSA-N -1 0 405.501 2.505 50 0 HFAARM COc1ccc(N2N=C(C(C)=O)C3=C([O-])N(c4cccc(Cl)c4C)C(=O)[C@H]32)cc1 ZINC000005180604 559289610 /nfs/dbraw/zinc/28/96/10/559289610.db2.gz NBMUROVNAAZXJE-MJGOQNOKSA-N -1 0 411.845 2.980 50 0 HFAARM CSC[C@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] ZINC000033915825 559292439 /nfs/dbraw/zinc/29/24/39/559292439.db2.gz FIXCNOZROSYGJD-YTBHAWNYSA-N -1 0 402.447 2.529 50 0 HFAARM Nc1nc(O)c([C@]2(O)c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)s1 ZINC000017878903 560729852 /nfs/dbraw/zinc/72/98/52/560729852.db2.gz UINSKUUFZXNLBL-KBXCAEBGSA-N -1 0 422.293 2.685 50 0 HFAARM CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C=O)C[C@H]1C(=O)[O-] ZINC000169725227 560765758 /nfs/dbraw/zinc/76/57/58/560765758.db2.gz RPNMHFZDMDHTIO-AWEZNQCLSA-N -1 0 413.268 2.772 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCc3ccccc3)cs2)cc1 ZINC000011693233 560773551 /nfs/dbraw/zinc/77/35/51/560773551.db2.gz BCXFWFYUCTXVNL-UHFFFAOYSA-N -1 0 403.485 2.883 50 0 HFAARM CCC(Nc1cccc(C(=O)OC)c1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000018142276 560779775 /nfs/dbraw/zinc/77/97/75/560779775.db2.gz XLHDFBGCRFCGKL-ISLYRVAYSA-N -1 0 407.426 2.828 50 0 HFAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101168591 560787516 /nfs/dbraw/zinc/78/75/16/560787516.db2.gz VZTSNZSOOGQFLL-DLBZAZTESA-N -1 0 400.822 2.851 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000101169619 560787737 /nfs/dbraw/zinc/78/77/37/560787737.db2.gz LNQLWRWPXZVHSI-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1OC ZINC000101170665 560787936 /nfs/dbraw/zinc/78/79/36/560787936.db2.gz KJWXBROZRVDROM-SJORKVTESA-N -1 0 400.822 2.851 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(C)c1 ZINC000101170641 560787939 /nfs/dbraw/zinc/78/79/39/560787939.db2.gz ZZEUCFPIZWWQHY-VQTJNVASSA-N -1 0 405.458 2.852 50 0 HFAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101174353 560787977 /nfs/dbraw/zinc/78/79/77/560787977.db2.gz ZAIMIQWWHRAJGU-RTBURBONSA-N -1 0 409.421 2.881 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000101277615 560790383 /nfs/dbraw/zinc/79/03/83/560790383.db2.gz RCBYEWRYGDSUTI-QZTJIDSGSA-N -1 0 418.413 2.547 50 0 HFAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101417006 560794680 /nfs/dbraw/zinc/79/46/80/560794680.db2.gz IBFYTYZWEZEQPO-WOJBJXKFSA-N -1 0 421.457 2.751 50 0 HFAARM CCOc1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(=O)CC)cc1 ZINC000101495701 560796221 /nfs/dbraw/zinc/79/62/21/560796221.db2.gz PGVKLPHMRCVTIS-HNNXBMFYSA-N -1 0 416.503 2.645 50 0 HFAARM Cn1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c1[O-] ZINC000101767275 560799816 /nfs/dbraw/zinc/79/98/16/560799816.db2.gz LXBZWGDMSUPLQN-QGZVFWFLSA-N -1 0 423.450 2.866 50 0 HFAARM Cc1cccc(-c2nn3c([n-]2)nc(CN2CCN(c4ccc(F)cc4)CC2)cc3=O)c1 ZINC000101748026 560800273 /nfs/dbraw/zinc/80/02/73/560800273.db2.gz FEMJOCQEOYGCTD-UHFFFAOYSA-N -1 0 418.476 2.854 50 0 HFAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)c1 ZINC000013361246 560806053 /nfs/dbraw/zinc/80/60/53/560806053.db2.gz VBRCVHLAHIENBY-UHFFFAOYSA-N -1 0 414.233 2.719 50 0 HFAARM COc1ccc(C2(C(=O)N3CCc4c(nc5cc[n-]n5c4=O)C3)CCCCC2)cc1 ZINC000102990055 560836037 /nfs/dbraw/zinc/83/60/37/560836037.db2.gz BIJPHYAFDMBJJH-UHFFFAOYSA-N -1 0 406.486 2.818 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000101169600 560851210 /nfs/dbraw/zinc/85/12/10/560851210.db2.gz NRYCTGXFPDVRTL-IRXDYDNUSA-N -1 0 415.812 2.719 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(F)c5)c(=O)c3=4)n2)cc1 ZINC000101272606 560851465 /nfs/dbraw/zinc/85/14/65/560851465.db2.gz INOYWDZQCWKRNF-IRXDYDNUSA-N -1 0 424.367 2.817 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)cc1C ZINC000101277488 560851482 /nfs/dbraw/zinc/85/14/82/560851482.db2.gz CGUDLPOXOACCTN-ROUUACIJSA-N -1 0 402.414 2.847 50 0 HFAARM CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)NC(C)(C)C)cc1 ZINC000051316523 560856369 /nfs/dbraw/zinc/85/63/69/560856369.db2.gz CJAGZHMDUADSBH-UHFFFAOYSA-N -1 0 401.492 2.514 50 0 HFAARM Cc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)cc1 ZINC000113563590 568453126 /nfs/dbraw/zinc/45/31/26/568453126.db2.gz ZLGAIBQEMDAYOC-OAGJVSPASA-N -1 0 410.451 2.999 50 0 HFAARM COc1ccc(S(=O)(=O)N[C@H](C)CCC(C)C)c([N-]S(=O)(=O)C(F)F)c1 ZINC000095445403 568611769 /nfs/dbraw/zinc/61/17/69/568611769.db2.gz SEBSPDPTQODPJQ-LLVKDONJSA-N -1 0 414.496 2.763 50 0 HFAARM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]c3cccnc3)c(Cl)c2o1 ZINC000095451080 568614503 /nfs/dbraw/zinc/61/45/03/568614503.db2.gz WSSQLGYBYYEOCN-UHFFFAOYSA-N -1 0 404.629 2.733 50 0 HFAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000095532132 568635317 /nfs/dbraw/zinc/63/53/17/568635317.db2.gz VWOQRVLQOOMITG-SFHVURJKSA-N -1 0 415.471 2.601 50 0 HFAARM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000095945396 568663388 /nfs/dbraw/zinc/66/33/88/568663388.db2.gz AMRZKUILHFDTOP-UHFFFAOYSA-N -1 0 424.544 2.632 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCN2C)ccc1C ZINC000095956560 568669538 /nfs/dbraw/zinc/66/95/38/568669538.db2.gz CQMKIAHCYXRTQB-KRWDZBQOSA-N -1 0 403.504 2.837 50 0 HFAARM Cc1nc(COc2ccccc2C(=O)N2CCC(n3cccc3C(=O)[O-])CC2)no1 ZINC000095970567 568671527 /nfs/dbraw/zinc/67/15/27/568671527.db2.gz NFUXHGNHGYIEAX-UHFFFAOYSA-N -1 0 410.430 2.934 50 0 HFAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 ZINC000096025908 568686497 /nfs/dbraw/zinc/68/64/97/568686497.db2.gz UTOZCJPJVTVEME-MRXNPFEDSA-N -1 0 418.519 2.615 50 0 HFAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C(=O)NCc1cc(F)cc(F)c1 ZINC000096361033 568739016 /nfs/dbraw/zinc/73/90/16/568739016.db2.gz FUVPYTSMONCMMC-UHFFFAOYSA-N -1 0 424.404 2.866 50 0 HFAARM Cc1c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c(=O)n(-c2ccccc2)n1C ZINC000000948516 568754698 /nfs/dbraw/zinc/75/46/98/568754698.db2.gz PAUPSGFIYPXNHI-BTYIYWSLSA-N -1 0 417.531 2.622 50 0 HFAARM CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000000956489 568757742 /nfs/dbraw/zinc/75/77/42/568757742.db2.gz OIBOADITKNFQLF-UHFFFAOYSA-N -1 0 412.471 2.857 50 0 HFAARM O=C(c1ccco1)N1CCN([C@H](c2sc3ncnn3c2[O-])c2ccccc2)CC1 ZINC000022609211 568771616 /nfs/dbraw/zinc/77/16/16/568771616.db2.gz SZEXHZPBHMKPLF-INIZCTEOSA-N -1 0 409.471 2.637 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000028201853 568782179 /nfs/dbraw/zinc/78/21/79/568782179.db2.gz XKNAKEBCBBNAHK-UHFFFAOYSA-N -1 0 414.487 2.513 50 0 HFAARM CCOc1ccc(Cn2cc([N-]S(=O)(=O)c3cn(C)nc3C)cn2)cc1OCC ZINC000002805172 568811614 /nfs/dbraw/zinc/81/16/14/568811614.db2.gz DRIPVVSJZCMBRH-UHFFFAOYSA-N -1 0 419.507 2.572 50 0 HFAARM Cc1cccc(-c2nnc(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[n-]2)c1 ZINC000034768751 568825907 /nfs/dbraw/zinc/82/59/07/568825907.db2.gz CJVFXHSIKJUMIA-UHFFFAOYSA-N -1 0 403.486 2.834 50 0 HFAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@H]1CCCCNC1=O ZINC000012536217 568845521 /nfs/dbraw/zinc/84/55/21/568845521.db2.gz DBWGWKYGKSXPJL-KRWDZBQOSA-N -1 0 420.462 2.760 50 0 HFAARM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000012584441 568865831 /nfs/dbraw/zinc/86/58/31/568865831.db2.gz JRQXJLNHYVFJNZ-UHFFFAOYSA-N -1 0 422.450 2.976 50 0 HFAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000003305394 568877420 /nfs/dbraw/zinc/87/74/20/568877420.db2.gz SXDZQYUEEDAZTK-UHFFFAOYSA-N -1 0 413.528 2.807 50 0 HFAARM COc1ccccc1CNC(=O)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012627987 568881741 /nfs/dbraw/zinc/88/17/41/568881741.db2.gz CAWUZIKKTMWWIV-UHFFFAOYSA-N -1 0 403.485 2.883 50 0 HFAARM O=C(Nc1ccc2c(c1)OCCO2)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628089 568881981 /nfs/dbraw/zinc/88/19/81/568881981.db2.gz HDCPROIQCWAEEF-UHFFFAOYSA-N -1 0 417.468 2.967 50 0 HFAARM Cc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000004030008 568934515 /nfs/dbraw/zinc/93/45/15/568934515.db2.gz GJQTVFKPQUPIAL-INIZCTEOSA-N -1 0 401.459 2.975 50 0 biogenic HFAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(NC(=O)c3ccco3)s1)C2=O ZINC000012759933 568944047 /nfs/dbraw/zinc/94/40/47/568944047.db2.gz KDLCSDSKGLZPOF-UHFFFAOYSA-N -1 0 416.459 2.739 50 0 HFAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000004204783 568951517 /nfs/dbraw/zinc/95/15/17/568951517.db2.gz NLTFNNXKOGTGNP-SUMWQHHRSA-N -1 0 407.444 2.832 50 0 HFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000008135473 568976987 /nfs/dbraw/zinc/97/69/87/568976987.db2.gz VATKJCVEDRDVDW-IBGZPJMESA-N -1 0 418.453 2.539 50 0 HFAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccco1 ZINC000006088996 568998974 /nfs/dbraw/zinc/99/89/74/568998974.db2.gz UJIULNWMHKQJOT-UHFFFAOYSA-N -1 0 408.486 2.664 50 0 HFAARM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc21 ZINC000015781511 569002741 /nfs/dbraw/zinc/00/27/41/569002741.db2.gz WOZBXNYFEWMGFG-UHFFFAOYSA-N -1 0 400.547 2.960 50 0 HFAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000006623398 569075090 /nfs/dbraw/zinc/07/50/90/569075090.db2.gz DZKDWWZRJGROGJ-CYBMUJFWSA-N -1 0 419.503 2.983 50 0 HFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1F ZINC000006623248 569075093 /nfs/dbraw/zinc/07/50/93/569075093.db2.gz YRABFJVZKFPMFT-UHFFFAOYSA-N -1 0 410.448 2.698 50 0 HFAARM Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)[O-])c12)OC(C)(C)CC3 ZINC000006623944 569075363 /nfs/dbraw/zinc/07/53/63/569075363.db2.gz YVARRMRHNHPTMF-AWEZNQCLSA-N -1 0 415.442 2.659 50 0 biogenic HFAARM CCCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](C)C(=O)[O-])c12)OC(C)(C)CC3 ZINC000006624624 569075574 /nfs/dbraw/zinc/07/55/74/569075574.db2.gz LAZOUVLTXAEPOD-LBPRGKRZSA-N -1 0 417.458 2.817 50 0 biogenic HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2 ZINC000006750927 569109964 /nfs/dbraw/zinc/10/99/64/569109964.db2.gz UURSOTXSBVFFQH-UYAOXDASSA-N -1 0 421.453 2.691 50 0 HFAARM CC(C)Oc1ccc(CNC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000006759671 569113751 /nfs/dbraw/zinc/11/37/51/569113751.db2.gz MEELQIZWZCTXSA-UHFFFAOYSA-N -1 0 402.472 2.977 50 0 HFAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000036354103 569147938 /nfs/dbraw/zinc/14/79/38/569147938.db2.gz YAFGEVKVCNMDBP-JOCHJYFZSA-N -1 0 407.470 2.669 50 0 HFAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3)c2)no1)N1CCCC1 ZINC000065097476 569176620 /nfs/dbraw/zinc/17/66/20/569176620.db2.gz CAJLAIRSPMBXNN-UHFFFAOYSA-N -1 0 404.473 2.835 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000006937874 569185382 /nfs/dbraw/zinc/18/53/82/569185382.db2.gz HVHMVWZXYYURRB-LJQANCHMSA-N -1 0 416.499 2.969 50 0 HFAARM O=S(=O)([N-]c1nccs1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000170598631 569242576 /nfs/dbraw/zinc/24/25/76/569242576.db2.gz HFKFHWVSLJNZQI-UHFFFAOYSA-N -1 0 401.535 2.555 50 0 HFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000170623109 569249638 /nfs/dbraw/zinc/24/96/38/569249638.db2.gz HETBIKMHZZTEOH-VXGBXAGGSA-N -1 0 412.439 2.620 50 0 HFAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)N1CCOCC1 ZINC000006742024 569280140 /nfs/dbraw/zinc/28/01/40/569280140.db2.gz QYPOMAQEIRGJFI-LSDHHAIUSA-N -1 0 406.504 2.697 50 0 HFAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2oc1=O ZINC000002092011 569280554 /nfs/dbraw/zinc/28/05/54/569280554.db2.gz POMATNVBANMBGM-KXBFYZLASA-N -1 0 409.438 2.989 50 0 biogenic HFAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000002113279 569284107 /nfs/dbraw/zinc/28/41/07/569284107.db2.gz DVENOBKUOSDRQE-MRXNPFEDSA-N -1 0 401.802 2.637 50 0 biogenic HFAARM Cc1cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002121384 569285628 /nfs/dbraw/zinc/28/56/28/569285628.db2.gz BFZRBGGLQRZFGI-BBRMVZONSA-N -1 0 401.459 2.973 50 0 biogenic HFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 ZINC000253420741 569367964 /nfs/dbraw/zinc/36/79/64/569367964.db2.gz LJJNNLKABUTXSB-UHFFFAOYSA-N -1 0 416.528 2.696 50 0 HFAARM O=C([O-])c1ccc(NC(=O)C(=O)NN=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002317237 569373120 /nfs/dbraw/zinc/37/31/20/569373120.db2.gz VAZSWYMUYICMRR-OTQCRUNXSA-N -1 0 416.777 2.613 50 0 HFAARM CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000253487108 569381820 /nfs/dbraw/zinc/38/18/20/569381820.db2.gz FAUIDMFIOTWXTC-UKPHBRMFSA-N -1 0 418.494 2.833 50 0 HFAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCOc2ccccc2)[C@H](O)C[C@@H]1O ZINC000027647177 569385694 /nfs/dbraw/zinc/38/56/94/569385694.db2.gz UUTUTDVOWPRLDV-GESHSCTDSA-N -1 0 404.503 2.932 50 0 in-vitro HFAARM [O-]c1c([C@H](c2ccc(Br)cc2F)N2CCOCC2)sc2ncnn12 ZINC000252478247 569387558 /nfs/dbraw/zinc/38/75/58/569387558.db2.gz AGINKKWDTQDUKM-LBPRGKRZSA-N -1 0 413.272 2.820 50 0 HFAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008694589 571102261 /nfs/dbraw/zinc/10/22/61/571102261.db2.gz QUCCZQOGHQTQKT-WMZHIEFXSA-N -1 0 419.437 2.600 50 0 HFAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000008694582 571102305 /nfs/dbraw/zinc/10/23/05/571102305.db2.gz VFSPTJATRPQFKQ-XXBNENTESA-N -1 0 405.454 2.880 50 0 HFAARM O=C1[N-]C(=O)[C@@]2(Cc3cccc(F)c3N3CCSC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694628 571102616 /nfs/dbraw/zinc/10/26/16/571102616.db2.gz QAAVQFGXSNZOPE-IERDGZPVSA-N -1 0 411.458 2.573 50 0 HFAARM CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCC3CCC(C(=O)[O-])CC3)cc2O1 ZINC000008764450 571114701 /nfs/dbraw/zinc/11/47/01/571114701.db2.gz TTZOCWWUKXKDJB-UHFFFAOYSA-N -1 0 405.447 2.522 50 0 HFAARM CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000008995708 571208494 /nfs/dbraw/zinc/20/84/94/571208494.db2.gz KAHOOFXNRWPHND-YEWWUXTCSA-N -1 0 418.494 2.834 50 0 biogenic HFAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(Cl)cc3Cl)NN2)C1=O ZINC000009058785 571217072 /nfs/dbraw/zinc/21/70/72/571217072.db2.gz MLJUQGVIAWODJZ-JOLOJFPGSA-N -1 0 413.261 2.742 50 0 HFAARM CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)cc1 ZINC000009673756 571278730 /nfs/dbraw/zinc/27/87/30/571278730.db2.gz LJFJRBBGJSVZJX-OAHLLOKOSA-N -1 0 421.500 2.662 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1OC ZINC000009684031 571279345 /nfs/dbraw/zinc/27/93/45/571279345.db2.gz HJJCXMNYYIRPPP-UHFFFAOYSA-N -1 0 407.492 2.686 50 0 HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)n1C ZINC000009685180 571279702 /nfs/dbraw/zinc/27/97/02/571279702.db2.gz HZJYCRZUTJFQLC-UHFFFAOYSA-N -1 0 411.911 2.569 50 0 HFAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CCCCC1 ZINC000071802784 571301588 /nfs/dbraw/zinc/30/15/88/571301588.db2.gz LFDKMNAIAVFWDY-LBPRGKRZSA-N -1 0 409.280 2.706 50 0 HFAARM O=C(Nc1nc2c(s1)CCCC2)c1cnc([O-])n(Cc2ccccc2F)c1=O ZINC000077099861 571311073 /nfs/dbraw/zinc/31/10/73/571311073.db2.gz HUAQTPHEEIHLFA-UHFFFAOYSA-N -1 0 400.435 2.724 50 0 HFAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000032962233 525785730 /nfs/dbraw/zinc/78/57/30/525785730.db2.gz JQSPUZCORIWVPK-UHFFFAOYSA-N -1 0 410.879 2.984 50 0 HFAARM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1 ZINC000032913158 527553797 /nfs/dbraw/zinc/55/37/97/527553797.db2.gz KMLSRKNZVMRTPB-UHFFFAOYSA-N -1 0 424.404 2.965 50 0 HFAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 ZINC000000692901 557061129 /nfs/dbraw/zinc/06/11/29/557061129.db2.gz DEVAEKPQMVOUNY-UHFFFAOYSA-N -1 0 415.405 2.506 50 0 HFAARM COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)CC1 ZINC000022626303 557082830 /nfs/dbraw/zinc/08/28/30/557082830.db2.gz HBCFRTNMZMHOKG-HNNXBMFYSA-N -1 0 404.467 2.918 50 0 HFAARM CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022626971 557108233 /nfs/dbraw/zinc/10/82/33/557108233.db2.gz XDOKIQUDTOFCMF-INIZCTEOSA-N -1 0 415.519 2.977 50 0 HFAARM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000001027669 557145684 /nfs/dbraw/zinc/14/56/84/557145684.db2.gz QSJSMCPYLVKXFW-UHFFFAOYSA-N -1 0 423.472 2.593 50 0 HFAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCS(=O)(=O)CC1 ZINC000001081452 557175737 /nfs/dbraw/zinc/17/57/37/557175737.db2.gz BZCDXKNKTDBVSF-UHFFFAOYSA-N -1 0 415.467 2.557 50 0 HFAARM C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000001575989 557273545 /nfs/dbraw/zinc/27/35/45/557273545.db2.gz OEANOUHCLXZBNG-AUUYWEPGSA-N -1 0 409.442 2.595 50 0 HFAARM CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H]1CCc2ccccc2N(CC(=O)[O-])C1=O ZINC000002021263 557299488 /nfs/dbraw/zinc/29/94/88/557299488.db2.gz XPCFTKFZXHTYIP-WOJBJXKFSA-N -1 0 424.497 2.573 50 0 in-vitro HFAARM COC(=O)c1cccc(CN2C(=O)S[C@@H](Nc3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000002363082 557340680 /nfs/dbraw/zinc/34/06/80/557340680.db2.gz KKWVGAVNLATHFJ-OAHLLOKOSA-N -1 0 400.412 2.805 50 0 HFAARM CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000002735887 557374287 /nfs/dbraw/zinc/37/42/87/557374287.db2.gz VWMBWCXLFRQHFT-HWQJWEFDSA-N -1 0 410.451 2.708 50 0 HFAARM O=C([O-])/C=C\C(=O)Nc1ccccc1SC[C@H](O)Cn1ccc(C(F)(F)F)n1 ZINC000003125865 557448685 /nfs/dbraw/zinc/44/86/85/557448685.db2.gz QIVKDUUHARQRMK-ISALQUGTSA-N -1 0 415.393 2.634 50 0 HFAARM CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3cccc(Cl)c3)[n-]c2=O)C1 ZINC000034767921 557462724 /nfs/dbraw/zinc/46/27/24/557462724.db2.gz STLNDGUTZLHDFT-AWEZNQCLSA-N -1 0 418.881 2.632 50 0 HFAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCCc1ccccn1 ZINC000034767542 557462766 /nfs/dbraw/zinc/46/27/66/557462766.db2.gz RCMKZVWBAKJPPZ-UHFFFAOYSA-N -1 0 417.391 2.950 50 0 HFAARM O=C([O-])c1nccnc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004324491 557541542 /nfs/dbraw/zinc/54/15/42/557541542.db2.gz QIMULFYCZJMWAH-UHFFFAOYSA-N -1 0 402.454 2.722 50 0 HFAARM COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])c1 ZINC000004336681 557543669 /nfs/dbraw/zinc/54/36/69/557543669.db2.gz SOEIQTIEEQTNNN-HNNXBMFYSA-N -1 0 411.451 2.850 50 0 HFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000004969714 557618500 /nfs/dbraw/zinc/61/85/00/557618500.db2.gz ITAOHVYKECGUGB-ZWKOTPCHSA-N -1 0 409.471 2.649 50 0 HFAARM COc1ccc(CCN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)[O-])cc1OC ZINC000006645721 557711929 /nfs/dbraw/zinc/71/19/29/557711929.db2.gz SKDRDVSMHLYULD-INIZCTEOSA-N -1 0 414.483 2.723 50 0 HFAARM CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000006731115 557718048 /nfs/dbraw/zinc/71/80/48/557718048.db2.gz ZMKUGLOVVUPMOZ-HZPDHXFCSA-N -1 0 410.536 2.534 50 0 HFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000006730720 557718092 /nfs/dbraw/zinc/71/80/92/557718092.db2.gz DXDJZDUZHWFDIE-ZIAGYGMSSA-N -1 0 418.515 2.705 50 0 HFAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)cc3)c=2c1=O ZINC000002787589 557759091 /nfs/dbraw/zinc/75/90/91/557759091.db2.gz UOZWAWODDXTRNP-AEFFLSMTSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)cc2Cl)n1 ZINC000002804155 557763218 /nfs/dbraw/zinc/76/32/18/557763218.db2.gz BEPPBCJTNMSQAT-UHFFFAOYSA-N -1 0 401.279 2.774 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(=O)c2ccccc2o1 ZINC000008606750 557796704 /nfs/dbraw/zinc/79/67/04/557796704.db2.gz KRELCLYUIDSVBY-UHFFFAOYSA-N -1 0 422.422 2.636 50 0 HFAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cn4ccnc4)cc3)c(Cl)cc21 ZINC000008973416 557817052 /nfs/dbraw/zinc/81/70/52/557817052.db2.gz PQLDQSLRKJQZPY-UHFFFAOYSA-N -1 0 418.862 2.831 50 0 HFAARM CCC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020325867 558355537 /nfs/dbraw/zinc/35/55/37/558355537.db2.gz FHSULWDPEDUQLY-KNTRCKAVSA-N -1 0 407.426 2.760 50 0 HFAARM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020745280 558409938 /nfs/dbraw/zinc/40/99/38/558409938.db2.gz POVCODZDNAJRGG-HNNXBMFYSA-N -1 0 410.268 2.830 50 0 HFAARM [O-]C(c1cccs1)=C1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000004387917 558488060 /nfs/dbraw/zinc/48/80/60/558488060.db2.gz QGHBCPORZJWTGN-ZOWXZIJZSA-N -1 0 402.419 2.723 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1Cc2ccccc2S1 ZINC000024950223 558621918 /nfs/dbraw/zinc/62/19/18/558621918.db2.gz QKWADHCOESEBDV-QGZVFWFLSA-N -1 0 412.496 2.933 50 0 HFAARM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c[nH]1)N1CCCC1 ZINC000026535873 558662757 /nfs/dbraw/zinc/66/27/57/558662757.db2.gz XPKUBXQZFMDYPS-UHFFFAOYSA-N -1 0 403.382 2.950 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000015341359 558734695 /nfs/dbraw/zinc/73/46/95/558734695.db2.gz CQJTWHNMKJBTIC-GJZGRUSLSA-N -1 0 404.488 2.745 50 0 HFAARM CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)CC1 ZINC000033274857 558764618 /nfs/dbraw/zinc/76/46/18/558764618.db2.gz IQQJSMYCOIVFIL-UHFFFAOYSA-N -1 0 401.488 2.532 50 0 HFAARM CCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000004580864 558766921 /nfs/dbraw/zinc/76/69/21/558766921.db2.gz HCKQFPPISGVLMZ-SFHVURJKSA-N -1 0 406.460 2.538 50 0 HFAARM O=C([O-])COCC(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccco1 ZINC000017089819 558818340 /nfs/dbraw/zinc/81/83/40/558818340.db2.gz JQZVUYIGHWTVFR-UHFFFAOYSA-N -1 0 414.439 2.978 50 0 HFAARM CO[C@H](C)c1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000071764342 558910338 /nfs/dbraw/zinc/91/03/38/558910338.db2.gz BAVAEOODMADBSR-CQSZACIVSA-N -1 0 405.472 2.780 50 0 HFAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033253126 558921194 /nfs/dbraw/zinc/92/11/94/558921194.db2.gz UJSANDUZNOKQPD-UHFFFAOYSA-N -1 0 407.467 2.612 50 0 HFAARM CCS(=O)(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(C(=O)[O-])c1 ZINC000033253220 558921202 /nfs/dbraw/zinc/92/12/02/558921202.db2.gz UDBJESUZVPORRL-UHFFFAOYSA-N -1 0 421.494 2.608 50 0 HFAARM COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000065364291 558975356 /nfs/dbraw/zinc/97/53/56/558975356.db2.gz OTTSLIVXLRPURC-XCLFUZPHSA-N -1 0 414.458 2.843 50 0 HFAARM O=C(c1ccc2c(c1)OCO2)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097096321 558992023 /nfs/dbraw/zinc/99/20/23/558992023.db2.gz GNSFIGPSTZRBHC-UHFFFAOYSA-N -1 0 414.421 2.617 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cnccc2C)CC3)no1 ZINC000077470411 559006485 /nfs/dbraw/zinc/00/64/85/559006485.db2.gz BRRJUIWZUPWQFY-UHFFFAOYSA-N -1 0 412.471 2.686 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(F)c5)c(=O)c3=4)n2)cc1 ZINC000023126513 559014333 /nfs/dbraw/zinc/01/43/33/559014333.db2.gz CVTVZXGJMBDEKS-MSOLQXFVSA-N -1 0 420.404 2.986 50 0 HFAARM CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000095372042 559080180 /nfs/dbraw/zinc/08/01/80/559080180.db2.gz XOOBWELGDBVQDW-SFHVURJKSA-N -1 0 401.484 2.737 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(C)c1 ZINC000100032959 559128842 /nfs/dbraw/zinc/12/88/42/559128842.db2.gz HGNJQCGSMXSNBH-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)c1 ZINC000100036694 559128981 /nfs/dbraw/zinc/12/89/81/559128981.db2.gz QAFWRVAAORDHAS-PMACEKPBSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)c1 ZINC000100036682 559128986 /nfs/dbraw/zinc/12/89/86/559128986.db2.gz CXLORWIJDCCPNE-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM CCOC(=O)Cc1csc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)n1 ZINC000100658551 559137534 /nfs/dbraw/zinc/13/75/34/559137534.db2.gz INXNRMWGBWUVRF-UHFFFAOYSA-N -1 0 401.444 2.541 50 0 HFAARM COC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000103129989 559154679 /nfs/dbraw/zinc/15/46/79/559154679.db2.gz BNFAIQBZXQFKSK-ZBFHGGJFSA-N -1 0 418.236 2.901 50 0 HFAARM COC(=O)C[C@@H](c1cccc(O)c1)c1c(=O)nc2ccc(Br)cn2c1[O-] ZINC000205947157 559177727 /nfs/dbraw/zinc/17/77/27/559177727.db2.gz MEMXYBJNVLFVBQ-ZDUSSCGKSA-N -1 0 419.231 2.563 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1C ZINC000004969726 559219483 /nfs/dbraw/zinc/21/94/83/559219483.db2.gz HSIZWJPVUGVISY-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM COc1cc(C(=O)NCc2n[n-]c(=S)n2-c2ccccc2)cc(OC)c1OC ZINC000005128710 559249041 /nfs/dbraw/zinc/24/90/41/559249041.db2.gz ITNIOTGCFOWVPK-UHFFFAOYSA-N -1 0 400.460 2.886 50 0 HFAARM Cc1cc(OCC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000245240977 559272973 /nfs/dbraw/zinc/27/29/73/559272973.db2.gz VWGGZKLSAOKBTB-SHTZXODSSA-N -1 0 413.470 2.976 50 0 biogenic HFAARM COc1ccccc1N1CC[NH+](C[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)[O-])CC1 ZINC000061722091 560538007 /nfs/dbraw/zinc/53/80/07/560538007.db2.gz GCYUDTLLNCZDHA-INIZCTEOSA-N -1 0 415.465 2.686 50 0 HFAARM COC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005217554 560543938 /nfs/dbraw/zinc/54/39/38/560543938.db2.gz HJLSPDPFMNFHQY-FUHWJXTLSA-N -1 0 411.845 2.864 50 0 HFAARM CSCC[C@H](NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000005390681 560581914 /nfs/dbraw/zinc/58/19/14/560581914.db2.gz FUTQSHFQOJNMEL-JMLCCBQJSA-N -1 0 417.531 2.525 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccccc1Cl ZINC000101165846 560787314 /nfs/dbraw/zinc/78/73/14/560787314.db2.gz RMDWFEUIHCOEQT-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1 ZINC000101168399 560787521 /nfs/dbraw/zinc/78/75/21/560787521.db2.gz SREMPAPMIXZUDN-MOPGFXCFSA-N -1 0 409.421 2.881 50 0 HFAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101174316 560787965 /nfs/dbraw/zinc/78/79/65/560787965.db2.gz GQRFTTNITNPGME-DLBZAZTESA-N -1 0 415.812 2.719 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262728 560790015 /nfs/dbraw/zinc/79/00/15/560790015.db2.gz FUVIWEMIJHNVGY-RTBURBONSA-N -1 0 414.425 2.719 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)cc5)c(=O)c3=4)n2)cc1 ZINC000101272231 560790945 /nfs/dbraw/zinc/79/09/45/560790945.db2.gz FGMIQVXNQDTHLI-ROUUACIJSA-N -1 0 402.414 2.847 50 0 HFAARM O=C(NCc1ccc2c(c1)OCO2)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301784 560791235 /nfs/dbraw/zinc/79/12/35/560791235.db2.gz ALHHUMXZDCWLGO-UHFFFAOYSA-N -1 0 415.405 2.750 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000101416118 560794587 /nfs/dbraw/zinc/79/45/87/560794587.db2.gz WNPXBWFDCIWSLA-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM CCOc1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(=O)CC)cc1 ZINC000101765756 560799409 /nfs/dbraw/zinc/79/94/09/560799409.db2.gz MMBSSICXWQLTCX-CQSZACIVSA-N -1 0 402.476 2.635 50 0 HFAARM O=c1[nH]c([O-])c(C2=NN[C@H](c3c[nH]c4ccccc43)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101763210 560800792 /nfs/dbraw/zinc/80/07/92/560800792.db2.gz IGVBCHZKDXKIIP-INIZCTEOSA-N -1 0 421.844 2.805 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1 ZINC000101892710 560804466 /nfs/dbraw/zinc/80/44/66/560804466.db2.gz IIIZRBXPMMQJSA-ZWKOTPCHSA-N -1 0 418.413 2.547 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(F)c5)c(=O)c3=4)n2)c1 ZINC000101892909 560804479 /nfs/dbraw/zinc/80/44/79/560804479.db2.gz BZWGQLKKMYFEJR-IAGOWNOFSA-N -1 0 424.367 2.817 50 0 HFAARM O=C([O-])CC1(CNC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CCCCC1 ZINC000049545858 568451341 /nfs/dbraw/zinc/45/13/41/568451341.db2.gz FDHSWGXFEHJJRU-UHFFFAOYSA-N -1 0 401.438 2.591 50 0 HFAARM O=C(c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O)N1CCOCC1 ZINC000214976326 568459094 /nfs/dbraw/zinc/45/90/94/568459094.db2.gz JGOOGJIKUUCMIQ-UHFFFAOYSA-N -1 0 421.297 2.947 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)Nc4ccccc4N3O)cc2)no1 ZINC000020355729 568600006 /nfs/dbraw/zinc/60/00/06/568600006.db2.gz PNYPDZDRNLGUOV-UHFFFAOYSA-N -1 0 401.404 2.947 50 0 HFAARM COc1cc(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)ccc1OC(C)C ZINC000095970839 568671525 /nfs/dbraw/zinc/67/15/25/568671525.db2.gz IQFVIUCILRFCKD-UHFFFAOYSA-N -1 0 407.444 2.836 50 0 HFAARM COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc(OC)cc1)c1ccc(C(=O)[O-])cc1 ZINC000096116213 568695922 /nfs/dbraw/zinc/69/59/22/568695922.db2.gz OAJPEPHEHCSKFN-QGZVFWFLSA-N -1 0 410.426 2.696 50 0 biogenic HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCCc1ccccc1)c2=O ZINC000012415867 568717948 /nfs/dbraw/zinc/71/79/48/568717948.db2.gz KSBLBASYJKJPLS-UHFFFAOYSA-N -1 0 411.483 2.595 50 0 HFAARM O=C([O-])Cn1c2ccccc2nc1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000000896620 568748647 /nfs/dbraw/zinc/74/86/47/568748647.db2.gz CEDFRQLWCLSYOS-UHFFFAOYSA-N -1 0 423.288 2.900 50 0 HFAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)Cc1ccccc1 ZINC000086066864 568755240 /nfs/dbraw/zinc/75/52/40/568755240.db2.gz YMAHVVOCIPZEQC-UHFFFAOYSA-N -1 0 403.442 2.511 50 0 HFAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000002804249 568811578 /nfs/dbraw/zinc/81/15/78/568811578.db2.gz IPAPVOLRLJOIIE-UHFFFAOYSA-N -1 0 416.841 2.989 50 0 HFAARM CCCC[C@@H](CC)CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-] ZINC000004035676 568879297 /nfs/dbraw/zinc/87/92/97/568879297.db2.gz BPNFMHNNTXNKIN-OAHLLOKOSA-N -1 0 410.536 2.935 50 0 HFAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)cc1F ZINC000012652909 568906758 /nfs/dbraw/zinc/90/67/58/568906758.db2.gz YITQBQQOUBXCAW-UHFFFAOYSA-N -1 0 404.872 2.721 50 0 HFAARM Cc1c(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cnn1C(F)F ZINC000015671380 568961919 /nfs/dbraw/zinc/96/19/19/568961919.db2.gz PVABOVFEUPPGEG-UHFFFAOYSA-N -1 0 402.814 2.681 50 0 HFAARM COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1OC ZINC000004317399 568962642 /nfs/dbraw/zinc/96/26/42/568962642.db2.gz YPZOEDRVAWTFFE-UHFFFAOYSA-N -1 0 412.471 2.916 50 0 HFAARM Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)c(C)c1 ZINC000006309320 569038635 /nfs/dbraw/zinc/03/86/35/569038635.db2.gz LOYQCIYPKHQVME-UHFFFAOYSA-N -1 0 413.459 2.545 50 0 HFAARM O=S(=O)([N-]c1cnc(Oc2ccccc2F)nc1)c1ccc2c(c1)OCCO2 ZINC000090607759 569042058 /nfs/dbraw/zinc/04/20/58/569042058.db2.gz ZZJHAGYRCQPSQL-UHFFFAOYSA-N -1 0 403.391 2.980 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(F)c5)c(=O)c3=4)n2)c1 ZINC000064565382 569067047 /nfs/dbraw/zinc/06/70/47/569067047.db2.gz BZWGQLKKMYFEJR-SJORKVTESA-N -1 0 424.367 2.817 50 0 HFAARM CC(=O)Nc1ccc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C(=O)[O-] ZINC000064590040 569069150 /nfs/dbraw/zinc/06/91/50/569069150.db2.gz DXLIGNHZOHEBCK-UHFFFAOYSA-N -1 0 424.501 2.721 50 0 HFAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1 ZINC000006623463 569075151 /nfs/dbraw/zinc/07/51/51/569075151.db2.gz NQBJCQUNXHYZRH-UHFFFAOYSA-N -1 0 414.439 2.797 50 0 HFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000006678256 569087410 /nfs/dbraw/zinc/08/74/10/569087410.db2.gz PVLOUJCJHGPYTH-VPZZIHKRSA-N -1 0 401.459 2.973 50 0 HFAARM O=C([O-])Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccco2)CC3=O)cc1 ZINC000064775552 569093485 /nfs/dbraw/zinc/09/34/85/569093485.db2.gz FVABGAHXOAFKLB-ZDUSSCGKSA-N -1 0 406.394 2.760 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000006729428 569102824 /nfs/dbraw/zinc/10/28/24/569102824.db2.gz VICHWPCFGKJAPF-VQTJNVASSA-N -1 0 405.458 2.852 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1OC ZINC000006770713 569116613 /nfs/dbraw/zinc/11/66/13/569116613.db2.gz ITXOCTCREZULFM-DLBZAZTESA-N -1 0 400.822 2.851 50 0 HFAARM CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3)s2)cc1 ZINC000006778336 569118840 /nfs/dbraw/zinc/11/88/40/569118840.db2.gz BYXQFKWZCPLJFB-UHFFFAOYSA-N -1 0 404.473 2.990 50 0 HFAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036358565 569150096 /nfs/dbraw/zinc/15/00/96/569150096.db2.gz PJHVQYJKYNWZGP-QGZVFWFLSA-N -1 0 417.462 2.555 50 0 HFAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036360873 569151971 /nfs/dbraw/zinc/15/19/71/569151971.db2.gz VIWQTIQRWYGCRG-NRFANRHFSA-N -1 0 407.470 2.820 50 0 HFAARM O=C([N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000065593984 569236911 /nfs/dbraw/zinc/23/69/11/569236911.db2.gz QIEYOOYOCWEZKT-UHFFFAOYSA-N -1 0 409.511 2.632 50 0 HFAARM O=C([O-])[C@]12CCC(=O)N1c1ccc(Cl)cc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000170620069 569248729 /nfs/dbraw/zinc/24/87/29/569248729.db2.gz AGPLKNNQEURACI-HXUWFJFHSA-N -1 0 408.801 2.504 50 0 HFAARM Cc1nnc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccccc3)n2)s1 ZINC000016848360 569265435 /nfs/dbraw/zinc/26/54/35/569265435.db2.gz XYQCJAWXUYPAGT-UHFFFAOYSA-N -1 0 409.518 2.675 50 0 HFAARM COc1cc(S(=O)(=O)Nc2ccccc2[C@@H](O)C(C)C)cc(C(=O)[O-])c1OC ZINC000089801805 569266238 /nfs/dbraw/zinc/26/62/38/569266238.db2.gz GOMKSUFAJKEYAB-KRWDZBQOSA-N -1 0 409.460 2.892 50 0 HFAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12 ZINC000002103998 569281986 /nfs/dbraw/zinc/28/19/86/569281986.db2.gz DFTXDUVOVZLMJZ-INIZCTEOSA-N -1 0 401.802 2.507 50 0 biogenic HFAARM COc1cc(OC)c2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1 ZINC000002116925 569284699 /nfs/dbraw/zinc/28/46/99/569284699.db2.gz QIMKNHWXFSGMCZ-FQEVSTJZSA-N -1 0 411.410 2.603 50 0 biogenic HFAARM COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000252673340 569319526 /nfs/dbraw/zinc/31/95/26/569319526.db2.gz RAPHYCNPTXZBMV-CYBMUJFWSA-N -1 0 424.478 2.934 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1C ZINC000002689146 569322178 /nfs/dbraw/zinc/32/21/78/569322178.db2.gz VBILJFBHKIAMTA-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM CSC[C@H](NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002275328 569327717 /nfs/dbraw/zinc/32/77/17/569327717.db2.gz FIXCNOZROSYGJD-NIFLVVHWSA-N -1 0 402.447 2.529 50 0 HFAARM CC(C)[C@H](NC(=O)[C@@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(C)C)C(=O)[O-] ZINC000012885608 569404581 /nfs/dbraw/zinc/40/45/81/569404581.db2.gz GFWXFSZVPKGRLA-PMACEKPBSA-N -1 0 422.481 2.878 50 0 biogenic HFAARM COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NCCC(=O)[O-])cc1 ZINC000013400886 569413391 /nfs/dbraw/zinc/41/33/91/569413391.db2.gz YWAYESOOCVZRHQ-SFQUDFHCSA-N -1 0 402.834 2.710 50 0 HFAARM CCOc1ccc(Cl)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cn[nH]c3)c2)n1 ZINC000078992485 569422950 /nfs/dbraw/zinc/42/29/50/569422950.db2.gz MKSNFCBWLFNTNX-UHFFFAOYSA-N -1 0 421.866 2.910 50 0 HFAARM COc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@](O)(C(F)(F)F)C2)c(OC)c1 ZINC000008753831 571112622 /nfs/dbraw/zinc/11/26/22/571112622.db2.gz AADHNFIRCRYOGZ-OAHLLOKOSA-N -1 0 417.365 2.724 50 0 HFAARM O=C([O-])[C@H]1CCCCN1C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000009215939 571237410 /nfs/dbraw/zinc/23/74/10/571237410.db2.gz YEKZKNOEHOZCFI-ADVGAGMGSA-N -1 0 406.435 2.718 50 0 HFAARM O=C([O-])C1CCN(C(=O)CCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 ZINC000009302881 571246041 /nfs/dbraw/zinc/24/60/41/571246041.db2.gz WRXPNAYWJJEFCR-PTNGSMBKSA-N -1 0 406.435 2.575 50 0 HFAARM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)[n-]1 ZINC000069870949 571247310 /nfs/dbraw/zinc/24/73/10/571247310.db2.gz BMQUDWDGRGFDCE-UHFFFAOYSA-N -1 0 411.483 2.747 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000009675151 571278841 /nfs/dbraw/zinc/27/88/41/571278841.db2.gz GCJBHWXQAUVLGF-CVEARBPZSA-N -1 0 419.775 2.550 50 0 HFAARM COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009714869 571281649 /nfs/dbraw/zinc/28/16/49/571281649.db2.gz MCJPKYKGWYBQGU-UHFFFAOYSA-N -1 0 424.544 2.979 50 0 HFAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000009877497 571289334 /nfs/dbraw/zinc/28/93/34/571289334.db2.gz WYVICVMMDZDFAV-INIZCTEOSA-N -1 0 424.906 2.845 50 0 HFAARM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccc(Br)o2)c3=O)cc1 ZINC000010251688 571298238 /nfs/dbraw/zinc/29/82/38/571298238.db2.gz QUIZKKOCUMSQNF-UHFFFAOYSA-N -1 0 414.219 2.630 50 0 HFAARM O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1CCN(c2ccccc2)CC1 ZINC000004626365 132280641 /nfs/dbraw/zinc/28/06/41/132280641.db2.gz WQRWBDJDUCMLTL-UHFFFAOYSA-N -1 0 406.511 2.878 50 0 HFAARM CSC1=NC2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@](O)(C(=O)[O-])N2N1 ZINC000205919349 525344093 /nfs/dbraw/zinc/34/40/93/525344093.db2.gz YHORAYAHSPBGBY-KHYOSLBOSA-N -1 0 416.890 2.847 50 0 HFAARM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000042232548 526851719 /nfs/dbraw/zinc/85/17/19/526851719.db2.gz HTOZNSSGQFVKPQ-UHFFFAOYSA-N -1 0 416.480 2.606 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000009322309 557079053 /nfs/dbraw/zinc/07/90/53/557079053.db2.gz GLTJSYDLVKYSJS-UHFFFAOYSA-N -1 0 403.391 2.558 50 0 HFAARM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000858377 557103677 /nfs/dbraw/zinc/10/36/77/557103677.db2.gz BTEFOGHZHZZOIB-UHFFFAOYSA-N -1 0 419.484 2.970 50 0 HFAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000949261 557123701 /nfs/dbraw/zinc/12/37/01/557123701.db2.gz FIKZGFJMJDPAKN-UHFFFAOYSA-N -1 0 412.471 2.857 50 0 HFAARM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c1 ZINC000001122723 557192329 /nfs/dbraw/zinc/19/23/29/557192329.db2.gz UKYCWJHPCYQFCH-UHFFFAOYSA-N -1 0 401.378 2.828 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cn2)cc1OC ZINC000001441123 557264191 /nfs/dbraw/zinc/26/41/91/557264191.db2.gz XLLSJCSWJILLQG-UHFFFAOYSA-N -1 0 420.228 2.504 50 0 HFAARM C[C@@H](NC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002049263 557300320 /nfs/dbraw/zinc/30/03/20/557300320.db2.gz MPRWRADRWSUPBE-CZUORRHYSA-N -1 0 408.495 2.889 50 0 HFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)n1 ZINC000002136440 557317594 /nfs/dbraw/zinc/31/75/94/557317594.db2.gz UYKWDBOHRKLBOJ-UHFFFAOYSA-N -1 0 421.548 2.753 50 0 HFAARM COC(=O)c1cccc(CN2C(=O)S[C@H](Nc3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000002363081 557340663 /nfs/dbraw/zinc/34/06/63/557340663.db2.gz KKWVGAVNLATHFJ-HNNXBMFYSA-N -1 0 400.412 2.805 50 0 HFAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002556558 557356411 /nfs/dbraw/zinc/35/64/11/557356411.db2.gz NNOBHAOOLCEJBL-OALUTQOASA-N -1 0 412.486 2.935 50 0 HFAARM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1 ZINC000002905073 557425367 /nfs/dbraw/zinc/42/53/67/557425367.db2.gz WRQHBDJYLHPGMX-UHFFFAOYSA-N -1 0 408.480 2.813 50 0 HFAARM CC1(C)O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)[O-])O1 ZINC000003095532 557445945 /nfs/dbraw/zinc/44/59/45/557445945.db2.gz LIMGICFXHVUYQP-JBGZFKFXSA-N -1 0 420.477 2.942 50 0 HFAARM CCCCOc1ccc(-c2nnc(CCC(=O)NC[C@@H]3CCCO3)c(=O)[n-]2)cc1 ZINC000034763328 557460628 /nfs/dbraw/zinc/46/06/28/557460628.db2.gz XLSDNDGRAQTGCB-KRWDZBQOSA-N -1 0 400.479 2.651 50 0 HFAARM O=C([O-])c1cc(CN2C(=O)c3ccccc3C2=O)ccc1I ZINC000004343514 557544336 /nfs/dbraw/zinc/54/43/36/557544336.db2.gz ACTDNBXJSIGMGN-UHFFFAOYSA-N -1 0 407.163 2.786 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(C)c1 ZINC000004877968 557609022 /nfs/dbraw/zinc/60/90/22/557609022.db2.gz HGNJQCGSMXSNBH-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM O=C(CCCCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NC[C@H]1CCCO1 ZINC000002974422 557775823 /nfs/dbraw/zinc/77/58/23/557775823.db2.gz FUFZJTCVUCMPOR-CYBMUJFWSA-N -1 0 419.503 2.643 50 0 HFAARM O=C(CCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCCc1ccccc1 ZINC000002975236 557776713 /nfs/dbraw/zinc/77/67/13/557776713.db2.gz UJYGRXVQMHPHDH-UHFFFAOYSA-N -1 0 411.483 2.927 50 0 HFAARM COCCn1c(=O)c2ccc(C(=O)NCc3ccccc3Cl)cc2[n-]c1=S ZINC000003043720 557786699 /nfs/dbraw/zinc/78/66/99/557786699.db2.gz CIAHMOZEIHGBSB-UHFFFAOYSA-N -1 0 403.891 2.915 50 0 HFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000009748174 557849410 /nfs/dbraw/zinc/84/94/10/557849410.db2.gz XZALHIMKSXCTOS-RBUKOAKNSA-N -1 0 423.498 2.957 50 0 HFAARM CC(C)c1nnc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C([O-])=N2)s1 ZINC000010060481 557854794 /nfs/dbraw/zinc/85/47/94/557854794.db2.gz QZBPUMFANXFRSG-UHFFFAOYSA-N -1 0 403.489 2.848 50 0 HFAARM [O-]C(c1cccs1)=C1[C@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000011990813 558306343 /nfs/dbraw/zinc/30/63/43/558306343.db2.gz QGHBCPORZJWTGN-SLEUVZQESA-N -1 0 402.419 2.723 50 0 HFAARM Cc1sc([N-]S(=O)(=O)c2ccccc2)nc1C(=O)NC[C@H](O)c1ccccc1 ZINC000020725402 558404689 /nfs/dbraw/zinc/40/46/89/558404689.db2.gz DRQXYURGANBIOW-INIZCTEOSA-N -1 0 417.512 2.716 50 0 HFAARM CCCC[C@H](Sc1nc(C2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000004341299 558425010 /nfs/dbraw/zinc/42/50/10/558425010.db2.gz JGVQVASNAQOHPI-ZDUSSCGKSA-N -1 0 420.535 2.810 50 0 HFAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(Cl)cc(Cl)c3OC(=O)[C@H]12 ZINC000013017195 558504217 /nfs/dbraw/zinc/50/42/17/558504217.db2.gz BKTZGNMQJKBKNL-MATHAZKKSA-N -1 0 404.252 2.969 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc(N(C)C)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000013057423 558508899 /nfs/dbraw/zinc/50/88/99/558508899.db2.gz JEORAEVICMYHOR-UHFFFAOYSA-N -1 0 417.578 2.645 50 0 HFAARM CCCc1nnc(SCC(=O)NCCCSc2ccccc2)n1CC(=O)[O-] ZINC000013219526 558526266 /nfs/dbraw/zinc/52/62/66/558526266.db2.gz MOBDKUFDMQSYAV-UHFFFAOYSA-N -1 0 408.549 2.706 50 0 HFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013251946 558527940 /nfs/dbraw/zinc/52/79/40/558527940.db2.gz OSWGAIVLSPZGIN-KGLIPLIRSA-N -1 0 412.895 2.730 50 0 HFAARM O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000013427369 558532531 /nfs/dbraw/zinc/53/25/31/558532531.db2.gz BLUSYAKAHOJHAT-XJKCOSOUSA-N -1 0 414.361 2.581 50 0 HFAARM O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000013427367 558532562 /nfs/dbraw/zinc/53/25/62/558532562.db2.gz BLUSYAKAHOJHAT-IOASZLSFSA-N -1 0 414.361 2.581 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000004484075 558603400 /nfs/dbraw/zinc/60/34/00/558603400.db2.gz PQHPVCVJHBDHRR-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1 ZINC000024772643 558611987 /nfs/dbraw/zinc/61/19/87/558611987.db2.gz GIFBKOXCSGPQIU-UHFFFAOYSA-N -1 0 414.443 2.640 50 0 HFAARM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000015013680 558701177 /nfs/dbraw/zinc/70/11/77/558701177.db2.gz LQQYUWYEOUBXOY-GFQQVXNGSA-N -1 0 414.389 2.779 50 0 HFAARM O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)c1ccccc1 ZINC000584906341 558834266 /nfs/dbraw/zinc/83/42/66/558834266.db2.gz HCALKPNAORYWSW-KNBMTAEXSA-N -1 0 420.469 2.540 50 0 HFAARM CSCC[C@H](NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004698229 558906376 /nfs/dbraw/zinc/90/63/76/558906376.db2.gz XMJYYSWENYTAFV-DLEKYWELSA-N -1 0 404.513 2.842 50 0 HFAARM O=C([O-])c1cc(-n2nnc3ccccc32)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071754717 558909553 /nfs/dbraw/zinc/90/95/53/558909553.db2.gz RGKNWFNMKZBHBK-UHFFFAOYSA-N -1 0 400.460 2.683 50 0 HFAARM CCS(=O)(=O)Nc1ccc(N(C)CCCc2c(C)nn(C)c2C)c(C(=O)[O-])c1 ZINC000033253685 558921962 /nfs/dbraw/zinc/92/19/62/558921962.db2.gz DKUCTTFTXHDIOZ-UHFFFAOYSA-N -1 0 408.524 2.566 50 0 HFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CCN(C(=O)c2ccccc2)C4)cc1 ZINC000097942012 558947925 /nfs/dbraw/zinc/94/79/25/558947925.db2.gz ZKHVYQFKBUQSFJ-UHFFFAOYSA-N -1 0 400.438 2.897 50 0 HFAARM COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)c2ccc(C)nc2)C3)cc1 ZINC000067841050 558993686 /nfs/dbraw/zinc/99/36/86/558993686.db2.gz GURYSSGSVKCVSI-UHFFFAOYSA-N -1 0 420.469 2.735 50 0 HFAARM Cn1cccc1C(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[n-]n3c2=O)C1 ZINC000097123340 558995711 /nfs/dbraw/zinc/99/57/11/558995711.db2.gz RSQAQKJJFBWONS-UHFFFAOYSA-N -1 0 407.861 2.880 50 0 HFAARM CCn1ccc(C(=O)N2CCc3c(=O)n4[n-]c(-c5ccccc5Cl)cc4nc3C2)n1 ZINC000097139165 558996669 /nfs/dbraw/zinc/99/66/69/558996669.db2.gz OKOACZMDKIYZEC-UHFFFAOYSA-N -1 0 422.876 2.758 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2c(C)noc2C)CC3)no1 ZINC000077505699 559007744 /nfs/dbraw/zinc/00/77/44/559007744.db2.gz HTAAEIDFLLMLFX-UHFFFAOYSA-N -1 0 416.459 2.587 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1 ZINC000100033228 559128906 /nfs/dbraw/zinc/12/89/06/559128906.db2.gz KOEBLDDEGBTUMX-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl ZINC000100033367 559128908 /nfs/dbraw/zinc/12/89/08/559128908.db2.gz LIRIGRJSHBWVEM-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1C ZINC000100033137 559128913 /nfs/dbraw/zinc/12/89/13/559128913.db2.gz RLODVUONNDHYKK-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM CCCn1c2ccccc2c([O-])c(C(=O)Nn2c(CC)nc3ccccc3c2=O)c1=O ZINC000100675010 559137701 /nfs/dbraw/zinc/13/77/01/559137701.db2.gz BTKCEVBDDPOOKT-UHFFFAOYSA-N -1 0 418.453 2.773 50 0 HFAARM O=C([N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1c(F)cccc1F ZINC000011665753 559146688 /nfs/dbraw/zinc/14/66/88/559146688.db2.gz CIGOZWRDJHXLQP-UHFFFAOYSA-N -1 0 401.760 2.898 50 0 HFAARM O=C([O-])CC[C@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000408525843 559215650 /nfs/dbraw/zinc/21/56/50/559215650.db2.gz YCNIPFOBPKBQJI-JOCHJYFZSA-N -1 0 420.400 2.769 50 0 HFAARM CCc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2C)s1 ZINC000005075797 559240991 /nfs/dbraw/zinc/24/09/91/559240991.db2.gz HPMXGAYAXMFHFF-UHFFFAOYSA-N -1 0 400.547 2.960 50 0 HFAARM CCc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2OC)cc1 ZINC000005075817 559241046 /nfs/dbraw/zinc/24/10/46/559241046.db2.gz XGJTWNZYAFIYGB-UHFFFAOYSA-N -1 0 410.517 2.598 50 0 HFAARM Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000011866839 559264365 /nfs/dbraw/zinc/26/43/65/559264365.db2.gz NINAZKHSCYVPNG-YJYMSZOUSA-N -1 0 401.459 2.973 50 0 HFAARM Nc1c(Cl)cc(S(=O)(=O)[N-]c2cccnc2N2CCOCC2)cc1Cl ZINC000079001511 560540867 /nfs/dbraw/zinc/54/08/67/560540867.db2.gz HUJJLQTUYOQOHS-UHFFFAOYSA-N -1 0 403.291 2.608 50 0 HFAARM CCCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2C1 ZINC000008840479 560639728 /nfs/dbraw/zinc/63/97/28/560639728.db2.gz MLAXCWQYAUHERM-UHFFFAOYSA-N -1 0 414.574 2.955 50 0 HFAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(I)cc2)c1 ZINC000000642663 560725056 /nfs/dbraw/zinc/72/50/56/560725056.db2.gz FSFAIKTWWUJWRO-UHFFFAOYSA-N -1 0 403.197 2.790 50 0 HFAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCc2ccccc2C1 ZINC000585148689 560741801 /nfs/dbraw/zinc/74/18/01/560741801.db2.gz AVSQBFNMUPAHSS-SFHVURJKSA-N -1 0 404.495 2.720 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000101169008 560787651 /nfs/dbraw/zinc/78/76/51/560787651.db2.gz GQISNFKRUHGBEB-JKSUJKDBSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000101169617 560787730 /nfs/dbraw/zinc/78/77/30/560787730.db2.gz LNQLWRWPXZVHSI-JKSUJKDBSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1Cl ZINC000101388793 560793972 /nfs/dbraw/zinc/79/39/72/560793972.db2.gz KKIUKGZKRXDUTM-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101417000 560794641 /nfs/dbraw/zinc/79/46/41/560794641.db2.gz IBFYTYZWEZEQPO-PMACEKPBSA-N -1 0 421.457 2.751 50 0 HFAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101417001 560794687 /nfs/dbraw/zinc/79/46/87/560794687.db2.gz IBFYTYZWEZEQPO-UXHICEINSA-N -1 0 421.457 2.751 50 0 HFAARM CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(OC)cc3OC)C2)c([O-])[nH]c1=S ZINC000101495264 560796390 /nfs/dbraw/zinc/79/63/90/560796390.db2.gz WLUXSZQZWMPQRJ-CYBMUJFWSA-N -1 0 404.492 2.867 50 0 HFAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1 ZINC000101892861 560804476 /nfs/dbraw/zinc/80/44/76/560804476.db2.gz LZBLRKVOZHAFNU-IRXDYDNUSA-N -1 0 420.454 2.952 50 0 HFAARM Cc1cc(C)cc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1 ZINC000085808810 568442465 /nfs/dbraw/zinc/44/24/65/568442465.db2.gz RIZMEKCFSMBGER-UHFFFAOYSA-N -1 0 415.475 2.718 50 0 HFAARM CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c1 ZINC000095463989 568622313 /nfs/dbraw/zinc/62/23/13/568622313.db2.gz AFXXTDDTDKNTPY-SFHVURJKSA-N -1 0 404.488 2.664 50 0 HFAARM CCOC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000020618527 568638321 /nfs/dbraw/zinc/63/83/21/568638321.db2.gz CYUVVXATRIPPQD-UHFFFAOYSA-N -1 0 419.484 2.705 50 0 HFAARM COc1c2c(cc3c1[C@@H](c1c([O-])[nH]c(=S)n(C(C)C)c1=O)N(C)CC3)OCO2 ZINC000020757134 568641504 /nfs/dbraw/zinc/64/15/04/568641504.db2.gz JVCBUPSCEATPDX-AWEZNQCLSA-N -1 0 405.476 2.507 50 0 biogenic HFAARM O=C(COC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)N1CCCCCC1 ZINC000225572359 568652633 /nfs/dbraw/zinc/65/26/33/568652633.db2.gz LNLASJVNXIGYGY-UHFFFAOYSA-N -1 0 408.398 2.508 50 0 HFAARM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCCO1 ZINC000095957017 568669515 /nfs/dbraw/zinc/66/95/15/568669515.db2.gz LLJQYNCVNRFSAI-TZMCWYRMSA-N -1 0 420.325 2.537 50 0 HFAARM CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(C(=O)[O-])cc2)CCO1 ZINC000096117826 568697259 /nfs/dbraw/zinc/69/72/59/568697259.db2.gz CAVGRHZCZXFJAK-CZUORRHYSA-N -1 0 417.487 2.779 50 0 HFAARM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000242197040 568732306 /nfs/dbraw/zinc/73/23/06/568732306.db2.gz XHGTWSFVYCJASJ-UHIISALHSA-N -1 0 405.875 2.760 50 0 HFAARM COc1cc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc(OC)c1 ZINC000096361077 568738924 /nfs/dbraw/zinc/73/89/24/568738924.db2.gz KERJKSGKWJLRIQ-UHFFFAOYSA-N -1 0 416.459 2.788 50 0 HFAARM CCOC(=O)c1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000096361053 568738968 /nfs/dbraw/zinc/73/89/68/568738968.db2.gz SVPFKUPTZZLQQL-UHFFFAOYSA-N -1 0 414.443 2.640 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cc(C)ccc2F)cc1 ZINC000096361163 568739094 /nfs/dbraw/zinc/73/90/94/568739094.db2.gz VXPVYLDQKGEJHL-UHFFFAOYSA-N -1 0 404.423 2.919 50 0 HFAARM CCOc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000096361247 568739106 /nfs/dbraw/zinc/73/91/06/568739106.db2.gz BNEVYGZOATXZJZ-UHFFFAOYSA-N -1 0 414.487 2.848 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)cc2F)cc1 ZINC000096361162 568739144 /nfs/dbraw/zinc/73/91/44/568739144.db2.gz FJFIBXBWCNSHMO-UHFFFAOYSA-N -1 0 404.423 2.919 50 0 HFAARM COCCOc1cc(NS(=O)(=O)/C=C\c2ccccc2)c(C(=O)[O-])cc1OC ZINC000096401397 568750328 /nfs/dbraw/zinc/75/03/28/568750328.db2.gz YSKWQWFSACSMIJ-FLIBITNWSA-N -1 0 407.444 2.831 50 0 HFAARM O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)Nc1cccc2nsnc21 ZINC000019080206 568752612 /nfs/dbraw/zinc/75/26/12/568752612.db2.gz YZDOAZFLGCGRET-UHFFFAOYSA-N -1 0 403.489 2.800 50 0 HFAARM CCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000000956185 568757611 /nfs/dbraw/zinc/75/76/11/568757611.db2.gz IAIPBOFXYMSOMB-UHFFFAOYSA-N -1 0 414.801 2.997 50 0 HFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1c(=O)sc2ccccc21 ZINC000334162090 568763838 /nfs/dbraw/zinc/76/38/38/568763838.db2.gz NYVNTMSXKLAYRO-INIZCTEOSA-N -1 0 409.467 2.747 50 0 HFAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578121 568770257 /nfs/dbraw/zinc/77/02/57/568770257.db2.gz NWYSWDAQHOYDRP-KRWDZBQOSA-N -1 0 401.536 2.794 50 0 HFAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(OC(F)F)c(Cl)c1 ZINC000055601800 568780391 /nfs/dbraw/zinc/78/03/91/568780391.db2.gz DBPZXQMLPQVGDN-UHFFFAOYSA-N -1 0 401.782 2.718 50 0 HFAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3nn(C)cc3Br)c2=O)s1 ZINC000002780696 568808558 /nfs/dbraw/zinc/80/85/58/568808558.db2.gz XQHFCOUOCNOBFZ-UHFFFAOYSA-N -1 0 410.297 2.599 50 0 HFAARM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000012525788 568842881 /nfs/dbraw/zinc/84/28/81/568842881.db2.gz DCLWUCCGDFJWOY-UHFFFAOYSA-N -1 0 405.501 2.642 50 0 HFAARM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000003334310 568882648 /nfs/dbraw/zinc/88/26/48/568882648.db2.gz VDIFNHPYBSDTGL-UHFFFAOYSA-N -1 0 412.471 2.857 50 0 HFAARM O=C(Cn1c(=O)[n-]n(-c2ccccc2)c1=O)Nc1ccccc1Oc1ccccc1 ZINC000003348600 568885108 /nfs/dbraw/zinc/88/51/08/568885108.db2.gz ZRCZXMCDEMHVTJ-UHFFFAOYSA-N -1 0 402.410 2.758 50 0 HFAARM COc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1N1CCCC1=O ZINC000012651398 568906694 /nfs/dbraw/zinc/90/66/94/568906694.db2.gz SVXZSLSTCJEGQH-UHFFFAOYSA-N -1 0 424.862 2.974 50 0 HFAARM CC(C)(C)OC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000585661985 568918223 /nfs/dbraw/zinc/91/82/23/568918223.db2.gz CEBNUHFDRRAXMB-UHFFFAOYSA-N -1 0 421.313 2.559 50 0 HFAARM CC[C@@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000004090364 568942056 /nfs/dbraw/zinc/94/20/56/568942056.db2.gz WVYRWOMIZDOVFX-CYBMUJFWSA-N -1 0 403.431 2.563 50 0 biogenic HFAARM CN1C(=O)N[C@H](c2ccc(O)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004100624 568942561 /nfs/dbraw/zinc/94/25/61/568942561.db2.gz QFDNUFFOHGSKGW-ZENOOKHLSA-N -1 0 400.378 2.900 50 0 HFAARM O=S(=O)([N-]c1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)nc1 ZINC000007988665 568965983 /nfs/dbraw/zinc/96/59/83/568965983.db2.gz VQIJIEHNUPEPCR-UHFFFAOYSA-N -1 0 410.908 2.982 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC2=NCCS2)c1 ZINC000008185110 568980301 /nfs/dbraw/zinc/98/03/01/568980301.db2.gz NTJFOAVXLZPMGQ-UHFFFAOYSA-N -1 0 405.501 2.637 50 0 HFAARM O=C([O-])c1ccc(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035340550 569033339 /nfs/dbraw/zinc/03/33/39/569033339.db2.gz OQTNFAJHFHPDST-SFHVURJKSA-N -1 0 418.745 2.895 50 0 HFAARM Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)c1C ZINC000006309506 569038668 /nfs/dbraw/zinc/03/86/68/569038668.db2.gz RKMDRKPYUUCUNY-UHFFFAOYSA-N -1 0 413.459 2.545 50 0 HFAARM COc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000006407007 569047019 /nfs/dbraw/zinc/04/70/19/569047019.db2.gz SSCKXRNZCOTJQX-UHFFFAOYSA-N -1 0 418.471 2.820 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(Cl)c3)n2)cc1OC ZINC000006502341 569061626 /nfs/dbraw/zinc/06/16/26/569061626.db2.gz BVFRWQVGDQHDCV-UHFFFAOYSA-N -1 0 408.867 2.798 50 0 HFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000006590699 569068659 /nfs/dbraw/zinc/06/86/59/569068659.db2.gz NKXSOAQNEKTJEQ-UHFFFAOYSA-N -1 0 414.443 2.808 50 0 HFAARM COc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3cccc(C)c3)s2)c1 ZINC000006778435 569118866 /nfs/dbraw/zinc/11/88/66/569118866.db2.gz NAATWMSNCJQUAW-UHFFFAOYSA-N -1 0 404.473 2.908 50 0 HFAARM CN1CC[NH+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1 ZINC000036358309 569149672 /nfs/dbraw/zinc/14/96/72/569149672.db2.gz WOFDHKDGNUKPQN-NRFANRHFSA-N -1 0 407.470 2.761 50 0 HFAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036360882 569152002 /nfs/dbraw/zinc/15/20/02/569152002.db2.gz PEHWQWIHWDQWIX-QGZVFWFLSA-N -1 0 417.462 2.555 50 0 HFAARM O=C(c1cc(C(=O)N2CCOCC2)c2nc3ccccc3n2c1)c1ccccc1[O-] ZINC000006909215 569178766 /nfs/dbraw/zinc/17/87/66/569178766.db2.gz DHECUJXWESDSMT-UHFFFAOYSA-N -1 0 401.422 2.897 50 0 HFAARM COc1ccc(OC)c(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)c1 ZINC000065250037 569206018 /nfs/dbraw/zinc/20/60/18/569206018.db2.gz UOFJVDIYKXQYGG-UHFFFAOYSA-N -1 0 420.425 2.997 50 0 HFAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000007054464 569214391 /nfs/dbraw/zinc/21/43/91/569214391.db2.gz VPCSZWJWEFBLGT-CYBMUJFWSA-N -1 0 400.547 2.970 50 0 HFAARM CCn1c(SCc2nn3c([n-]2)nc(C)cc3=O)nnc1-c1cccc(Cl)c1 ZINC000170595577 569241535 /nfs/dbraw/zinc/24/15/35/569241535.db2.gz UYONERHXGPWAHQ-UHFFFAOYSA-N -1 0 401.883 2.950 50 0 HFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 ZINC000013696719 569257236 /nfs/dbraw/zinc/25/72/36/569257236.db2.gz SBIURPBDOMRJHN-IBGZPJMESA-N -1 0 416.499 2.873 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCc3ccco3)cs2)cc1 ZINC000016848523 569265380 /nfs/dbraw/zinc/26/53/80/569265380.db2.gz UFEWYWBHOPUBIE-UHFFFAOYSA-N -1 0 421.500 2.795 50 0 HFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000089866614 569267449 /nfs/dbraw/zinc/26/74/49/569267449.db2.gz SWAPAOFUPXPKNK-LJQANCHMSA-N -1 0 409.417 2.860 50 0 HFAARM COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCCC(=O)[O-])ccc32)cc1 ZINC000002120289 569285330 /nfs/dbraw/zinc/28/53/30/569285330.db2.gz LTJVDZZNWUQWSE-UHFFFAOYSA-N -1 0 411.410 2.828 50 0 biogenic HFAARM CN1CCN([C@@H](c2ccc(Br)s2)c2sc3ncnn3c2[O-])CC1 ZINC000252491664 569387697 /nfs/dbraw/zinc/38/76/97/569387697.db2.gz LPWHDONUGOQGLX-NSHDSACASA-N -1 0 414.354 2.657 50 0 HFAARM Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc([N-]S(=O)(=O)N(C)C)nc3N2)cc1 ZINC000002414241 569397192 /nfs/dbraw/zinc/39/71/92/569397192.db2.gz OSKWTBJCZUDSRF-ROUUACIJSA-N -1 0 412.519 2.951 50 0 HFAARM Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc([N-]S(=O)(=O)N(C)C)nc3N2)cc1 ZINC000002414240 569397207 /nfs/dbraw/zinc/39/72/07/569397207.db2.gz OSKWTBJCZUDSRF-MSOLQXFVSA-N -1 0 412.519 2.951 50 0 HFAARM COc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])c(OC)c1 ZINC000012437203 569401444 /nfs/dbraw/zinc/40/14/44/569401444.db2.gz HLZFUSLLUUXKHO-OVCLIPMQSA-N -1 0 417.414 2.585 50 0 biogenic HFAARM COc1ccc(OC)c([C@@H]2[C@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)c1 ZINC000002455974 569409775 /nfs/dbraw/zinc/40/97/75/569409775.db2.gz OHDJSIAXILMNOK-RTBURBONSA-N -1 0 401.415 2.716 50 0 HFAARM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)cc1 ZINC000328596098 569416008 /nfs/dbraw/zinc/41/60/08/569416008.db2.gz SDAHNIBQURUNCV-UHFFFAOYSA-N -1 0 417.921 2.659 50 0 HFAARM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(Br)ccc2OC)c[nH]1 ZINC000078967442 569422115 /nfs/dbraw/zinc/42/21/15/569422115.db2.gz KFPYACDRNVSOTC-UHFFFAOYSA-N -1 0 403.254 2.763 50 0 HFAARM O=C([O-])[C@H]1CCCCN1C(=O)CCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000009253047 571242758 /nfs/dbraw/zinc/24/27/58/571242758.db2.gz WTSXYMBTQNCHKO-ADVGAGMGSA-N -1 0 406.435 2.718 50 0 HFAARM CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000009550233 571268176 /nfs/dbraw/zinc/26/81/76/571268176.db2.gz FYPQUHMVYMZTER-UHFFFAOYSA-N -1 0 408.520 2.577 50 0 HFAARM CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cnc21 ZINC000009586996 571271444 /nfs/dbraw/zinc/27/14/44/571271444.db2.gz ZTOYEQDVWVWGLF-UHFFFAOYSA-N -1 0 422.268 2.995 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Br)c4)c=3c2=O)cc1 ZINC000009939775 571290984 /nfs/dbraw/zinc/29/09/84/571290984.db2.gz OVNFWPLVKHBXGZ-JKSUJKDBSA-N -1 0 415.247 2.951 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)c(Cl)c4)c=3c2=O)cc1 ZINC000010272479 571298901 /nfs/dbraw/zinc/29/89/01/571298901.db2.gz MVJAHGLIJKBYQK-IAGOWNOFSA-N -1 0 415.812 2.719 50 0 HFAARM O=C([O-])C1(NC(=O)CCNC(=O)c2cc(F)ccc2Br)CCCCC1 ZINC000071804969 571301834 /nfs/dbraw/zinc/30/18/34/571301834.db2.gz SUJAFXVEPJJEAT-UHFFFAOYSA-N -1 0 415.259 2.612 50 0 HFAARM CCCNC(=O)[C@@H]1CCCN(c2ncccc2[N-]S(=O)(=O)c2ccccc2C)C1 ZINC000033303077 571316109 /nfs/dbraw/zinc/31/61/09/571316109.db2.gz PXERSDJGBDYJGF-QGZVFWFLSA-N -1 0 416.547 2.933 50 0 HFAARM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)NC3CC3)ccc21 ZINC000007323945 132323906 /nfs/dbraw/zinc/32/39/06/132323906.db2.gz HJCLCSIFURHEKQ-UHFFFAOYSA-N -1 0 413.499 2.679 50 0 HFAARM CS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1C(=O)[O-] ZINC000033259928 132781415 /nfs/dbraw/zinc/78/14/15/132781415.db2.gz GJSBPBBARSXGSN-UHFFFAOYSA-N -1 0 409.895 2.736 50 0 HFAARM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000882250 520749933 /nfs/dbraw/zinc/74/99/33/520749933.db2.gz BRATWIAGEUUOTN-JKSUJKDBSA-N -1 0 418.490 2.926 50 0 HFAARM O=C([O-])c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000019818097 526373077 /nfs/dbraw/zinc/37/30/77/526373077.db2.gz KIRGZCLTJVRQSB-HNNXBMFYSA-N -1 0 402.403 2.528 50 0 HFAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)NC1CCCCC1 ZINC000032836352 527077728 /nfs/dbraw/zinc/07/77/28/527077728.db2.gz LRDGJAIXRWZVDA-UHFFFAOYSA-N -1 0 402.476 2.556 50 0 HFAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)c1 ZINC000000945491 557122801 /nfs/dbraw/zinc/12/28/01/557122801.db2.gz VUTNOTNARNTUBO-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM COC(=O)Cc1nc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)sc1C ZINC000001028960 557146212 /nfs/dbraw/zinc/14/62/12/557146212.db2.gz ARCZLPWKPDOIDG-UHFFFAOYSA-N -1 0 410.395 2.866 50 0 HFAARM Cn1c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2n(C)c1=O ZINC000001058495 557162510 /nfs/dbraw/zinc/16/25/10/557162510.db2.gz HZGYZDNQKCEQGA-UHFFFAOYSA-N -1 0 402.295 2.502 50 0 HFAARM CCOC(=O)[C@]([N-]c1nnc(C)s1)(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000002050076 557300623 /nfs/dbraw/zinc/30/06/23/557300623.db2.gz HAOWDLOVIFQNDZ-CQSZACIVSA-N -1 0 406.361 2.649 50 0 HFAARM COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000002178514 557322334 /nfs/dbraw/zinc/32/23/34/557322334.db2.gz LQQYUWYEOUBXOY-DZZSIBQASA-N -1 0 414.389 2.779 50 0 HFAARM Cc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NCC(=O)[O-])cc1 ZINC000002910329 557425965 /nfs/dbraw/zinc/42/59/65/557425965.db2.gz NUSMHBNGQMRRHQ-MHWRWJLKSA-N -1 0 417.259 2.729 50 0 HFAARM CC(C)COc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)cc1 ZINC000034763964 557461153 /nfs/dbraw/zinc/46/11/53/557461153.db2.gz IPNQHNCXQZYQAS-UHFFFAOYSA-N -1 0 407.474 2.923 50 0 HFAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)c1 ZINC000034765187 557461865 /nfs/dbraw/zinc/46/18/65/557461865.db2.gz HDLBXBMLEQIMEM-AWEZNQCLSA-N -1 0 402.520 2.930 50 0 HFAARM COc1cc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)ccc1OC(C)C ZINC000034765979 557462107 /nfs/dbraw/zinc/46/21/07/557462107.db2.gz VJHCPODDRKFGHU-UHFFFAOYSA-N -1 0 418.519 2.548 50 0 HFAARM COc1cc(OC)cc(-c2nnc(CCC(=O)NCCc3cccs3)c(=O)[n-]2)c1 ZINC000034768208 557463005 /nfs/dbraw/zinc/46/30/05/557463005.db2.gz HKIIRLFWQRBMPH-UHFFFAOYSA-N -1 0 414.487 2.614 50 0 HFAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004646598 557574854 /nfs/dbraw/zinc/57/48/54/557574854.db2.gz CIVPYIYPPGXZPD-MBDNFAEBSA-N -1 0 418.493 2.574 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(C)c1 ZINC000004877965 557608987 /nfs/dbraw/zinc/60/89/87/557608987.db2.gz HGNJQCGSMXSNBH-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCOc3ccccc3)cc2)n1 ZINC000002709357 557744802 /nfs/dbraw/zinc/74/48/02/557744802.db2.gz CUKAAEJUWNRAAB-UHFFFAOYSA-N -1 0 412.471 2.993 50 0 HFAARM O=C([O-])c1cc(O)ccc1NC(=O)COc1ccc(I)cc1 ZINC000008417714 557787465 /nfs/dbraw/zinc/78/74/65/557787465.db2.gz WAJJDANYZUPTLP-UHFFFAOYSA-N -1 0 413.167 2.713 50 0 HFAARM CC(=O)NC1C(=O)N=C(SCC(=O)N(c2ccccc2)c2ccccc2)N=C1[O-] ZINC000010076996 557854946 /nfs/dbraw/zinc/85/49/46/557854946.db2.gz VHZKIEBUPSKSOA-UHFFFAOYSA-N -1 0 410.455 2.891 50 0 HFAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000013040252 558506789 /nfs/dbraw/zinc/50/67/89/558506789.db2.gz CAQARALBFJOYGL-UHFFFAOYSA-N -1 0 405.476 2.594 50 0 HFAARM CC(C)CCc1c([O-])nc(SCCN2CCOCC2)n(-c2ccccc2)c1=O ZINC000013382306 558531164 /nfs/dbraw/zinc/53/11/64/558531164.db2.gz KBKLFGZNVSBONJ-UHFFFAOYSA-N -1 0 403.548 2.951 50 0 HFAARM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3-c3nnc4n3CCCCC4)ccc2N1 ZINC000024346280 558595561 /nfs/dbraw/zinc/59/55/61/558595561.db2.gz VFXTYEOVNSMJIC-UHFFFAOYSA-N -1 0 423.498 2.967 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000004483274 558602927 /nfs/dbraw/zinc/60/29/27/558602927.db2.gz KCLQTHJBEAPKGE-UXHICEINSA-N -1 0 421.457 2.751 50 0 HFAARM O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000028255011 558694041 /nfs/dbraw/zinc/69/40/41/558694041.db2.gz YFQVCRNBGPGDND-UHFFFAOYSA-N -1 0 423.288 2.899 50 0 HFAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1cccc(OC)c1OC)N(C)C2=O ZINC000004563428 558733069 /nfs/dbraw/zinc/73/30/69/558733069.db2.gz KKWULAXBLFUDOA-MSOLQXFVSA-N -1 0 401.415 2.716 50 0 HFAARM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000032975681 558803142 /nfs/dbraw/zinc/80/31/42/558803142.db2.gz BABFPRKIQXYLCQ-IAGOWNOFSA-N -1 0 413.499 2.866 50 0 HFAARM Cc1cccc2c(-c3cc(C(=O)[O-])cc(S(=O)(=O)N4CCOCC4)c3)c[nH]c21 ZINC000071763259 558910273 /nfs/dbraw/zinc/91/02/73/558910273.db2.gz FMLFKJNGWSAWPC-UHFFFAOYSA-N -1 0 400.456 2.862 50 0 HFAARM COC(=O)c1ccccc1NC(=O)C[C@@]1(C(=O)[O-])CC(c2ccc(F)cc2)=NO1 ZINC000072404716 558979392 /nfs/dbraw/zinc/97/93/92/558979392.db2.gz LMFNTSXIYIDUHA-HXUWFJFHSA-N -1 0 400.362 2.589 50 0 HFAARM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2s1 ZINC000033299052 559048384 /nfs/dbraw/zinc/04/83/84/559048384.db2.gz SFQZOTGUOIKCLE-UHFFFAOYSA-N -1 0 415.518 2.886 50 0 HFAARM Cn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nnc1-c1ccncc1 ZINC000004753819 559050772 /nfs/dbraw/zinc/05/07/72/559050772.db2.gz AOLFDXIDGVQXLJ-UHFFFAOYSA-N -1 0 403.851 2.960 50 0 HFAARM CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3)c(O)c12 ZINC000100573254 559136765 /nfs/dbraw/zinc/13/67/65/559136765.db2.gz CPPNKJORYDIDHX-WBVHZDCISA-N -1 0 412.243 2.772 50 0 HFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)s1 ZINC000033763800 559242644 /nfs/dbraw/zinc/24/26/44/559242644.db2.gz KNEWXGUJYWWJFN-UHFFFAOYSA-N -1 0 406.938 2.987 50 0 HFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1 ZINC000024153314 559274498 /nfs/dbraw/zinc/27/44/98/559274498.db2.gz BIXJELDXGPINOJ-UHFFFAOYSA-N -1 0 416.503 2.725 50 0 HFAARM COc1ccc2c(COC(=O)c3ccccc3[N-]S(C)(=O)=O)cc(=O)oc2c1 ZINC000005573984 560623358 /nfs/dbraw/zinc/62/33/58/560623358.db2.gz SCTWEPBUXPRRRB-UHFFFAOYSA-N -1 0 403.412 2.530 50 0 HFAARM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000005579127 560627760 /nfs/dbraw/zinc/62/77/60/560627760.db2.gz LQAONBXHMDDNOF-LFYBBSHMSA-N -1 0 410.455 2.938 50 0 HFAARM CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC000005653058 560637200 /nfs/dbraw/zinc/63/72/00/560637200.db2.gz DVESIGLWJXIVTB-UHFFFAOYSA-N -1 0 417.531 2.582 50 0 HFAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 ZINC000004660749 560735857 /nfs/dbraw/zinc/73/58/57/560735857.db2.gz YHCIAOWCNGYCHE-UHFFFAOYSA-N -1 0 403.197 2.790 50 0 HFAARM Cc1ccc(S(=O)(=O)N2CCC(C([O-])=C3C(=O)CC(C)(C)CC3=O)CC2)cc1 ZINC000100916071 560763135 /nfs/dbraw/zinc/76/31/35/560763135.db2.gz OUILLQNXMTZECQ-UHFFFAOYSA-N -1 0 405.516 2.539 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2nc3ccccc3o2)cc1 ZINC000018198365 560783511 /nfs/dbraw/zinc/78/35/11/560783511.db2.gz SADQKHXEAWQLHU-UHFFFAOYSA-N -1 0 419.484 2.774 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1Cl ZINC000101352895 560792161 /nfs/dbraw/zinc/79/21/61/560792161.db2.gz SLWCOAYCUICAHQ-IRXDYDNUSA-N -1 0 415.812 2.719 50 0 HFAARM CCCCn1c(=O)c(C2=NN[C@H](c3ccc(OC)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000101495203 560796291 /nfs/dbraw/zinc/79/62/91/560796291.db2.gz HMTOQRZNEFQBIE-LBPRGKRZSA-N -1 0 404.492 2.867 50 0 HFAARM Cc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)s1 ZINC000101762742 560800673 /nfs/dbraw/zinc/80/06/73/560800673.db2.gz JFPRCLNLIRTPNG-GFCCVEGCSA-N -1 0 402.863 2.693 50 0 HFAARM Cc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)s1 ZINC000101763232 560801023 /nfs/dbraw/zinc/80/10/23/560801023.db2.gz CTHHHUIIMJCECS-LBPRGKRZSA-N -1 0 402.863 2.693 50 0 HFAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)N1CCOCC1 ZINC000101833042 560803042 /nfs/dbraw/zinc/80/30/42/560803042.db2.gz NDLBTGUUWVOFAB-UHFFFAOYSA-N -1 0 416.478 2.940 50 0 HFAARM CCOc1ccc(CN(C(=O)c2ccco2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101878120 560804252 /nfs/dbraw/zinc/80/42/52/560804252.db2.gz OTSWOKPPPSIYRE-UHFFFAOYSA-N -1 0 407.430 2.873 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)cc1 ZINC000101893677 560804572 /nfs/dbraw/zinc/80/45/72/560804572.db2.gz CZBNTXIHBMKAQF-IRXDYDNUSA-N -1 0 406.377 2.678 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1 ZINC000101174388 560851175 /nfs/dbraw/zinc/85/11/75/560851175.db2.gz GHPVWUHUEAVDHS-PMACEKPBSA-N -1 0 405.458 2.798 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(F)c(Cl)c1 ZINC000101166410 560851202 /nfs/dbraw/zinc/85/12/02/560851202.db2.gz IXTXTGSOQDZESY-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)n2)cc1 ZINC000101270969 560851503 /nfs/dbraw/zinc/85/15/03/560851503.db2.gz WMFYRTZSICITCI-IAGOWNOFSA-N -1 0 406.377 2.678 50 0 HFAARM COc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)NC(C)(C)C)cc1Cl ZINC000051316622 560856343 /nfs/dbraw/zinc/85/63/43/560856343.db2.gz YCJDYDKEPOSBES-UHFFFAOYSA-N -1 0 421.910 2.778 50 0 HFAARM Cc1cccc2sc(NC(=O)c3nc4n(n3)-c3ccccc3S(=O)(=O)[N-]4)nc21 ZINC000095394487 568604414 /nfs/dbraw/zinc/60/44/14/568604414.db2.gz NGFXOEQHHQMCJA-UHFFFAOYSA-N -1 0 412.456 2.552 50 0 HFAARM COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(-n2cc(C(=O)[O-])nn2)cc1 ZINC000095425185 568607884 /nfs/dbraw/zinc/60/78/84/568607884.db2.gz XHXNXGVAQUUOSB-UHFFFAOYSA-N -1 0 418.413 2.627 50 0 HFAARM O=C([O-])c1cccc2c3c([nH]c21)CCN(C(=O)CN1C(=O)CCc2ccccc21)C3 ZINC000095425187 568607926 /nfs/dbraw/zinc/60/79/26/568607926.db2.gz HTIVICXTVQIDKI-UHFFFAOYSA-N -1 0 403.438 2.730 50 0 HFAARM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]c3nccs3)c(Cl)c2o1 ZINC000095451079 568614519 /nfs/dbraw/zinc/61/45/19/568614519.db2.gz LABVQSRQVYAYSV-UHFFFAOYSA-N -1 0 410.658 2.794 50 0 HFAARM COc1ccc(-c2cc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])[nH]n2)cc1 ZINC000095463888 568622116 /nfs/dbraw/zinc/62/21/16/568622116.db2.gz GWQIUBRRQUJXRB-HXUWFJFHSA-N -1 0 404.426 2.992 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1F ZINC000095481481 568633637 /nfs/dbraw/zinc/63/36/37/568633637.db2.gz WGRFQZYFAWLELV-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM O=C1O[C@@H](c2c([O-])[nH]c(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)c2ccccc21 ZINC000095483427 568635072 /nfs/dbraw/zinc/63/50/72/568635072.db2.gz XQUGQHXYPVLXFB-CQSZACIVSA-N -1 0 404.300 2.510 50 0 HFAARM Cc1ccc(-c2nnc(SCC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)n2C)cc1 ZINC000241884882 568731735 /nfs/dbraw/zinc/73/17/35/568731735.db2.gz SYMZLMWXPHIIPW-UHFFFAOYSA-N -1 0 416.528 2.696 50 0 HFAARM CCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000000956187 568757616 /nfs/dbraw/zinc/75/76/16/568757616.db2.gz WWXUUJSRWZKZCC-UHFFFAOYSA-N -1 0 414.801 2.997 50 0 HFAARM Cc1nc([N-]S(=O)(=O)c2ccc(Br)cc2)sc1C(=O)N(C)C ZINC000005924890 568829881 /nfs/dbraw/zinc/82/98/81/568829881.db2.gz LUHVXUSAUDMYJC-UHFFFAOYSA-N -1 0 404.311 2.717 50 0 HFAARM CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000012525803 568842811 /nfs/dbraw/zinc/84/28/11/568842811.db2.gz KRLIKUJGSJEVEU-UHFFFAOYSA-N -1 0 412.533 2.741 50 0 HFAARM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012525902 568842873 /nfs/dbraw/zinc/84/28/73/568842873.db2.gz QWISHFDRYALMJT-UHFFFAOYSA-N -1 0 405.295 2.945 50 0 HFAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O)N1CCOCC1 ZINC000003043803 568848450 /nfs/dbraw/zinc/84/84/50/568848450.db2.gz QUEIRHIOGNCFQY-UHFFFAOYSA-N -1 0 415.902 2.859 50 0 HFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCCC1 ZINC000012548434 568851611 /nfs/dbraw/zinc/85/16/11/568851611.db2.gz NROCYOAAWUORRT-UHFFFAOYSA-N -1 0 418.500 2.879 50 0 HFAARM CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccs2)CC1 ZINC000058009301 568875078 /nfs/dbraw/zinc/87/50/78/568875078.db2.gz DGSYZSNLCKAUGU-UHFFFAOYSA-N -1 0 409.533 2.779 50 0 HFAARM O=C(Nc1ccc2c(c1)OCO2)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628086 568881879 /nfs/dbraw/zinc/88/18/79/568881879.db2.gz MFECYFVYMWYOPV-UHFFFAOYSA-N -1 0 403.441 2.925 50 0 HFAARM Cc1ccc(NC(=O)c2cn([N-]C(=O)c3cnccn3)c(=O)c3ccccc23)cc1F ZINC000004757282 568935329 /nfs/dbraw/zinc/93/53/29/568935329.db2.gz FNOYIELFNRAWER-UHFFFAOYSA-N -1 0 417.400 2.875 50 0 HFAARM O=C(Nc1ncccn1)C1=C([O-])c2ccccc2S(=O)(=O)N1Cc1ccccc1 ZINC000038145191 568972725 /nfs/dbraw/zinc/97/27/25/568972725.db2.gz YGBXZXGXABWGTQ-UHFFFAOYSA-N -1 0 408.439 2.546 50 0 HFAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008156557 568977961 /nfs/dbraw/zinc/97/79/61/568977961.db2.gz SFQAEBJOIISFPV-UHFFFAOYSA-N -1 0 400.508 2.823 50 0 HFAARM COc1cc(OC)cc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000015861952 569015666 /nfs/dbraw/zinc/01/56/66/569015666.db2.gz WKPZGUMFKAVGBO-UHFFFAOYSA-N -1 0 407.473 2.937 50 0 HFAARM Cc1cc(C)cc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)c1 ZINC000006309299 569038654 /nfs/dbraw/zinc/03/86/54/569038654.db2.gz QAAOHLXVQPCGTD-UHFFFAOYSA-N -1 0 413.459 2.545 50 0 HFAARM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@H]4[C@@H]2Sc2[nH]c(=O)sc2[C@H]4c2ccccc2OC(=O)[C@@H]31 ZINC000239358368 569054243 /nfs/dbraw/zinc/05/42/43/569054243.db2.gz NDQHCUSCDKVEEN-VABQOHJCSA-N -1 0 401.465 2.545 50 0 HFAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000016534189 569058443 /nfs/dbraw/zinc/05/84/43/569058443.db2.gz VYKYWAHAPBQMRS-GRSHGNNSSA-N -1 0 417.400 2.990 50 0 HFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])C(C)C)OC(C)(C)CC3 ZINC000006624443 569075580 /nfs/dbraw/zinc/07/55/80/569075580.db2.gz BBLOMGSLMFRRBI-IBGZPJMESA-N -1 0 401.459 2.973 50 0 biogenic HFAARM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)ccc1C ZINC000036392348 569167474 /nfs/dbraw/zinc/16/74/74/569167474.db2.gz LKPWERNGBCQUPD-UHFFFAOYSA-N -1 0 424.422 2.603 50 0 HFAARM O=S(=O)([N-]c1cnn(-c2ncc(N3CCCC3)cn2)c1)c1ccc2c(c1)CCCC2 ZINC000065231916 569201271 /nfs/dbraw/zinc/20/12/71/569201271.db2.gz JXJIQHBARAJFPV-UHFFFAOYSA-N -1 0 424.530 2.942 50 0 HFAARM CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)[O-] ZINC000036569389 569201428 /nfs/dbraw/zinc/20/14/28/569201428.db2.gz IFCSTIWTUVNXRA-GTNSWQLSSA-N -1 0 405.447 2.667 50 0 HFAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1 ZINC000065250046 569205993 /nfs/dbraw/zinc/20/59/93/569205993.db2.gz UHEVGMKNSCRQES-UHFFFAOYSA-N -1 0 418.409 2.767 50 0 HFAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccc(OCC(C)C)cc2)cc2c(=O)[nH]nc1-2 ZINC000524733971 569214044 /nfs/dbraw/zinc/21/40/44/569214044.db2.gz JQFDQIBPDCSISE-KRWDZBQOSA-N -1 0 413.430 2.974 50 0 HFAARM Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)cc(Br)c3[O-])CC2)on1 ZINC000065492546 569232326 /nfs/dbraw/zinc/23/23/26/569232326.db2.gz LAUXPZULHJGPOZ-UHFFFAOYSA-N -1 0 422.279 2.794 50 0 HFAARM C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1)C(=O)[O-] ZINC000037018993 569235215 /nfs/dbraw/zinc/23/52/15/569235215.db2.gz ZQCGHGAFFBLIBA-SZGZABIGSA-N -1 0 422.437 2.791 50 0 HFAARM CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C=C(C)C(=O)[O-])cc2)cc1 ZINC000013579300 569256458 /nfs/dbraw/zinc/25/64/58/569256458.db2.gz KWUNSTOXYQPGFU-QBFSEMIESA-N -1 0 424.409 2.654 50 0 HFAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000002113276 569284080 /nfs/dbraw/zinc/28/40/80/569284080.db2.gz DVENOBKUOSDRQE-INIZCTEOSA-N -1 0 401.802 2.637 50 0 biogenic HFAARM Cc1c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002152731 569290105 /nfs/dbraw/zinc/29/01/05/569290105.db2.gz SQBUCWHGLFKHSR-UGSOOPFHSA-N -1 0 401.459 2.973 50 0 biogenic HFAARM COc1cc(OC)cc(C2=N/C(=C\c3ccc(OCC(=O)[O-])c(OC)c3)C(=O)O2)c1 ZINC000007925383 569327318 /nfs/dbraw/zinc/32/73/18/569327318.db2.gz ITAXNCKWPKKKEG-SOFYXZRVSA-N -1 0 413.382 2.520 50 0 HFAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2csnc2C(=O)OC)c(F)cc1Cl ZINC000253424690 569368032 /nfs/dbraw/zinc/36/80/32/569368032.db2.gz JTBOALZSDHYSFP-UHFFFAOYSA-N -1 0 422.843 2.700 50 0 HFAARM CC(C)C[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-] ZINC000012656760 569402435 /nfs/dbraw/zinc/40/24/35/569402435.db2.gz AKKVZFLVDFONCT-ZKTNYTPDSA-N -1 0 424.453 2.802 50 0 biogenic HFAARM COc1ccc(OC)c([C@H]2[C@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)c1 ZINC000002455971 569409714 /nfs/dbraw/zinc/40/97/14/569409714.db2.gz OHDJSIAXILMNOK-MOPGFXCFSA-N -1 0 401.415 2.716 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H]2O)ccc1C ZINC000078933475 569421674 /nfs/dbraw/zinc/42/16/74/569421674.db2.gz DMDBXIKAZZFOTD-AEFFLSMTSA-N -1 0 418.515 2.695 50 0 HFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CN2CCOc3ccc(Cl)cc32)c1 ZINC000078995431 569423187 /nfs/dbraw/zinc/42/31/87/569423187.db2.gz SMYRAENOAVDBPM-UHFFFAOYSA-N -1 0 410.879 2.677 50 0 HFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)cc2c1OCCO2 ZINC000057115517 571049697 /nfs/dbraw/zinc/04/96/97/571049697.db2.gz RAWSSPBPNAONEE-UHFFFAOYSA-N -1 0 414.233 2.719 50 0 HFAARM CCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2C1 ZINC000008840379 571123469 /nfs/dbraw/zinc/12/34/69/571123469.db2.gz NQPKIDKDGLGDFI-UHFFFAOYSA-N -1 0 400.547 2.565 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(OC)c1 ZINC000009165694 571232510 /nfs/dbraw/zinc/23/25/10/571232510.db2.gz BDYVUOUCYYMUNV-UHFFFAOYSA-N -1 0 420.487 2.886 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 ZINC000009165424 571232531 /nfs/dbraw/zinc/23/25/31/571232531.db2.gz IYHQVNYBYPLJQA-UHFFFAOYSA-N -1 0 420.487 2.886 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccccc1F ZINC000009675359 571278865 /nfs/dbraw/zinc/27/88/65/571278865.db2.gz QOMFXOYDTLUOOS-CVEARBPZSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000009675144 571278872 /nfs/dbraw/zinc/27/88/72/571278872.db2.gz GQISNFKRUHGBEB-CVEARBPZSA-N -1 0 419.775 2.550 50 0 HFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCC1 ZINC000009684855 571279619 /nfs/dbraw/zinc/27/96/19/571279619.db2.gz VQCWNUIMCSBVBX-UHFFFAOYSA-N -1 0 405.520 2.996 50 0 HFAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(C)n1C ZINC000009685081 571279666 /nfs/dbraw/zinc/27/96/66/571279666.db2.gz XAOBDTRJTHBSLU-UHFFFAOYSA-N -1 0 419.503 2.798 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3nccs3)cs2)cc1 ZINC000009821113 571286304 /nfs/dbraw/zinc/28/63/04/571286304.db2.gz PUDMOSOEDAKYDK-UHFFFAOYSA-N -1 0 410.502 2.590 50 0 HFAARM COc1ccccc1CNC(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009828690 571286920 /nfs/dbraw/zinc/28/69/20/571286920.db2.gz SNETVOISBKITJX-UHFFFAOYSA-N -1 0 417.512 2.811 50 0 HFAARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNn3c(C)nc4ccccc4c3=O)C2=O)c1 ZINC000038160491 571317534 /nfs/dbraw/zinc/31/75/34/571317534.db2.gz RJSZNISATJDDDB-LFIBNONCSA-N -1 0 403.398 2.564 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1 ZINC000032087969 519679227 /nfs/dbraw/zinc/67/92/27/519679227.db2.gz DMLSVTPYCCDJFK-UHFFFAOYSA-N -1 0 405.863 2.758 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cc(C)c2C)c(OC)c1 ZINC000044803278 524687137 /nfs/dbraw/zinc/68/71/37/524687137.db2.gz GYUSRZOUHDRENS-UHFFFAOYSA-N -1 0 415.471 2.872 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)c1 ZINC000032943718 524871369 /nfs/dbraw/zinc/87/13/69/524871369.db2.gz TVWIABLYOPPSPD-UHFFFAOYSA-N -1 0 408.501 2.963 50 0 HFAARM Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1Cl ZINC000032081102 525301149 /nfs/dbraw/zinc/30/11/49/525301149.db2.gz YAMMZEZIVJGEEA-GFCCVEGCSA-N -1 0 408.863 2.887 50 0 HFAARM NC(=O)c1c(SCC(=O)Nc2cccc(Cl)c2)sc2c1[nH]c(=O)cc2[O-] ZINC000044919799 527019734 /nfs/dbraw/zinc/01/97/34/527019734.db2.gz SUMIAWQQWKYUIM-UHFFFAOYSA-N -1 0 409.876 2.778 50 0 HFAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)NCCc1ccccn1 ZINC000032657854 527237944 /nfs/dbraw/zinc/23/79/44/527237944.db2.gz RSOLMBJTGZUEGU-UHFFFAOYSA-N -1 0 401.513 2.845 50 0 HFAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000008717937 536562516 /nfs/dbraw/zinc/56/25/16/536562516.db2.gz FLBYBQBVMFWXEI-UHFFFAOYSA-N -1 0 424.544 2.825 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)nc(OC)n1 ZINC000000786511 557080334 /nfs/dbraw/zinc/08/03/34/557080334.db2.gz QDVFUOGBDVZSPH-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM CCN1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c3cccc(c23)C1=O ZINC000000816448 557091128 /nfs/dbraw/zinc/09/11/28/557091128.db2.gz TXSBMLZDZBAKCN-KRWDZBQOSA-N -1 0 424.478 2.794 50 0 HFAARM C[C@H](NC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002049262 557300338 /nfs/dbraw/zinc/30/03/38/557300338.db2.gz MPRWRADRWSUPBE-XJKSGUPXSA-N -1 0 408.495 2.889 50 0 HFAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])cc1 ZINC000002701258 557369067 /nfs/dbraw/zinc/36/90/67/557369067.db2.gz ZINZJWYAJXCTMR-OAHLLOKOSA-N -1 0 411.501 2.972 50 0 HFAARM COc1ccc(CCNC(=O)CCc2nnc(-c3cccc(C)c3)[n-]c2=O)cc1OC ZINC000034768693 557463325 /nfs/dbraw/zinc/46/33/25/557463325.db2.gz XBPLMNHGSYVVPR-UHFFFAOYSA-N -1 0 422.485 2.861 50 0 biogenic HFAARM C[C@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(O)c2C(=O)O1 ZINC000003874551 557501811 /nfs/dbraw/zinc/50/18/11/557501811.db2.gz RWQKHEORZBHNRI-BONVTDFDSA-N -1 0 403.818 2.573 50 0 in-vitro HFAARM COC(=O)COc1c(OC)ccc(S(=O)(=O)[N-]c2cccc(F)c2C)c1OC ZINC000004727418 557587452 /nfs/dbraw/zinc/58/74/52/557587452.db2.gz NITUNNQLSRUBOD-UHFFFAOYSA-N -1 0 413.423 2.504 50 0 HFAARM COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000006624369 557710919 /nfs/dbraw/zinc/71/09/19/557710919.db2.gz OTTSLIVXLRPURC-RNODOKPDSA-N -1 0 414.458 2.843 50 0 biogenic HFAARM COc1ccccc1N1CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000003043866 557786918 /nfs/dbraw/zinc/78/69/18/557786918.db2.gz BBEUPEGVSBYKDL-UHFFFAOYSA-N -1 0 424.526 2.807 50 0 HFAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855101 557842193 /nfs/dbraw/zinc/84/21/93/557842193.db2.gz IWEHXBZDWKDUEY-MRXNPFEDSA-N -1 0 419.938 2.966 50 0 HFAARM O=C([O-])c1cc(Br)ccc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000009434765 557843201 /nfs/dbraw/zinc/84/32/01/557843201.db2.gz VHFRIKPZXSWVSO-UHFFFAOYSA-N -1 0 417.215 2.772 50 0 HFAARM CCCOc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1Br ZINC000011566053 558264359 /nfs/dbraw/zinc/26/43/59/558264359.db2.gz VYIMYTZEDHEALI-UHFFFAOYSA-N -1 0 406.298 2.723 50 0 HFAARM CCCC[C@@H](Sc1nc(C2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000004341301 558424954 /nfs/dbraw/zinc/42/49/54/558424954.db2.gz JGVQVASNAQOHPI-CYBMUJFWSA-N -1 0 420.535 2.810 50 0 HFAARM O=C([O-])CCCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012805409 558473165 /nfs/dbraw/zinc/47/31/65/558473165.db2.gz IYUSUGJBEAJGJZ-UHFFFAOYSA-N -1 0 424.563 2.945 50 0 HFAARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)s1 ZINC000012979688 558493119 /nfs/dbraw/zinc/49/31/19/558493119.db2.gz VDEAKQPJGLIQHZ-UHFFFAOYSA-N -1 0 421.504 2.746 50 0 HFAARM COC(=O)Cc1csc(NC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)n1 ZINC000013548681 558538513 /nfs/dbraw/zinc/53/85/13/558538513.db2.gz JPMLMHANEUYNDN-UHFFFAOYSA-N -1 0 422.846 2.814 50 0 HFAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000013611120 558548564 /nfs/dbraw/zinc/54/85/64/558548564.db2.gz SBYIUXAUEACNKU-HNNXBMFYSA-N -1 0 401.426 2.706 50 0 HFAARM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000024374472 558596340 /nfs/dbraw/zinc/59/63/40/558596340.db2.gz JYJGELJWDYAFKH-UHFFFAOYSA-N -1 0 424.422 2.636 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000004483766 558603086 /nfs/dbraw/zinc/60/30/86/558603086.db2.gz CUPVQXOFHJWYMY-IAGOWNOFSA-N -1 0 400.822 2.851 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1C ZINC000004484103 558603447 /nfs/dbraw/zinc/60/34/47/558603447.db2.gz HLUHKOALOAWVNG-WOJBJXKFSA-N -1 0 405.458 2.852 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000015341361 558734682 /nfs/dbraw/zinc/73/46/82/558734682.db2.gz CQJTWHNMKJBTIC-HUUCEWRRSA-N -1 0 404.488 2.745 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1NC(C)=O ZINC000016121236 558772958 /nfs/dbraw/zinc/77/29/58/558772958.db2.gz SXMNVPVJKZPSMT-UHFFFAOYSA-N -1 0 417.487 2.690 50 0 HFAARM O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000016265565 558776788 /nfs/dbraw/zinc/77/67/88/558776788.db2.gz KDOOIIJQDDHACY-KGLIPLIRSA-N -1 0 423.903 2.966 50 0 HFAARM C[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017088033 558816907 /nfs/dbraw/zinc/81/69/07/558816907.db2.gz BIXMOXXOGZBLHH-LBPRGKRZSA-N -1 0 408.520 2.975 50 0 HFAARM C[C@@]1(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)NC(=O)NC1=O ZINC000046406105 558913098 /nfs/dbraw/zinc/91/30/98/558913098.db2.gz HVVRBIJSVZBYNR-INIZCTEOSA-N -1 0 414.270 2.849 50 0 HFAARM C[C@]1(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)NC(=O)NC1=O ZINC000046406106 558913120 /nfs/dbraw/zinc/91/31/20/558913120.db2.gz HVVRBIJSVZBYNR-MRXNPFEDSA-N -1 0 414.270 2.849 50 0 HFAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000021778501 558948944 /nfs/dbraw/zinc/94/89/44/558948944.db2.gz IBFYTYZWEZEQPO-VQTJNVASSA-N -1 0 421.457 2.751 50 0 HFAARM CCn1cc(Cl)c(C(=O)N2CCc3c(=O)n4[n-]c(-c5ccccc5)cc4nc3C2)n1 ZINC000097123010 558995742 /nfs/dbraw/zinc/99/57/42/558995742.db2.gz ICPPFFBMERYWBU-UHFFFAOYSA-N -1 0 422.876 2.758 50 0 HFAARM CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C=O)C[C@H]1C(=O)[O-] ZINC000095080823 559079319 /nfs/dbraw/zinc/07/93/19/559079319.db2.gz AAKRWXXMNRYVSC-AWEZNQCLSA-N -1 0 413.268 2.772 50 0 HFAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000100028386 559128762 /nfs/dbraw/zinc/12/87/62/559128762.db2.gz FMZRSDPJUYDBCT-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM O=C(c1c([O-])c2cccc3c2n(c1=O)CCC3)N1CCN(Cc2ccccc2)CC1 ZINC000100662831 559137606 /nfs/dbraw/zinc/13/76/06/559137606.db2.gz XDRIDZHGSGZDPJ-UHFFFAOYSA-N -1 0 403.482 2.611 50 0 HFAARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205953563 559186843 /nfs/dbraw/zinc/18/68/43/559186843.db2.gz QCLQDKOTTFFKNM-ZDUSSCGKSA-N -1 0 418.833 2.766 50 0 HFAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000004992489 559224984 /nfs/dbraw/zinc/22/49/84/559224984.db2.gz FARYJTWZEQLXHM-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100740336 559261065 /nfs/dbraw/zinc/26/10/65/559261065.db2.gz QAYQGXRPYWXCPN-AEFFLSMTSA-N -1 0 411.845 2.946 50 0 HFAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H]1CCc2ccccc2N(CC(=O)[O-])C1=O ZINC000001530565 560583529 /nfs/dbraw/zinc/58/35/29/560583529.db2.gz XPCFTKFZXHTYIP-UXHICEINSA-N -1 0 424.497 2.573 50 0 HFAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000005379699 560625436 /nfs/dbraw/zinc/62/54/36/560625436.db2.gz WUEKDELKOCASDI-IRXDYDNUSA-N -1 0 401.463 2.679 50 0 HFAARM Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@@](O)(c2sc(N)nc2O)C1=O ZINC000017878625 560729808 /nfs/dbraw/zinc/72/98/08/560729808.db2.gz PWLSMOUEIRLDLQ-XMSQKQJNSA-N -1 0 409.511 2.810 50 0 HFAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccccc1I ZINC000100875091 560761577 /nfs/dbraw/zinc/76/15/77/560761577.db2.gz HXQQFQMDFPILRO-KBPBESRZSA-N -1 0 418.194 2.789 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000018162387 560780629 /nfs/dbraw/zinc/78/06/29/560780629.db2.gz SMEWXXBDLAMFBF-QZTJIDSGSA-N -1 0 411.849 2.834 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1 ZINC000101166011 560787327 /nfs/dbraw/zinc/78/73/27/560787327.db2.gz ZNZLNAPQBCBEJM-ZWKOTPCHSA-N -1 0 411.849 2.834 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(F)c4)c=3c2=O)cc1C ZINC000101169423 560787748 /nfs/dbraw/zinc/78/77/48/560787748.db2.gz MGXTYNDWNBDIAK-RBUKOAKNSA-N -1 0 409.421 2.683 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)n2)cc1 ZINC000101270968 560790943 /nfs/dbraw/zinc/79/09/43/560790943.db2.gz WMFYRTZSICITCI-IRXDYDNUSA-N -1 0 406.377 2.678 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(F)c5)c(=O)c3=4)n2)cc1 ZINC000101272599 560791103 /nfs/dbraw/zinc/79/11/03/560791103.db2.gz INOYWDZQCWKRNF-DLBZAZTESA-N -1 0 424.367 2.817 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1C ZINC000101387295 560793899 /nfs/dbraw/zinc/79/38/99/560793899.db2.gz HSIZWJPVUGVISY-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000101416333 560794600 /nfs/dbraw/zinc/79/46/00/560794600.db2.gz LGDXRHCKEQCRIU-ROUUACIJSA-N -1 0 411.849 2.834 50 0 HFAARM Cc1nc2[nH]cnn2c(=O)c1CCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000101494037 560796097 /nfs/dbraw/zinc/79/60/97/560796097.db2.gz QIFMZFVHWLHVOK-UHFFFAOYSA-N -1 0 415.497 2.997 50 0 HFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)n(C)c1=O ZINC000101766406 560799756 /nfs/dbraw/zinc/79/97/56/560799756.db2.gz PYXAFDHQSQJYNH-KRWDZBQOSA-N -1 0 409.467 2.853 50 0 HFAARM CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1 ZINC000101762382 560800462 /nfs/dbraw/zinc/80/04/62/560800462.db2.gz XUPDPHRJMKFAEP-SFHVURJKSA-N -1 0 404.470 2.853 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)cc1 ZINC000101893671 560804583 /nfs/dbraw/zinc/80/45/83/560804583.db2.gz CZBNTXIHBMKAQF-DLBZAZTESA-N -1 0 406.377 2.678 50 0 HFAARM CCn1c(=O)c2ccc(C(=O)NCC(C)(C)C(=O)OC(C)(C)C)cc2[n-]c1=S ZINC000102068241 560807658 /nfs/dbraw/zinc/80/76/58/560807658.db2.gz HZAHQOGLITYHMJ-UHFFFAOYSA-N -1 0 405.520 2.803 50 0 HFAARM NC(=O)COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c1 ZINC000049547728 568451585 /nfs/dbraw/zinc/45/15/85/568451585.db2.gz VFYVERDZGPJGTK-MRXNPFEDSA-N -1 0 405.410 2.514 50 0 HFAARM O=C([O-])c1csc(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000049611713 568452544 /nfs/dbraw/zinc/45/25/44/568452544.db2.gz XFCQFIOOHYRKKO-UHFFFAOYSA-N -1 0 418.899 2.745 50 0 HFAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)[n-]c2=O)cc1 ZINC000012347869 568495890 /nfs/dbraw/zinc/49/58/90/568495890.db2.gz PTXTUUBCOPTULI-UHFFFAOYSA-N -1 0 424.482 2.698 50 0 HFAARM Cc1ccc(OC2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)cc1 ZINC000222298999 568514615 /nfs/dbraw/zinc/51/46/15/568514615.db2.gz UPFFULAWZCPPNQ-QFIPXVFZSA-N -1 0 402.491 2.659 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000095349942 568600753 /nfs/dbraw/zinc/60/07/53/568600753.db2.gz WQCKDJPICYCQMX-UHFFFAOYSA-N -1 0 404.488 2.688 50 0 HFAARM O=C([O-])COc1cccc(CNC(=O)c2cnn3c2nccc3-c2ccccc2)c1 ZINC000095425480 568607888 /nfs/dbraw/zinc/60/78/88/568607888.db2.gz XOSOFDQAKGTARU-UHFFFAOYSA-N -1 0 402.410 2.790 50 0 HFAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000020491811 568614665 /nfs/dbraw/zinc/61/46/65/568614665.db2.gz BCMOIIFZCHAIDR-UHFFFAOYSA-N -1 0 410.835 2.648 50 0 HFAARM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C[C@H](NC(N)=O)c3ccccc3F)c2)n1 ZINC000040151985 568625184 /nfs/dbraw/zinc/62/51/84/568625184.db2.gz OFWNIUFEAPZYJZ-SFHVURJKSA-N -1 0 423.448 2.877 50 0 HFAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1)n(C)c(=O)n2C ZINC000020853942 568645170 /nfs/dbraw/zinc/64/51/70/568645170.db2.gz CQYSWZCWBPSGSB-UHFFFAOYSA-N -1 0 403.504 2.885 50 0 HFAARM COC(=O)CCSc1ncccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096013531 568685482 /nfs/dbraw/zinc/68/54/82/568685482.db2.gz SYYLHSKPYLFKMK-UHFFFAOYSA-N -1 0 421.422 2.951 50 0 HFAARM COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096117226 568696702 /nfs/dbraw/zinc/69/67/02/568696702.db2.gz UOCVVCNJFSKGAE-ZDUSSCGKSA-N -1 0 410.817 2.692 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCc1ccc(C)cc1)c2=O ZINC000012415880 568717915 /nfs/dbraw/zinc/71/79/15/568717915.db2.gz RRJFXEHJZNBSPP-UHFFFAOYSA-N -1 0 411.483 2.861 50 0 HFAARM Cc1ccc2c(c1)N(C(=O)CSC1=Nc3ccccc3S(=O)(=O)[N-]1)CCO2 ZINC000021661407 568736064 /nfs/dbraw/zinc/73/60/64/568736064.db2.gz MZSUINVGLXAWAT-UHFFFAOYSA-N -1 0 403.485 2.624 50 0 HFAARM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000000942845 568753842 /nfs/dbraw/zinc/75/38/42/568753842.db2.gz YOASAPWQHODQGX-UHFFFAOYSA-N -1 0 412.471 2.912 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)ncn1 ZINC000000945090 568754409 /nfs/dbraw/zinc/75/44/09/568754409.db2.gz FLQPKRJLDNMYBA-UHFFFAOYSA-N -1 0 420.397 2.817 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(OC)c(OC)c3)s2)cc1 ZINC000000987638 568760666 /nfs/dbraw/zinc/76/06/66/568760666.db2.gz JKUOIVPYYCOABN-UHFFFAOYSA-N -1 0 421.500 2.956 50 0 HFAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]c3c(C)c(Cl)c(C)nc3Cl)nc2n1 ZINC000001059324 568765818 /nfs/dbraw/zinc/76/58/18/568765818.db2.gz PUIDMJBPUPNLAS-UHFFFAOYSA-N -1 0 401.279 2.861 50 0 HFAARM Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000022609318 568771679 /nfs/dbraw/zinc/77/16/79/568771679.db2.gz CIMBTJXQSULXTG-QGZVFWFLSA-N -1 0 423.498 2.945 50 0 HFAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000002889846 568814912 /nfs/dbraw/zinc/81/49/12/568814912.db2.gz KGIPZVJIBXAEOP-UHFFFAOYSA-N -1 0 405.476 2.736 50 0 HFAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@@]34C(=O)[O-])C1=CC[C@H]2C1=CC(=O)OC1 ZINC000257349268 568817723 /nfs/dbraw/zinc/81/77/23/568817723.db2.gz MXFWAFDRZXOGBT-KKAUFQCFSA-N -1 0 402.487 2.589 50 0 HFAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2c(C)nn(C(C)C)c2C)c1 ZINC000057279439 568825725 /nfs/dbraw/zinc/82/57/25/568825725.db2.gz CGIOFELPZKKNRD-UHFFFAOYSA-N -1 0 419.511 2.564 50 0 HFAARM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000012525940 568842839 /nfs/dbraw/zinc/84/28/39/568842839.db2.gz FBPUWIXUTATKSM-UHFFFAOYSA-N -1 0 419.322 2.548 50 0 HFAARM CCCCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012535989 568845392 /nfs/dbraw/zinc/84/53/92/568845392.db2.gz JEAHFMVENVPPIJ-UHFFFAOYSA-N -1 0 402.476 2.529 50 0 HFAARM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1 ZINC000012544874 568850038 /nfs/dbraw/zinc/85/00/38/568850038.db2.gz HJEYRVKSCRUVQA-UHFFFAOYSA-N -1 0 402.497 2.647 50 0 HFAARM COc1ccc(CCNC(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000012628006 568881685 /nfs/dbraw/zinc/88/16/85/568881685.db2.gz WETJDFCGCYHMNO-UHFFFAOYSA-N -1 0 417.512 2.925 50 0 HFAARM CONC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000012630466 568883572 /nfs/dbraw/zinc/88/35/72/568883572.db2.gz DMKMBPOLILNYTO-UHFFFAOYSA-N -1 0 415.265 2.550 50 0 HFAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OC(C)C)cc2)cc1 ZINC000004110909 568944019 /nfs/dbraw/zinc/94/40/19/568944019.db2.gz COWXSRNCDHSQCQ-LJQANCHMSA-N -1 0 420.487 2.927 50 0 HFAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)[n-]c2=O)cc1 ZINC000004317392 568962639 /nfs/dbraw/zinc/96/26/39/568962639.db2.gz XGRLOFDRLBFWGD-UHFFFAOYSA-N -1 0 412.471 2.916 50 0 HFAARM Cc1nc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cs1 ZINC000007995593 568967375 /nfs/dbraw/zinc/96/73/75/568967375.db2.gz XUOBBTIVMNYTOC-UHFFFAOYSA-N -1 0 417.516 2.840 50 0 HFAARM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000012794438 568970712 /nfs/dbraw/zinc/97/07/12/568970712.db2.gz UEBRGMPFHZPXMD-GOSISDBHSA-N -1 0 402.472 2.509 50 0 HFAARM COC(=O)c1c(SCC(=O)NCc2cccc(OC)c2)[n-]c2ccccc2c1=O ZINC000015731530 568982008 /nfs/dbraw/zinc/98/20/08/568982008.db2.gz XZVXHAHEJUZWPN-UHFFFAOYSA-N -1 0 412.467 2.732 50 0 HFAARM COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C ZINC000015864797 569016646 /nfs/dbraw/zinc/01/66/46/569016646.db2.gz DKTMPZNAMNEIJN-UHFFFAOYSA-N -1 0 424.544 2.961 50 0 HFAARM CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000035397698 569034969 /nfs/dbraw/zinc/03/49/69/569034969.db2.gz JNPJKLNDCCMWRY-UHFFFAOYSA-N -1 0 405.476 2.541 50 0 HFAARM COCC(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000006623465 569075127 /nfs/dbraw/zinc/07/51/27/569075127.db2.gz ALUIQQBNJTYZSC-UHFFFAOYSA-N -1 0 419.503 2.681 50 0 HFAARM O=C([O-])Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc1 ZINC000064775551 569093452 /nfs/dbraw/zinc/09/34/52/569093452.db2.gz FVABGAHXOAFKLB-CYBMUJFWSA-N -1 0 406.394 2.760 50 0 HFAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)c(C)n1C ZINC000064923257 569122583 /nfs/dbraw/zinc/12/25/83/569122583.db2.gz WSUHOJLQLTXHIR-UHFFFAOYSA-N -1 0 416.883 2.982 50 0 HFAARM COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC000036354190 569147903 /nfs/dbraw/zinc/14/79/03/569147903.db2.gz YLECTFPRYYNHAJ-JOCHJYFZSA-N -1 0 423.469 2.682 50 0 HFAARM COC(=O)c1cc(OC)c(OC)c(OC)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007109320 569221405 /nfs/dbraw/zinc/22/14/05/569221405.db2.gz IZPXZHOKVNVIPZ-UHFFFAOYSA-N -1 0 421.471 2.789 50 0 HFAARM COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000007141022 569225514 /nfs/dbraw/zinc/22/55/14/569225514.db2.gz GWDDWALVWGWSQD-UHFFFAOYSA-N -1 0 410.517 2.671 50 0 HFAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000007363362 569235480 /nfs/dbraw/zinc/23/54/80/569235480.db2.gz AVHNSDRIWGMATA-UHFFFAOYSA-N -1 0 405.379 2.764 50 0 HFAARM CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccc(F)c(F)c2)c1 ZINC000170595721 569241680 /nfs/dbraw/zinc/24/16/80/569241680.db2.gz GYMFCZSFNISMRM-MRXNPFEDSA-N -1 0 415.400 2.953 50 0 HFAARM COc1cc(OC)c(C=NN=C2NC(=O)[C@@H](CC(=O)[O-])S2)cc1Br ZINC000254398799 569254686 /nfs/dbraw/zinc/25/46/86/569254686.db2.gz QMDSPBQCRSRRAN-LLVKDONJSA-N -1 0 416.253 2.703 50 0 HFAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002122423 569285730 /nfs/dbraw/zinc/28/57/30/569285730.db2.gz TYMNXNMDXSAZKL-HNNXBMFYSA-N -1 0 403.456 2.939 50 0 biogenic HFAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000002152288 569290167 /nfs/dbraw/zinc/29/01/67/569290167.db2.gz NMFVSVXUFAFWOZ-UHFFFAOYSA-N -1 0 407.422 2.686 50 0 biogenic HFAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002340672 569376259 /nfs/dbraw/zinc/37/62/59/569376259.db2.gz PXDNZXJCWXPZOJ-UHFFFAOYSA-N -1 0 408.407 2.912 50 0 HFAARM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1noc(C)n1 ZINC000078808828 569420592 /nfs/dbraw/zinc/42/05/92/569420592.db2.gz UVZYUIJXTKQCQO-INIZCTEOSA-N -1 0 413.377 2.872 50 0 HFAARM Nc1ncc(Br)cc1S(=O)(=O)[N-]c1ccc(Oc2ncccn2)cc1 ZINC000079108039 569427801 /nfs/dbraw/zinc/42/78/01/569427801.db2.gz JJBFRPUGAJTWKW-UHFFFAOYSA-N -1 0 422.264 2.809 50 0 HFAARM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2)C1 ZINC000008723793 571107397 /nfs/dbraw/zinc/10/73/97/571107397.db2.gz FELBXJLAPXHBIF-HNNXBMFYSA-N -1 0 408.520 2.625 50 0 HFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000008790838 571119721 /nfs/dbraw/zinc/11/97/21/571119721.db2.gz RKDKEAOOWFFDMO-LQWHRVPQSA-N -1 0 421.478 2.550 50 0 biogenic HFAARM O=C([O-])CCc1nn2c3ccccc3n(CCOc3ccccc3Cl)c2nc1=O ZINC000009668624 571278378 /nfs/dbraw/zinc/27/83/78/571278378.db2.gz IDYNDECEXGBZJI-UHFFFAOYSA-N -1 0 412.833 2.794 50 0 HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)n1C ZINC000009685221 571279832 /nfs/dbraw/zinc/27/98/32/571279832.db2.gz GVGFQRLYTYSQGO-UHFFFAOYSA-N -1 0 405.520 2.532 50 0 HFAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000009794094 571285608 /nfs/dbraw/zinc/28/56/08/571285608.db2.gz UEDKKQKVTHTVOT-UHFFFAOYSA-N -1 0 421.478 2.912 50 0 HFAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000009837468 571287962 /nfs/dbraw/zinc/28/79/62/571287962.db2.gz ZAEFKBAALWCNRM-RTBURBONSA-N -1 0 422.441 2.592 50 0 HFAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000010265668 571298788 /nfs/dbraw/zinc/29/87/88/571298788.db2.gz MENDBNJJTIJPFE-SECBINFHSA-N -1 0 416.377 2.659 50 0 HFAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCCC1 ZINC000071802771 571301634 /nfs/dbraw/zinc/30/16/34/571301634.db2.gz DKWRSIAKMMQNLV-LBPRGKRZSA-N -1 0 409.280 2.706 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000004270489 132274209 /nfs/dbraw/zinc/27/42/09/132274209.db2.gz TYFBXRZIZUHSSM-UHFFFAOYSA-N -1 0 402.472 2.730 50 0 HFAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000006270502 132310049 /nfs/dbraw/zinc/31/00/49/132310049.db2.gz PZVBAWCLPLQTKA-UHFFFAOYSA-N -1 0 404.879 2.921 50 0 HFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)Nc3ccc(OC)cc3OC)C2=O)cc1 ZINC000009089682 132335712 /nfs/dbraw/zinc/33/57/12/132335712.db2.gz ZFSUTFJWRBJVTC-PDGQHHTCSA-N -1 0 411.414 2.681 50 0 HFAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc21 ZINC000012180499 132355831 /nfs/dbraw/zinc/35/58/31/132355831.db2.gz YGCGJQYNJSIBMT-UHFFFAOYSA-N -1 0 400.547 2.960 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000000678977 519679246 /nfs/dbraw/zinc/67/92/46/519679246.db2.gz JOSMOLAITDLVKX-UHFFFAOYSA-N -1 0 419.528 2.762 50 0 HFAARM COc1cc(/C=c2\sc3nc4c(ccc(C)c4C)n3c2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000033145597 522012934 /nfs/dbraw/zinc/01/29/34/522012934.db2.gz XBXOWPHMGVKOCQ-VQIMKDEXSA-N -1 0 424.478 2.934 50 0 HFAARM COC(=O)c1sc(S(=O)(=O)[N-]c2cc(F)ccc2C)c(C(=O)OC)c1C ZINC000006846463 522429632 /nfs/dbraw/zinc/42/96/32/522429632.db2.gz FJNHIWBWQQUSEU-UHFFFAOYSA-N -1 0 401.437 2.878 50 0 HFAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(C)(=O)=O)C[C@H]2C)c1 ZINC000032971164 524560755 /nfs/dbraw/zinc/56/07/55/524560755.db2.gz QCCLSJLSUNURSC-OAHLLOKOSA-N -1 0 403.504 2.780 50 0 HFAARM CCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1 ZINC000004869572 534932392 /nfs/dbraw/zinc/93/23/92/534932392.db2.gz NSEAVJDXJMSDJK-UHFFFAOYSA-N -1 0 403.454 2.698 50 0 HFAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000794202 557082448 /nfs/dbraw/zinc/08/24/48/557082448.db2.gz ATQIMNBARIFWDI-ROUUACIJSA-N -1 0 408.520 2.937 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000001126238 557195501 /nfs/dbraw/zinc/19/55/01/557195501.db2.gz UKJOVAWICLUMQN-UHFFFAOYSA-N -1 0 404.488 2.826 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000001158276 557215916 /nfs/dbraw/zinc/21/59/16/557215916.db2.gz JYGIRNNTSYDSCV-MRXNPFEDSA-N -1 0 404.488 2.795 50 0 HFAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ncccn3)cc2)c1C ZINC000002504180 557353364 /nfs/dbraw/zinc/35/33/64/557353364.db2.gz ITWOKBFSQVWDTA-UHFFFAOYSA-N -1 0 419.488 2.613 50 0 HFAARM CCOc1cccc(-c2nnc(CCC(=O)NCCc3ccc(OC)cc3)c(=O)[n-]2)c1 ZINC000034764823 557461706 /nfs/dbraw/zinc/46/17/06/557461706.db2.gz JXFPRZXCGBIADR-UHFFFAOYSA-N -1 0 422.485 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2.852 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C(=O)OC)ccc4OC)c=3c2=O)cc1 ZINC000101418408 560794845 /nfs/dbraw/zinc/79/48/45/560794845.db2.gz UXEYPMZMRIGTPL-RBUKOAKNSA-N -1 0 422.441 2.538 50 0 HFAARM Cc1cccc(C)c1N1C(=O)C[C@H](N2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000101490828 560795984 /nfs/dbraw/zinc/79/59/84/560795984.db2.gz IZPRYUVHNFQSTD-IBGZPJMESA-N -1 0 421.497 2.992 50 0 HFAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCc4cccc(OC)c4)c3=O)c2c1 ZINC000101497659 560796430 /nfs/dbraw/zinc/79/64/30/560796430.db2.gz ZNQNBYIMZPXISK-UHFFFAOYSA-N -1 0 424.482 2.874 50 0 HFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)n(C)c1=O ZINC000101766408 560799827 /nfs/dbraw/zinc/79/98/27/560799827.db2.gz PYXAFDHQSQJYNH-QGZVFWFLSA-N -1 0 409.467 2.853 50 0 HFAARM COc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)c(OC)c1 ZINC000101802791 560802106 /nfs/dbraw/zinc/80/21/06/560802106.db2.gz BDOOCXDFHCHFJR-UHFFFAOYSA-N -1 0 405.458 2.946 50 0 HFAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1F ZINC000013362429 560806051 /nfs/dbraw/zinc/80/60/51/560806051.db2.gz ZNKXSMPEIAADPO-UHFFFAOYSA-N -1 0 421.187 2.929 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccccc1 ZINC000102000800 560807069 /nfs/dbraw/zinc/80/70/69/560807069.db2.gz ZPXKNIORQOXHPT-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000102288424 560809644 /nfs/dbraw/zinc/80/96/44/560809644.db2.gz OZGCFEZHQXYZAK-HDICACEKSA-N -1 0 413.499 2.866 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000102906907 560835160 /nfs/dbraw/zinc/83/51/60/560835160.db2.gz NYXBSIPOMFZYPP-WOJBJXKFSA-N -1 0 405.458 2.798 50 0 HFAARM Cc1ccc2c(ncc(C(=O)N3CCOCC3)c2Nc2ccc(CC(=O)[O-])cc2)n1 ZINC000049004849 568444274 /nfs/dbraw/zinc/44/42/74/568444274.db2.gz JGLHZISSYYYNRW-UHFFFAOYSA-N -1 0 406.442 2.781 50 0 HFAARM Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)c2)no1 ZINC000000645323 568457173 /nfs/dbraw/zinc/45/71/73/568457173.db2.gz AMAKDQNDNCQEJM-UHFFFAOYSA-N -1 0 401.400 2.734 50 0 HFAARM O=C([O-])CC[C@@]1(CCC(=O)N2CCC(Cc3ccccc3F)CC2)CCC(=O)N1 ZINC000223755233 568558053 /nfs/dbraw/zinc/55/80/53/568558053.db2.gz YDGBDTCOUMXAOR-QFIPXVFZSA-N -1 0 404.482 2.901 50 0 HFAARM CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000095463971 568622348 /nfs/dbraw/zinc/62/23/48/568622348.db2.gz KULMUWHTCNBFDE-UHFFFAOYSA-N -1 0 420.487 2.869 50 0 HFAARM CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000095468992 568625335 /nfs/dbraw/zinc/62/53/35/568625335.db2.gz KRCKVZWNGHUPME-UHFFFAOYSA-N -1 0 407.392 2.819 50 0 HFAARM O=C1O[C@H](c2c([O-])[nH]c(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)c2ccccc21 ZINC000095483428 568634913 /nfs/dbraw/zinc/63/49/13/568634913.db2.gz XQUGQHXYPVLXFB-AWEZNQCLSA-N -1 0 404.300 2.510 50 0 HFAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1O ZINC000225616703 568657348 /nfs/dbraw/zinc/65/73/48/568657348.db2.gz DOEFYCBZTRGKQH-LBPRGKRZSA-N -1 0 418.471 2.586 50 0 HFAARM COc1cc(CC(=O)N2CCC(n3cccc3C(=O)[O-])CC2)cc(OC)c1OC ZINC000095970566 568671563 /nfs/dbraw/zinc/67/15/63/568671563.db2.gz YVKCDKBOVUVXGQ-UHFFFAOYSA-N -1 0 402.447 2.618 50 0 HFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC(=O)Nc1ccccc1F)CC2 ZINC000021642917 568727794 /nfs/dbraw/zinc/72/77/94/568727794.db2.gz CIROPKWNAMTABH-KRWDZBQOSA-N -1 0 402.422 2.856 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000096458331 568754024 /nfs/dbraw/zinc/75/40/24/568754024.db2.gz PQHPVCVJHBDHRR-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1C ZINC000096458328 568754076 /nfs/dbraw/zinc/75/40/76/568754076.db2.gz AKAJWZOCIGSRHT-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000000949252 568755430 /nfs/dbraw/zinc/75/54/30/568755430.db2.gz LMIRYDWPAHCEER-UHFFFAOYSA-N -1 0 402.407 2.677 50 0 HFAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(CC)CC2)cc1 ZINC000022468476 568768373 /nfs/dbraw/zinc/76/83/73/568768373.db2.gz AIQPVKIOTAQADZ-QGZVFWFLSA-N -1 0 401.536 2.930 50 0 HFAARM CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000028255471 568783541 /nfs/dbraw/zinc/78/35/41/568783541.db2.gz XEMAMAHOYQVIFO-UHFFFAOYSA-N -1 0 406.485 2.597 50 0 HFAARM CCn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NCCc2ccccc2)n1 ZINC000002809475 568812030 /nfs/dbraw/zinc/81/20/30/568812030.db2.gz QCDRBAMZTJTLKX-IAGOWNOFSA-N -1 0 412.490 2.705 50 0 HFAARM Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCCC(=O)[O-])cc1 ZINC000002928500 568817939 /nfs/dbraw/zinc/81/79/39/568817939.db2.gz DRILYPOLBNYXNU-UHFFFAOYSA-N -1 0 416.499 2.618 50 0 HFAARM O=C(C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCCc1ccc(Cl)cc1 ZINC000002966930 568831154 /nfs/dbraw/zinc/83/11/54/568831154.db2.gz HIPLIXVOZARFLP-MRXNPFEDSA-N -1 0 412.902 2.757 50 0 HFAARM CCOC(=O)c1cn[n-]c1S(=O)(=O)Oc1ccc(C2SCCS2)cc1 ZINC000012556578 568855794 /nfs/dbraw/zinc/85/57/94/568855794.db2.gz LFGDJSKWNYCICU-UHFFFAOYSA-N -1 0 400.503 2.833 50 0 HFAARM CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004085288 568940093 /nfs/dbraw/zinc/94/00/93/568940093.db2.gz HQXVTDCBDLRLTQ-SQGPQFPESA-N -1 0 410.495 2.847 50 0 biogenic HFAARM CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1nc(-c2ccco2)no1 ZINC000012824920 569008981 /nfs/dbraw/zinc/00/89/81/569008981.db2.gz KLYKBHZMTCRUNT-UHFFFAOYSA-N -1 0 413.459 2.999 50 0 HFAARM CC(=O)Nc1ccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000015861991 569015725 /nfs/dbraw/zinc/01/57/25/569015725.db2.gz RIBLQOGKIAMCQY-UHFFFAOYSA-N -1 0 404.473 2.879 50 0 HFAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)N1CCCCCC1 ZINC000012950359 569029500 /nfs/dbraw/zinc/02/95/00/569029500.db2.gz ZFKRNWBAYZFWTQ-UHFFFAOYSA-N -1 0 402.476 2.510 50 0 HFAARM Cc1ccc(CCNC(=O)CC[C@@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)cc1 ZINC000006204432 569032814 /nfs/dbraw/zinc/03/28/14/569032814.db2.gz GAXHSYCXCLFYMW-SFHVURJKSA-N -1 0 406.511 2.802 50 0 HFAARM CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCCC(=O)[O-])c12)OC(C)(C)CC3 ZINC000006623954 569075396 /nfs/dbraw/zinc/07/53/96/569075396.db2.gz PIMSAVYPZIAKSA-UHFFFAOYSA-N -1 0 417.458 2.819 50 0 biogenic HFAARM COc1cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)n(C)c2C)cc(OC)c1 ZINC000064922196 569122237 /nfs/dbraw/zinc/12/22/37/569122237.db2.gz LZMOCZZALLVJQN-UHFFFAOYSA-N -1 0 421.519 2.778 50 0 HFAARM O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000064988009 569145519 /nfs/dbraw/zinc/14/55/19/569145519.db2.gz SQRYWNHWIPUXDJ-UHFFFAOYSA-N -1 0 407.835 2.810 50 0 HFAARM Cc1ccc2c(c1)occ(/C=N/NC(=O)CCC(=O)Nc1ccc(C(=O)[O-])cc1)c2=O ZINC000001881802 569148351 /nfs/dbraw/zinc/14/83/51/569148351.db2.gz JIMMLJDXSPIHHL-FOKLQQMPSA-N -1 0 421.409 2.669 50 0 HFAARM O=C(Nc1ccccc1)c1nnc(C[N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000064991713 569149060 /nfs/dbraw/zinc/14/90/60/569149060.db2.gz NUWRFZFZOKANIF-UHFFFAOYSA-N -1 0 410.427 2.547 50 0 HFAARM O=C(Nc1ccc2c(c1)OCO2)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-] ZINC000065249948 569205894 /nfs/dbraw/zinc/20/58/94/569205894.db2.gz WDNUVDMHVLQQRU-UHFFFAOYSA-N -1 0 408.345 2.540 50 0 HFAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2cccc(OC(F)F)c2)cc2c(=O)[nH]nc1-2 ZINC000524733041 569212783 /nfs/dbraw/zinc/21/27/83/569212783.db2.gz NXMQDKCMHZZNQH-ZDUSSCGKSA-N -1 0 407.329 2.541 50 0 HFAARM COc1cc(S(=O)(=O)Nc2ccccc2[C@H](O)C(C)C)cc(C(=O)[O-])c1OC ZINC000089801807 569266242 /nfs/dbraw/zinc/26/62/42/569266242.db2.gz GOMKSUFAJKEYAB-QGZVFWFLSA-N -1 0 409.460 2.892 50 0 HFAARM CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000017056848 569272648 /nfs/dbraw/zinc/27/26/48/569272648.db2.gz FAUIDMFIOTWXTC-JLJPHGGASA-N -1 0 418.494 2.833 50 0 HFAARM O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002099247 569281116 /nfs/dbraw/zinc/28/11/16/569281116.db2.gz FJKYEEIXZIAAOS-NRFANRHFSA-N -1 0 407.422 2.993 50 0 biogenic HFAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12 ZINC000002104000 569282026 /nfs/dbraw/zinc/28/20/26/569282026.db2.gz DFTXDUVOVZLMJZ-MRXNPFEDSA-N -1 0 401.802 2.507 50 0 biogenic HFAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007709049 569301673 /nfs/dbraw/zinc/30/16/73/569301673.db2.gz ZJOKTZGXOVBEQI-UHFFFAOYSA-N -1 0 403.460 2.581 50 0 HFAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000066200322 569321540 /nfs/dbraw/zinc/32/15/40/569321540.db2.gz VCVPCEJWSPGORZ-UHFFFAOYSA-N -1 0 402.407 2.677 50 0 HFAARM [O-]c1c([C@@H](c2ccc(Br)s2)N2CCOCC2)sc2ncnn12 ZINC000252485552 569387518 /nfs/dbraw/zinc/38/75/18/569387518.db2.gz GYPUPAVUNLXRJZ-SNVBAGLBSA-N -1 0 401.311 2.742 50 0 HFAARM Cc1[n-]n2c(nc(SCC(=O)NCc3ccc(F)cc3)nc2=O)c1-c1ccccc1 ZINC000009107515 571221825 /nfs/dbraw/zinc/22/18/25/571221825.db2.gz QDAPSXILZNHYGN-UHFFFAOYSA-N -1 0 423.473 2.941 50 0 HFAARM CN1OC[C@H](S(=O)(=O)NC[C@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000245330006 571225506 /nfs/dbraw/zinc/22/55/06/571225506.db2.gz WMVPPUYIGHGOGE-QHAWAJNXSA-N -1 0 418.515 2.864 50 0 HFAARM COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccc(OC)cc2)cc1 ZINC000009183579 571234502 /nfs/dbraw/zinc/23/45/02/571234502.db2.gz UWWPYPDHPQZMOJ-UHFFFAOYSA-N -1 0 413.455 2.686 50 0 HFAARM CCCCc1c([O-])nc(SCC(=O)N2CCOCC2)n(-c2ccccc2C)c1=O ZINC000009339723 571249732 /nfs/dbraw/zinc/24/97/32/571249732.db2.gz BPUQWGHYHPHDPL-UHFFFAOYSA-N -1 0 417.531 2.540 50 0 HFAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CCCC1 ZINC000009562868 571268486 /nfs/dbraw/zinc/26/84/86/571268486.db2.gz BQVUWLKEXOKAOG-UHFFFAOYSA-N -1 0 424.425 2.545 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)c(OC)cc1Cl ZINC000009605556 571273175 /nfs/dbraw/zinc/27/31/75/571273175.db2.gz USYFHKYRGPKFLH-UHFFFAOYSA-N -1 0 415.880 2.536 50 0 HFAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(C)on3)c2)on1 ZINC000009637829 571275308 /nfs/dbraw/zinc/27/53/08/571275308.db2.gz WUWRTLYPUBCDRM-UHFFFAOYSA-N -1 0 407.404 2.624 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)cc1OC ZINC000009684640 571279611 /nfs/dbraw/zinc/27/96/11/571279611.db2.gz HWRXVMCJSSSGOU-UHFFFAOYSA-N -1 0 421.519 2.696 50 0 HFAARM O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009963729 571293034 /nfs/dbraw/zinc/29/30/34/571293034.db2.gz BETCJSXMULWSSI-KRWDZBQOSA-N -1 0 424.438 2.518 50 0 HFAARM COc1cc(/C=C/C(=O)[O-])c(S(=O)(=O)N2CCCc3ccccc32)cc1OC ZINC000004292097 132274185 /nfs/dbraw/zinc/27/41/85/132274185.db2.gz NOVBSZGMFVPOGA-MDZDMXLPSA-N -1 0 403.456 2.943 50 0 HFAARM CC(C)c1c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cnn1-c1ccccn1 ZINC000032912206 519830634 /nfs/dbraw/zinc/83/06/34/519830634.db2.gz QCEHYRKKTARDLQ-UHFFFAOYSA-N -1 0 408.487 2.961 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3)[nH]n2)cc1 ZINC000032950943 521131210 /nfs/dbraw/zinc/13/12/10/521131210.db2.gz FOIRXPZRZIHWPS-UHFFFAOYSA-N -1 0 416.459 2.870 50 0 HFAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCOCC2)c(C)c1 ZINC000032971208 524325603 /nfs/dbraw/zinc/32/56/03/524325603.db2.gz KBGIDNIOTJFTBZ-UHFFFAOYSA-N -1 0 404.488 2.947 50 0 HFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3F)cc2)C1 ZINC000032083077 527658222 /nfs/dbraw/zinc/65/82/22/527658222.db2.gz OUEXACLSNCISAG-SNVBAGLBSA-N -1 0 412.826 2.717 50 0 HFAARM O=S(=O)([N-]c1ncccn1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000917267 557117920 /nfs/dbraw/zinc/11/79/20/557117920.db2.gz NKJNIWOVEMHVKQ-UHFFFAOYSA-N -1 0 424.891 2.732 50 0 HFAARM CC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)cc1 ZINC000001062759 557164734 /nfs/dbraw/zinc/16/47/34/557164734.db2.gz UYPFIRBNMLJXMV-UHFFFAOYSA-N -1 0 409.467 3.000 50 0 HFAARM C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000001575987 557273441 /nfs/dbraw/zinc/27/34/41/557273441.db2.gz OEANOUHCLXZBNG-KUHUBIRLSA-N -1 0 409.442 2.595 50 0 HFAARM COc1cc(S(=O)(=O)N2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002818602 557395459 /nfs/dbraw/zinc/39/54/59/557395459.db2.gz FVARTNPUHKAISE-UHFFFAOYSA-N -1 0 424.544 2.979 50 0 HFAARM O=C([O-])CCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br ZINC000002902280 557424890 /nfs/dbraw/zinc/42/48/90/557424890.db2.gz LOXCFRCPKBNKDX-RVDMUPIBSA-N -1 0 421.247 2.794 50 0 HFAARM COc1ccc(-c2nnc(CCC(=O)NCCc3cccs3)c(=O)[n-]2)cc1OC ZINC000034766129 557462126 /nfs/dbraw/zinc/46/21/26/557462126.db2.gz TYMLXGMKFJQICO-UHFFFAOYSA-N -1 0 414.487 2.614 50 0 HFAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O ZINC000003781943 557498542 /nfs/dbraw/zinc/49/85/42/557498542.db2.gz XPCFTKFZXHTYIP-PMACEKPBSA-N -1 0 424.497 2.573 50 0 fda HFAARM COc1cc(OC)nc(O[C@H](C(=O)[O-])C(OC)(c2ccccc2)c2ccccc2)n1 ZINC000003826221 557499111 /nfs/dbraw/zinc/49/91/11/557499111.db2.gz FEJVSJIALLTFRP-LJQANCHMSA-N -1 0 410.426 2.916 50 0 investigational HFAARM COc1ccc(CCN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)[O-])cc1OC ZINC000006645720 557711825 /nfs/dbraw/zinc/71/18/25/557711825.db2.gz SKDRDVSMHLYULD-MRXNPFEDSA-N -1 0 414.483 2.723 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(Cl)cccc3Cl)c(=O)c1=2)Nc1ccccc1 ZINC000002785919 557758973 /nfs/dbraw/zinc/75/89/73/557758973.db2.gz BMPWVECBLLYNGA-HOCLYGCPSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2cccc(Cl)c2)n1 ZINC000002804398 557763355 /nfs/dbraw/zinc/76/33/55/557763355.db2.gz KMMYVWFHTNQHSF-UHFFFAOYSA-N -1 0 416.841 2.989 50 0 HFAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000022853833 557840516 /nfs/dbraw/zinc/84/05/16/557840516.db2.gz HCWXFBWCGNIFMA-OAHLLOKOSA-N -1 0 421.473 2.624 50 0 HFAARM COC(=O)c1c(C)c(C)sc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019878624 558300176 /nfs/dbraw/zinc/30/01/76/558300176.db2.gz GIDXZXAABGJBOC-LLVKDONJSA-N -1 0 420.468 2.669 50 0 HFAARM CCCCN(C(=O)CCC(=O)[O-])[C@@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000020134735 558337420 /nfs/dbraw/zinc/33/74/20/558337420.db2.gz VTGQUKBFPBTRLH-QGZVFWFLSA-N -1 0 404.463 2.601 50 0 HFAARM [O-]C(c1cccs1)=C1[C@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000004387912 558488172 /nfs/dbraw/zinc/48/81/72/558488172.db2.gz JFYMLPYODLEHIC-SLEUVZQESA-N -1 0 402.419 2.723 50 0 HFAARM CCCCN1C(=O)[N-]C(=O)/C(=C2\C[C@H](c3ccc(C(C)C)cc3)N(C(C)=O)N2)C1=O ZINC000013570500 558542006 /nfs/dbraw/zinc/54/20/06/558542006.db2.gz VGHCBBKULHSCEA-LYHOESIGSA-N -1 0 412.490 2.741 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ncc(C)s3)cs2)cc1 ZINC000013731434 558586780 /nfs/dbraw/zinc/58/67/80/558586780.db2.gz GOEBEIBNNQOONG-UHFFFAOYSA-N -1 0 424.529 2.899 50 0 HFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000004483328 558602932 /nfs/dbraw/zinc/60/29/32/558602932.db2.gz WBKXRSYEGILONU-WOJBJXKFSA-N -1 0 421.457 2.634 50 0 HFAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000004483905 558603073 /nfs/dbraw/zinc/60/30/73/558603073.db2.gz VZTSNZSOOGQFLL-SJORKVTESA-N -1 0 400.822 2.851 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000004483990 558603265 /nfs/dbraw/zinc/60/32/65/558603265.db2.gz MPQIOQFGKWPURS-QZTJIDSGSA-N -1 0 413.384 2.514 50 0 HFAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1cccc(OC)c1OC)N(C)C2=O ZINC000004563427 558733023 /nfs/dbraw/zinc/73/30/23/558733023.db2.gz KKWULAXBLFUDOA-QZTJIDSGSA-N -1 0 401.415 2.716 50 0 HFAARM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCC)s2)n1 ZINC000016753776 558805340 /nfs/dbraw/zinc/80/53/40/558805340.db2.gz NXODDZBUFVQUHB-UHFFFAOYSA-N -1 0 407.930 2.530 50 0 HFAARM COC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000017082649 558814762 /nfs/dbraw/zinc/81/47/62/558814762.db2.gz CHJDTDZDRVWYCF-CYBMUJFWSA-N -1 0 403.456 2.847 50 0 HFAARM CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017088031 558816894 /nfs/dbraw/zinc/81/68/94/558816894.db2.gz HQYILQMNTJOLHX-LBPRGKRZSA-N -1 0 408.520 2.975 50 0 HFAARM O=C([O-])c1cccc(-c2ccc(C(=O)N3CCCN(c4ncccn4)CC3)cn2)c1 ZINC000067965277 558862210 /nfs/dbraw/zinc/86/22/10/558862210.db2.gz VWTZIYJVHQRVRV-UHFFFAOYSA-N -1 0 403.442 2.589 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)no1 ZINC000033255752 558923522 /nfs/dbraw/zinc/92/35/22/558923522.db2.gz DQIDRXCIXVVXDL-HOTGVXAUSA-N -1 0 417.487 2.767 50 0 HFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccccc2)CC4)cc1 ZINC000097942111 558947858 /nfs/dbraw/zinc/94/78/58/558947858.db2.gz BTMVMVAMZPUHMB-UHFFFAOYSA-N -1 0 400.438 2.897 50 0 HFAARM COC(=O)c1ccccc1NC(=O)C[C@]1(C(=O)[O-])CC(c2ccc(F)cc2)=NO1 ZINC000072404715 558979388 /nfs/dbraw/zinc/97/93/88/558979388.db2.gz LMFNTSXIYIDUHA-FQEVSTJZSA-N -1 0 400.362 2.589 50 0 HFAARM C[C@H](NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)c1n[nH]c(=O)[n-]1 ZINC000067817895 558993399 /nfs/dbraw/zinc/99/33/99/558993399.db2.gz NKYPDBWGQPAWJB-QMMMGPOBSA-N -1 0 422.392 2.984 50 0 HFAARM CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000095378960 559080542 /nfs/dbraw/zinc/08/05/42/559080542.db2.gz HLDDKPIAIRSQOJ-UHFFFAOYSA-N -1 0 401.850 2.937 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4)c=3c2=O)cc1Cl ZINC000100036750 559129106 /nfs/dbraw/zinc/12/91/06/559129106.db2.gz CJDOBEKZPUNZQL-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM CCCn1c(=O)c(C(=O)Nc2c(=O)[nH]c3ccccc3c2O)c([O-])c2ccccc21 ZINC000100706517 559138123 /nfs/dbraw/zinc/13/81/23/559138123.db2.gz KKXWNFUFCSDNLJ-UHFFFAOYSA-N -1 0 405.410 2.917 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000004863141 559193344 /nfs/dbraw/zinc/19/33/44/559193344.db2.gz QAYQGXRPYWXCPN-FUHWJXTLSA-N -1 0 411.845 2.946 50 0 HFAARM COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205976419 559198182 /nfs/dbraw/zinc/19/81/82/559198182.db2.gz CSUPJEQBEWIFDD-ZDUSSCGKSA-N -1 0 410.817 2.692 50 0 HFAARM CCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(CC)c1=O ZINC000100551406 559225529 /nfs/dbraw/zinc/22/55/29/559225529.db2.gz KGZDJFLGRHXFIJ-UHFFFAOYSA-N -1 0 418.453 2.773 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100563713 559227773 /nfs/dbraw/zinc/22/77/73/559227773.db2.gz XEXSJZFJPPFKHL-FUHWJXTLSA-N -1 0 411.845 2.946 50 0 HFAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005149507 559253302 /nfs/dbraw/zinc/25/33/02/559253302.db2.gz RJJYGIJYNCRJQU-FUHWJXTLSA-N -1 0 411.845 2.864 50 0 HFAARM CC[C@@H](C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000011866832 559264360 /nfs/dbraw/zinc/26/43/60/559264360.db2.gz BFGSOHGJARDVHZ-BLVKFPJESA-N -1 0 401.459 2.975 50 0 HFAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-] ZINC000238900772 559271543 /nfs/dbraw/zinc/27/15/43/559271543.db2.gz JVACKGHJWHDABG-ADAWSYLGSA-N -1 0 415.490 2.524 50 0 HFAARM NC(=O)c1ccsc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005184568 559290450 /nfs/dbraw/zinc/29/04/50/559290450.db2.gz XYZZNIFDIGEXBF-UHFFFAOYSA-N -1 0 401.469 2.900 50 0 HFAARM Cc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc([N-]S(=O)(=O)N(C)C)nn32)cc1 ZINC000005574059 560623333 /nfs/dbraw/zinc/62/33/33/560623333.db2.gz FHIMTFZKQYZSNY-MSOLQXFVSA-N -1 0 412.519 2.951 50 0 HFAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000100890798 560762084 /nfs/dbraw/zinc/76/20/84/560762084.db2.gz RJWXASRMJCXCFM-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM COc1cc(CNC(C)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1 ZINC000101038291 560767069 /nfs/dbraw/zinc/76/70/69/560767069.db2.gz PLDQMACRNSXFRT-RGEXLXHISA-N -1 0 409.442 2.659 50 0 HFAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101096760 560785507 /nfs/dbraw/zinc/78/55/07/560785507.db2.gz RJJYGIJYNCRJQU-AEFFLSMTSA-N -1 0 411.845 2.864 50 0 HFAARM COc1ccc(N2N=C(C(C)=O)C3=C([O-])N(c4cccc(Cl)c4C)C(=O)[C@@H]32)cc1 ZINC000101116562 560786918 /nfs/dbraw/zinc/78/69/18/560786918.db2.gz NBMUROVNAAZXJE-PKOBYXMFSA-N -1 0 411.845 2.980 50 0 HFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000101166291 560787398 /nfs/dbraw/zinc/78/73/98/560787398.db2.gz WBKXRSYEGILONU-VQTJNVASSA-N -1 0 421.457 2.634 50 0 HFAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101168598 560787517 /nfs/dbraw/zinc/78/75/17/560787517.db2.gz VZTSNZSOOGQFLL-IAGOWNOFSA-N -1 0 400.822 2.851 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1C ZINC000101169430 560787751 /nfs/dbraw/zinc/78/77/51/560787751.db2.gz PHLMTIOMOUVWTO-VQTJNVASSA-N -1 0 405.458 2.852 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000101416614 560794668 /nfs/dbraw/zinc/79/46/68/560794668.db2.gz XDCRQLUPFUEASZ-MSOLQXFVSA-N -1 0 411.849 2.834 50 0 HFAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101417933 560794791 /nfs/dbraw/zinc/79/47/91/560794791.db2.gz AKKIVPCMIVQWAP-MSOLQXFVSA-N -1 0 414.849 2.893 50 0 HFAARM Cc1ccccc1N1C(=O)C[C@@H](N2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000101490851 560795904 /nfs/dbraw/zinc/79/59/04/560795904.db2.gz IADVJRDSYQSAAH-LJQANCHMSA-N -1 0 407.470 2.683 50 0 HFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)n1 ZINC000101893607 560804560 /nfs/dbraw/zinc/80/45/60/560804560.db2.gz PWDGKLFNASUVCV-SJORKVTESA-N -1 0 406.377 2.678 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1F ZINC000101893366 560804589 /nfs/dbraw/zinc/80/45/89/560804589.db2.gz IFRVEADKIJKMGM-IRXDYDNUSA-N -1 0 406.377 2.678 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)no1 ZINC000102289355 560809679 /nfs/dbraw/zinc/80/96/79/560809679.db2.gz DQIDRXCIXVVXDL-IYBDPMFKSA-N -1 0 417.487 2.767 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc4ccccc43)c(=O)c1=2)Nc1cccc(F)c1 ZINC000102926278 560834382 /nfs/dbraw/zinc/83/43/82/560834382.db2.gz WNZUJUXVBMROAU-VQTJNVASSA-N -1 0 417.400 2.911 50 0 HFAARM O=C(Nc1cccc(I)c1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000103439540 560842331 /nfs/dbraw/zinc/84/23/31/560842331.db2.gz MNCXONPDCPWEIH-CYBMUJFWSA-N -1 0 406.179 2.535 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1C ZINC000101169493 560851227 /nfs/dbraw/zinc/85/12/27/560851227.db2.gz BGBWRPVNSXVJLJ-ZWKOTPCHSA-N -1 0 413.384 2.514 50 0 HFAARM CN1OC[C@H](S(=O)(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000105025002 560860253 /nfs/dbraw/zinc/86/02/53/560860253.db2.gz WMVPPUYIGHGOGE-ACRUOGEOSA-N -1 0 418.515 2.864 50 0 HFAARM O=C(c1nnc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c[nH]2)o1)N1CCCC1 ZINC000085808537 560897304 /nfs/dbraw/zinc/89/73/04/560897304.db2.gz XYDHZBYHZGGJLG-UHFFFAOYSA-N -1 0 421.866 2.755 50 0 HFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 ZINC000049030402 568445765 /nfs/dbraw/zinc/44/57/65/568445765.db2.gz YFISFKKNRIERLP-OAHLLOKOSA-N -1 0 405.476 2.869 50 0 HFAARM COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)c1 ZINC000095464125 568622287 /nfs/dbraw/zinc/62/22/87/568622287.db2.gz LOIXSKITIBGQFR-LBPRGKRZSA-N -1 0 400.387 2.940 50 0 HFAARM Cc1ccc(-c2ncc(C(=O)N(C)CC(=O)N3CCC[C@H](C(=O)[O-])C3)s2)c(C)c1 ZINC000095464489 568622610 /nfs/dbraw/zinc/62/26/10/568622610.db2.gz RHDQSYQLIZOPRX-HNNXBMFYSA-N -1 0 415.515 2.822 50 0 HFAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccc(Br)cc32)cc1 ZINC000225520432 568646422 /nfs/dbraw/zinc/64/64/22/568646422.db2.gz CDVCGQLWGKMSPP-HNNXBMFYSA-N -1 0 424.272 2.633 50 0 HFAARM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000225525110 568647076 /nfs/dbraw/zinc/64/70/76/568647076.db2.gz ASGJDFSOIJVHSD-ZDUSSCGKSA-N -1 0 414.439 2.630 50 0 HFAARM CCOc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000095989810 568677841 /nfs/dbraw/zinc/67/78/41/568677841.db2.gz UWDGUCGSLRCIFZ-MRXNPFEDSA-N -1 0 403.431 2.814 50 0 HFAARM COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccc(OC)cc1)c1ccc(C(=O)[O-])cc1 ZINC000096116212 568695944 /nfs/dbraw/zinc/69/59/44/568695944.db2.gz OAJPEPHEHCSKFN-KRWDZBQOSA-N -1 0 410.426 2.696 50 0 biogenic HFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC(=O)Nc1ccccc1F)CC2 ZINC000021642923 568727780 /nfs/dbraw/zinc/72/77/80/568727780.db2.gz CIROPKWNAMTABH-QGZVFWFLSA-N -1 0 402.422 2.856 50 0 HFAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C ZINC000000942846 568753753 /nfs/dbraw/zinc/75/37/53/568753753.db2.gz LAKSWHLQJSTLDS-UHFFFAOYSA-N -1 0 412.471 2.912 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1C ZINC000096458325 568754046 /nfs/dbraw/zinc/75/40/46/568754046.db2.gz HVGABEPOCFFIAR-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)CCc1ccccc1 ZINC000086066869 568755300 /nfs/dbraw/zinc/75/53/00/568755300.db2.gz OTLQQAUTSMUXMH-UHFFFAOYSA-N -1 0 417.469 2.901 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc2c(c1)OCCO2 ZINC000000954840 568758799 /nfs/dbraw/zinc/75/87/99/568758799.db2.gz DJEWCPWTWTWSKZ-UHFFFAOYSA-N -1 0 417.468 2.967 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Br)o1 ZINC000001019088 568762617 /nfs/dbraw/zinc/76/26/17/568762617.db2.gz CIKJNLYXGYBAPI-UHFFFAOYSA-N -1 0 423.248 2.885 50 0 HFAARM CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578115 568770280 /nfs/dbraw/zinc/77/02/80/568770280.db2.gz NWYSWDAQHOYDRP-QGZVFWFLSA-N -1 0 401.536 2.794 50 0 HFAARM CS(=O)(=O)N1CCC(c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)CC1 ZINC000002732364 568805130 /nfs/dbraw/zinc/80/51/30/568805130.db2.gz VDJSDTFZECHWTD-UHFFFAOYSA-N -1 0 418.548 2.666 50 0 HFAARM COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000002948697 568820330 /nfs/dbraw/zinc/82/03/30/568820330.db2.gz ZJBIJSUYQLDEFH-WBILKINKSA-N -1 0 400.431 2.675 50 0 HFAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(c2ccccn2)CC1 ZINC000002972107 568831944 /nfs/dbraw/zinc/83/19/44/568831944.db2.gz LHVZXDKNUAHFKP-UHFFFAOYSA-N -1 0 409.515 2.583 50 0 HFAARM COc1cccc(CNC(=O)CCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)c1 ZINC000002975341 568832642 /nfs/dbraw/zinc/83/26/42/568832642.db2.gz NSRSOFISDUOBJE-UHFFFAOYSA-N -1 0 413.455 2.503 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000012532463 568844316 /nfs/dbraw/zinc/84/43/16/568844316.db2.gz PGECBMUOHFCWOZ-UHFFFAOYSA-N -1 0 413.952 2.731 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccc(OC)c(OC)c1)c2=O ZINC000003043384 568848170 /nfs/dbraw/zinc/84/81/70/568848170.db2.gz UKYSZFMEKPYLGV-UHFFFAOYSA-N -1 0 400.456 2.732 50 0 HFAARM COc1cc(NS(=O)(=O)c2cccc(Br)c2)c(C(=O)[O-])cc1OC ZINC000012548639 568851584 /nfs/dbraw/zinc/85/15/84/568851584.db2.gz TYFFVIQJEVDLNZ-UHFFFAOYSA-N -1 0 416.249 2.965 50 0 HFAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccccc2OC)cc1OC ZINC000003623276 568864367 /nfs/dbraw/zinc/86/43/67/568864367.db2.gz WYQYGJLBUHGMRV-OAHLLOKOSA-N -1 0 403.431 2.814 50 0 HFAARM COc1ccc(CNC(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000012627985 568881765 /nfs/dbraw/zinc/88/17/65/568881765.db2.gz RUGGGIXVGXUADU-UHFFFAOYSA-N -1 0 403.485 2.883 50 0 HFAARM CN(c1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000031667477 568928960 /nfs/dbraw/zinc/92/89/60/568928960.db2.gz PXUSABCYTMNOND-UHFFFAOYSA-N -1 0 420.468 2.794 50 0 HFAARM CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004000356 568932258 /nfs/dbraw/zinc/93/22/58/568932258.db2.gz CRGORDAPSQTXAX-RDJZCZTQSA-N -1 0 405.882 2.662 50 0 biogenic HFAARM CC(C)[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)NCCCC(=O)[O-] ZINC000004084770 568939848 /nfs/dbraw/zinc/93/98/48/568939848.db2.gz RJIXEWLMXVOPGB-FQEVSTJZSA-N -1 0 408.454 2.633 50 0 biogenic HFAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004084553 568939871 /nfs/dbraw/zinc/93/98/71/568939871.db2.gz HQXVTDCBDLRLTQ-HLIPFELVSA-N -1 0 410.495 2.847 50 0 biogenic HFAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000004142726 568946329 /nfs/dbraw/zinc/94/63/29/568946329.db2.gz JJFZPQIDJQXIED-QGZVFWFLSA-N -1 0 423.498 2.945 50 0 HFAARM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000015781505 569002725 /nfs/dbraw/zinc/00/27/25/569002725.db2.gz HNJXQUXDUOBCOQ-UHFFFAOYSA-N -1 0 416.471 2.868 50 0 HFAARM CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000035397703 569034921 /nfs/dbraw/zinc/03/49/21/569034921.db2.gz WJNVYBSSCUMJCP-UHFFFAOYSA-N -1 0 419.503 2.715 50 0 HFAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1OC ZINC000001445607 569053494 /nfs/dbraw/zinc/05/34/94/569053494.db2.gz PYERXGXDODWZDB-UHFFFAOYSA-N -1 0 406.460 2.676 50 0 HFAARM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N(C)Cc1ccccc1C ZINC000089274506 569053881 /nfs/dbraw/zinc/05/38/81/569053881.db2.gz VRTMWXRLHZTDFH-UHFFFAOYSA-N -1 0 412.533 2.586 50 0 HFAARM O=C([O-])[C@@H](NC(=O)Cc1ccccc1)[C@@H](O)c1ccc(N=Cc2ccccc2O)cc1 ZINC000252639023 569061030 /nfs/dbraw/zinc/06/10/30/569061030.db2.gz YHIUHAZYYVUUBO-GOTSBHOMSA-N -1 0 418.449 2.988 50 0 HFAARM CC[C@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000006624116 569075467 /nfs/dbraw/zinc/07/54/67/569075467.db2.gz HCJRVQNWVVWFGR-AWEZNQCLSA-N -1 0 417.458 2.872 50 0 biogenic HFAARM COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)NCCC(=O)[O-])CC2 ZINC000006764640 569114432 /nfs/dbraw/zinc/11/44/32/569114432.db2.gz IQFBUNQXHJHVNJ-HXUWFJFHSA-N -1 0 402.422 2.975 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1 ZINC000006770196 569115978 /nfs/dbraw/zinc/11/59/78/569115978.db2.gz GHPVWUHUEAVDHS-WOJBJXKFSA-N -1 0 405.458 2.798 50 0 HFAARM CCOc1ccc2[nH]c(=O)c(/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)cc2c1 ZINC000001802905 569147570 /nfs/dbraw/zinc/14/75/70/569147570.db2.gz CSXKXKFNUXVVBA-NTEUORMPSA-N -1 0 404.469 2.603 50 0 HFAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c1C(=O)[O-] ZINC000036358966 569150372 /nfs/dbraw/zinc/15/03/72/569150372.db2.gz RBQAVNUTKVMGRY-NRFANRHFSA-N -1 0 407.470 2.820 50 0 HFAARM CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)[O-] ZINC000036569390 569201386 /nfs/dbraw/zinc/20/13/86/569201386.db2.gz IFCSTIWTUVNXRA-PIGZYNQJSA-N -1 0 405.447 2.667 50 0 HFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)c(OC)c1 ZINC000065249943 569205900 /nfs/dbraw/zinc/20/59/00/569205900.db2.gz WFRBNQBYYJNAPM-UHFFFAOYSA-N -1 0 424.388 2.828 50 0 HFAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000013579065 569256376 /nfs/dbraw/zinc/25/63/76/569256376.db2.gz KFPHOWLRWLOJMH-UHFFFAOYSA-N -1 0 404.806 2.939 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)c1 ZINC000013696927 569256989 /nfs/dbraw/zinc/25/69/89/569256989.db2.gz JBQCAGPAYRKOGD-UHFFFAOYSA-N -1 0 402.472 2.804 50 0 HFAARM O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002114825 569284524 /nfs/dbraw/zinc/28/45/24/569284524.db2.gz NZIGMFUVQTXHJU-FQEVSTJZSA-N -1 0 421.449 2.863 50 0 biogenic HFAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](C(=O)[O-])c3ccc(O)cc3)c(C)c12 ZINC000002120889 569285480 /nfs/dbraw/zinc/28/54/80/569285480.db2.gz KCFMGUUIJJEDHL-FQEVSTJZSA-N -1 0 411.410 2.609 50 0 biogenic HFAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])c3ccc(O)cc3)c(=O)oc12 ZINC000002155827 569290225 /nfs/dbraw/zinc/29/02/25/569290225.db2.gz UHOAYOKNAVBHGR-IBGZPJMESA-N -1 0 411.410 2.696 50 0 biogenic HFAARM CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000252676060 569319652 /nfs/dbraw/zinc/31/96/52/569319652.db2.gz VWMBWCXLFRQHFT-LBPRGKRZSA-N -1 0 410.451 2.708 50 0 HFAARM CN(C)c1c(Cl)cccc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000253405686 569365945 /nfs/dbraw/zinc/36/59/45/569365945.db2.gz OTAMEIZLJKZXOC-UHFFFAOYSA-N -1 0 402.813 2.846 50 0 HFAARM COC(=O)C[C@@H](C[P@](=O)([O-])C(O)(c1ccccc1)c1ccccc1)C(=O)OC ZINC000002323887 569375315 /nfs/dbraw/zinc/37/53/15/569375315.db2.gz OIXOIDNHKSLHOD-HNNXBMFYSA-N -1 0 406.371 2.503 50 0 HFAARM [O-]c1c([C@@H](c2ccc(Br)cc2F)N2CCOCC2)sc2ncnn12 ZINC000252478246 569387570 /nfs/dbraw/zinc/38/75/70/569387570.db2.gz AGINKKWDTQDUKM-GFCCVEGCSA-N -1 0 413.272 2.820 50 0 HFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000012883415 569404380 /nfs/dbraw/zinc/40/43/80/569404380.db2.gz RKDKEAOOWFFDMO-BBTUJRGHSA-N -1 0 421.478 2.550 50 0 biogenic HFAARM COc1ccc(OC)c([C@@H]2[C@@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)c1 ZINC000002455973 569409728 /nfs/dbraw/zinc/40/97/28/569409728.db2.gz OHDJSIAXILMNOK-RBUKOAKNSA-N -1 0 401.415 2.716 50 0 HFAARM Cc1ccc(NC(=O)CN2C(=O)N[C@](CCC(=O)[O-])(c3ccccc3)C2=O)c(C)c1 ZINC000008844951 571125133 /nfs/dbraw/zinc/12/51/33/571125133.db2.gz YJFVNUVJHMMBBD-JOCHJYFZSA-N -1 0 409.442 2.554 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cn2ccnc2)cc1 ZINC000040088277 571158657 /nfs/dbraw/zinc/15/86/57/571158657.db2.gz ZEQYICVRKOESHH-HNNXBMFYSA-N -1 0 414.487 2.511 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000008976015 571197927 /nfs/dbraw/zinc/19/79/27/571197927.db2.gz QENNJBXPYRHJBE-UHFFFAOYSA-N -1 0 414.443 2.627 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccnc3)cs2)cc1 ZINC000008992979 571207736 /nfs/dbraw/zinc/20/77/36/571207736.db2.gz CYICWLISFAXGFQ-UHFFFAOYSA-N -1 0 404.473 2.529 50 0 HFAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3c(Cl)cccc3Cl)NN2)C1=O ZINC000009041487 571215007 /nfs/dbraw/zinc/21/50/07/571215007.db2.gz QOGQQCVXDVFMDW-QTQPHVRFSA-N -1 0 413.261 2.742 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000009675325 571278869 /nfs/dbraw/zinc/27/88/69/571278869.db2.gz NRYCTGXFPDVRTL-IAGOWNOFSA-N -1 0 415.812 2.719 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1 ZINC000009675375 571278877 /nfs/dbraw/zinc/27/88/77/571278877.db2.gz FWVUBNLVHLPBFS-CVEARBPZSA-N -1 0 419.775 2.550 50 0 HFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1 ZINC000009684180 571279337 /nfs/dbraw/zinc/27/93/37/571279337.db2.gz ZXFQDQOFNJHKQQ-UHFFFAOYSA-N -1 0 419.503 2.845 50 0 HFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c1 ZINC000009963782 571293089 /nfs/dbraw/zinc/29/30/89/571293089.db2.gz VWPXFJVJOOKGJB-UHFFFAOYSA-N -1 0 420.468 2.979 50 0 HFAARM COCCOc1cc(NS(=O)(=O)/C=C/c2ccccc2)c(C(=O)[O-])cc1OC ZINC000010511878 571303940 /nfs/dbraw/zinc/30/39/40/571303940.db2.gz YSKWQWFSACSMIJ-DHZHZOJOSA-N -1 0 407.444 2.831 50 0 HFAARM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000328594459 571317258 /nfs/dbraw/zinc/31/72/58/571317258.db2.gz LMGJWVOXVOWSTD-CVEARBPZSA-N -1 0 420.465 2.943 50 0 HFAARM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000328594462 571317266 /nfs/dbraw/zinc/31/72/66/571317266.db2.gz LMGJWVOXVOWSTD-JKSUJKDBSA-N -1 0 420.465 2.943 50 0 HFAARM CS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000005099713 132301273 /nfs/dbraw/zinc/30/12/73/132301273.db2.gz TXMCGARKWMZBIT-UHFFFAOYSA-N -1 0 406.938 2.915 50 0 HFAARM CCO[N-]C(=O)COc1c(I)cc(Cl)c2cccnc21 ZINC000032848282 520226087 /nfs/dbraw/zinc/22/60/87/520226087.db2.gz CLVDPVXGHGGKRW-UHFFFAOYSA-N -1 0 406.607 2.939 50 0 HFAARM COCc1nn2c(ncc3c(=O)n(CCC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397829 523246361 /nfs/dbraw/zinc/24/63/61/523246361.db2.gz RTLSBJRKFNVXRO-UHFFFAOYSA-N -1 0 412.833 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558896128 /nfs/dbraw/zinc/89/61/28/558896128.db2.gz JWMSEOJMIBAUMX-UHFFFAOYSA-N -1 0 421.544 2.503 50 0 HFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cc3ccccc3nc2OC)c1 ZINC000071759864 558910004 /nfs/dbraw/zinc/91/00/04/558910004.db2.gz FLEMHRBGUDYCCQ-UHFFFAOYSA-N -1 0 416.455 2.533 50 0 HFAARM COc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000004702412 558910129 /nfs/dbraw/zinc/91/01/29/558910129.db2.gz JMWVSLIFJDMESY-PFSWGADMSA-N -1 0 414.389 2.779 50 0 HFAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000097940963 558946046 /nfs/dbraw/zinc/94/60/46/558946046.db2.gz NOPNNLFCSWRDAC-UHFFFAOYSA-N -1 0 406.439 2.928 50 0 HFAARM O=C([O-])[C@]1(CC(=O)Nc2cccc3nonc32)CC(c2ccccc2Cl)=NO1 ZINC000072405009 558982631 /nfs/dbraw/zinc/98/26/31/558982631.db2.gz ZIXVDOONNLDKBQ-GOSISDBHSA-N -1 0 400.778 2.853 50 0 HFAARM CCOC(=O)N=c1[n-]nc(S(=O)(=O)Cc2cc(-c3cccs3)on2)s1 ZINC000097101244 558994134 /nfs/dbraw/zinc/99/41/34/558994134.db2.gz JIYCZPFLLFTZGO-UHFFFAOYSA-N 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CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100224943 559132511 /nfs/dbraw/zinc/13/25/11/559132511.db2.gz BWWDQXKBIQOUHK-SJLPKXTDSA-N -1 0 411.845 2.946 50 0 HFAARM CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100551387 559136364 /nfs/dbraw/zinc/13/63/64/559136364.db2.gz CBOUFDRWQJINQP-UHFFFAOYSA-N -1 0 418.453 2.681 50 0 HFAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NC[C@@H]4CCCO4)c3=O)c2c1 ZINC000004950973 559215877 /nfs/dbraw/zinc/21/58/77/559215877.db2.gz WLYBYPTUGOOANV-ZDUSSCGKSA-N -1 0 416.503 2.624 50 0 HFAARM COc1cccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1OCC(=O)[O-] ZINC000005205855 560539349 /nfs/dbraw/zinc/53/93/49/560539349.db2.gz UJWNCFWRNAVHFP-MFOYZWKCSA-N -1 0 410.451 2.546 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000001214670 560556290 /nfs/dbraw/zinc/55/62/90/560556290.db2.gz WPSNYBJHGINVGW-UHFFFAOYSA-N -1 0 417.270 2.836 50 0 HFAARM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000005379708 560573095 /nfs/dbraw/zinc/57/30/95/560573095.db2.gz WUEKDELKOCASDI-IAGOWNOFSA-N -1 0 401.463 2.679 50 0 HFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000008790441 560638613 /nfs/dbraw/zinc/63/86/13/560638613.db2.gz RKDKEAOOWFFDMO-WFXMLNOXSA-N -1 0 421.478 2.550 50 0 biogenic HFAARM Cc1ccc(NC(=O)CN2C(=O)N[C@@](CCC(=O)[O-])(c3ccccc3)C2=O)c(C)c1 ZINC000008844952 560639961 /nfs/dbraw/zinc/63/99/61/560639961.db2.gz YJFVNUVJHMMBBD-QFIPXVFZSA-N -1 0 409.442 2.554 50 0 HFAARM O=C([O-])/C(=C/c1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000097993392 560758699 /nfs/dbraw/zinc/75/86/99/560758699.db2.gz QUQROPUCOPKTIL-SDNWHVSQSA-N -1 0 421.496 2.929 50 0 HFAARM COc1ccccc1CNC(=O)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693218 560773562 /nfs/dbraw/zinc/77/35/62/560773562.db2.gz KBPUWTBAKSKUHP-UHFFFAOYSA-N -1 0 409.514 2.944 50 0 HFAARM O=C(NCc1ccc2c(c1)OCO2)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693219 560773595 /nfs/dbraw/zinc/77/35/95/560773595.db2.gz QQYDLKGCUQWCMU-UHFFFAOYSA-N -1 0 423.497 2.664 50 0 HFAARM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(I)cc1 ZINC000012292375 560778847 /nfs/dbraw/zinc/77/88/47/560778847.db2.gz VVOWLNUXUAGTCN-UHFFFAOYSA-N -1 0 417.224 2.815 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)c1 ZINC000101169596 560787731 /nfs/dbraw/zinc/78/77/31/560787731.db2.gz NRYCTGXFPDVRTL-DLBZAZTESA-N -1 0 415.812 2.719 50 0 HFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2 ZINC000101169594 560787745 /nfs/dbraw/zinc/78/77/45/560787745.db2.gz WUJPHULMHWZYPV-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000101352854 560792030 /nfs/dbraw/zinc/79/20/30/560792030.db2.gz YBGCZUSBVRXBGK-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1C ZINC000101387292 560793897 /nfs/dbraw/zinc/79/38/97/560793897.db2.gz HSIZWJPVUGVISY-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccccc1Cl ZINC000101416115 560794592 /nfs/dbraw/zinc/79/45/92/560794592.db2.gz VCYKFFFQBRXXOI-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000101416788 560794639 /nfs/dbraw/zinc/79/46/39/560794639.db2.gz GVECEMZBMJPQBB-PMACEKPBSA-N -1 0 405.458 2.743 50 0 HFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@H]1c1ccccc1 ZINC000101456650 560795490 /nfs/dbraw/zinc/79/54/90/560795490.db2.gz GHUYKIXFFPOEJV-KRWDZBQOSA-N -1 0 424.844 2.582 50 0 HFAARM CCC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@H]1c1ccc(Cl)cc1 ZINC000101494931 560796090 /nfs/dbraw/zinc/79/60/90/560796090.db2.gz AZVLYBHVAWOJJX-ZDUSSCGKSA-N -1 0 406.895 2.900 50 0 HFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1ccc(Br)cc1 ZINC000101764474 560801016 /nfs/dbraw/zinc/80/10/16/560801016.db2.gz DHPZIBHWYOSINM-LBPRGKRZSA-N -1 0 423.292 2.609 50 0 HFAARM CCOC(=O)CCc1c(C)nc2[n-]c(CNc3cccc(C(F)(F)F)c3)nn2c1=O ZINC000101803161 560802259 /nfs/dbraw/zinc/80/22/59/560802259.db2.gz QBDVDVDPYDSGRF-UHFFFAOYSA-N -1 0 423.395 2.853 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1F ZINC000101893371 560804540 /nfs/dbraw/zinc/80/45/40/560804540.db2.gz IFRVEADKIJKMGM-SJORKVTESA-N -1 0 406.377 2.678 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)c1 ZINC000101893522 560804543 /nfs/dbraw/zinc/80/45/43/560804543.db2.gz OXMHZRCNBLDYSU-DLBZAZTESA-N -1 0 406.377 2.678 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccccc1 ZINC000102000792 560807073 /nfs/dbraw/zinc/80/70/73/560807073.db2.gz ZPXKNIORQOXHPT-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM Cn1c(=O)c2ccc(C(=O)NCc3cccc(Br)c3)cc2[n-]c1=S ZINC000103063564 560837154 /nfs/dbraw/zinc/83/71/54/560837154.db2.gz PBWQZJUXOKNSOK-UHFFFAOYSA-N -1 0 404.289 2.915 50 0 HFAARM O=C(Nc1cccc(I)c1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000103439542 560842333 /nfs/dbraw/zinc/84/23/33/560842333.db2.gz MNCXONPDCPWEIH-ZDUSSCGKSA-N -1 0 406.179 2.535 50 0 HFAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1 ZINC000016096286 560858319 /nfs/dbraw/zinc/85/83/19/560858319.db2.gz LBPHJMSCBWCJSN-UHFFFAOYSA-N -1 0 420.306 2.662 50 0 HFAARM COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000012201492 560891743 /nfs/dbraw/zinc/89/17/43/560891743.db2.gz TXNUSYCZYNUGIW-UHFFFAOYSA-N -1 0 411.439 2.698 50 0 HFAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000048232050 568433454 /nfs/dbraw/zinc/43/34/54/568433454.db2.gz OEIPZNTVLQURHJ-UHFFFAOYSA-N -1 0 405.501 2.948 50 0 HFAARM COc1ccc(CNC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1C(=O)[O-] ZINC000048252157 568434286 /nfs/dbraw/zinc/43/42/86/568434286.db2.gz VZTMUOBKZZTINZ-UHFFFAOYSA-N -1 0 420.849 2.860 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)cc1C ZINC000049002661 568446157 /nfs/dbraw/zinc/44/61/57/568446157.db2.gz CGUDLPOXOACCTN-QZTJIDSGSA-N -1 0 402.414 2.847 50 0 HFAARM CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)n1 ZINC000000667793 568460490 /nfs/dbraw/zinc/46/04/90/568460490.db2.gz VAKXMMLKSJDBMY-UHFFFAOYSA-N -1 0 400.460 2.965 50 0 HFAARM Cc1csc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)n1 ZINC000012361094 568509410 /nfs/dbraw/zinc/50/94/10/568509410.db2.gz DGLRCYQLMDOBJD-UHFFFAOYSA-N -1 0 402.910 2.947 50 0 HFAARM COc1ccc(S(=O)(=O)Oc2ccccc2F)c([N-]S(=O)(=O)C(F)F)c1 ZINC000095445400 568611817 /nfs/dbraw/zinc/61/18/17/568611817.db2.gz DGDAIKAIESHTTG-UHFFFAOYSA-N -1 0 411.379 2.566 50 0 HFAARM Cc1ccc(S(=O)(=O)[C@H]2CCCC(=O)C2=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000040157174 568626580 /nfs/dbraw/zinc/62/65/80/568626580.db2.gz NPGDCKBPBVCUSJ-SFTDATJTSA-N -1 0 423.494 2.970 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1F ZINC000095481482 568633782 /nfs/dbraw/zinc/63/37/82/568633782.db2.gz WGRFQZYFAWLELV-CVEARBPZSA-N -1 0 419.775 2.550 50 0 HFAARM C[C@@H](c1ccccc1)n1c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000020757543 568641988 /nfs/dbraw/zinc/64/19/88/568641988.db2.gz NVQXNLLUIAOHIL-LHSJRXKWSA-N -1 0 416.481 2.910 50 0 biogenic HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)n1C ZINC000021154298 568673068 /nfs/dbraw/zinc/67/30/68/568673068.db2.gz UHDHWUFFGMBCJF-UHFFFAOYSA-N -1 0 405.520 2.532 50 0 HFAARM CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(C(=O)[O-])cc2)CCO1 ZINC000096117825 568697188 /nfs/dbraw/zinc/69/71/88/568697188.db2.gz CAVGRHZCZXFJAK-BBRMVZONSA-N -1 0 417.487 2.779 50 0 HFAARM COC(=O)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000096361082 568738948 /nfs/dbraw/zinc/73/89/48/568738948.db2.gz ZFPYZNQFYZGPOA-UHFFFAOYSA-N -1 0 414.443 2.558 50 0 HFAARM CCOC(=O)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000096361054 568738965 /nfs/dbraw/zinc/73/89/65/568738965.db2.gz PJMQJRBVYZTFBT-UHFFFAOYSA-N -1 0 414.443 2.640 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2ccccc2F)cc1 ZINC000096361035 568738983 /nfs/dbraw/zinc/73/89/83/568738983.db2.gz ITMVDHZBOFPCEZ-UHFFFAOYSA-N -1 0 418.450 2.597 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(OC)cc2F)cc1 ZINC000096361164 568739096 /nfs/dbraw/zinc/73/90/96/568739096.db2.gz JEBALLZHHOZBAW-UHFFFAOYSA-N -1 0 420.422 2.619 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000096361170 568739100 /nfs/dbraw/zinc/73/91/00/568739100.db2.gz VLHYFIUJDUZUDJ-UHFFFAOYSA-N -1 0 416.459 2.870 50 0 HFAARM O=C([O-])c1ccc(N2CCN(c3ncccn3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000021882295 568757678 /nfs/dbraw/zinc/75/76/78/568757678.db2.gz OQVIGTJWTUEQRG-UHFFFAOYSA-N -1 0 421.432 2.893 50 0 HFAARM CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002726350 568803858 /nfs/dbraw/zinc/80/38/58/568803858.db2.gz VKFMLMYIMBZHGD-UHFFFAOYSA-N -1 0 404.473 2.990 50 0 HFAARM O=C(CCc1nnc(-c2cccc(OCC3CC3)c2)[n-]c1=O)NCc1cccnc1 ZINC000034765504 568825685 /nfs/dbraw/zinc/82/56/85/568825685.db2.gz RSWOCLSAPIYORL-UHFFFAOYSA-N -1 0 405.458 2.677 50 0 HFAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NC[C@H]1COc2ccccc2O1 ZINC000002972111 568831968 /nfs/dbraw/zinc/83/19/68/568831968.db2.gz GVQWWHVNQNMPJB-AWEZNQCLSA-N -1 0 411.483 2.795 50 0 HFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000002983263 568834566 /nfs/dbraw/zinc/83/45/66/568834566.db2.gz XHHGICRKFOUSQV-FCHUYYIVSA-N -1 0 416.477 2.840 50 0 HFAARM COCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000012526087 568843021 /nfs/dbraw/zinc/84/30/21/568843021.db2.gz RMWFBJLLCXVIGV-UHFFFAOYSA-N -1 0 405.295 2.896 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1 ZINC000012534980 568845031 /nfs/dbraw/zinc/84/50/31/568845031.db2.gz UGRYSSNDNGZNKN-UHFFFAOYSA-N -1 0 414.487 2.513 50 0 HFAARM O=C(NCC(F)(F)F)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012557197 568856213 /nfs/dbraw/zinc/85/62/13/568856213.db2.gz JXNJIIXCGIATCN-UHFFFAOYSA-N -1 0 416.377 2.551 50 0 HFAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(C(=O)OC)c1C ZINC000012604894 568870850 /nfs/dbraw/zinc/87/08/50/568870850.db2.gz VYMOHQJOPZDTPF-UHFFFAOYSA-N -1 0 409.485 2.919 50 0 HFAARM COc1cccc(CNC(=O)c2csc([N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000012627907 568881398 /nfs/dbraw/zinc/88/13/98/568881398.db2.gz WZPXOXYMCLSHKU-UHFFFAOYSA-N -1 0 409.514 2.944 50 0 HFAARM C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000004000391 568932188 /nfs/dbraw/zinc/93/21/88/568932188.db2.gz VLCXFSOGXJRQPQ-KPZWWZAWSA-N -1 0 413.861 2.892 50 0 biogenic HFAARM CC(C)c1noc([C@@H](C)NC(=O)c2cn(CCc3ccccc3)cc(C(=O)[O-])c2=O)n1 ZINC000670457217 568941055 /nfs/dbraw/zinc/94/10/55/568941055.db2.gz NHPZIBWRETZAJC-CQSZACIVSA-N -1 0 424.457 2.787 50 0 HFAARM CCC[C@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000004090423 568942002 /nfs/dbraw/zinc/94/20/02/568942002.db2.gz LOEUZMNUORITAJ-AWEZNQCLSA-N -1 0 417.458 2.953 50 0 biogenic HFAARM CCOC(=O)N1CCN([C@H](c2cccs2)c2sc3nc(C)nn3c2[O-])CC1 ZINC000004121068 568944748 /nfs/dbraw/zinc/94/47/48/568944748.db2.gz WMIRPAJTRPZFDG-CYBMUJFWSA-N -1 0 407.521 2.730 50 0 HFAARM CC(=O)c1cc(I)c([O-])c(I)c1O ZINC000004257806 568955505 /nfs/dbraw/zinc/95/55/05/568955505.db2.gz WZJYEVYUERSTQF-UHFFFAOYSA-N -1 0 403.941 2.510 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c1 ZINC000015669314 568960969 /nfs/dbraw/zinc/96/09/69/568960969.db2.gz NENZYLUIAGTWQC-UHFFFAOYSA-N -1 0 401.444 2.563 50 0 HFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000008135477 568976989 /nfs/dbraw/zinc/97/69/89/568976989.db2.gz VATKJCVEDRDVDW-LJQANCHMSA-N -1 0 418.453 2.539 50 0 HFAARM CC(C)C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)[O-] ZINC000008156854 568978208 /nfs/dbraw/zinc/97/82/08/568978208.db2.gz LHWMRVQKLXXNGQ-IBGZPJMESA-N -1 0 424.563 2.799 50 0 HFAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)[O-] ZINC000035397255 569034753 /nfs/dbraw/zinc/03/47/53/569034753.db2.gz VDXCGLOKAQXNRK-UHFFFAOYSA-N -1 0 423.491 2.834 50 0 HFAARM COc1ccc(C(=O)Nc2c(N)nc(SCc3ccccc3)[n-]c2=O)cc1OC ZINC000006309008 569038686 /nfs/dbraw/zinc/03/86/86/569038686.db2.gz XWAVGWGCKHXOOB-UHFFFAOYSA-N -1 0 412.471 2.914 50 0 HFAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000016534102 569058407 /nfs/dbraw/zinc/05/84/07/569058407.db2.gz LTDNKRJMZSSDPB-GRSHGNNSSA-N -1 0 417.400 2.990 50 0 HFAARM CC(=O)c1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc3cccnc32)c1 ZINC000089518715 569062697 /nfs/dbraw/zinc/06/26/97/569062697.db2.gz KYMVRRYQZOIYLA-HNNXBMFYSA-N -1 0 412.467 2.851 50 0 HFAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(=O)[O-])cc1 ZINC000064461993 569063150 /nfs/dbraw/zinc/06/31/50/569063150.db2.gz XQZRUFLEOCUSEZ-UHFFFAOYSA-N -1 0 417.531 2.890 50 0 HFAARM COc1cccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(F)cc2)c1 ZINC000064580107 569068395 /nfs/dbraw/zinc/06/83/95/569068395.db2.gz YACLJLBTQLYHKI-UHFFFAOYSA-N -1 0 407.405 2.721 50 0 HFAARM Cn1c(=O)c(S(=O)(=O)[O-])c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2 ZINC000002027232 569068657 /nfs/dbraw/zinc/06/86/57/569068657.db2.gz UOWCFJQEKKRXCW-UHFFFAOYSA-N -1 0 420.240 2.759 50 0 HFAARM CCC(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1C(=O)[O-] ZINC000064589922 569069143 /nfs/dbraw/zinc/06/91/43/569069143.db2.gz IUZRCHBKZPTSRC-UHFFFAOYSA-N -1 0 424.501 2.802 50 0 HFAARM O=C([O-])c1ccc(CNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)o1 ZINC000426563232 569073438 /nfs/dbraw/zinc/07/34/38/569073438.db2.gz WLQHLNPGUHQDKC-UHFFFAOYSA-N -1 0 403.394 2.671 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000006729440 569102764 /nfs/dbraw/zinc/10/27/64/569102764.db2.gz ZVLFEADIGQOIOX-WOJBJXKFSA-N -1 0 405.458 2.798 50 0 HFAARM CN1CC[NH+]([C@H](C(=O)[O-])c2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])CC1 ZINC000036357764 569149151 /nfs/dbraw/zinc/14/91/51/569149151.db2.gz GHQMZDMEOJWBDO-FQEVSTJZSA-N -1 0 407.470 2.761 50 0 HFAARM O=C(Nc1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000064991782 569149217 /nfs/dbraw/zinc/14/92/17/569149217.db2.gz KQLKNBDJSNFSBP-UHFFFAOYSA-N -1 0 410.427 2.547 50 0 HFAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)n1 ZINC000065194583 569192817 /nfs/dbraw/zinc/19/28/17/569192817.db2.gz SVXGFGFJALSMQB-UHFFFAOYSA-N -1 0 418.475 2.842 50 0 HFAARM CCc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)o2)o1 ZINC000065246267 569205535 /nfs/dbraw/zinc/20/55/35/569205535.db2.gz IBEYXPGBWTWWAT-UHFFFAOYSA-N -1 0 404.448 2.529 50 0 HFAARM O=C(NCc1ccc(F)cc1F)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-] ZINC000065249896 569205946 /nfs/dbraw/zinc/20/59/46/569205946.db2.gz JFWDBOUZSIXTRW-UHFFFAOYSA-N -1 0 414.343 2.767 50 0 HFAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2cccc(Br)c2)cc2c(=O)[nH]nc1-2 ZINC000524733683 569213834 /nfs/dbraw/zinc/21/38/34/569213834.db2.gz FUNGHJVGDNPNPB-CYBMUJFWSA-N -1 0 420.219 2.702 50 0 HFAARM COCCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000007551197 569249160 /nfs/dbraw/zinc/24/91/60/569249160.db2.gz YPNUFPMAVVSIPQ-QGZVFWFLSA-N -1 0 410.854 2.735 50 0 HFAARM Cc1cccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)c1 ZINC000013576331 569256258 /nfs/dbraw/zinc/25/62/58/569256258.db2.gz UTFGTVMJFNFJSI-IJDCCNJMSA-N -1 0 410.451 2.999 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)c1 ZINC000014097861 569258629 /nfs/dbraw/zinc/25/86/29/569258629.db2.gz KCFRMFATCHHGQJ-UHFFFAOYSA-N -1 0 412.895 2.995 50 0 HFAARM O=C([O-])Cn1cnc2c1nc(NC(=O)OC(c1ccccc1)c1ccccc1)[nH]c2=O ZINC000016696950 569261003 /nfs/dbraw/zinc/26/10/03/569261003.db2.gz JGZVALGHHYRQFC-UHFFFAOYSA-N -1 0 419.397 2.542 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCc1ccc(Cl)cc1)c2=O ZINC000016842117 569264629 /nfs/dbraw/zinc/26/46/29/569264629.db2.gz ZLRQJYGEHCLQEE-UHFFFAOYSA-N -1 0 417.874 2.815 50 0 HFAARM Cc1nnc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)s1 ZINC000016848627 569265403 /nfs/dbraw/zinc/26/54/03/569265403.db2.gz VUOQSUXAGALXBS-UHFFFAOYSA-N -1 0 423.545 2.984 50 0 HFAARM COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1O ZINC000000913060 569281702 /nfs/dbraw/zinc/28/17/02/569281702.db2.gz UYRFCBZILYXXIW-WWGRRREGSA-N -1 0 416.377 2.566 50 0 HFAARM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1O ZINC000002597595 569281751 /nfs/dbraw/zinc/28/17/51/569281751.db2.gz UYRFCBZILYXXIW-HEHGZKQESA-N -1 0 416.377 2.566 50 0 HFAARM CSC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000002117567 569284731 /nfs/dbraw/zinc/28/47/31/569284731.db2.gz GTFUKIBPIIVERM-KRWDZBQOSA-N -1 0 413.451 2.771 50 0 biogenic HFAARM CCSCC[C@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002124707 569286102 /nfs/dbraw/zinc/28/61/02/569286102.db2.gz YLRRRDHJPVFUNI-HNNXBMFYSA-N -1 0 407.488 2.761 50 0 biogenic HFAARM COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Br ZINC000170650705 569292365 /nfs/dbraw/zinc/29/23/65/569292365.db2.gz NNQBUWZLVDNSCY-UHFFFAOYSA-N -1 0 416.249 2.965 50 0 HFAARM CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000007616098 569295924 /nfs/dbraw/zinc/29/59/24/569295924.db2.gz URNRNZSSKBDMPY-UHFFFAOYSA-N -1 0 413.459 2.798 50 0 HFAARM COC(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c1 ZINC000079016031 569423881 /nfs/dbraw/zinc/42/38/81/569423881.db2.gz RCPJCYLLODGZEQ-UHFFFAOYSA-N -1 0 417.468 2.983 50 0 HFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)n1 ZINC000038652435 571052538 /nfs/dbraw/zinc/05/25/38/571052538.db2.gz QXCPYYCYONYAIL-IAGOWNOFSA-N -1 0 424.367 2.817 50 0 HFAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CCSC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694627 571102612 /nfs/dbraw/zinc/10/26/12/571102612.db2.gz QAAVQFGXSNZOPE-IIBYNOLFSA-N -1 0 411.458 2.573 50 0 HFAARM CN1C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)cc2C1=O ZINC000040039876 571142283 /nfs/dbraw/zinc/14/22/83/571142283.db2.gz SBIRJDFOIJRSGS-UHFFFAOYSA-N -1 0 400.334 2.612 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)Cn2ccnc2)cc1 ZINC000040088278 571158647 /nfs/dbraw/zinc/15/86/47/571158647.db2.gz ZEQYICVRKOESHH-OAHLLOKOSA-N -1 0 414.487 2.511 50 0 HFAARM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2C1 ZINC000008976952 571197905 /nfs/dbraw/zinc/19/79/05/571197905.db2.gz CTKXEUCGKKCRET-UHFFFAOYSA-N -1 0 404.488 2.799 50 0 HFAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCCO3)OCCCO2 ZINC000009113593 571223821 /nfs/dbraw/zinc/22/38/21/571223821.db2.gz UTWKYDRBRHNEDL-UHFFFAOYSA-N -1 0 421.427 2.508 50 0 HFAARM C[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1cc2ccccc2o1 ZINC000069514198 571228743 /nfs/dbraw/zinc/22/87/43/571228743.db2.gz OBYLTHNDZWOEPP-NSHDSACASA-N -1 0 409.427 2.619 50 0 HFAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000009215942 571237377 /nfs/dbraw/zinc/23/73/77/571237377.db2.gz YEKZKNOEHOZCFI-XFNCEPBJSA-N -1 0 406.435 2.718 50 0 HFAARM CCCCc1c([O-])nc(SCC(=O)N2CCOCC2)n(-c2ccc(C)cc2)c1=O ZINC000009335037 571249055 /nfs/dbraw/zinc/24/90/55/571249055.db2.gz YVFRFBLSDXSJLH-UHFFFAOYSA-N -1 0 417.531 2.540 50 0 HFAARM CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000009358191 571251447 /nfs/dbraw/zinc/25/14/47/571251447.db2.gz GUTQLDFUWACKKM-IBGZPJMESA-N -1 0 422.872 2.943 50 0 biogenic HFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2s1 ZINC000009420866 571256906 /nfs/dbraw/zinc/25/69/06/571256906.db2.gz KVESMMVYQXIZND-UHFFFAOYSA-N -1 0 405.457 2.691 50 0 HFAARM O=C(CSc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1)NC1CC1 ZINC000070635150 571270448 /nfs/dbraw/zinc/27/04/48/571270448.db2.gz JZMKYTUDLQAJNF-UHFFFAOYSA-N -1 0 401.473 2.816 50 0 HFAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1C(=O)N1CCCCC1 ZINC000009684520 571279479 /nfs/dbraw/zinc/27/94/79/571279479.db2.gz PKFUOYKVZYNRIH-UHFFFAOYSA-N -1 0 405.476 2.787 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCc1ccncc1 ZINC000009828543 571286748 /nfs/dbraw/zinc/28/67/48/571286748.db2.gz DCSDOZVTFSTEPM-UHFFFAOYSA-N -1 0 422.919 2.851 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(SC)c4)c=3c2=O)cc1 ZINC000009835923 571287827 /nfs/dbraw/zinc/28/78/27/571287827.db2.gz SBFHXYGHTYLAIP-MOPGFXCFSA-N -1 0 423.498 2.903 50 0 HFAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CCCCC1 ZINC000071802783 571301545 /nfs/dbraw/zinc/30/15/45/571301545.db2.gz LFDKMNAIAVFWDY-GFCCVEGCSA-N -1 0 409.280 2.706 50 0 HFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000006184952 132309527 /nfs/dbraw/zinc/30/95/27/132309527.db2.gz UMXUKUFUCKMFMG-XSFVSMFZSA-N -1 0 418.453 2.866 50 0 HFAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 ZINC000008694622 132332150 /nfs/dbraw/zinc/33/21/50/132332150.db2.gz CZFOYYLZIKOPQH-GCJKJVERSA-N -1 0 407.495 2.742 50 0 HFAARM O=C([O-])C[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1 ZINC000008782168 132333404 /nfs/dbraw/zinc/33/34/04/132333404.db2.gz BYGUTMGGZCQTDX-GFCCVEGCSA-N -1 0 412.261 2.880 50 0 HFAARM Cc1ccc(C)c(N2CCN(c3ccc(NS(C)(=O)=O)cc3C(=O)[O-])CC2)c1 ZINC000033253011 132779654 /nfs/dbraw/zinc/77/96/54/132779654.db2.gz OINMOYNFWKPQMW-UHFFFAOYSA-N -1 0 403.504 2.700 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)[C@H]1COc2ccccc2O1 ZINC000000958049 557126719 /nfs/dbraw/zinc/12/67/19/557126719.db2.gz ONFHUSCVCWLZEJ-GOSISDBHSA-N -1 0 411.439 2.661 50 0 HFAARM Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)c1nccnc1C(=O)[O-] ZINC000001029445 557146256 /nfs/dbraw/zinc/14/62/56/557146256.db2.gz JZWAFHFGXPGHTI-UHFFFAOYSA-N -1 0 409.299 2.986 50 0 HFAARM CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000001550769 557272150 /nfs/dbraw/zinc/27/21/50/557272150.db2.gz CXGTZJYQWSUFET-IBGZPJMESA-N -1 0 408.472 2.679 50 0 investigational HFAARM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003208059 557456432 /nfs/dbraw/zinc/45/64/32/557456432.db2.gz NIRNVOUEYNAKQN-UHFFFAOYSA-N -1 0 421.862 2.637 50 0 HFAARM C[C@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(O)c2C(=O)O1 ZINC000003874553 557501886 /nfs/dbraw/zinc/50/18/86/557501886.db2.gz RWQKHEORZBHNRI-ZUZCIYMTSA-N -1 0 403.818 2.573 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000004594738 557570779 /nfs/dbraw/zinc/57/07/79/557570779.db2.gz LYBYEIVEMDNVJU-UHFFFAOYSA-N -1 0 412.533 2.668 50 0 HFAARM Cc1cc(N2C(=O)c3ccc(C(=O)Nc4ccc(CC(=O)[O-])cc4)cc3C2=O)no1 ZINC000004813771 557601020 /nfs/dbraw/zinc/60/10/20/557601020.db2.gz UHFHHFYNQWOLKB-UHFFFAOYSA-N -1 0 405.366 2.663 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004818004 557601491 /nfs/dbraw/zinc/60/14/91/557601491.db2.gz YDIZPJLXMXIPPM-UHFFFAOYSA-N -1 0 412.533 2.835 50 0 HFAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2cccc(Br)c2)C1=O ZINC000004838515 557604862 /nfs/dbraw/zinc/60/48/62/557604862.db2.gz DCVGDTCQGDQKSA-GFCCVEGCSA-N -1 0 407.245 2.967 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000004970373 557618505 /nfs/dbraw/zinc/61/85/05/557618505.db2.gz BVAXTGXUBOQAHM-UHFFFAOYSA-N -1 0 416.546 2.732 50 0 HFAARM CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)[O-])cc1 ZINC000012062667 558317541 /nfs/dbraw/zinc/31/75/41/558317541.db2.gz KEUIQEMOLBZUMX-UHFFFAOYSA-N -1 0 415.471 2.941 50 0 HFAARM COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc([N-]S(C)(=O)=O)nc3N2)cc1 ZINC000013123187 558517867 /nfs/dbraw/zinc/51/78/67/558517867.db2.gz UUPPZSRCKSMNLG-IAGOWNOFSA-N -1 0 417.466 2.944 50 0 HFAARM COc1ccc(-c2nc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cs2)cc1 ZINC000023820071 558576999 /nfs/dbraw/zinc/57/69/99/558576999.db2.gz YSKHQLVCNACCEL-UHFFFAOYSA-N -1 0 400.460 2.718 50 0 HFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1 ZINC000004483846 558603151 /nfs/dbraw/zinc/60/31/51/558603151.db2.gz SREMPAPMIXZUDN-RBUKOAKNSA-N -1 0 409.421 2.881 50 0 HFAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000004563120 558732844 /nfs/dbraw/zinc/73/28/44/558732844.db2.gz ILYSOTSLRSTECP-RBUKOAKNSA-N -1 0 401.415 2.716 50 0 HFAARM CCOc1cc([C@H]2[C@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)ccc1O ZINC000004563486 558733230 /nfs/dbraw/zinc/73/32/30/558733230.db2.gz NDWNFEKGSDLQNB-MOPGFXCFSA-N -1 0 401.415 2.803 50 0 HFAARM 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HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4Cl)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893882 560804570 /nfs/dbraw/zinc/80/45/70/560804570.db2.gz XACRMBVYEPVHIQ-HZPDHXFCSA-N -1 0 408.805 2.883 50 0 HFAARM COc1ccc(S(=O)(=O)Nc2ccc(-c3nn(C)cc3C(=O)[O-])cc2)c(C)c1 ZINC000048303414 568436083 /nfs/dbraw/zinc/43/60/83/568436083.db2.gz BHFZSUVGENREGX-UHFFFAOYSA-N -1 0 401.444 2.903 50 0 HFAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3Cl)c2)c1Cl ZINC000048310198 568436501 /nfs/dbraw/zinc/43/65/01/568436501.db2.gz LRROJHUFGWZXPM-UHFFFAOYSA-N -1 0 413.286 2.738 50 0 HFAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000012341963 568483248 /nfs/dbraw/zinc/48/32/48/568483248.db2.gz NVQOESXELHFULK-MRXNPFEDSA-N -1 0 421.473 2.591 50 0 HFAARM COc1ccc(CCN2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1OC ZINC000000799945 568483680 /nfs/dbraw/zinc/48/36/80/568483680.db2.gz OZZAPKBGNBWNSO-SFHVURJKSA-N -1 0 415.467 2.864 50 0 HFAARM Cc1cccc(OC2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1 ZINC000223238858 568542165 /nfs/dbraw/zinc/54/21/65/568542165.db2.gz ANTFOSDIGJJTTD-JOCHJYFZSA-N -1 0 402.491 2.659 50 0 HFAARM O=C([O-])CNC(=O)Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000095425116 568607779 /nfs/dbraw/zinc/60/77/79/568607779.db2.gz JYVBGTWCVVAAQI-UHFFFAOYSA-N -1 0 401.469 2.867 50 0 HFAARM Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000095425357 568607907 /nfs/dbraw/zinc/60/79/07/568607907.db2.gz CQBLOOCBULMQKU-UHFFFAOYSA-N -1 0 416.499 2.874 50 0 HFAARM O=C1NCCN1Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000095464666 568622430 /nfs/dbraw/zinc/62/24/30/568622430.db2.gz KTBNIORAPSNUQQ-UHFFFAOYSA-N -1 0 416.322 2.837 50 0 HFAARM COc1ccc(-c2cnn3c2ncc(C(=O)Nc2cccc(C(=O)[O-])c2)c3N)cc1 ZINC000095475590 568630096 /nfs/dbraw/zinc/63/00/96/568630096.db2.gz DVALUBGYJLWPRB-UHFFFAOYSA-N -1 0 403.398 2.938 50 0 HFAARM CCN(CC)c1nc2sc(C(=O)[N-]S(=O)(=O)Cc3ccccn3)cc2s1 ZINC000225526519 568647355 /nfs/dbraw/zinc/64/73/55/568647355.db2.gz ROALVTLJFLKAIP-UHFFFAOYSA-N -1 0 410.546 2.859 50 0 HFAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncc(I)cn1 ZINC000095944023 568662907 /nfs/dbraw/zinc/66/29/07/568662907.db2.gz YHRCHVROVOGCSL-UHFFFAOYSA-N -1 0 409.636 2.844 50 0 HFAARM COC(=O)C[C@@H](c1ccc(O)cc1)c1c([O-])nc2ccc(Br)cn2c1=O ZINC000096114113 568693677 /nfs/dbraw/zinc/69/36/77/568693677.db2.gz USNWRBTUBYTCGT-ZDUSSCGKSA-N -1 0 419.231 2.563 50 0 biogenic HFAARM COc1cc(Br)c(S(=O)(=O)[N-]C(=O)c2sccc2F)cc1OC ZINC000241124271 568730577 /nfs/dbraw/zinc/73/05/77/568730577.db2.gz JGVGMBRCRGPXQT-UHFFFAOYSA-N -1 0 424.269 2.786 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000096361142 568739055 /nfs/dbraw/zinc/73/90/55/568739055.db2.gz NTDNOYLBVWSSQE-UHFFFAOYSA-N -1 0 412.471 2.960 50 0 HFAARM Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000942853 568753852 /nfs/dbraw/zinc/75/38/52/568753852.db2.gz PYDSGWJREZTTQN-UHFFFAOYSA-N -1 0 412.471 2.912 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)ncn1 ZINC000000945071 568754355 /nfs/dbraw/zinc/75/43/55/568754355.db2.gz BKNJKCJUYVCDAR-UHFFFAOYSA-N -1 0 402.407 2.677 50 0 HFAARM O=C1COc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c(Br)cc2N1 ZINC000031665869 568837502 /nfs/dbraw/zinc/83/75/02/568837502.db2.gz NZYNBJXVEUVUNJ-UHFFFAOYSA-N -1 0 419.203 2.859 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOC)ccc2Cl)cc1 ZINC000012605523 568871059 /nfs/dbraw/zinc/87/10/59/568871059.db2.gz NGDCJEBHDAQNCW-UHFFFAOYSA-N -1 0 412.895 2.916 50 0 HFAARM Cc1nc2sc([C@H](c3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000004142727 568946341 /nfs/dbraw/zinc/94/63/41/568946341.db2.gz JJFZPQIDJQXIED-KRWDZBQOSA-N -1 0 423.498 2.945 50 0 HFAARM CN1C(=O)N[C@H](c2ccc(O)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000007991221 568967145 /nfs/dbraw/zinc/96/71/45/568967145.db2.gz QFDNUFFOHGSKGW-WOSRLPQWSA-N -1 0 400.378 2.900 50 0 HFAARM COc1ccc(NC(=O)c2cnn(C)c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008142747 568977332 /nfs/dbraw/zinc/97/73/32/568977332.db2.gz HRAICZLMZRPDSM-UHFFFAOYSA-N -1 0 404.423 2.621 50 0 HFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)n1 ZINC000038486717 568997223 /nfs/dbraw/zinc/99/72/23/568997223.db2.gz VMYHMCYKNBEUFZ-SJORKVTESA-N -1 0 406.377 2.678 50 0 HFAARM COc1ccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c(OC)c1 ZINC000015861950 569015627 /nfs/dbraw/zinc/01/56/27/569015627.db2.gz VIGPTHHDROHFMQ-UHFFFAOYSA-N -1 0 407.473 2.937 50 0 HFAARM COc1cc(OC)c([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1Cl ZINC000016249214 569030336 /nfs/dbraw/zinc/03/03/36/569030336.db2.gz KFGMIAFZOMKNNO-UHFFFAOYSA-N -1 0 415.880 2.536 50 0 HFAARM COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000035685277 569050391 /nfs/dbraw/zinc/05/03/91/569050391.db2.gz PLQKQUOCAOSWSP-INIZCTEOSA-N -1 0 406.398 2.779 50 0 HFAARM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)c(OC)c1 ZINC000245247557 569055390 /nfs/dbraw/zinc/05/53/90/569055390.db2.gz VUYOVEOINDEXSW-JTDSTZFVSA-N -1 0 424.375 2.808 50 0 HFAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004026628 569060764 /nfs/dbraw/zinc/06/07/64/569060764.db2.gz PIFDTDZOSWFTGB-SFHVURJKSA-N -1 0 409.438 2.855 50 0 biogenic HFAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004694013 569071443 /nfs/dbraw/zinc/07/14/43/569071443.db2.gz JCJFUYCBRVMWBA-UHFFFAOYSA-N -1 0 413.503 2.538 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1C ZINC000006729395 569102805 /nfs/dbraw/zinc/10/28/05/569102805.db2.gz AKAJWZOCIGSRHT-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)cc1Cl ZINC000064837152 569105024 /nfs/dbraw/zinc/10/50/24/569105024.db2.gz NPCAPQZQLRSQGW-UHFFFAOYSA-N -1 0 421.862 2.908 50 0 HFAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036357836 569149312 /nfs/dbraw/zinc/14/93/12/569149312.db2.gz PKWVBXFZNWSBRN-FQEVSTJZSA-N -1 0 411.433 2.964 50 0 HFAARM COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)CC2 ZINC000006848338 569153666 /nfs/dbraw/zinc/15/36/66/569153666.db2.gz IJXJXRVLMGHNEG-UHFFFAOYSA-N -1 0 411.863 2.802 50 0 HFAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2I)c1 ZINC000036385407 569160088 /nfs/dbraw/zinc/16/00/88/569160088.db2.gz ZYGKAUTYAKOSPS-UHFFFAOYSA-N -1 0 403.197 2.790 50 0 HFAARM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000065097587 569176598 /nfs/dbraw/zinc/17/65/98/569176598.db2.gz JSPJFHVMLAKBBN-UHFFFAOYSA-N -1 0 419.488 2.538 50 0 HFAARM COC(=O)c1cccc(NC(=O)c2c(=O)[nH]c3sc(C(C)=O)c(C)c3c2[O-])c1 ZINC000065150543 569184988 /nfs/dbraw/zinc/18/49/88/569184988.db2.gz XRMCDPCJEDYMSM-UHFFFAOYSA-N -1 0 400.412 2.845 50 0 HFAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(C)cc3)c2[nH]c1=O ZINC000065249981 569206029 /nfs/dbraw/zinc/20/60/29/569206029.db2.gz IJOLBERABMHSAS-UHFFFAOYSA-N -1 0 418.409 2.767 50 0 HFAARM CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H](c2nnn[n-]2)c2ccc(F)c(F)c2)c1 ZINC000170595720 569241644 /nfs/dbraw/zinc/24/16/44/569241644.db2.gz GYMFCZSFNISMRM-INIZCTEOSA-N -1 0 415.400 2.953 50 0 HFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000170623108 569249660 /nfs/dbraw/zinc/24/96/60/569249660.db2.gz HETBIKMHZZTEOH-RYUDHWBXSA-N -1 0 412.439 2.620 50 0 HFAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-])ccc12 ZINC000002147993 569289845 /nfs/dbraw/zinc/28/98/45/569289845.db2.gz ZHUNDGFEUMJLEA-DOMZBBRYSA-N -1 0 407.488 2.754 50 0 biogenic HFAARM CC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)C(=O)[O-] ZINC000002159377 569290592 /nfs/dbraw/zinc/29/05/92/569290592.db2.gz PJQZRGWZJMKNSY-SFHVURJKSA-N -1 0 411.410 2.827 50 0 biogenic HFAARM O=C([O-])[C@@H]1[C@H]2C[C@H]3[C@@H]1C(=O)Oc1ccccc1[C@@H]1c4sc(=O)[nH]c4S[C@H]2[C@@H]31 ZINC000059751695 569359071 /nfs/dbraw/zinc/35/90/71/569359071.db2.gz NDQHCUSCDKVEEN-WBUYNGRZSA-N -1 0 401.465 2.545 50 0 HFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3nccc(-c4ccccc4)n3n2)cc1 ZINC000002358567 569385583 /nfs/dbraw/zinc/38/55/83/569385583.db2.gz QWQORZGKRIKLAZ-UHFFFAOYSA-N -1 0 408.443 2.551 50 0 HFAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)[O-] ZINC000012883175 569404479 /nfs/dbraw/zinc/40/44/79/569404479.db2.gz VUXPFBKNAUETSW-JMERFSKESA-N -1 0 408.454 2.632 50 0 biogenic HFAARM Cn1c2ccc(S(=O)(=O)[N-]c3cc(Cc4ccccc4)ccc3O)cc2n(C)c1=O ZINC000079001552 569423539 /nfs/dbraw/zinc/42/35/39/569423539.db2.gz MIWIUBSASVUOMU-UHFFFAOYSA-N -1 0 423.494 2.974 50 0 HFAARM COc1ccc2nc(C(=O)[O-])cc(OCC(=O)Nc3ccc(OC)c(OC)c3)c2c1 ZINC000067341752 571081156 /nfs/dbraw/zinc/08/11/56/571081156.db2.gz ZNWQPUVUPWGMHO-UHFFFAOYSA-N -1 0 412.398 2.976 50 0 HFAARM Cc1c(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccn2c1CCC(=O)[O-] ZINC000008718234 571105739 /nfs/dbraw/zinc/10/57/39/571105739.db2.gz BZIVUFVAPLPHNT-UHFFFAOYSA-N -1 0 414.483 2.746 50 0 HFAARM CCCc1cc(=O)[nH]c(SCC(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2)n1 ZINC000008892246 571142608 /nfs/dbraw/zinc/14/26/08/571142608.db2.gz SFAJFYHUNSESKG-OAHLLOKOSA-N -1 0 405.476 2.568 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 ZINC000009169761 571233386 /nfs/dbraw/zinc/23/33/86/571233386.db2.gz SHMPNKNRBAWEBB-UHFFFAOYSA-N -1 0 420.487 2.886 50 0 HFAARM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)s1 ZINC000009274195 571244443 /nfs/dbraw/zinc/24/44/43/571244443.db2.gz YQWBURPUWQLCCD-UHFFFAOYSA-N -1 0 417.443 2.879 50 0 HFAARM Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1 ZINC000009518125 571265511 /nfs/dbraw/zinc/26/55/11/571265511.db2.gz WQOCTKHCTQHSEL-UHFFFAOYSA-N -1 0 423.498 2.952 50 0 HFAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)s1 ZINC000009572680 571269190 /nfs/dbraw/zinc/26/91/90/571269190.db2.gz CTQNNWPOPHXHLJ-UHFFFAOYSA-N -1 0 423.541 2.972 50 0 HFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2 ZINC000009675319 571278874 /nfs/dbraw/zinc/27/88/74/571278874.db2.gz WUJPHULMHWZYPV-IAGOWNOFSA-N -1 0 415.812 2.719 50 0 HFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003269699 132263913 /nfs/dbraw/zinc/26/39/13/132263913.db2.gz ZTCATSAXSMPJKO-UHFFFAOYSA-N -1 0 410.879 2.558 50 0 HFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc21 ZINC000006719426 132313587 /nfs/dbraw/zinc/31/35/87/132313587.db2.gz UCJKZMMQWNRWCL-UHFFFAOYSA-N -1 0 419.453 2.916 50 0 HFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2 ZINC000006779039 132315609 /nfs/dbraw/zinc/31/56/09/132315609.db2.gz OZAZSZPPKYMPSB-UHFFFAOYSA-N -1 0 406.485 2.733 50 0 HFAARM CCC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020567635 520184993 /nfs/dbraw/zinc/18/49/93/520184993.db2.gz VOYJFLXYWSQETN-XDJHFCHBSA-N -1 0 407.426 2.760 50 0 HFAARM C[C@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)c1ccccc1 ZINC000032836348 524977943 /nfs/dbraw/zinc/97/79/43/524977943.db2.gz CEUKHGIQLRAGAB-ZDUSSCGKSA-N -1 0 424.482 2.985 50 0 HFAARM COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000040313031 525277497 /nfs/dbraw/zinc/27/74/97/525277497.db2.gz GTERNVCETCJXAC-PZJWPPBQSA-N -1 0 420.469 2.771 50 0 biogenic HFAARM O=C(Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042267923 527219112 /nfs/dbraw/zinc/21/91/12/527219112.db2.gz FHPTVOUPSHQNOU-UHFFFAOYSA-N -1 0 401.362 2.524 50 0 HFAARM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000798955 557084077 /nfs/dbraw/zinc/08/40/77/557084077.db2.gz FUNDMASTMOWFDZ-CYBMUJFWSA-N -1 0 416.434 2.823 50 0 HFAARM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000000904164 557115079 /nfs/dbraw/zinc/11/50/79/557115079.db2.gz UDAJXXIKAHFTEO-UHFFFAOYSA-N -1 0 401.444 2.974 50 0 HFAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1 ZINC000001148809 557209646 /nfs/dbraw/zinc/20/96/46/557209646.db2.gz FNTKRSMMNCORNS-UHFFFAOYSA-N -1 0 423.882 2.831 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000001158277 557215992 /nfs/dbraw/zinc/21/59/92/557215992.db2.gz JYGIRNNTSYDSCV-INIZCTEOSA-N -1 0 404.488 2.795 50 0 HFAARM Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cccc1C(=O)[O-] ZINC000002320915 557337170 /nfs/dbraw/zinc/33/71/70/557337170.db2.gz JOBRNKYEAMPRFX-CQSZACIVSA-N -1 0 408.410 2.721 50 0 HFAARM NC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560802 557356601 /nfs/dbraw/zinc/35/66/01/557356601.db2.gz VJZUCXPETVPQIB-LJQANCHMSA-N -1 0 411.458 2.817 50 0 HFAARM COc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000005447778 557654667 /nfs/dbraw/zinc/65/46/67/557654667.db2.gz JRLDOIFFCNLULS-UHFFFAOYSA-N -1 0 413.931 2.948 50 0 HFAARM COc1cc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[n-]2)ccc1O ZINC000005670176 557667613 /nfs/dbraw/zinc/66/76/13/557667613.db2.gz YDQFNABJYNXWLR-CYBMUJFWSA-N -1 0 407.352 2.898 50 0 HFAARM CC(C)(C)c1csc(NC(=O)CSc2nnnn2-c2ccc(C(=O)[O-])cc2)n1 ZINC000019854458 558296399 /nfs/dbraw/zinc/29/63/99/558296399.db2.gz SCWNQXVKPGMFTG-UHFFFAOYSA-N -1 0 418.504 2.845 50 0 HFAARM COC(=O)c1cc(C)sc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019880958 558300797 /nfs/dbraw/zinc/30/07/97/558300797.db2.gz NGQARLXPLLFARA-CYBMUJFWSA-N -1 0 405.453 2.966 50 0 HFAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020745279 558409967 /nfs/dbraw/zinc/40/99/67/558409967.db2.gz POVCODZDNAJRGG-OAHLLOKOSA-N -1 0 410.268 2.830 50 0 HFAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)N1CCCC1 ZINC000022466979 558491159 /nfs/dbraw/zinc/49/11/59/558491159.db2.gz AFOCOQPKCDTZKF-ZDUSSCGKSA-N -1 0 408.501 2.717 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(=O)N3)cc1 ZINC000013121910 558517566 /nfs/dbraw/zinc/51/75/66/558517566.db2.gz CIZWSSIJKJDBIZ-OAHLLOKOSA-N -1 0 417.878 2.972 50 0 HFAARM COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc([N-]S(C)(=O)=O)nc3N2)cc1 ZINC000013123184 558517755 /nfs/dbraw/zinc/51/77/55/558517755.db2.gz UUPPZSRCKSMNLG-IRXDYDNUSA-N -1 0 417.466 2.944 50 0 HFAARM CC(=O)N1N/C(=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC000013572375 558542338 /nfs/dbraw/zinc/54/23/38/558542338.db2.gz MFUZVIQLUNFIBE-FXBHHXAOSA-N -1 0 424.844 2.675 50 0 HFAARM COc1ccc(CNC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1OC ZINC000013720198 558581462 /nfs/dbraw/zinc/58/14/62/558581462.db2.gz BBJIUGQYXBMNFB-UHFFFAOYSA-N -1 0 421.500 2.615 50 0 HFAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000024347736 558595606 /nfs/dbraw/zinc/59/56/06/558595606.db2.gz OYAUDOXJSLRSFH-UHFFFAOYSA-N -1 0 402.394 2.882 50 0 HFAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000004483904 558603120 /nfs/dbraw/zinc/60/31/20/558603120.db2.gz VZTSNZSOOGQFLL-IRXDYDNUSA-N -1 0 400.822 2.851 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1C ZINC000004484044 558603380 /nfs/dbraw/zinc/60/33/80/558603380.db2.gz DEAMWQZXRBJZPT-QZTJIDSGSA-N -1 0 413.384 2.514 50 0 HFAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(S(=O)(=O)NC2CC2)ccc1O ZINC000072293463 558735784 /nfs/dbraw/zinc/73/57/84/558735784.db2.gz QQHRLAXGPHAYRC-UHFFFAOYSA-N -1 0 416.908 2.596 50 0 HFAARM O=C(NC[C@@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033115311 558761596 /nfs/dbraw/zinc/76/15/96/558761596.db2.gz KDZZXNOWQXYQRU-KRWDZBQOSA-N -1 0 418.490 2.953 50 0 HFAARM CCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000004580863 558766971 /nfs/dbraw/zinc/76/69/71/558766971.db2.gz HCKQFPPISGVLMZ-GOSISDBHSA-N -1 0 406.460 2.538 50 0 HFAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc3c(c1)C(=O)N(c1ccccc1)C3=O)C2=O ZINC000000754789 558774283 /nfs/dbraw/zinc/77/42/83/558774283.db2.gz AEQCMZRPEQWRJJ-UHFFFAOYSA-N -1 0 412.357 2.986 50 0 HFAARM CCNc1nc(NCC)nc(Nn2c(=O)c3c4c(sc3[n-]c2=S)CCCC4)n1 ZINC000097922817 558810415 /nfs/dbraw/zinc/81/04/15/558810415.db2.gz PFGGZXUFQWSQHO-UHFFFAOYSA-N -1 0 418.552 2.923 50 0 HFAARM CO[C@@H](C)c1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000071764341 558910301 /nfs/dbraw/zinc/91/03/01/558910301.db2.gz BAVAEOODMADBSR-AWEZNQCLSA-N -1 0 405.472 2.780 50 0 HFAARM COc1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCSCC3)c2)c1F ZINC000071764745 558910721 /nfs/dbraw/zinc/91/07/21/558910721.db2.gz AZJDJOUYOZACJN-UHFFFAOYSA-N -1 0 411.476 2.937 50 0 HFAARM Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000065362321 558972932 /nfs/dbraw/zinc/97/29/32/558972932.db2.gz OETZKBVOTBLGSH-MRXNPFEDSA-N -1 0 418.457 2.743 50 0 HFAARM O=C([O-])c1ccccc1-c1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 ZINC000067934036 558994800 /nfs/dbraw/zinc/99/48/00/558994800.db2.gz ACOUJEOTVUJAGF-UHFFFAOYSA-N -1 0 403.442 2.589 50 0 HFAARM O=C(c1c[nH]nc1-c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)o1)N1CCCC1 ZINC000097151823 558997487 /nfs/dbraw/zinc/99/74/87/558997487.db2.gz RCTYFJUYFLDDFC-UHFFFAOYSA-N -1 0 422.413 2.985 50 0 HFAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCO)ccc2Cl)cc1Cl ZINC000098067151 559062704 /nfs/dbraw/zinc/06/27/04/559062704.db2.gz UIRZOYYMMBCTJM-UHFFFAOYSA-N -1 0 403.287 2.825 50 0 HFAARM O=C([O-])C1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)CC1 ZINC000091452333 559071684 /nfs/dbraw/zinc/07/16/84/559071684.db2.gz UZQQXDKQKHBZRY-UHFFFAOYSA-N -1 0 410.257 2.604 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c(C)c1 ZINC000100032957 559128827 /nfs/dbraw/zinc/12/88/27/559128827.db2.gz HGNJQCGSMXSNBH-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000100032955 559128870 /nfs/dbraw/zinc/12/88/70/559128870.db2.gz CHQZRUPKZGDWST-WOJBJXKFSA-N -1 0 405.458 2.852 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100224946 559132497 /nfs/dbraw/zinc/13/24/97/559132497.db2.gz BWWDQXKBIQOUHK-WMZOPIPTSA-N -1 0 411.845 2.946 50 0 HFAARM COc1ccc(CCNC(=O)c2csc([N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000011693226 559187318 /nfs/dbraw/zinc/18/73/18/559187318.db2.gz IBUHHDGZWWEORX-UHFFFAOYSA-N -1 0 423.541 2.987 50 0 HFAARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])cc1C ZINC000004884198 559197570 /nfs/dbraw/zinc/19/75/70/559197570.db2.gz NMPYXWBEEFEKOM-UHFFFAOYSA-N -1 0 402.472 2.858 50 0 HFAARM COC(=O)C[C@H](c1ccc2nccnc2c1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205976440 559198212 /nfs/dbraw/zinc/19/82/12/559198212.db2.gz CSUPJEQBEWIFDD-CYBMUJFWSA-N -1 0 410.817 2.692 50 0 HFAARM O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21 ZINC000004936385 559211064 /nfs/dbraw/zinc/21/10/64/559211064.db2.gz DEYPXGYUDHWIRH-UHFFFAOYSA-N -1 0 408.520 2.832 50 0 HFAARM O=C([O-])CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408513213 559212623 /nfs/dbraw/zinc/21/26/23/559212623.db2.gz DYUJDDHYMHERJC-UHFFFAOYSA-N -1 0 416.377 2.711 50 0 HFAARM COC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000100565003 559227927 /nfs/dbraw/zinc/22/79/27/559227927.db2.gz KIIZSOSWACMWOK-UHFFFAOYSA-N -1 0 403.460 2.581 50 0 HFAARM CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(CCc2ccccc2)c1[O-] ZINC000100772664 559265275 /nfs/dbraw/zinc/26/52/75/559265275.db2.gz SIMVHTLRSDORIM-NRFANRHFSA-N -1 0 416.481 2.544 50 0 biogenic HFAARM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1C(C)C ZINC000011906021 559266558 /nfs/dbraw/zinc/26/65/58/559266558.db2.gz DRUPMCBYHPGGBS-UHFFFAOYSA-N -1 0 422.528 2.986 50 0 HFAARM O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238881847 559271600 /nfs/dbraw/zinc/27/16/00/559271600.db2.gz BKXCHBOCNVIEOU-WKILWMFISA-N -1 0 415.490 2.670 50 0 HFAARM COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005218165 560543819 /nfs/dbraw/zinc/54/38/19/560543819.db2.gz DISLAVVAWGEEJL-FUHWJXTLSA-N -1 0 411.845 2.864 50 0 HFAARM O=S(=O)([N-]c1ccc(N2CCCCS2(=O)=O)cc1)c1cc(F)ccc1F ZINC000005250701 560551331 /nfs/dbraw/zinc/55/13/31/560551331.db2.gz LCGHSWMQBWXBJX-UHFFFAOYSA-N -1 0 402.444 2.696 50 0 HFAARM CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000005272638 560561123 /nfs/dbraw/zinc/56/11/23/560561123.db2.gz PNVNARZXLWVFDE-SFHVURJKSA-N -1 0 419.909 2.909 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000062006729 560565950 /nfs/dbraw/zinc/56/59/50/560565950.db2.gz GJBPGFCXXSWIQN-UHFFFAOYSA-N -1 0 411.443 2.609 50 0 HFAARM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O ZINC000005346226 560570223 /nfs/dbraw/zinc/57/02/23/560570223.db2.gz KJWKQNGEGLQOLK-QPEQYQDCSA-N -1 0 404.425 2.827 50 0 HFAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)ccc3OC)ccc21 ZINC000017316528 560708587 /nfs/dbraw/zinc/70/85/87/560708587.db2.gz SFAHJYPGAKRHKP-UHFFFAOYSA-N -1 0 424.544 2.907 50 0 HFAARM CCOc1ncc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(N(C)C)n1 ZINC000206730691 560740337 /nfs/dbraw/zinc/74/03/37/560740337.db2.gz HUSIMFLFTPBWIC-UHFFFAOYSA-N -1 0 406.386 2.641 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1Cl ZINC000101083611 560773169 /nfs/dbraw/zinc/77/31/69/560773169.db2.gz WJBGSAJEFGBLLQ-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000101165766 560787322 /nfs/dbraw/zinc/78/73/22/560787322.db2.gz SMEWXXBDLAMFBF-ROUUACIJSA-N -1 0 411.849 2.834 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1C ZINC000101277558 560790276 /nfs/dbraw/zinc/79/02/76/560790276.db2.gz OQOMHILHMYRJPH-QZTJIDSGSA-N -1 0 402.414 2.847 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)n2)cc1 ZINC000101270966 560790971 /nfs/dbraw/zinc/79/09/71/560790971.db2.gz WMFYRTZSICITCI-DLBZAZTESA-N -1 0 406.377 2.678 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000101416122 560794578 /nfs/dbraw/zinc/79/45/78/560794578.db2.gz WNPXBWFDCIWSLA-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@@H]1c1ccccc1 ZINC000101456652 560795591 /nfs/dbraw/zinc/79/55/91/560795591.db2.gz GHUYKIXFFPOEJV-QGZVFWFLSA-N -1 0 424.844 2.582 50 0 HFAARM O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)nc2[n-]c(-c3ccc(F)cc3)nn21 ZINC000101841747 560801229 /nfs/dbraw/zinc/80/12/29/560801229.db2.gz CRBHWOLAOFBRIE-UHFFFAOYSA-N -1 0 422.439 2.685 50 0 HFAARM O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)nc2[n-]c(-c3cccs3)nn21 ZINC000101841919 560801256 /nfs/dbraw/zinc/80/12/56/560801256.db2.gz HIRVSLNSCXZBBX-UHFFFAOYSA-N -1 0 410.478 2.607 50 0 HFAARM COc1cccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2cccc(C)c2)c1 ZINC000101802238 560802068 /nfs/dbraw/zinc/80/20/68/560802068.db2.gz TXKMQWRKJSSHMN-UHFFFAOYSA-N -1 0 403.442 2.890 50 0 HFAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccc(C)cc1 ZINC000101802508 560802084 /nfs/dbraw/zinc/80/20/84/560802084.db2.gz NMPFMHYBRSTNEJ-UHFFFAOYSA-N -1 0 403.442 2.890 50 0 HFAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccccc2)cc1 ZINC000101802359 560802103 /nfs/dbraw/zinc/80/21/03/560802103.db2.gz WJCFSDDEDJIUFN-UHFFFAOYSA-N -1 0 403.442 2.972 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(F)c5)c(=O)c3=4)n2)c1 ZINC000101892906 560804478 /nfs/dbraw/zinc/80/44/78/560804478.db2.gz BZWGQLKKMYFEJR-IRXDYDNUSA-N -1 0 424.367 2.817 50 0 HFAARM CCOC(=O)C(=C([O-])Cn1nnc(-c2ccc(Cl)cc2)n1)c1nc(C)cs1 ZINC000103055781 560837114 /nfs/dbraw/zinc/83/71/14/560837114.db2.gz KLPAJRUHJBPCDY-CQSZACIVSA-N -1 0 405.867 2.674 50 0 HFAARM Cn1c(=O)c2ccc(C(=O)NCc3cc(Br)cs3)cc2[n-]c1=S ZINC000103569616 560843321 /nfs/dbraw/zinc/84/33/21/560843321.db2.gz SEBRPEIYZDNJHR-UHFFFAOYSA-N -1 0 410.318 2.976 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1 ZINC000101277619 560851684 /nfs/dbraw/zinc/85/16/84/560851684.db2.gz NIBFFKCRGPKNBU-ZWKOTPCHSA-N -1 0 418.413 2.547 50 0 HFAARM CCOC(=O)c1c([O-])c2c(=O)n(C)nc(-c3ccccc3)c2n(-c2ccccc2)c1=O ZINC000109214391 568421222 /nfs/dbraw/zinc/42/12/22/568421222.db2.gz YBYHMYPIJZYICS-UHFFFAOYSA-N -1 0 417.421 2.634 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)c1 ZINC000005153791 568454649 /nfs/dbraw/zinc/45/46/49/568454649.db2.gz SAYBWUJWHLOBCD-GFCCVEGCSA-N -1 0 402.472 2.901 50 0 HFAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007728505 568483759 /nfs/dbraw/zinc/48/37/59/568483759.db2.gz UMJKHJJAIGYRGJ-KRWDZBQOSA-N -1 0 400.500 2.885 50 0 HFAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCCCC1 ZINC000095349565 568600651 /nfs/dbraw/zinc/60/06/51/568600651.db2.gz AOJPXZWTOGPERU-LBPRGKRZSA-N -1 0 409.280 2.706 50 0 HFAARM CO[N-]C(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC000095377393 568603378 /nfs/dbraw/zinc/60/33/78/568603378.db2.gz HPJQTTNJPBBVON-ZETCQYMHSA-N -1 0 406.607 2.938 50 0 HFAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000020491725 568614640 /nfs/dbraw/zinc/61/46/40/568614640.db2.gz BKNACALSSYARJL-UHFFFAOYSA-N -1 0 406.460 2.924 50 0 HFAARM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCCOCC[N-]C(=O)C(F)(F)F ZINC000095467964 568625105 /nfs/dbraw/zinc/62/51/05/568625105.db2.gz FLFHMJLXVLQVGH-LBPRGKRZSA-N -1 0 401.303 2.961 50 0 HFAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)NCc1ccc(F)cc1 ZINC000020981993 568654404 /nfs/dbraw/zinc/65/44/04/568654404.db2.gz LWDDVUXRHNVGSG-UHFFFAOYSA-N -1 0 400.431 2.862 50 0 HFAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1 ZINC000021154310 568673090 /nfs/dbraw/zinc/67/30/90/568673090.db2.gz UNQXKQQLLKAXRC-UHFFFAOYSA-N -1 0 419.547 2.786 50 0 HFAARM CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(C(=O)[O-])cc2)CCO1 ZINC000096117827 568697113 /nfs/dbraw/zinc/69/71/13/568697113.db2.gz CAVGRHZCZXFJAK-XJKSGUPXSA-N -1 0 417.487 2.779 50 0 HFAARM O=C([O-])Cn1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000096593750 568698753 /nfs/dbraw/zinc/69/87/53/568698753.db2.gz KSKJBYQWWVPQRP-OVCLIPMQSA-N -1 0 409.423 2.986 50 0 HFAARM COc1ccc(CC(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(F)cc2)cc1 ZINC000096319226 568727559 /nfs/dbraw/zinc/72/75/59/568727559.db2.gz IGKCTVTZNIPFDR-UHFFFAOYSA-N -1 0 421.432 2.650 50 0 HFAARM COc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000096361300 568739305 /nfs/dbraw/zinc/73/93/05/568739305.db2.gz WTSOTYRYJQXTIA-UHFFFAOYSA-N -1 0 420.878 2.803 50 0 HFAARM O=C(NCc1ccccc1F)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361302 568739347 /nfs/dbraw/zinc/73/93/47/568739347.db2.gz YKYNIIAEVRNACT-UHFFFAOYSA-N -1 0 408.842 2.933 50 0 HFAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)sc2c1 ZINC000001113695 568771010 /nfs/dbraw/zinc/77/10/10/568771010.db2.gz QTUHMOVIXHCTLH-UHFFFAOYSA-N -1 0 418.500 2.686 50 0 HFAARM O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCCc1ccc(Cl)cc1 ZINC000002966928 568831224 /nfs/dbraw/zinc/83/12/24/568831224.db2.gz HIPLIXVOZARFLP-INIZCTEOSA-N -1 0 412.902 2.757 50 0 HFAARM COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1OC ZINC000003043787 568848325 /nfs/dbraw/zinc/84/83/25/568848325.db2.gz VNJXETDYOLMRJS-UHFFFAOYSA-N -1 0 413.499 2.825 50 0 HFAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1 ZINC000012544820 568850056 /nfs/dbraw/zinc/85/00/56/568850056.db2.gz SLQZIJRJLUIKFO-UHFFFAOYSA-N -1 0 409.407 2.832 50 0 HFAARM CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000003624504 568864549 /nfs/dbraw/zinc/86/45/49/568864549.db2.gz OQQITEAAWXLNRZ-IBGZPJMESA-N -1 0 420.487 2.928 50 0 HFAARM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)ccc1N1CCCC1=O ZINC000012651613 568906637 /nfs/dbraw/zinc/90/66/37/568906637.db2.gz DIYLURJHLSHPCA-UHFFFAOYSA-N -1 0 418.471 2.938 50 0 HFAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000004120914 568944801 /nfs/dbraw/zinc/94/48/01/568944801.db2.gz JBXLBQUMKOUYSF-OAHLLOKOSA-N -1 0 419.482 2.807 50 0 HFAARM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000008314851 568989821 /nfs/dbraw/zinc/98/98/21/568989821.db2.gz USKVFNSGOBLTBT-NHCUHLMSSA-N -1 0 407.470 2.856 50 0 HFAARM Nn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccc(OC(F)F)cc1 ZINC000012897329 569020342 /nfs/dbraw/zinc/02/03/42/569020342.db2.gz GGKFPGZPMYDBDB-UHFFFAOYSA-N -1 0 422.442 2.851 50 0 HFAARM Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)cc1 ZINC000006309359 569038662 /nfs/dbraw/zinc/03/86/62/569038662.db2.gz YEWQZIQDZREXAM-UHFFFAOYSA-N -1 0 415.500 2.705 50 0 HFAARM COc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000035684693 569049608 /nfs/dbraw/zinc/04/96/08/569049608.db2.gz MMSCYCDBBLWIEU-MRXNPFEDSA-N -1 0 406.398 2.779 50 0 HFAARM COc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2c(-c3ccc(F)cc3)cnn21 ZINC000035685077 569050236 /nfs/dbraw/zinc/05/02/36/569050236.db2.gz WSBJJODFKQWWKI-INIZCTEOSA-N -1 0 424.388 2.918 50 0 HFAARM CCCCN1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])c3cccc(c23)C1=O ZINC000001805658 569053450 /nfs/dbraw/zinc/05/34/50/569053450.db2.gz NYWHVZPORAEYRD-MRXNPFEDSA-N -1 0 402.472 2.838 50 0 HFAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000006471521 569058012 /nfs/dbraw/zinc/05/80/12/569058012.db2.gz ZHAMIUAYCKINRU-UHFFFAOYSA-N -1 0 404.488 2.908 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)c1 ZINC000064565344 569067034 /nfs/dbraw/zinc/06/70/34/569067034.db2.gz OXMHZRCNBLDYSU-SJORKVTESA-N -1 0 406.377 2.678 50 0 HFAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036365122 569152201 /nfs/dbraw/zinc/15/22/01/569152201.db2.gz XTFBQUPGIPLFDG-HXUWFJFHSA-N -1 0 411.433 2.964 50 0 HFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)cc1 ZINC000065194083 569192646 /nfs/dbraw/zinc/19/26/46/569192646.db2.gz QRQOKMGJKCQZHX-UHFFFAOYSA-N -1 0 418.475 2.978 50 0 HFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)cc1F ZINC000065249967 569206001 /nfs/dbraw/zinc/20/60/01/569206001.db2.gz YXNNDZHRFZIMJK-UHFFFAOYSA-N -1 0 412.352 2.959 50 0 HFAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000007051776 569214070 /nfs/dbraw/zinc/21/40/70/569214070.db2.gz LWMPIOOYZDBHAC-UHFFFAOYSA-N -1 0 412.471 2.802 50 0 HFAARM O=S(=O)([N-]c1nccs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000170598641 569242551 /nfs/dbraw/zinc/24/25/51/569242551.db2.gz NFWSSAJEAGGXRH-UHFFFAOYSA-N -1 0 401.535 2.509 50 0 HFAARM CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000170601381 569243347 /nfs/dbraw/zinc/24/33/47/569243347.db2.gz YOCXJUREUWZGHB-AWEZNQCLSA-N -1 0 411.524 2.578 50 0 HFAARM Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000013447557 569255638 /nfs/dbraw/zinc/25/56/38/569255638.db2.gz LTTLAWXLFKZMMD-UHFFFAOYSA-N -1 0 415.393 2.845 50 0 HFAARM Cc1cccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C=CC(=O)[O-])cc3)C2=O)c1 ZINC000013576291 569256221 /nfs/dbraw/zinc/25/62/21/569256221.db2.gz NXZAKNNKBQYSTP-FVNWOWOISA-N -1 0 410.451 2.999 50 0 HFAARM CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@]23C(=O)[O-])cc1 ZINC000089893449 569267847 /nfs/dbraw/zinc/26/78/47/569267847.db2.gz FSNTVUIAFJNAPQ-QHCPKHFHSA-N -1 0 416.437 2.974 50 0 HFAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](CCSC)C(=O)[O-])c(C)c2cc1Cl ZINC000002125397 569286067 /nfs/dbraw/zinc/28/60/67/569286067.db2.gz UNKAYAGYSDCWEN-ZDUSSCGKSA-N -1 0 413.879 2.628 50 0 biogenic HFAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc12 ZINC000002157838 569290449 /nfs/dbraw/zinc/29/04/49/569290449.db2.gz CIZPNLRUFPYKHO-SFHVURJKSA-N -1 0 409.438 2.860 50 0 biogenic HFAARM CCOC(=O)[C@]([N-]c1ncccn1)(NC(=O)c1ccccc1OCC)C(F)(F)F ZINC000002306039 569372407 /nfs/dbraw/zinc/37/24/07/569372407.db2.gz XIHAMTJUWXQIBL-QGZVFWFLSA-N -1 0 412.368 2.539 50 0 HFAARM CN(CCc1ccccn1)C(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000008661779 571099767 /nfs/dbraw/zinc/09/97/67/571099767.db2.gz CODIMGDVCZHNEV-KRWDZBQOSA-N -1 0 424.526 2.948 50 0 HFAARM O=C([O-])c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3F)C2=O)ccc1O ZINC000009252645 571242606 /nfs/dbraw/zinc/24/26/06/571242606.db2.gz QXPPJPOUKCPJAQ-CHHVJCJISA-N -1 0 416.386 2.905 50 0 HFAARM COc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1OC ZINC000009530178 571266759 /nfs/dbraw/zinc/26/67/59/571266759.db2.gz AEYLVABZLLAMDE-UHFFFAOYSA-N -1 0 407.473 2.546 50 0 HFAARM CCN1CCOc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc2C1=O ZINC000009828215 571286769 /nfs/dbraw/zinc/28/67/69/571286769.db2.gz FOBPKHHNKCAKCK-UHFFFAOYSA-N -1 0 404.488 2.967 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCC[C@H](C)C3)cs2)cc1 ZINC000009828620 571286929 /nfs/dbraw/zinc/28/69/29/571286929.db2.gz MUWJWBLMCLGVMU-ZDUSSCGKSA-N -1 0 409.533 2.754 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(O)c3)cs2)cc1 ZINC000013722507 571309352 /nfs/dbraw/zinc/30/93/52/571309352.db2.gz DHPGHNYFNABFLV-UHFFFAOYSA-N -1 0 419.484 2.839 50 0 HFAARM O=C(NNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000038173008 571317558 /nfs/dbraw/zinc/31/75/58/571317558.db2.gz PTCAULWXGJQBFM-SFQUDFHCSA-N -1 0 408.458 2.831 50 0 HFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4ccccc4)CC3)cc21 ZINC000001428791 132245941 /nfs/dbraw/zinc/24/59/41/132245941.db2.gz KDLLGHPXEJMXSU-UHFFFAOYSA-N -1 0 423.444 2.821 50 0 HFAARM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000882254 520749863 /nfs/dbraw/zinc/74/98/63/520749863.db2.gz BRATWIAGEUUOTN-HOTGVXAUSA-N -1 0 418.490 2.926 50 0 HFAARM CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2ccccc2F)CC1 ZINC000032962008 521684305 /nfs/dbraw/zinc/68/43/05/521684305.db2.gz TVEJQTDWUNJTIK-UHFFFAOYSA-N -1 0 421.494 2.608 50 0 HFAARM COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000020035239 523382275 /nfs/dbraw/zinc/38/22/75/523382275.db2.gz UZSUXXSWESPMFJ-QRRJMBGHSA-N -1 0 410.470 3.000 50 0 HFAARM COc1ccc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000032895372 523771666 /nfs/dbraw/zinc/77/16/66/523771666.db2.gz IXBRDQJGRQMESK-CXAGYDPISA-N -1 0 419.455 2.665 50 0 HFAARM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000032082035 524758169 /nfs/dbraw/zinc/75/81/69/524758169.db2.gz CHYBSCILAPFTDT-GFCCVEGCSA-N -1 0 408.863 2.887 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Br)ccc2F)cc1OC ZINC000042294627 525052032 /nfs/dbraw/zinc/05/20/32/525052032.db2.gz YZQPWWBHXQJGOE-UHFFFAOYSA-N -1 0 418.240 2.724 50 0 HFAARM C[C@@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)c1ccccc1 ZINC000032836346 525126573 /nfs/dbraw/zinc/12/65/73/525126573.db2.gz CEUKHGIQLRAGAB-CYBMUJFWSA-N -1 0 424.482 2.985 50 0 HFAARM O=C([O-])c1ccc(N2CCN(c3ncccn3)CC2)c(NC(=O)c2ccccc2)c1 ZINC000032947003 526374144 /nfs/dbraw/zinc/37/41/44/526374144.db2.gz NPPDCJSFCIPVMD-UHFFFAOYSA-N -1 0 403.442 2.754 50 0 HFAARM O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000631440 557027091 /nfs/dbraw/zinc/02/70/91/557027091.db2.gz PBGCBOOISHZIEO-UHFFFAOYSA-N -1 0 418.862 2.948 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2cnn(C)c2)cc1 ZINC000000656518 557041359 /nfs/dbraw/zinc/04/13/59/557041359.db2.gz HIEMRZRKFZGFLB-KPKJPENVSA-N -1 0 412.471 2.881 50 0 HFAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022626820 557107679 /nfs/dbraw/zinc/10/76/79/557107679.db2.gz MENTXZNXOLNXLB-AWEZNQCLSA-N -1 0 422.352 2.904 50 0 HFAARM CCc1nnc(N2C(=O)c3ccc(C(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)s1 ZINC000001163502 557219624 /nfs/dbraw/zinc/21/96/24/557219624.db2.gz OVZPOPWJWJYMQC-UHFFFAOYSA-N -1 0 407.407 2.830 50 0 HFAARM Cc1cc(C)nc(NC(=N)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1 ZINC000001890103 557294260 /nfs/dbraw/zinc/29/42/60/557294260.db2.gz QTSIGPTXUOZXBX-UHFFFAOYSA-N -1 0 403.493 2.810 50 0 HFAARM C[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1cccc(Cl)c1 ZINC000071890337 557314617 /nfs/dbraw/zinc/31/46/17/557314617.db2.gz AQKSYNDFHXOYKY-JTQLQIEISA-N -1 0 403.851 2.526 50 0 HFAARM CCOCCOc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[n-]2)cc1 ZINC000034763482 557461197 /nfs/dbraw/zinc/46/11/97/557461197.db2.gz CHHWAHYRFYKKPP-UHFFFAOYSA-N -1 0 414.506 2.851 50 0 HFAARM Cc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000003252547 557464580 /nfs/dbraw/zinc/46/45/80/557464580.db2.gz VYXKKWQWHAZJII-UHFFFAOYSA-N -1 0 421.862 2.637 50 0 HFAARM COCCn1c(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[n-]c1=S ZINC000002969751 557774977 /nfs/dbraw/zinc/77/49/77/557774977.db2.gz ZROWXNJOZAWVPW-UHFFFAOYSA-N -1 0 424.526 2.668 50 0 HFAARM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855126 557842334 /nfs/dbraw/zinc/84/23/34/557842334.db2.gz JOVPSSCNMDVUEO-GOSISDBHSA-N -1 0 413.547 2.875 50 0 HFAARM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000020722172 558403502 /nfs/dbraw/zinc/40/35/02/558403502.db2.gz PTOLDJBWOTVATC-FQEVSTJZSA-N -1 0 413.499 2.609 50 0 HFAARM Cc1sc([N-]S(=O)(=O)c2ccccc2)nc1C(=O)NC[C@@H](O)c1ccccc1 ZINC000020725399 558404642 /nfs/dbraw/zinc/40/46/42/558404642.db2.gz DRQXYURGANBIOW-MRXNPFEDSA-N -1 0 417.512 2.716 50 0 HFAARM COc1ccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)[O-])cs2)cc1OC ZINC000020738536 558408663 /nfs/dbraw/zinc/40/86/63/558408663.db2.gz MBZFYRPRTITXAB-ZDUSSCGKSA-N -1 0 410.517 2.692 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1 ZINC000022771409 558508629 /nfs/dbraw/zinc/50/86/29/558508629.db2.gz YPIITMWGVWYETQ-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1Cl ZINC000022771450 558508722 /nfs/dbraw/zinc/50/87/22/558508722.db2.gz SLWCOAYCUICAHQ-DLBZAZTESA-N -1 0 415.812 2.719 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1C ZINC000004484069 558603430 /nfs/dbraw/zinc/60/34/30/558603430.db2.gz HVGABEPOCFFIAR-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM COCCOC(=O)C1=C(C)N(CC(C)C)C(=S)N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000032869267 558678880 /nfs/dbraw/zinc/67/88/80/558678880.db2.gz VPJGMOQQWSKFPV-KRWDZBQOSA-N -1 0 406.504 2.736 50 0 HFAARM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000028809364 558704857 /nfs/dbraw/zinc/70/48/57/558704857.db2.gz KCPXPSZOFPJEEG-UHFFFAOYSA-N -1 0 417.270 2.697 50 0 HFAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1cccc(OC)c1OC)N(C)C2=O ZINC000004563429 558733055 /nfs/dbraw/zinc/73/30/55/558733055.db2.gz KKWULAXBLFUDOA-ZWKOTPCHSA-N -1 0 401.415 2.716 50 0 HFAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccccc2C(C)=O)c(C(=O)OC)c1C ZINC000016153570 558773863 /nfs/dbraw/zinc/77/38/63/558773863.db2.gz KEHDKOTXEKRZBG-UHFFFAOYSA-N -1 0 411.457 2.633 50 0 HFAARM COc1ccc(OCCNC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000016259965 558781542 /nfs/dbraw/zinc/78/15/42/558781542.db2.gz ORPOPCXVPFFQFV-UHFFFAOYSA-N -1 0 413.449 2.750 50 0 HFAARM COC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CC[C@H](c1ccccc1)C2 ZINC000017082648 558814785 /nfs/dbraw/zinc/81/47/85/558814785.db2.gz CHJDTDZDRVWYCF-ZDUSSCGKSA-N -1 0 403.456 2.847 50 0 HFAARM CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000017093215 558821574 /nfs/dbraw/zinc/82/15/74/558821574.db2.gz LXLXHBIYWITRBZ-RBUKOAKNSA-N -1 0 422.547 2.534 50 0 HFAARM COc1cccc(CNC(=O)Cn2c([O-])nc3c(-c4ccccc4F)c[nH]c3c2=O)c1 ZINC000033038105 558862597 /nfs/dbraw/zinc/86/25/97/558862597.db2.gz WLWXOHRXCGIGAH-UHFFFAOYSA-N -1 0 422.416 2.561 50 0 HFAARM COC(=O)C=Cc1cc(OC)c(OC)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC000058167062 558907344 /nfs/dbraw/zinc/90/73/44/558907344.db2.gz NJUHBLDIJLXWEO-BJMVGYQFSA-N -1 0 419.455 2.893 50 0 HFAARM CCc1ocnc1C(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2C1 ZINC000077438184 559005175 /nfs/dbraw/zinc/00/51/75/559005175.db2.gz YWQPSXPOKHZAGU-UHFFFAOYSA-N -1 0 412.471 2.631 50 0 HFAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCOCC3)c([O-])n2n1 ZINC000023157037 559022056 /nfs/dbraw/zinc/02/20/56/559022056.db2.gz ZVMOTOQRFGHSEH-CYBMUJFWSA-N -1 0 409.309 2.989 50 0 HFAARM Cc1ccccc1[C@@H](NC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1)c1ccncc1 ZINC000095352859 559079723 /nfs/dbraw/zinc/07/97/23/559079723.db2.gz QWTZPELLUASHMS-NRFANRHFSA-N -1 0 400.438 2.966 50 0 HFAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H](C)C(=O)NC2CC2)c1 ZINC000004818201 559115397 /nfs/dbraw/zinc/11/53/97/559115397.db2.gz RNUCFEGTXGDSGU-OAHLLOKOSA-N -1 0 416.499 2.928 50 0 HFAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000100028383 559128754 /nfs/dbraw/zinc/12/87/54/559128754.db2.gz FMZRSDPJUYDBCT-IRXDYDNUSA-N -1 0 415.812 2.719 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1C ZINC000100033139 559128901 /nfs/dbraw/zinc/12/89/01/559128901.db2.gz RLODVUONNDHYKK-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205967687 559190260 /nfs/dbraw/zinc/19/02/60/559190260.db2.gz MPNQCNRVXKJHNF-INIZCTEOSA-N -1 0 418.409 2.677 50 0 HFAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000005154199 559253486 /nfs/dbraw/zinc/25/34/86/559253486.db2.gz DGMQPDHKHXJMCO-UHFFFAOYSA-N -1 0 414.483 2.890 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3ccc4nncn4n3)cc2)c1 ZINC000005150814 559253683 /nfs/dbraw/zinc/25/36/83/559253683.db2.gz ZDXZEGOGNDVDSO-UHFFFAOYSA-N -1 0 411.443 2.609 50 0 HFAARM O=S(=O)([N-]c1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000011795857 559259770 /nfs/dbraw/zinc/25/97/70/559259770.db2.gz HHDOCZNSBUTVGE-INIZCTEOSA-N -1 0 417.512 2.711 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011795883 559259793 /nfs/dbraw/zinc/25/97/93/559259793.db2.gz YFRFGCHFNFLOGN-AWEZNQCLSA-N -1 0 421.500 2.612 50 0 HFAARM O=C([O-])CCCCCNC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000238937204 559271738 /nfs/dbraw/zinc/27/17/38/559271738.db2.gz UEPCGBANSVRLRO-WKILWMFISA-N -1 0 415.490 2.670 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(OC)nn3)c2)c(OC)c1 ZINC000005204177 560538524 /nfs/dbraw/zinc/53/85/24/560538524.db2.gz FNUAIXIKRGETRX-UHFFFAOYSA-N -1 0 401.444 2.970 50 0 HFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(C)(=O)=O)s1 ZINC000005329102 560565562 /nfs/dbraw/zinc/56/55/62/560565562.db2.gz KJGNQMVFLVTHNG-UHFFFAOYSA-N -1 0 400.547 2.824 50 0 HFAARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(I)cc1 ZINC000004757062 560736338 /nfs/dbraw/zinc/73/63/38/560736338.db2.gz PLJIQKJMJAHNRG-UHFFFAOYSA-N -1 0 403.197 2.790 50 0 in-vitro HFAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccccc1I ZINC000100875102 560761556 /nfs/dbraw/zinc/76/15/56/560761556.db2.gz HXQQFQMDFPILRO-KGLIPLIRSA-N -1 0 418.194 2.789 50 0 HFAARM CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)cc2Br)C[C@H]1C(=O)[O-] ZINC000169725279 560765754 /nfs/dbraw/zinc/76/57/54/560765754.db2.gz KAYBDMYTBVQOIO-AWEZNQCLSA-N -1 0 413.268 2.772 50 0 HFAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101096759 560785504 /nfs/dbraw/zinc/78/55/04/560785504.db2.gz RJJYGIJYNCRJQU-SJLPKXTDSA-N -1 0 411.845 2.864 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000101165851 560787304 /nfs/dbraw/zinc/78/73/04/560787304.db2.gz DWCYKJHNHGROFL-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)cc1C ZINC000101277495 560790293 /nfs/dbraw/zinc/79/02/93/560790293.db2.gz HSYFEQYNWIGBMI-QZTJIDSGSA-N -1 0 420.404 2.986 50 0 HFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)n1 ZINC000101270976 560790963 /nfs/dbraw/zinc/79/09/63/560790963.db2.gz VMYHMCYKNBEUFZ-IAGOWNOFSA-N -1 0 406.377 2.678 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccccc1Cl ZINC000101416107 560794601 /nfs/dbraw/zinc/79/46/01/560794601.db2.gz VCYKFFFQBRXXOI-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101417008 560794691 /nfs/dbraw/zinc/79/46/91/560794691.db2.gz XPAZJUQUPZABIZ-PMACEKPBSA-N -1 0 421.457 2.751 50 0 HFAARM CCOc1ccccc1[C@@H]1CC(c2c([O-])n(C)c(=S)n(C)c2=O)=NN1C(=O)CC ZINC000101495007 560796144 /nfs/dbraw/zinc/79/61/44/560796144.db2.gz ZOSWXQRJIQXNSZ-AWEZNQCLSA-N -1 0 416.503 2.645 50 0 HFAARM COc1ccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(C)cc2)cc1 ZINC000101583214 560797269 /nfs/dbraw/zinc/79/72/69/560797269.db2.gz LKAQWDNSINTINI-UHFFFAOYSA-N -1 0 403.442 2.890 50 0 HFAARM CCOc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)=NN1 ZINC000101763037 560800912 /nfs/dbraw/zinc/80/09/12/560800912.db2.gz SGPQURCRQBRBCI-KRWDZBQOSA-N -1 0 420.469 2.686 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000101893086 560804574 /nfs/dbraw/zinc/80/45/74/560804574.db2.gz XZRUOEKFEFOONB-HOTGVXAUSA-N -1 0 408.805 2.883 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Cl)c(Cl)c1 ZINC000102001444 560807206 /nfs/dbraw/zinc/80/72/06/560807206.db2.gz WWZMVQTZPIBEDI-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cc2[n-]c1=S ZINC000102181986 560808477 /nfs/dbraw/zinc/80/84/77/560808477.db2.gz RQABHDBGGJFMPO-CYBMUJFWSA-N -1 0 420.498 2.777 50 0 HFAARM O=C(Nc1ccc(I)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000102232458 560808898 /nfs/dbraw/zinc/80/88/98/560808898.db2.gz ZQNUQBBBUFKWMV-ZDUSSCGKSA-N -1 0 406.179 2.535 50 0 HFAARM O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000051316689 560856521 /nfs/dbraw/zinc/85/65/21/560856521.db2.gz AJBMGLFUVYJWTN-UHFFFAOYSA-N -1 0 421.438 2.568 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000049002786 568446156 /nfs/dbraw/zinc/44/61/56/568446156.db2.gz RCBYEWRYGDSUTI-MSOLQXFVSA-N -1 0 418.413 2.547 50 0 HFAARM COC(=O)C[C@@H](c1ccc(C(F)(F)F)cc1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000218140271 568475729 /nfs/dbraw/zinc/47/57/29/568475729.db2.gz HBVZGTTXTUDVQE-ZDUSSCGKSA-N -1 0 413.348 2.661 50 0 HFAARM COc1ccc(S(=O)(=O)N[C@@H](C)CCC(C)C)c([N-]S(=O)(=O)C(F)F)c1 ZINC000095445404 568611865 /nfs/dbraw/zinc/61/18/65/568611865.db2.gz SEBSPDPTQODPJQ-NSHDSACASA-N -1 0 414.496 2.763 50 0 HFAARM O=C([O-])C[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccc(OC(F)F)cc1 ZINC000095464075 568622363 /nfs/dbraw/zinc/62/23/63/568622363.db2.gz UMJPZHXYMHBLEG-KRWDZBQOSA-N -1 0 416.384 2.743 50 0 HFAARM CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Br)nc2)c2ccccc21 ZINC000225690465 568664540 /nfs/dbraw/zinc/66/45/40/568664540.db2.gz HUIHFDQRUAAVQE-UHFFFAOYSA-N -1 0 408.277 2.937 50 0 HFAARM Cc1c2c(cc(=O)n1CCCN1CCCC1=O)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012389657 568692324 /nfs/dbraw/zinc/69/23/24/568692324.db2.gz WXIVRVJMXWKSEN-UHFFFAOYSA-N -1 0 423.498 2.775 50 0 HFAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000096361251 568739103 /nfs/dbraw/zinc/73/91/03/568739103.db2.gz ILYYJZHONLKTKQ-UHFFFAOYSA-N -1 0 406.414 2.727 50 0 HFAARM COc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1OC ZINC000096361188 568739202 /nfs/dbraw/zinc/73/92/02/568739202.db2.gz DLLLOXSLKKBSHH-UHFFFAOYSA-N -1 0 420.422 2.619 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccccc2F)cc1 ZINC000096361277 568739360 /nfs/dbraw/zinc/73/93/60/568739360.db2.gz QPYMWJWMCHRHEG-UHFFFAOYSA-N -1 0 418.450 2.678 50 0 HFAARM O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000913171 568750265 /nfs/dbraw/zinc/75/02/65/568750265.db2.gz DPVFFTMWZGFSPS-UHFFFAOYSA-N -1 0 418.862 2.948 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)nc(OC)n1 ZINC000000939853 568752759 /nfs/dbraw/zinc/75/27/59/568752759.db2.gz FUSQLKCXGPTPEI-UHFFFAOYSA-N -1 0 420.491 2.813 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)ncn1 ZINC000000945072 568754374 /nfs/dbraw/zinc/75/43/74/568754374.db2.gz TUIBPJXNVIEXJU-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM Cc1cc(C)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000096562389 568760240 /nfs/dbraw/zinc/76/02/40/568760240.db2.gz BWXBZWKOPUTMTL-KRWDZBQOSA-N -1 0 422.478 2.901 50 0 HFAARM CCOC(=O)N=c1[n-]nc(S(=O)(=O)Cc2coc(-c3cccs3)n2)s1 ZINC000097164783 568769348 /nfs/dbraw/zinc/76/93/48/568769348.db2.gz VNIHXQKEIAVVRV-UHFFFAOYSA-N -1 0 400.463 2.797 50 0 HFAARM COc1ccc(Cl)c(S(=O)(=O)[N-]c2nc3ccc(Br)cn3n2)c1 ZINC000097164864 568769413 /nfs/dbraw/zinc/76/94/13/568769413.db2.gz SUNLKHDUXAPSIK-UHFFFAOYSA-N -1 0 417.672 2.955 50 0 HFAARM COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](CCSC)C(=O)[O-])cc1 ZINC000005916894 568829570 /nfs/dbraw/zinc/82/95/70/568829570.db2.gz PHBZWWGZALZZGN-KRWDZBQOSA-N -1 0 402.472 2.884 50 0 HFAARM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000006017174 568835396 /nfs/dbraw/zinc/83/53/96/568835396.db2.gz DCCZKHBJNYVEGB-UHFFFAOYSA-N -1 0 414.468 2.971 50 0 HFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cn1C ZINC000031668688 568929053 /nfs/dbraw/zinc/92/90/53/568929053.db2.gz AKUDFMVQLIMXSS-UHFFFAOYSA-N -1 0 417.462 2.904 50 0 HFAARM CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004084554 568939903 /nfs/dbraw/zinc/93/99/03/568939903.db2.gz HQXVTDCBDLRLTQ-MBOZVWFJSA-N -1 0 410.495 2.847 50 0 biogenic HFAARM CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000004120744 568944813 /nfs/dbraw/zinc/94/48/13/568944813.db2.gz FPNUTXWVSFZQFN-INIZCTEOSA-N -1 0 415.519 2.977 50 0 HFAARM CCOC(=O)[C@@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O ZINC000003830269 568986695 /nfs/dbraw/zinc/98/66/95/568986695.db2.gz XPCFTKFZXHTYIP-VQTJNVASSA-N -1 0 424.497 2.573 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(C)c1 ZINC000006729416 569102790 /nfs/dbraw/zinc/10/27/90/569102790.db2.gz ZZEUCFPIZWWQHY-WOJBJXKFSA-N -1 0 405.458 2.852 50 0 HFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1 ZINC000006770231 569116171 /nfs/dbraw/zinc/11/61/71/569116171.db2.gz QIJNGLDUBFFTBF-RTBURBONSA-N -1 0 409.421 2.881 50 0 HFAARM COc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c1 ZINC000036356910 569148607 /nfs/dbraw/zinc/14/86/07/569148607.db2.gz OBKPJGBWXQYIJP-NRFANRHFSA-N -1 0 423.469 2.833 50 0 HFAARM CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000036543865 569198210 /nfs/dbraw/zinc/19/82/10/569198210.db2.gz FAUIDMFIOTWXTC-KMFMINBZSA-N -1 0 418.494 2.833 50 0 HFAARM COc1cc(NC(=O)c2c([O-])c3cnn(-c4ccc(C)cc4)c3[nH]c2=O)cc(OC)c1 ZINC000065249977 569206026 /nfs/dbraw/zinc/20/60/26/569206026.db2.gz ULZOQHUCWNXDCY-UHFFFAOYSA-N -1 0 420.425 2.997 50 0 HFAARM C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1)C(=O)[O-] ZINC000037018991 569235195 /nfs/dbraw/zinc/23/51/95/569235195.db2.gz ZQCGHGAFFBLIBA-QKXCFHHRSA-N -1 0 422.437 2.791 50 0 HFAARM CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000071823913 569254492 /nfs/dbraw/zinc/25/44/92/569254492.db2.gz MYPOSBJISFCYEP-UHFFFAOYSA-N -1 0 418.240 2.877 50 0 HFAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)N4CCOCC4)cc3[n-]c2=S)cc1 ZINC000001133433 569277315 /nfs/dbraw/zinc/27/73/15/569277315.db2.gz QJIYTPMCZLSUTF-UHFFFAOYSA-N -1 0 411.483 2.588 50 0 HFAARM COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc2c1C ZINC000002098345 569281051 /nfs/dbraw/zinc/28/10/51/569281051.db2.gz YEZYVQLHXZTURW-SFHVURJKSA-N -1 0 409.438 2.773 50 0 biogenic HFAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002113451 569284123 /nfs/dbraw/zinc/28/41/23/569284123.db2.gz PPQASTLXSDLRGA-HNNXBMFYSA-N -1 0 403.456 2.939 50 0 biogenic HFAARM Cc1c(OCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000002153517 569290109 /nfs/dbraw/zinc/29/01/09/569290109.db2.gz GLDKPMYOZTVUJL-HXUWFJFHSA-N -1 0 407.422 2.911 50 0 biogenic HFAARM C[C@@H]1C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)[S-] ZINC000034272187 569357981 /nfs/dbraw/zinc/35/79/81/569357981.db2.gz GLAJUXBOZSWZMM-JYVUEXIRSA-N -1 0 412.498 2.739 50 0 HFAARM CN1CCN([C@H](c2ccc(Br)s2)c2sc3ncnn3c2[O-])CC1 ZINC000252491663 569387637 /nfs/dbraw/zinc/38/76/37/569387637.db2.gz LPWHDONUGOQGLX-LLVKDONJSA-N -1 0 414.354 2.657 50 0 HFAARM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000157682743 569398997 /nfs/dbraw/zinc/39/89/97/569398997.db2.gz ZXWGKTNAYMLEAB-AWEZNQCLSA-N -1 0 415.467 2.509 50 0 HFAARM CCCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C ZINC000013365570 569412207 /nfs/dbraw/zinc/41/22/07/569412207.db2.gz XJCOXVLWLMHPSC-UHFFFAOYSA-N -1 0 400.508 2.862 50 0 HFAARM CCOC(=O)N1CCN(C(=O)CCCCn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000008661831 571099657 /nfs/dbraw/zinc/09/96/57/571099657.db2.gz DZCKCVPKNNUAHS-UHFFFAOYSA-N -1 0 424.548 2.592 50 0 HFAARM CCc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)s1 ZINC000008917169 571153230 /nfs/dbraw/zinc/15/32/30/571153230.db2.gz KQXGUMFOKFQRCK-UHFFFAOYSA-N -1 0 423.907 2.770 50 0 HFAARM O=C(NCc1nnc2ccccn21)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040143880 571194463 /nfs/dbraw/zinc/19/44/63/571194463.db2.gz DELPSXVNJYGYKG-UHFFFAOYSA-N -1 0 413.484 2.522 50 0 HFAARM CC[C@@H](C)[C@H](NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-] ZINC000008971961 571197210 /nfs/dbraw/zinc/19/72/10/571197210.db2.gz JVACKGHJWHDABG-RMYJWEKJSA-N -1 0 415.490 2.524 50 0 HFAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000009253050 571242771 /nfs/dbraw/zinc/24/27/71/571242771.db2.gz WTSXYMBTQNCHKO-XFNCEPBJSA-N -1 0 406.435 2.718 50 0 HFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)NCCc1ccc(Cl)cc1 ZINC000009530231 571266814 /nfs/dbraw/zinc/26/68/14/571266814.db2.gz BDYJUWRRRFLPFB-UHFFFAOYSA-N -1 0 409.920 2.902 50 0 HFAARM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000009588900 571271618 /nfs/dbraw/zinc/27/16/18/571271618.db2.gz SUMNMXJBFOKNCI-UHFFFAOYSA-N -1 0 419.322 2.500 50 0 HFAARM O=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009601633 571273043 /nfs/dbraw/zinc/27/30/43/571273043.db2.gz YRYYLHFNVLKHGV-UHFFFAOYSA-N -1 0 414.559 2.718 50 0 HFAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000009837463 571287963 /nfs/dbraw/zinc/28/79/63/571287963.db2.gz ZAEFKBAALWCNRM-MOPGFXCFSA-N -1 0 422.441 2.592 50 0 HFAARM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000328594460 571317260 /nfs/dbraw/zinc/31/72/60/571317260.db2.gz LMGJWVOXVOWSTD-HOTGVXAUSA-N -1 0 420.465 2.943 50 0 HFAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1F ZINC000005144810 132303247 /nfs/dbraw/zinc/30/32/47/132303247.db2.gz ZIJAMTQJEOGCKJ-UHFFFAOYSA-N -1 0 414.462 2.920 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)N(C(C)=O)CCO3)c(OC)c1 ZINC000006779592 132315850 /nfs/dbraw/zinc/31/58/50/132315850.db2.gz SFAAZZODWLXQBW-UHFFFAOYSA-N -1 0 406.460 2.558 50 0 HFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)C4CCCC4)CC3)cc21 ZINC000008156427 132327942 /nfs/dbraw/zinc/32/79/42/132327942.db2.gz DPXWKVOJNXTUKN-UHFFFAOYSA-N -1 0 415.465 2.698 50 0 HFAARM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000882256 520750341 /nfs/dbraw/zinc/75/03/41/520750341.db2.gz BRATWIAGEUUOTN-CVEARBPZSA-N -1 0 418.490 2.926 50 0 HFAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000032947048 521196547 /nfs/dbraw/zinc/19/65/47/521196547.db2.gz VIMDTDDPUJSOIW-UHFFFAOYSA-N -1 0 424.501 2.802 50 0 HFAARM CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(c2ccccc2Cl)CC1 ZINC000032961775 525214374 /nfs/dbraw/zinc/21/43/74/525214374.db2.gz KUUFNSUUYTWTHE-UHFFFAOYSA-N -1 0 409.895 2.736 50 0 HFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1 ZINC000040286488 526305985 /nfs/dbraw/zinc/30/59/85/526305985.db2.gz KECAHVRBIXWSRZ-ICSRJNTNSA-N -1 0 408.433 2.902 50 0 HFAARM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000000790924 557081320 /nfs/dbraw/zinc/08/13/20/557081320.db2.gz NJGSAMCIIPNRBH-UHFFFAOYSA-N -1 0 413.455 2.909 50 0 HFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1COc2ccccc2O1 ZINC000000913120 557117012 /nfs/dbraw/zinc/11/70/12/557117012.db2.gz VUQSIXJQUSJEHO-INIZCTEOSA-N -1 0 417.468 2.722 50 0 HFAARM COc1cc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[n-]2)ccc1OC(C)C ZINC000034765913 557462170 /nfs/dbraw/zinc/46/21/70/557462170.db2.gz ASHBRORZBKHFEK-UHFFFAOYSA-N -1 0 400.479 2.985 50 0 HFAARM O=C(CCc1nnc(-c2ccc(F)c(F)c2)[n-]c1=O)NCCOc1ccccc1 ZINC000034768373 557462992 /nfs/dbraw/zinc/46/29/92/557462992.db2.gz PCVNSDSRKVENHV-UHFFFAOYSA-N -1 0 400.385 2.650 50 0 HFAARM CCn1cc(Br)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCC4)n1 ZINC000002777511 557761004 /nfs/dbraw/zinc/76/10/04/557761004.db2.gz FOMDZPCOSGBIEI-UHFFFAOYSA-N -1 0 422.308 2.618 50 0 HFAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O)N1CCOCC1 ZINC000002969722 557774894 /nfs/dbraw/zinc/77/48/94/557774894.db2.gz PHLWUMBWZYUOCD-UHFFFAOYSA-N -1 0 415.902 2.859 50 0 HFAARM CCCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1=O ZINC000009356482 557839078 /nfs/dbraw/zinc/83/90/78/557839078.db2.gz OUNRQBJXGMNUOE-ZDUSSCGKSA-N -1 0 422.532 2.531 50 0 HFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000009748180 557849421 /nfs/dbraw/zinc/84/94/21/557849421.db2.gz XZALHIMKSXCTOS-RTBURBONSA-N -1 0 423.498 2.957 50 0 HFAARM CC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020290251 558353817 /nfs/dbraw/zinc/35/38/17/558353817.db2.gz RVGXHVROOQKNQY-HMMYKYKNSA-N -1 0 402.454 2.853 50 0 HFAARM Cc1c(NC(=O)COc2ccccc2/C=C/C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000012394642 558397262 /nfs/dbraw/zinc/39/72/62/558397262.db2.gz RKFXHFLSLUNCLX-OUKQBFOZSA-N -1 0 407.426 2.600 50 0 HFAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000013002778 558501136 /nfs/dbraw/zinc/50/11/36/558501136.db2.gz YXJCJVHVFFEZGH-DLBZAZTESA-N -1 0 406.504 2.775 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022960680 558528045 /nfs/dbraw/zinc/52/80/45/558528045.db2.gz BAZIKIBAAHOQAA-GASCZTMLSA-N -1 0 404.488 2.745 50 0 HFAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1F ZINC000013362619 558530585 /nfs/dbraw/zinc/53/05/85/558530585.db2.gz WCNNUQWIOUSNAR-UHFFFAOYSA-N -1 0 414.842 2.815 50 0 HFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nncn1-c1ccccc1 ZINC000013411603 558532078 /nfs/dbraw/zinc/53/20/78/558532078.db2.gz SAUATPTYSPLCAP-SFHVURJKSA-N -1 0 421.482 2.653 50 0 HFAARM CCCNC(=O)c1ccc(Cn2c(=O)c3ccc(C(=O)OC)cc3[n-]c2=S)cc1 ZINC000032959324 558755220 /nfs/dbraw/zinc/75/52/20/558755220.db2.gz HRSCVXFHOJYSHS-UHFFFAOYSA-N -1 0 411.483 2.660 50 0 HFAARM O=C(NC[C@@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115293 558761461 /nfs/dbraw/zinc/76/14/61/558761461.db2.gz XIOXQKYFUIMEJH-INIZCTEOSA-N -1 0 406.529 2.876 50 0 HFAARM CCOC(=O)N1CCN([C@@H](c2cccs2)c2sc3nc(CC)nn3c2[O-])CC1 ZINC000004585091 558780225 /nfs/dbraw/zinc/78/02/25/558780225.db2.gz LNZIBNZHOKPAMP-AWEZNQCLSA-N -1 0 421.548 2.984 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@H](C)O)cc1 ZINC000033014486 558833891 /nfs/dbraw/zinc/83/38/91/558833891.db2.gz URLQHQSEXUIPBN-ZDUSSCGKSA-N -1 0 402.476 2.622 50 0 HFAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000001204226 558838379 /nfs/dbraw/zinc/83/83/79/558838379.db2.gz KPBALWDVDNUOBT-NTUHNPAUSA-N -1 0 404.781 2.874 50 0 HFAARM O=C(Cn1c([O-])nc2c(-c3ccccc3F)c[nH]c2c1=O)NCCc1ccccc1 ZINC000033038069 558862607 /nfs/dbraw/zinc/86/26/07/558862607.db2.gz ZHSQTMZDMGTJQQ-UHFFFAOYSA-N -1 0 406.417 2.595 50 0 HFAARM Cc1ccc(NC(=O)[C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ccccc3Cl)C2)cn1 ZINC000072130980 558928532 /nfs/dbraw/zinc/92/85/32/558928532.db2.gz FDNAMVSBZNFVHT-KGLIPLIRSA-N -1 0 401.850 2.845 50 0 HFAARM COc1ccc(-c2csc(NC(=O)[C@@H](CC(=O)[O-])NCc3ccco3)n2)cc1 ZINC000072334059 558935327 /nfs/dbraw/zinc/93/53/27/558935327.db2.gz PPMRVSVZTNPRSX-OAHLLOKOSA-N -1 0 401.444 2.983 50 0 HFAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000097940957 558945962 /nfs/dbraw/zinc/94/59/62/558945962.db2.gz AMQGWUYGTFVZCY-UHFFFAOYSA-N -1 0 406.439 2.928 50 0 HFAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc21 ZINC000021756804 558948343 /nfs/dbraw/zinc/94/83/43/558948343.db2.gz ZJSYKXRHFNIZHJ-UHFFFAOYSA-N -1 0 404.488 2.730 50 0 HFAARM O=C([O-])[C@@]1(CC(=O)Nc2cccc3nsnc32)CC(c2ccc(F)cc2)=NO1 ZINC000072404850 558981877 /nfs/dbraw/zinc/98/18/77/558981877.db2.gz CGVDJWXOJXXIRE-SFHVURJKSA-N -1 0 400.391 2.807 50 0 HFAARM O=C([O-])CCN(CC1CC1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000097017887 558988048 /nfs/dbraw/zinc/98/80/48/558988048.db2.gz LBOSLDHIZUZWEL-UHFFFAOYSA-N -1 0 401.484 2.987 50 0 HFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CCN(C(=O)NCc2ccco2)C4)cc1 ZINC000097097357 558992401 /nfs/dbraw/zinc/99/24/01/558992401.db2.gz QFXKPAZGXGGZSG-UHFFFAOYSA-N -1 0 419.441 2.559 50 0 HFAARM COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)c2cccc(C)n2)C3)cc1 ZINC000067772995 558992629 /nfs/dbraw/zinc/99/26/29/558992629.db2.gz MWWVARGKLGEHHC-UHFFFAOYSA-N -1 0 420.469 2.735 50 0 HFAARM O=C(c1n[nH]c2ccccc21)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097112205 558995496 /nfs/dbraw/zinc/99/54/96/558995496.db2.gz DSJQIWDOOBSBPR-UHFFFAOYSA-N -1 0 410.437 2.764 50 0 HFAARM COC(CNC(=O)CCCn1c(=O)c2sc3ccccc3c2[n-]c1=S)OC ZINC000004793202 559065806 /nfs/dbraw/zinc/06/58/06/559065806.db2.gz NVBUEFPKSLRHCD-UHFFFAOYSA-N -1 0 407.517 2.789 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000100032953 559128840 /nfs/dbraw/zinc/12/88/40/559128840.db2.gz CHQZRUPKZGDWST-VQTJNVASSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)cc1 ZINC000100033182 559128928 /nfs/dbraw/zinc/12/89/28/559128928.db2.gz YNVBAMHOAFRANN-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)c1 ZINC000100036684 559129012 /nfs/dbraw/zinc/12/90/12/559129012.db2.gz CXLORWIJDCCPNE-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3)c(O)c12 ZINC000100573256 559136778 /nfs/dbraw/zinc/13/67/78/559136778.db2.gz CPPNKJORYDIDHX-DOTOQJQBSA-N -1 0 412.243 2.772 50 0 HFAARM COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000005075815 559241048 /nfs/dbraw/zinc/24/10/48/559241048.db2.gz OOYYSHLLQUHCEL-UHFFFAOYSA-N -1 0 410.517 2.653 50 0 HFAARM COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000005075825 559241059 /nfs/dbraw/zinc/24/10/59/559241059.db2.gz SRWDSFRAHNAPNT-UHFFFAOYSA-N -1 0 416.908 2.689 50 0 HFAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3OC)[n-]c2=O)cc1 ZINC000005154676 559254341 /nfs/dbraw/zinc/25/43/41/559254341.db2.gz DVIXXXHETOSYPT-UHFFFAOYSA-N -1 0 412.471 2.504 50 0 HFAARM COC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101155357 560787107 /nfs/dbraw/zinc/78/71/07/560787107.db2.gz HJLSPDPFMNFHQY-SJLPKXTDSA-N -1 0 411.845 2.864 50 0 HFAARM COC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101155367 560787157 /nfs/dbraw/zinc/78/71/57/560787157.db2.gz HJLSPDPFMNFHQY-WMZOPIPTSA-N -1 0 411.845 2.864 50 0 HFAARM Cc1ccc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000101169450 560787735 /nfs/dbraw/zinc/78/77/35/560787735.db2.gz GHDAKEGSCLZKDM-UXHICEINSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1C ZINC000101169471 560787743 /nfs/dbraw/zinc/78/77/43/560787743.db2.gz QTNRYJHUERNZRS-WOJBJXKFSA-N -1 0 405.458 2.852 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1OC ZINC000101170652 560787929 /nfs/dbraw/zinc/78/79/29/560787929.db2.gz ITXOCTCREZULFM-SJORKVTESA-N -1 0 400.822 2.851 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000101352859 560792033 /nfs/dbraw/zinc/79/20/33/560792033.db2.gz YBGCZUSBVRXBGK-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101352907 560792134 /nfs/dbraw/zinc/79/21/34/560792134.db2.gz 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Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)n1 ZINC000101893589 560804591 /nfs/dbraw/zinc/80/45/91/560804591.db2.gz PWDGKLFNASUVCV-DLBZAZTESA-N -1 0 406.377 2.678 50 0 HFAARM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000102289559 560809648 /nfs/dbraw/zinc/80/96/48/560809648.db2.gz BABFPRKIQXYLCQ-IRXDYDNUSA-N -1 0 413.499 2.866 50 0 HFAARM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000102288430 560809657 /nfs/dbraw/zinc/80/96/57/560809657.db2.gz OZGCFEZHQXYZAK-QZTJIDSGSA-N -1 0 413.499 2.866 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000101277610 560851715 /nfs/dbraw/zinc/85/17/15/560851715.db2.gz RCBYEWRYGDSUTI-ROUUACIJSA-N -1 0 418.413 2.547 50 0 HFAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000047521432 560891168 /nfs/dbraw/zinc/89/11/68/560891168.db2.gz PYQKNIHKYPQKEJ-UHFFFAOYSA-N -1 0 403.460 2.886 50 0 HFAARM Cc1ccc(C)c([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1 ZINC000085808753 568442476 /nfs/dbraw/zinc/44/24/76/568442476.db2.gz KDRBWRFHTMZYHA-UHFFFAOYSA-N -1 0 415.475 2.718 50 0 HFAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)c1 ZINC000049002690 568446136 /nfs/dbraw/zinc/44/61/36/568446136.db2.gz VOJPFSXZPYTVJL-MSOLQXFVSA-N -1 0 418.413 2.547 50 0 HFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CSCc2nc3ccccc3[nH]2)c1 ZINC000012323646 568471488 /nfs/dbraw/zinc/47/14/88/568471488.db2.gz KHVRXJHOVKGONC-UHFFFAOYSA-N -1 0 405.501 2.934 50 0 HFAARM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000024957794 568514580 /nfs/dbraw/zinc/51/45/80/568514580.db2.gz PGHXRPVCEGWTQI-UHFFFAOYSA-N -1 0 400.250 2.802 50 0 HFAARM O=S(=O)([N-]CCN1CCc2sccc2C1)c1c(F)c(F)c(F)c(F)c1F ZINC000095431114 568609164 /nfs/dbraw/zinc/60/91/64/568609164.db2.gz MGXHNQFMINEYER-UHFFFAOYSA-N -1 0 412.405 2.780 50 0 HFAARM COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c([N-]S(=O)(=O)C(F)F)c1 ZINC000095445381 568611765 /nfs/dbraw/zinc/61/17/65/568611765.db2.gz HXQSLOZTVZLRLS-UHFFFAOYSA-N -1 0 410.395 2.599 50 0 HFAARM CCOc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)[O-])cc(c43)C2=O)cc1 ZINC000095470977 568626451 /nfs/dbraw/zinc/62/64/51/568626451.db2.gz BMKNPFSBJQPYBC-UHFFFAOYSA-N -1 0 412.423 2.868 50 0 HFAARM O=S(=O)([N-]c1ncn(Cc2ccccn2)n1)c1c(Cl)cc(F)cc1Cl ZINC000225495196 568643227 /nfs/dbraw/zinc/64/32/27/568643227.db2.gz OONRZAJGNUKINN-UHFFFAOYSA-N -1 0 402.238 2.968 50 0 HFAARM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000225525141 568647101 /nfs/dbraw/zinc/64/71/01/568647101.db2.gz ASGJDFSOIJVHSD-CYBMUJFWSA-N -1 0 414.439 2.630 50 0 HFAARM CCOc1cccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000096361246 568739162 /nfs/dbraw/zinc/73/91/62/568739162.db2.gz WXAGHZDENSWUTM-UHFFFAOYSA-N -1 0 414.487 2.848 50 0 HFAARM COc1cc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc(OC)c1 ZINC000096361189 568739168 /nfs/dbraw/zinc/73/91/68/568739168.db2.gz JEIXLNXNNFGEBT-UHFFFAOYSA-N -1 0 420.422 2.619 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(F)cc2)cc1 ZINC000096361278 568739351 /nfs/dbraw/zinc/73/93/51/568739351.db2.gz KNIZAODGLGLMBJ-UHFFFAOYSA-N -1 0 418.450 2.678 50 0 HFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1 ZINC000000896684 568748553 /nfs/dbraw/zinc/74/85/53/568748553.db2.gz BFYSIYWEMZAFCB-INIZCTEOSA-N -1 0 423.288 2.905 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1Cl ZINC000021778209 568752522 /nfs/dbraw/zinc/75/25/22/568752522.db2.gz KKIUKGZKRXDUTM-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(C)c1 ZINC000000942858 568753727 /nfs/dbraw/zinc/75/37/27/568753727.db2.gz YYWZOXHTVGUXHE-UHFFFAOYSA-N -1 0 412.471 2.912 50 0 HFAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccc(F)cc1 ZINC000086066880 568755216 /nfs/dbraw/zinc/75/52/16/568755216.db2.gz CTZPRKYKGPBPKJ-UHFFFAOYSA-N -1 0 407.405 2.721 50 0 HFAARM O=C(c1ccco1)N1CCN([C@H](c2cccs2)c2sc3ncnn3c2[O-])CC1 ZINC000022610226 568771970 /nfs/dbraw/zinc/77/19/70/568771970.db2.gz SBHHTEODLJLNJA-CQSZACIVSA-N -1 0 415.500 2.698 50 0 HFAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000225605822 568776003 /nfs/dbraw/zinc/77/60/03/568776003.db2.gz LJKYFUGLYLTJRC-UHFFFAOYSA-N -1 0 410.459 2.916 50 0 HFAARM CCn1cc(S(=O)(=O)[N-]c2ncn(Cc3c(Cl)cccc3Cl)n2)cn1 ZINC000002804075 568811316 /nfs/dbraw/zinc/81/13/16/568811316.db2.gz LULBUICJUFRIKY-UHFFFAOYSA-N -1 0 401.279 2.650 50 0 HFAARM O=C([O-])COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1 ZINC000299785821 568875483 /nfs/dbraw/zinc/87/54/83/568875483.db2.gz NVJASHBGNCOPGB-UHFFFAOYSA-N -1 0 404.470 2.929 50 0 HFAARM CCOC(=O)c1ccc(NC(=S)[N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000003529771 568912689 /nfs/dbraw/zinc/91/26/89/568912689.db2.gz SKAKSAZNLPJQLA-UHFFFAOYSA-N -1 0 408.501 2.937 50 0 HFAARM O=C(COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1)NC1CCCC1 ZINC000016623105 568928089 /nfs/dbraw/zinc/92/80/89/568928089.db2.gz IVRNKSRPFASURC-UHFFFAOYSA-N -1 0 409.895 2.973 50 0 HFAARM COc1cc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n(C)c2c(OC)c1OC ZINC000004000223 568932192 /nfs/dbraw/zinc/93/21/92/568932192.db2.gz CCZQLNQTGZIAHB-HNNXBMFYSA-N -1 0 412.442 2.630 50 0 biogenic HFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)[O-] ZINC000004085015 568940171 /nfs/dbraw/zinc/94/01/71/568940171.db2.gz VUXPFBKNAUETSW-NQCMUKECSA-N -1 0 408.454 2.632 50 0 biogenic HFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cnn(C)c2)ccc1C ZINC000008075159 568972095 /nfs/dbraw/zinc/97/20/95/568972095.db2.gz QEKPTXHUXJBCFF-UHFFFAOYSA-N -1 0 400.460 2.790 50 0 HFAARM COc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000016024859 569026271 /nfs/dbraw/zinc/02/62/71/569026271.db2.gz XMPLGFOXEZDRKA-UHFFFAOYSA-N -1 0 412.471 2.857 50 0 HFAARM O=C([O-])[C@@H](c1c[nH]c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc21)[NH+]1CCCC1 ZINC000245255246 569055456 /nfs/dbraw/zinc/05/54/56/569055456.db2.gz GIYLVYAWFBHSBT-QMTMVMCOSA-N -1 0 411.458 2.995 50 0 HFAARM CCn1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)n1 ZINC000006490168 569059697 /nfs/dbraw/zinc/05/96/97/569059697.db2.gz ILTWEKZMISJMBQ-SMELUJQZSA-N -1 0 402.495 2.651 50 0 HFAARM COc1ccc(CCNC(=O)CCc2n[n-]c(-c3cccc(Cl)c3)nc2=O)cc1 ZINC000035922967 569066307 /nfs/dbraw/zinc/06/63/07/569066307.db2.gz IHQJHZXSZWOHPQ-UHFFFAOYSA-N -1 0 412.877 2.785 50 0 HFAARM CC1(C)Cc2c(sc(NC(=O)C(=O)NCCc3ccccc3)c2C(=O)[O-])CO1 ZINC000006669983 569086623 /nfs/dbraw/zinc/08/66/23/569086623.db2.gz UOISBAAJPZGZBY-UHFFFAOYSA-N -1 0 402.472 2.595 50 0 HFAARM C[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000006778363 569118842 /nfs/dbraw/zinc/11/88/42/569118842.db2.gz TZTGBDPAFCZQKD-LBPRGKRZSA-N -1 0 404.473 2.745 50 0 HFAARM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)o1)N1CCCC1 ZINC000065098784 569176892 /nfs/dbraw/zinc/17/68/92/569176892.db2.gz DGVAWQSAWLWEGI-UHFFFAOYSA-N -1 0 422.463 2.974 50 0 HFAARM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c(OC)c1 ZINC000006974055 569192988 /nfs/dbraw/zinc/19/29/88/569192988.db2.gz STVYKXCZOYEKPQ-UHFFFAOYSA-N -1 0 411.823 2.501 50 0 HFAARM CS(=O)(=O)C[C@H](NC(=O)c1cc(F)cc(Br)c1[O-])c1ccccc1 ZINC000170610337 569245277 /nfs/dbraw/zinc/24/52/77/569245277.db2.gz LOXCAWMMTNREAT-AWEZNQCLSA-N -1 0 416.268 2.810 50 0 HFAARM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1N ZINC000170617712 569247899 /nfs/dbraw/zinc/24/78/99/569247899.db2.gz QRGJDBYTLJAPPW-UHFFFAOYSA-N -1 0 424.331 2.627 50 0 HFAARM O=C([O-])CC[C@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000170620097 569248686 /nfs/dbraw/zinc/24/86/86/569248686.db2.gz DSTVMMVIIDVYFB-JOCHJYFZSA-N -1 0 402.410 2.630 50 0 HFAARM COc1ccc(CCNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1OC ZINC000170624729 569249551 /nfs/dbraw/zinc/24/95/51/569249551.db2.gz VCSILFXXHXNIGQ-CYBMUJFWSA-N -1 0 408.454 2.814 50 0 HFAARM Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C=CC(=O)[O-])cc3)C2=O)cc1 ZINC000017088477 569273965 /nfs/dbraw/zinc/27/39/65/569273965.db2.gz FLYAXAKEAXYYQK-DVQDXYAYSA-N -1 0 410.451 2.999 50 0 HFAARM CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002103810 569281958 /nfs/dbraw/zinc/28/19/58/569281958.db2.gz DIZVZIUONBZKTN-HIFRSBDPSA-N -1 0 407.488 2.808 50 0 biogenic HFAARM Cc1c(OCC(=O)NCCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002105462 569282974 /nfs/dbraw/zinc/28/29/74/569282974.db2.gz GDRMDJYTJGDSGS-UHFFFAOYSA-N -1 0 409.438 2.970 50 0 biogenic HFAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12 ZINC000002115911 569284656 /nfs/dbraw/zinc/28/46/56/569284656.db2.gz XKWIGXQMWGOIPC-KRWDZBQOSA-N -1 0 415.829 2.946 50 0 biogenic HFAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-])ccc12 ZINC000002147990 569289841 /nfs/dbraw/zinc/28/98/41/569289841.db2.gz ZHUNDGFEUMJLEA-WFASDCNBSA-N -1 0 407.488 2.754 50 0 biogenic HFAARM Cc1noc(C)c1N(C)S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000170653921 569295413 /nfs/dbraw/zinc/29/54/13/569295413.db2.gz NJWFPGHWUMSCLT-UHFFFAOYSA-N -1 0 407.217 2.716 50 0 HFAARM C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)[S-] ZINC000034272186 569357990 /nfs/dbraw/zinc/35/79/90/569357990.db2.gz GLAJUXBOZSWZMM-UQQNBRRASA-N -1 0 412.498 2.739 50 0 HFAARM Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c(C)c1C ZINC000013262015 569410423 /nfs/dbraw/zinc/41/04/23/569410423.db2.gz HZIYMVPYSGYHIC-UHFFFAOYSA-N -1 0 404.488 2.844 50 0 HFAARM COc1ccc(S(=O)(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000079001712 569423489 /nfs/dbraw/zinc/42/34/89/569423489.db2.gz GEGGAMGRJWEGCX-AREMUKBSSA-N -1 0 423.390 2.822 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccccc2F)cc1 ZINC000067245470 571054112 /nfs/dbraw/zinc/05/41/12/571054112.db2.gz SRECQTLCPFOBQC-UHFFFAOYSA-N -1 0 404.423 2.919 50 0 HFAARM O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000008517812 571067843 /nfs/dbraw/zinc/06/78/43/571067843.db2.gz VVDWPNZFFDZZHW-UHFFFAOYSA-N -1 0 407.813 2.723 50 0 HFAARM O=S(=O)(Cc1noc2ccccc21)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000245039177 571212360 /nfs/dbraw/zinc/21/23/60/571212360.db2.gz OJAQGPNFTRJXEU-SFHVURJKSA-N -1 0 404.469 2.838 50 0 HFAARM O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245285367 571223024 /nfs/dbraw/zinc/22/30/24/571223024.db2.gz WSIURMSQJFOLFO-CTYIDZIISA-N -1 0 403.866 2.571 50 0 HFAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000009116888 571224593 /nfs/dbraw/zinc/22/45/93/571224593.db2.gz RGDHXVSSJANBAK-UHFFFAOYSA-N -1 0 418.269 2.767 50 0 HFAARM CN1OC[C@H](S(=O)(=O)NC[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000245330003 571225494 /nfs/dbraw/zinc/22/54/94/571225494.db2.gz WMVPPUYIGHGOGE-PCCBWWKXSA-N -1 0 418.515 2.864 50 0 HFAARM O=C(NCCOc1cccc(Br)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000069455221 571228317 /nfs/dbraw/zinc/22/83/17/571228317.db2.gz OCTRLAYLNWWHFL-UHFFFAOYSA-N -1 0 420.288 2.783 50 0 HFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1nnn[n-]1)OC1(CCCCC1)CC3 ZINC000009183844 571234551 /nfs/dbraw/zinc/23/45/51/571234551.db2.gz AQPWOXNBJMROJP-UHFFFAOYSA-N -1 0 409.446 2.824 50 0 HFAARM Cc1nn(CC(C)C)c2sc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cc12 ZINC000009217174 571237550 /nfs/dbraw/zinc/23/75/50/571237550.db2.gz YQHVPEUWJGEEQD-UHFFFAOYSA-N -1 0 403.508 2.962 50 0 HFAARM Cc1nn(-c2ccccc2)c2[nH]c3nc(=O)[n-]c(=O)c-3c(-c3ccc4c(c3)OCO4)c12 ZINC000009576114 571269692 /nfs/dbraw/zinc/26/96/92/571269692.db2.gz ZOJZATIVGXOXPB-UHFFFAOYSA-N -1 0 413.393 2.654 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccccc1Cl ZINC000009674501 571278883 /nfs/dbraw/zinc/27/88/83/571278883.db2.gz RMDWFEUIHCOEQT-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCc1cccnc1 ZINC000009818661 571286126 /nfs/dbraw/zinc/28/61/26/571286126.db2.gz LAOOKOKOZWQQRN-UHFFFAOYSA-N -1 0 422.919 2.851 50 0 HFAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1F ZINC000005144767 132303251 /nfs/dbraw/zinc/30/32/51/132303251.db2.gz VYYNYWHQKUUKGD-UHFFFAOYSA-N -1 0 414.462 2.920 50 0 HFAARM COc1cc(CNC(C)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1 ZINC000005625999 132307183 /nfs/dbraw/zinc/30/71/83/132307183.db2.gz PLDQMACRNSXFRT-XMHGGMMESA-N -1 0 409.442 2.659 50 0 HFAARM Cc1ccc(NC(=O)c2cc(NC(=O)/C=C\C(=O)[O-])ccc2N2CCOCC2)cc1 ZINC000005931974 132308534 /nfs/dbraw/zinc/30/85/34/132308534.db2.gz LJUOTQORPIQYJS-HJWRWDBZSA-N -1 0 409.442 2.663 50 0 HFAARM Cc1nn(-c2ccc(N3CCN(c4ccccc4)CC3)nn2)c(C)c1CCC(=O)[O-] ZINC000013366093 132455581 /nfs/dbraw/zinc/45/55/81/132455581.db2.gz OHLDWDWDZHYTRX-UHFFFAOYSA-N -1 0 406.490 2.623 50 0 HFAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)[n-]c2=O)cc1 ZINC000032778618 523260796 /nfs/dbraw/zinc/26/07/96/523260796.db2.gz SVJLLEQHAGBSNG-UHFFFAOYSA-N -1 0 412.427 2.712 50 0 HFAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1C ZINC000032962231 524325053 /nfs/dbraw/zinc/32/50/53/524325053.db2.gz AHTLIIYMIAORHZ-UHFFFAOYSA-N -1 0 404.488 2.947 50 0 HFAARM Cc1ccc([C@H](C(=O)[O-])N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000032801326 525875796 /nfs/dbraw/zinc/87/57/96/525875796.db2.gz SMFKWTQRQFFWMP-HXUWFJFHSA-N -1 0 402.516 2.744 50 0 HFAARM O=C([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ccc(COCC(F)(F)F)cc1 ZINC000042281729 526852929 /nfs/dbraw/zinc/85/29/29/526852929.db2.gz NZMXHCBYYLUFLK-UHFFFAOYSA-N -1 0 408.785 2.933 50 0 HFAARM O=C(COc1ccccc1)N1CCC(C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000043956466 526981740 /nfs/dbraw/zinc/98/17/40/526981740.db2.gz KSUDDEQUICKTJG-UHFFFAOYSA-N -1 0 424.469 2.561 50 0 HFAARM O=C([O-])COCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000044124313 527613560 /nfs/dbraw/zinc/61/35/60/527613560.db2.gz PJXMZYYAPKARJF-OAQYLSRUSA-N -1 0 402.878 2.675 50 0 HFAARM O=C([O-])c1ccc(CNC(=O)COc2ccc(I)cc2)cc1 ZINC000000693097 557061491 /nfs/dbraw/zinc/06/14/91/557061491.db2.gz HUTQOEFCTFRMCQ-UHFFFAOYSA-N -1 0 411.195 2.685 50 0 HFAARM COc1nc(C)cnc1[N-]S(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1 ZINC000001491485 557270042 /nfs/dbraw/zinc/27/00/42/557270042.db2.gz FJHHZXWJVIEFGJ-UHFFFAOYSA-N -1 0 424.442 2.706 50 0 investigational HFAARM CC(C)OC(=O)NC([N-]c1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F ZINC000002266004 557332858 /nfs/dbraw/zinc/33/28/58/557332858.db2.gz XJZZWEONYDKGBF-UHFFFAOYSA-N -1 0 423.335 2.701 50 0 HFAARM CCCCOc1ccc(-c2nnc(CCC(=O)NC[C@H]3CCCO3)c(=O)[n-]2)cc1 ZINC000034763332 557460665 /nfs/dbraw/zinc/46/06/65/557460665.db2.gz XLSDNDGRAQTGCB-QGZVFWFLSA-N -1 0 400.479 2.651 50 0 HFAARM CC(C)COc1ccc(-c2nnc(CCC(=O)NCCc3ccccn3)c(=O)[n-]2)cc1 ZINC000034763942 557461079 /nfs/dbraw/zinc/46/10/79/557461079.db2.gz ZAJSOTSRFUKQPL-UHFFFAOYSA-N -1 0 421.501 2.966 50 0 HFAARM CC1=C(C)C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@@H](C(=O)[O-])C1 ZINC000004818908 557602047 /nfs/dbraw/zinc/60/20/47/557602047.db2.gz FFCAWQQEPFXANX-ROUUACIJSA-N -1 0 400.475 2.507 50 0 HFAARM COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)[O-])cc1 ZINC000006624413 557710908 /nfs/dbraw/zinc/71/09/08/557710908.db2.gz ITGGGKCDGOWUFJ-NRFANRHFSA-N -1 0 414.458 2.844 50 0 biogenic HFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1Cl ZINC000006672383 557713666 /nfs/dbraw/zinc/71/36/66/557713666.db2.gz GZCCYQFXXNVSDA-UHFFFAOYSA-N -1 0 410.879 2.622 50 0 HFAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000012427791 558403519 /nfs/dbraw/zinc/40/35/19/558403519.db2.gz RATQUURTAUJNKD-UHFFFAOYSA-N -1 0 419.434 2.579 50 0 HFAARM COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000012992820 558497042 /nfs/dbraw/zinc/49/70/42/558497042.db2.gz HSTWVJJQZURYKD-ZBFHGGJFSA-N -1 0 416.861 2.514 50 0 HFAARM COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000012992821 558497127 /nfs/dbraw/zinc/49/71/27/558497127.db2.gz HSTWVJJQZURYKD-GOEBONIOSA-N -1 0 416.861 2.514 50 0 HFAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000013040249 558506821 /nfs/dbraw/zinc/50/68/21/558506821.db2.gz JKXKGJCNOPIQCE-ZDUSSCGKSA-N -1 0 419.503 2.983 50 0 HFAARM COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc([N-]S(C)(=O)=O)nc3N2)cc1 ZINC000013123185 558517898 /nfs/dbraw/zinc/51/78/98/558517898.db2.gz UUPPZSRCKSMNLG-SJORKVTESA-N -1 0 417.466 2.944 50 0 HFAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013251939 558527991 /nfs/dbraw/zinc/52/79/91/558527991.db2.gz OSWGAIVLSPZGIN-UONOGXRCSA-N -1 0 412.895 2.730 50 0 HFAARM O=C(CCN1CCN(c2ccccc2)CC1)n1cc(C(=O)c2ccccc2[O-])cn1 ZINC000023425053 558557932 /nfs/dbraw/zinc/55/79/32/558557932.db2.gz HTQLASJJTLJPKU-UHFFFAOYSA-N -1 0 404.470 2.672 50 0 HFAARM COc1ccc(OC)c(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013730740 558586537 /nfs/dbraw/zinc/58/65/37/558586537.db2.gz UGQMECPJDGJKHJ-UHFFFAOYSA-N -1 0 407.473 2.937 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000013964748 558609597 /nfs/dbraw/zinc/60/95/97/558609597.db2.gz QDTPNQDHGQBWME-NYYWCZLTSA-N -1 0 423.288 2.926 50 0 HFAARM O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc([O-])c(Cl)c1 ZINC000025444717 558641090 /nfs/dbraw/zinc/64/10/90/558641090.db2.gz ZIYSYAQJYVFDAP-UHFFFAOYSA-N -1 0 400.909 2.822 50 0 HFAARM O=C([O-])CCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1 ZINC000016183281 558775687 /nfs/dbraw/zinc/77/56/87/558775687.db2.gz GZKPHAZWORDVLM-ACCUITESSA-N -1 0 421.247 2.794 50 0 HFAARM O=C([O-])/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1I ZINC000019788605 558777317 /nfs/dbraw/zinc/77/73/17/558777317.db2.gz VKLXLVSWOZIPLZ-NTEUORMPSA-N -1 0 409.179 2.852 50 0 HFAARM CCOC(=O)N1CCN([C@@H](c2ccco2)c2sc3nc(CC)nn3c2[O-])CC1 ZINC000004585093 558780272 /nfs/dbraw/zinc/78/02/72/558780272.db2.gz APXJIOPBTJCHRJ-AWEZNQCLSA-N -1 0 405.480 2.515 50 0 HFAARM O=C(CNC(=O)C1CCCCC1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000003287600 558780364 /nfs/dbraw/zinc/78/03/64/558780364.db2.gz ORJXUCNFLNEVHJ-UHFFFAOYSA-N -1 0 422.532 2.579 50 0 HFAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017088035 558816863 /nfs/dbraw/zinc/81/68/63/558816863.db2.gz KFDNOZHVOSYOMK-NSHDSACASA-N -1 0 408.520 2.831 50 0 HFAARM 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CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000942839 568753736 /nfs/dbraw/zinc/75/37/36/568753736.db2.gz PVCBBMJVNFQEHV-UHFFFAOYSA-N -1 0 412.471 2.857 50 0 HFAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc(F)cc2)cc1 ZINC000021796104 568753739 /nfs/dbraw/zinc/75/37/39/568753739.db2.gz WIKXZGHDTFNPTJ-UHFFFAOYSA-N -1 0 407.405 2.721 50 0 HFAARM Cc1cccc(N2CCN(c3ccc(NS(C)(=O)=O)cc3C(=O)[O-])C[C@@H]2C)c1 ZINC000021883413 568758072 /nfs/dbraw/zinc/75/80/72/568758072.db2.gz BGXOWQXDARLBJH-HNNXBMFYSA-N -1 0 403.504 2.780 50 0 HFAARM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCN(C)CC2)cc1 ZINC000022577938 568770138 /nfs/dbraw/zinc/77/01/38/568770138.db2.gz VSPAEWGOOGCFFQ-KRWDZBQOSA-N -1 0 401.536 2.794 50 0 HFAARM COc1ccc(CCNC(=O)CCn2c(=O)c3sccc3[n-]c2=S)cc1OC ZINC000002932396 568818504 /nfs/dbraw/zinc/81/85/04/568818504.db2.gz MFWOYNLHRUDYEC-UHFFFAOYSA-N -1 0 419.528 2.887 50 0 HFAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1Br ZINC000226686482 568821393 /nfs/dbraw/zinc/82/13/93/568821393.db2.gz GIVBEPJEZJBYRY-UHFFFAOYSA-N -1 0 421.294 2.567 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000005884183 568828152 /nfs/dbraw/zinc/82/81/52/568828152.db2.gz IRMRURPPCBWOFC-UHFFFAOYSA-N -1 0 410.517 2.721 50 0 HFAARM CC(C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000002970719 568831718 /nfs/dbraw/zinc/83/17/18/568831718.db2.gz XHLHOVJHDVRXSW-UHFFFAOYSA-N -1 0 416.547 2.847 50 0 HFAARM COc1ccc(-c2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])o2)cc1 ZINC000003345583 568856038 /nfs/dbraw/zinc/85/60/38/568856038.db2.gz HFUFKBDXMJJGDC-MRXNPFEDSA-N -1 0 413.455 2.649 50 0 HFAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1C(F)(F)F ZINC000012604905 568870799 /nfs/dbraw/zinc/87/07/99/568870799.db2.gz ZJHKIAJPZVEYPB-UHFFFAOYSA-N -1 0 420.434 2.947 50 0 HFAARM Cc1csc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)n1 ZINC000003364557 568888745 /nfs/dbraw/zinc/88/87/45/568888745.db2.gz OXYCOGKMEAJIIC-UHFFFAOYSA-N -1 0 421.529 2.773 50 0 HFAARM O=Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)sc2c1 ZINC000058157436 568893650 /nfs/dbraw/zinc/89/36/50/568893650.db2.gz TXQJZFSWDZVUBE-UHFFFAOYSA-N -1 0 403.485 2.746 50 0 HFAARM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])c2ccccc2oc1=O ZINC000217594205 568896295 /nfs/dbraw/zinc/89/62/95/568896295.db2.gz CMTKIGCXWDKNPP-CYBMUJFWSA-N -1 0 400.383 2.916 50 0 biogenic HFAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000001388454 568923112 /nfs/dbraw/zinc/92/31/12/568923112.db2.gz ARHULQQBFBNNDJ-UHFFFAOYSA-N -1 0 404.201 2.755 50 0 HFAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2)CC1 ZINC000004100479 568942577 /nfs/dbraw/zinc/94/25/77/568942577.db2.gz QWQDEYBWNWMGLA-OAHLLOKOSA-N -1 0 401.492 2.668 50 0 HFAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(OC(C)C)cc2)cc1 ZINC000004110910 568944029 /nfs/dbraw/zinc/94/40/29/568944029.db2.gz COWXSRNCDHSQCQ-IBGZPJMESA-N -1 0 420.487 2.927 50 0 HFAARM CCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)s1 ZINC000013996637 569005106 /nfs/dbraw/zinc/00/51/06/569005106.db2.gz XFYJSEDLKCPIGA-UHFFFAOYSA-N -1 0 404.564 2.748 50 0 HFAARM COc1cccc(CNC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000015826825 569011571 /nfs/dbraw/zinc/01/15/71/569011571.db2.gz MYVVYUODYVSLQK-AWEZNQCLSA-N -1 0 401.488 2.750 50 0 HFAARM COc1cccc(CNC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000015826828 569011614 /nfs/dbraw/zinc/01/16/14/569011614.db2.gz MYVVYUODYVSLQK-CQSZACIVSA-N -1 0 401.488 2.750 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)c1 ZINC000035378089 569034316 /nfs/dbraw/zinc/03/43/16/569034316.db2.gz JYXMRORYGCCOPI-UHFFFAOYSA-N -1 0 421.862 2.908 50 0 HFAARM Cc1ccc(C)c(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)c1 ZINC000006309332 569038684 /nfs/dbraw/zinc/03/86/84/569038684.db2.gz JYTBYKTUSGFGFT-UHFFFAOYSA-N -1 0 413.459 2.545 50 0 HFAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cccs1 ZINC000090607322 569041916 /nfs/dbraw/zinc/04/19/16/569041916.db2.gz FTYHCOPCVMTOGQ-INIZCTEOSA-N -1 0 416.499 2.737 50 0 HFAARM CCn1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)n1 ZINC000006490163 569059693 /nfs/dbraw/zinc/05/96/93/569059693.db2.gz ILTWEKZMISJMBQ-YCUKKYJWSA-N -1 0 402.495 2.651 50 0 HFAARM CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000006591057 569068741 /nfs/dbraw/zinc/06/87/41/569068741.db2.gz CTGDGBLFVSVOPG-VHEBQXMUSA-N -1 0 406.442 3.000 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000006613772 569074276 /nfs/dbraw/zinc/07/42/76/569074276.db2.gz HPYZPSWHLBWMEI-UHFFFAOYSA-N -1 0 400.323 2.937 50 0 HFAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c1C(=O)[O-] ZINC000036357177 569148796 /nfs/dbraw/zinc/14/87/96/569148796.db2.gz UOSXKQVIMNWLMI-FQEVSTJZSA-N -1 0 411.433 2.964 50 0 HFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)OCC)cc1 ZINC000006887603 569170834 /nfs/dbraw/zinc/17/08/34/569170834.db2.gz XJAGXDFKZFPGIS-UHFFFAOYSA-N -1 0 408.476 2.796 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1 ZINC000065196227 569194645 /nfs/dbraw/zinc/19/46/45/569194645.db2.gz UKMDTKJMTOUPPX-UHFFFAOYSA-N -1 0 422.528 2.861 50 0 HFAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2cnn(-c3cccc(C)c3)c2[nH]c1=O ZINC000065250044 569206038 /nfs/dbraw/zinc/20/60/38/569206038.db2.gz DBQHAUWSZQFAKN-UHFFFAOYSA-N -1 0 418.409 2.767 50 0 HFAARM Cc1cc(C(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)nn1C ZINC000065260902 569209661 /nfs/dbraw/zinc/20/96/61/569209661.db2.gz JEZIZBUYDIEJES-UHFFFAOYSA-N -1 0 422.876 2.583 50 0 HFAARM C[C@@H](CCNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)[S@@](C)=O ZINC000089895471 569267970 /nfs/dbraw/zinc/26/79/70/569267970.db2.gz SPIXHRTYMQYIBW-PWFNWSNSSA-N -1 0 409.577 2.893 50 0 HFAARM Cc1csc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCC(C)CC2)n1 ZINC000241161368 569302561 /nfs/dbraw/zinc/30/25/61/569302561.db2.gz KAHIADSDPHTNEU-UHFFFAOYSA-N -1 0 415.562 2.673 50 0 HFAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007728506 569303615 /nfs/dbraw/zinc/30/36/15/569303615.db2.gz UMJKHJJAIGYRGJ-QGZVFWFLSA-N -1 0 400.500 2.885 50 0 HFAARM CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000012658625 569402432 /nfs/dbraw/zinc/40/24/32/569402432.db2.gz FRRZIPPXTFWZML-JEAKANRDSA-N -1 0 402.487 2.850 50 0 biogenic HFAARM COc1ccc(CCN2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1OC ZINC000019878562 569433055 /nfs/dbraw/zinc/43/30/55/569433055.db2.gz OZZAPKBGNBWNSO-GOSISDBHSA-N -1 0 415.467 2.864 50 0 HFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(-n3cccn3)ncn2)cc1 ZINC000038670414 571059854 /nfs/dbraw/zinc/05/98/54/571059854.db2.gz NTZSCNLUVHMHBY-UHFFFAOYSA-N -1 0 411.447 2.812 50 0 HFAARM CCCN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000040152232 571200033 /nfs/dbraw/zinc/20/00/33/571200033.db2.gz HVIGITRMEGHVJM-UHFFFAOYSA-N -1 0 418.515 2.822 50 0 HFAARM CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000009045835 571215666 /nfs/dbraw/zinc/21/56/66/571215666.db2.gz IVLIWQYRSDWUCP-UHFFFAOYSA-N -1 0 404.426 2.670 50 0 HFAARM O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1)c1ccccc1 ZINC000245264678 571221499 /nfs/dbraw/zinc/22/14/99/571221499.db2.gz DSWZRKJDDGNZMA-KNBMTAEXSA-N -1 0 422.485 2.722 50 0 HFAARM O=c1[n-]c(SCc2nnnn2-c2ccc(Cl)cc2)nnc1Cc1ccccc1 ZINC000009304125 571246352 /nfs/dbraw/zinc/24/63/52/571246352.db2.gz WCRHEIFGTNFEBE-UHFFFAOYSA-N -1 0 411.878 2.677 50 0 HFAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000009547899 571267818 /nfs/dbraw/zinc/26/78/18/571267818.db2.gz HJURQVXYNFMLQO-UHFFFAOYSA-N -1 0 405.476 2.594 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(F)c(Cl)c1 ZINC000009674842 571278867 /nfs/dbraw/zinc/27/88/67/571278867.db2.gz IXTXTGSOQDZESY-CVEARBPZSA-N -1 0 419.775 2.550 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000009835788 571287846 /nfs/dbraw/zinc/28/78/46/571287846.db2.gz BEMURJZMHDUTGM-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000009877493 571289332 /nfs/dbraw/zinc/28/93/32/571289332.db2.gz WYVICVMMDZDFAV-MRXNPFEDSA-N -1 0 424.906 2.845 50 0 HFAARM CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(=O)[O-])cc1 ZINC000071328600 571292642 /nfs/dbraw/zinc/29/26/42/571292642.db2.gz ASZKOQZZTXRZFD-UHFFFAOYSA-N -1 0 403.485 2.836 50 0 HFAARM COCCOc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)[O-])cc1OC ZINC000010512112 571303970 /nfs/dbraw/zinc/30/39/70/571303970.db2.gz SNBIDGQPOWYGDS-UHFFFAOYSA-N -1 0 421.471 2.708 50 0 HFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000005136852 132302996 /nfs/dbraw/zinc/30/29/96/132302996.db2.gz QONRRLDNZATIIB-UHFFFAOYSA-N -1 0 410.517 2.517 50 0 HFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)Nc3cc(OC)ccc3OC)C2=O)cc1 ZINC000009111215 132335976 /nfs/dbraw/zinc/33/59/76/132335976.db2.gz MVCHJDFKDBPXNA-PDGQHHTCSA-N -1 0 411.414 2.681 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccnn2C)c1 ZINC000032033744 524647917 /nfs/dbraw/zinc/64/79/17/524647917.db2.gz QHZSMFMZUFNNIG-ZHACJKMWSA-N -1 0 412.471 2.881 50 0 HFAARM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@H]4[C@H]2Sc2[nH]c(=O)sc2[C@H]4c2ccccc2OC(=O)[C@@H]31 ZINC000239358367 526293743 /nfs/dbraw/zinc/29/37/43/526293743.db2.gz NDQHCUSCDKVEEN-STDCODIRSA-N -1 0 401.465 2.545 50 0 HFAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)C1 ZINC000032081661 526316261 /nfs/dbraw/zinc/31/62/61/526316261.db2.gz GHKDPNLPICPXCL-JTQLQIEISA-N -1 0 412.826 2.717 50 0 HFAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)Nc1cccc(F)c1 ZINC000032836354 527078144 /nfs/dbraw/zinc/07/81/44/527078144.db2.gz HZYOZVAQEIAVRY-UHFFFAOYSA-N -1 0 414.418 2.885 50 0 HFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)cc2)C1 ZINC000032081762 527657733 /nfs/dbraw/zinc/65/77/33/527657733.db2.gz QBNUEPOSVFXXRD-OAHLLOKOSA-N -1 0 414.483 2.804 50 0 HFAARM COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000000814812 557089273 /nfs/dbraw/zinc/08/92/73/557089273.db2.gz DIVWKGSOCQDOPU-GOSISDBHSA-N -1 0 405.414 2.913 50 0 HFAARM O=C([O-])Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 ZINC000001074744 557172286 /nfs/dbraw/zinc/17/22/86/557172286.db2.gz HJZKTDUEDKVSQA-UHFFFAOYSA-N -1 0 415.405 2.757 50 0 HFAARM O=C([O-])CCCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccccc2)N1 ZINC000001839637 557291503 /nfs/dbraw/zinc/29/15/03/557291503.db2.gz TVMSYAZJWTWJBQ-GOSISDBHSA-N -1 0 403.442 2.686 50 0 HFAARM CCOC(=O)[C@@]([N-]c1nnc(C)s1)(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000002050075 557300661 /nfs/dbraw/zinc/30/06/61/557300661.db2.gz HAOWDLOVIFQNDZ-AWEZNQCLSA-N -1 0 406.361 2.649 50 0 HFAARM CC(=O)NCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002555081 557356259 /nfs/dbraw/zinc/35/62/59/557356259.db2.gz CSMYOORPUGPKAP-LJQANCHMSA-N -1 0 414.483 2.805 50 0 HFAARM CCOc1ccc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc1 ZINC000002571614 557357518 /nfs/dbraw/zinc/35/75/18/557357518.db2.gz BWWKEZIVYWOXDZ-YBEGLDIGSA-N -1 0 401.415 2.967 50 0 HFAARM O=C(CCc1nnc(-c2cccs2)[n-]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000034768101 557462918 /nfs/dbraw/zinc/46/29/18/557462918.db2.gz BNTAUNKCXREMHC-UHFFFAOYSA-N -1 0 413.478 2.726 50 0 HFAARM Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000003884806 557502605 /nfs/dbraw/zinc/50/26/05/557502605.db2.gz CXWCQEVXIYKVBB-UHFFFAOYSA-N -1 0 421.862 2.637 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004334978 557543281 /nfs/dbraw/zinc/54/32/81/557543281.db2.gz BWWDQXKBIQOUHK-FUHWJXTLSA-N -1 0 411.845 2.946 50 0 HFAARM CS(=O)(=O)N1CCC[C@@H](c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)C1 ZINC000002730721 557754031 /nfs/dbraw/zinc/75/40/31/557754031.db2.gz BZMJNWHVHIXLJD-OAHLLOKOSA-N -1 0 418.548 2.666 50 0 HFAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3nn(C)c(C)c3Br)c2=O)s1 ZINC000002779022 557761209 /nfs/dbraw/zinc/76/12/09/557761209.db2.gz NPTMQZCQDDLZIN-UHFFFAOYSA-N -1 0 424.324 2.907 50 0 HFAARM CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)CC1 ZINC000022854637 557842119 /nfs/dbraw/zinc/84/21/19/557842119.db2.gz VHRRVIISGPQFDW-INIZCTEOSA-N -1 0 415.519 2.922 50 0 HFAARM CCCc1nnc(SCc2nc(COc3ccc(OC)cc3)no2)n1CC(=O)[O-] ZINC000013458208 558533092 /nfs/dbraw/zinc/53/30/92/558533092.db2.gz IOQKTCYUQQBPPB-UHFFFAOYSA-N -1 0 419.463 2.578 50 0 HFAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)c1 ZINC000004483913 558603077 /nfs/dbraw/zinc/60/30/77/558603077.db2.gz MWCYDCOQOYKKNJ-IAGOWNOFSA-N -1 0 400.822 2.851 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000004483765 558603161 /nfs/dbraw/zinc/60/31/61/558603161.db2.gz CUPVQXOFHJWYMY-SJORKVTESA-N -1 0 400.822 2.851 50 0 HFAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(Br)ccc2F)C1=O ZINC000025324506 558638028 /nfs/dbraw/zinc/63/80/28/558638028.db2.gz TVNLOXSZOCTFDV-QGZVFWFLSA-N -1 0 406.211 2.700 50 0 HFAARM COc1cc(C(=O)Oc2cccc([C@H]3N[C@@H](C(=O)[O-])CS3)c2)cc(OC)c1OC ZINC000004554650 558722657 /nfs/dbraw/zinc/72/26/57/558722657.db2.gz QAZBUFQOZYPJNL-KDOFPFPSSA-N -1 0 419.455 2.720 50 0 HFAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017088034 558816922 /nfs/dbraw/zinc/81/69/22/558816922.db2.gz KFDNOZHVOSYOMK-LLVKDONJSA-N -1 0 408.520 2.831 50 0 HFAARM Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C ZINC000017091448 558819965 /nfs/dbraw/zinc/81/99/65/558819965.db2.gz AIHAYYBYFKSJAV-UHFFFAOYSA-N -1 0 418.500 2.695 50 0 HFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000017092276 558820633 /nfs/dbraw/zinc/82/06/33/558820633.db2.gz NBOUAFWGZWAPKT-KBPBESRZSA-N -1 0 420.531 2.929 50 0 HFAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cc1C ZINC000033007420 558828369 /nfs/dbraw/zinc/82/83/69/558828369.db2.gz IEZQNLPAGQXFGN-UHFFFAOYSA-N -1 0 404.488 2.947 50 0 HFAARM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1Cl ZINC000004594282 558832036 /nfs/dbraw/zinc/83/20/36/558832036.db2.gz VJALGEGOWBCNKV-CQSZACIVSA-N -1 0 411.892 2.927 50 0 HFAARM O=C(Cn1c([O-])nc2c(-c3ccc(F)cc3)c[nH]c2c1=O)NCc1ccc(F)cc1 ZINC000033038024 558862604 /nfs/dbraw/zinc/86/26/04/558862604.db2.gz KVSNCMOHLDXMIG-UHFFFAOYSA-N -1 0 410.380 2.692 50 0 HFAARM O=C(Cn1c([O-])nc2c(-c3ccccc3)c[nH]c2c1=O)NCCCc1ccccc1 ZINC000033038016 558862665 /nfs/dbraw/zinc/86/26/65/558862665.db2.gz KZFVYADEFMCULF-UHFFFAOYSA-N -1 0 402.454 2.846 50 0 HFAARM CN(Cc1ccccc1)C(=O)Cn1c([O-])nc2c(-c3ccccc3F)c[nH]c2c1=O ZINC000033038071 558862674 /nfs/dbraw/zinc/86/26/74/558862674.db2.gz WQUJRZHGDJZSGH-UHFFFAOYSA-N -1 0 406.417 2.895 50 0 HFAARM O=C(Nc1ccc(Br)cc1)c1n[nH]nc1[N-]S(=O)(=O)c1ccccc1 ZINC000004619395 558865246 /nfs/dbraw/zinc/86/52/46/558865246.db2.gz XBOZQOZHLJROSX-UHFFFAOYSA-N -1 0 422.264 2.620 50 0 HFAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(c2ncccn2)CC1 ZINC000033078649 558868075 /nfs/dbraw/zinc/86/80/75/558868075.db2.gz WUIJZRLNUZZSHI-UHFFFAOYSA-N -1 0 409.471 2.815 50 0 HFAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000058136662 558900985 /nfs/dbraw/zinc/90/09/85/558900985.db2.gz TUEDITXRFVAEBE-UHFFFAOYSA-N -1 0 420.468 2.689 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000059250611 558932688 /nfs/dbraw/zinc/93/26/88/558932688.db2.gz JDUUVGRZWQQSNU-UHFFFAOYSA-N -1 0 404.366 2.540 50 0 HFAARM NC(=O)NCCC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)C(=O)[O-] ZINC000072401610 558936355 /nfs/dbraw/zinc/93/63/55/558936355.db2.gz WUZZLJPFDHRLJL-GOSISDBHSA-N -1 0 424.432 2.672 50 0 HFAARM Cc1cc(C(=O)N2CCc3c(nc4cc(-c5ccccc5Cl)[n-]n4c3=O)C2)nn1C ZINC000097139229 558996758 /nfs/dbraw/zinc/99/67/58/558996758.db2.gz SOHAIEDKKGKFKQ-UHFFFAOYSA-N -1 0 422.876 2.583 50 0 HFAARM C[C@]1(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4cccnc4)ccc3C2)CCCCO1 ZINC000077437428 559005166 /nfs/dbraw/zinc/00/51/66/559005166.db2.gz KFWTYRZISRHJMY-OAQYLSRUSA-N -1 0 415.515 2.726 50 0 HFAARM O=C([O-])CCNC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240387 559056016 /nfs/dbraw/zinc/05/60/16/559056016.db2.gz BCKCHAYBERZFOU-HXUWFJFHSA-N -1 0 408.454 2.991 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1 ZINC000100036703 559129018 /nfs/dbraw/zinc/12/90/18/559129018.db2.gz GVQCTACUCUEQRH-WOJBJXKFSA-N -1 0 405.458 2.798 50 0 HFAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OC(C)C ZINC000033398081 559161052 /nfs/dbraw/zinc/16/10/52/559161052.db2.gz FEVQVBDWEHFFEK-IZZDOVSWSA-N -1 0 416.215 2.657 50 0 HFAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(N2CCCS2(=O)=O)c1 ZINC000005075769 559240906 /nfs/dbraw/zinc/24/09/06/559240906.db2.gz UUJAFYMMYXIDHW-UHFFFAOYSA-N -1 0 410.517 2.653 50 0 HFAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)c3ccccc3)[n-]c2=O)cc1 ZINC000005081655 559242703 /nfs/dbraw/zinc/24/27/03/559242703.db2.gz XTBPFVXBNMZLAI-UHFFFAOYSA-N -1 0 410.455 2.588 50 0 HFAARM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000011709724 559243535 /nfs/dbraw/zinc/24/35/35/559243535.db2.gz BIUHNGIIMULEST-ZDUSSCGKSA-N -1 0 415.500 2.792 50 0 HFAARM CS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000005136871 559249887 /nfs/dbraw/zinc/24/98/87/559249887.db2.gz QKKSYMQBFVGGBP-UHFFFAOYSA-N -1 0 406.938 2.915 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011795912 559259806 /nfs/dbraw/zinc/25/98/06/559259806.db2.gz KHYBXMGNHYVSAP-MRXNPFEDSA-N -1 0 405.501 2.505 50 0 HFAARM CCc1cccc(C)c1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011906020 559266541 /nfs/dbraw/zinc/26/65/41/559266541.db2.gz ILGOVINNSMVCFV-UHFFFAOYSA-N -1 0 422.528 2.733 50 0 HFAARM Cc1c(OCC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c3c(c(=O)oc12)CCC3 ZINC000238924043 559271715 /nfs/dbraw/zinc/27/17/15/559271715.db2.gz QNTBHYIWBSPSMN-SHTZXODSSA-N -1 0 413.470 2.976 50 0 biogenic HFAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000005379697 560573083 /nfs/dbraw/zinc/57/30/83/560573083.db2.gz WUEKDELKOCASDI-DLBZAZTESA-N -1 0 401.463 2.679 50 0 HFAARM Cc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc([N-]S(=O)(=O)N(C)C)nn32)cc1 ZINC000005574068 560623421 /nfs/dbraw/zinc/62/34/21/560623421.db2.gz FHIMTFZKQYZSNY-QZTJIDSGSA-N -1 0 412.519 2.951 50 0 HFAARM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000005379711 560625435 /nfs/dbraw/zinc/62/54/35/560625435.db2.gz WUEKDELKOCASDI-SJORKVTESA-N -1 0 401.463 2.679 50 0 HFAARM COc1ccc(N2C(=O)[C@@H]3C(c4ccc(Br)cc4)=NO[C@@H]3C2=O)cc1 ZINC000100837209 560759665 /nfs/dbraw/zinc/75/96/65/560759665.db2.gz COWXPFUXKDRYHE-ZBFHGGJFSA-N -1 0 401.216 2.750 50 0 HFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O ZINC000101103744 560786097 /nfs/dbraw/zinc/78/60/97/560786097.db2.gz RTUAKBUZTPKQSP-UHFFFAOYSA-N -1 0 418.453 2.777 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(F)c5)c(=O)c3=4)n2)cc1 ZINC000101262203 560789964 /nfs/dbraw/zinc/78/99/64/560789964.db2.gz CVTVZXGJMBDEKS-ZWKOTPCHSA-N -1 0 420.404 2.986 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101389601 560794120 /nfs/dbraw/zinc/79/41/20/560794120.db2.gz CNSVALQOZZCNAR-DLBZAZTESA-N -1 0 415.812 2.719 50 0 HFAARM CCCCn1c(=O)c(C2=NN[C@H](c3ccc(OC)cc3OC)C2)c([O-])[nH]c1=S ZINC000101495263 560796375 /nfs/dbraw/zinc/79/63/75/560796375.db2.gz WLUXSZQZWMPQRJ-ZDUSSCGKSA-N -1 0 404.492 2.867 50 0 HFAARM CCOC(=O)CCc1c(C)nc2[n-]c(CNc3ccc(C)c(Cl)c3)nn2c1=O ZINC000101803224 560802291 /nfs/dbraw/zinc/80/22/91/560802291.db2.gz RWIZZIWIRJTPNX-UHFFFAOYSA-N -1 0 403.870 2.796 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(Cl)cccc3Cl)c(=O)c1=2)Nc1ccccc1 ZINC000102000816 560807071 /nfs/dbraw/zinc/80/70/71/560807071.db2.gz BMPWVECBLLYNGA-GOEBONIOSA-N -1 0 418.240 2.925 50 0 HFAARM CCOC(=O)C(C=Nc1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)OCC ZINC000102140070 560808141 /nfs/dbraw/zinc/80/81/41/560808141.db2.gz ITYFSGPKANYATG-UHFFFAOYSA-N -1 0 424.500 2.971 50 0 HFAARM O=C(CCn1c2ccccc2c2c1CCCC2)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102991125 560836590 /nfs/dbraw/zinc/83/65/90/560836590.db2.gz RVEUVNDEAFMXHY-UHFFFAOYSA-N -1 0 415.497 2.831 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)cc1C ZINC000101277493 560851484 /nfs/dbraw/zinc/85/14/84/560851484.db2.gz HSYFEQYNWIGBMI-ROUUACIJSA-N -1 0 420.404 2.986 50 0 HFAARM NC(=O)C1CCN([C@@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022852602 568415606 /nfs/dbraw/zinc/41/56/06/568415606.db2.gz RJWQBJWWZNPWGT-AWEZNQCLSA-N -1 0 413.459 2.636 50 0 HFAARM O=C([O-])c1csc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000049609512 568452481 /nfs/dbraw/zinc/45/24/81/568452481.db2.gz IYMDZFREMCBOCK-UHFFFAOYSA-N -1 0 400.909 2.606 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000006770137 568459206 /nfs/dbraw/zinc/45/92/06/568459206.db2.gz XDCRQLUPFUEASZ-QZTJIDSGSA-N -1 0 411.849 2.834 50 0 HFAARM CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000012348249 568496011 /nfs/dbraw/zinc/49/60/11/568496011.db2.gz MYMFDGYVVUEHNY-UHFFFAOYSA-N -1 0 424.482 2.663 50 0 HFAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000794201 568605114 /nfs/dbraw/zinc/60/51/14/568605114.db2.gz ATQIMNBARIFWDI-QZTJIDSGSA-N -1 0 408.520 2.937 50 0 HFAARM O=C([O-])CN(CCc1ccccc1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000095415782 568606888 /nfs/dbraw/zinc/60/68/88/568606888.db2.gz ZHBPSRGTPZHMST-UHFFFAOYSA-N -1 0 403.378 2.903 50 0 HFAARM Cc1nn(-c2nc(C)cc(C)n2)cc1C(=O)NC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000095425436 568607894 /nfs/dbraw/zinc/60/78/94/568607894.db2.gz JGHYIGIXPSIHGV-GOSISDBHSA-N -1 0 407.474 2.569 50 0 HFAARM O=C(CCc1n[nH]c(=O)[n-]c1=O)Nc1ccc2ccn(Cc3ccc(Cl)cc3)c2c1 ZINC000095479005 568632129 /nfs/dbraw/zinc/63/21/29/568632129.db2.gz YKIQLWHBTDGTHJ-UHFFFAOYSA-N -1 0 423.860 2.686 50 0 HFAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000095532133 568635355 /nfs/dbraw/zinc/63/53/55/568635355.db2.gz VWOQRVLQOOMITG-GOSISDBHSA-N -1 0 415.471 2.601 50 0 HFAARM O=c1cc(CSC2=Nc3ccccc3S(=O)(=O)[N-]2)nc2ccc(Cl)cn12 ZINC000021117362 568669318 /nfs/dbraw/zinc/66/93/18/568669318.db2.gz LECUICFGGUJMJN-UHFFFAOYSA-N -1 0 406.876 2.752 50 0 HFAARM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000095957018 568669623 /nfs/dbraw/zinc/66/96/23/568669623.db2.gz LLJQYNCVNRFSAI-GXTWGEPZSA-N -1 0 420.325 2.537 50 0 HFAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000095969927 568671254 /nfs/dbraw/zinc/67/12/54/568671254.db2.gz VIPOSCTUGURUIM-UHFFFAOYSA-N -1 0 422.415 2.736 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1C ZINC000096319864 568728304 /nfs/dbraw/zinc/72/83/04/568728304.db2.gz UWJRNKAAFDPWGJ-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(C)c1 ZINC000096319863 568728373 /nfs/dbraw/zinc/72/83/73/568728373.db2.gz BQDMSBQEANHAGJ-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C(C)NCc2ccccc2OC)C1=O ZINC000005799706 568735048 /nfs/dbraw/zinc/73/50/48/568735048.db2.gz XMXYMDZHUKQMPV-XMHGGMMESA-N -1 0 409.442 2.741 50 0 HFAARM COc1cccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000096361299 568739368 /nfs/dbraw/zinc/73/93/68/568739368.db2.gz BKEFVDGZKSVYGW-UHFFFAOYSA-N -1 0 420.878 2.803 50 0 HFAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c12 ZINC000021715872 568749798 /nfs/dbraw/zinc/74/97/98/568749798.db2.gz XOIIFLKLNOZHDS-UHFFFAOYSA-N -1 0 412.471 2.749 50 0 HFAARM [O-]C(c1cccs1)=C1[C@@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000000943939 568753528 /nfs/dbraw/zinc/75/35/28/568753528.db2.gz JFYMLPYODLEHIC-YWPYICTPSA-N -1 0 402.419 2.723 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000002686887 568800885 /nfs/dbraw/zinc/80/08/85/568800885.db2.gz UAUNNBZTMACTJF-WOJBJXKFSA-N -1 0 405.458 2.798 50 0 HFAARM COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(=O)[O-])cc1 ZINC000002932575 568818526 /nfs/dbraw/zinc/81/85/26/568818526.db2.gz QYFADKTWZIMWMW-UHFFFAOYSA-N -1 0 419.484 2.672 50 0 HFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)n1 ZINC000001217951 568836532 /nfs/dbraw/zinc/83/65/32/568836532.db2.gz BLWAXBDBQWGJKK-UHFFFAOYSA-N -1 0 418.500 2.528 50 0 HFAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2O)c1C ZINC000012525941 568842837 /nfs/dbraw/zinc/84/28/37/568842837.db2.gz DFKYOMGJCOTZKT-UHFFFAOYSA-N -1 0 412.533 2.677 50 0 HFAARM CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O ZINC000003984825 568931122 /nfs/dbraw/zinc/93/11/22/568931122.db2.gz XVXHKSUNKDKOLL-NRFANRHFSA-N -1 0 419.481 2.651 50 0 biogenic HFAARM CC(C)C[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000004088960 568941430 /nfs/dbraw/zinc/94/14/30/568941430.db2.gz LSLZGLIKJMEDPP-UGSOOPFHSA-N -1 0 408.454 2.632 50 0 biogenic HFAARM CCCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000012764515 568947603 /nfs/dbraw/zinc/94/76/03/568947603.db2.gz ROOKBRJNCGJCDQ-INIZCTEOSA-N -1 0 404.536 2.987 50 0 HFAARM O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2)s1)c1ccc(Cl)cc1 ZINC000015674467 568962979 /nfs/dbraw/zinc/96/29/79/568962979.db2.gz CYQIGLSKLYYGDP-UHFFFAOYSA-N -1 0 408.892 2.922 50 0 HFAARM O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1cc(=O)c2ccccc2[n-]1 ZINC000008013658 568968479 /nfs/dbraw/zinc/96/84/79/568968479.db2.gz XLIBQNKHVOMOQP-UHFFFAOYSA-N -1 0 407.451 2.833 50 0 HFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCCC1 ZINC000008183611 568980050 /nfs/dbraw/zinc/98/00/50/568980050.db2.gz DSEBIANZVQRFDC-UHFFFAOYSA-N -1 0 402.472 2.885 50 0 HFAARM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000008314857 568989809 /nfs/dbraw/zinc/98/98/09/568989809.db2.gz USKVFNSGOBLTBT-SFTDATJTSA-N -1 0 407.470 2.856 50 0 HFAARM O=C(CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000085703945 569007286 /nfs/dbraw/zinc/00/72/86/569007286.db2.gz JNNNPIMKWAXPRL-UHFFFAOYSA-N -1 0 421.438 2.568 50 0 HFAARM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000035378141 569034299 /nfs/dbraw/zinc/03/42/99/569034299.db2.gz CCFYBKQZZYDZQW-UHFFFAOYSA-N -1 0 415.471 2.817 50 0 HFAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C(=O)[O-])cc1 ZINC000064461955 569063100 /nfs/dbraw/zinc/06/31/00/569063100.db2.gz YSISIOSMJCEDFJ-UHFFFAOYSA-N -1 0 417.531 2.890 50 0 HFAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000006623399 569075049 /nfs/dbraw/zinc/07/50/49/569075049.db2.gz DZKDWWZRJGROGJ-ZDUSSCGKSA-N -1 0 419.503 2.983 50 0 HFAARM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1)C(=O)[O-] ZINC000064988007 569145547 /nfs/dbraw/zinc/14/55/47/569145547.db2.gz HZWNFPRTCKIALI-SNVBAGLBSA-N -1 0 407.835 2.808 50 0 HFAARM COc1ccc(OC)c(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000006918672 569181497 /nfs/dbraw/zinc/18/14/97/569181497.db2.gz PDVRDLZHHXHULX-UHFFFAOYSA-N -1 0 407.473 2.546 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000006937870 569185285 /nfs/dbraw/zinc/18/52/85/569185285.db2.gz HVHMVWZXYYURRB-IBGZPJMESA-N -1 0 416.499 2.969 50 0 HFAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc4c(c2)OCCO4)c3[O-])cc1 ZINC000065249979 569206019 /nfs/dbraw/zinc/20/60/19/569206019.db2.gz OWLPSSGLIGJHBU-UHFFFAOYSA-N -1 0 418.409 2.751 50 0 HFAARM CCn1cc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(=O)[O-] ZINC000036864162 569230670 /nfs/dbraw/zinc/23/06/70/569230670.db2.gz QSNKAVFHBNGMEZ-UHFFFAOYSA-N -1 0 420.228 2.612 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000013324913 569255010 /nfs/dbraw/zinc/25/50/10/569255010.db2.gz AKLSUPVKGBNTLE-UHFFFAOYSA-N -1 0 413.952 2.926 50 0 HFAARM Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)no1 ZINC000013579027 569256339 /nfs/dbraw/zinc/25/63/39/569256339.db2.gz SYDOEZDKSTYPOC-UHFFFAOYSA-N -1 0 423.381 2.729 50 0 HFAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)NCc1ccco1 ZINC000016848418 569265412 /nfs/dbraw/zinc/26/54/12/569265412.db2.gz ZARFIAFCZGTEJP-UHFFFAOYSA-N -1 0 409.464 2.925 50 0 HFAARM O=C([O-])[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCS(=O)(=O)C1 ZINC000226772376 569279366 /nfs/dbraw/zinc/27/93/66/569279366.db2.gz TWSJTLVOHLYNDM-OAQYLSRUSA-N -1 0 415.467 2.557 50 0 HFAARM Cc1c(O[C@H](C)C(=O)NCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002100694 569281378 /nfs/dbraw/zinc/28/13/78/569281378.db2.gz VHLGYLBUHKUHLS-OAHLLOKOSA-N -1 0 409.438 2.969 50 0 biogenic HFAARM C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002147487 569289775 /nfs/dbraw/zinc/28/97/75/569289775.db2.gz WUGBUBPPCFZIOB-XOBRGWDASA-N -1 0 421.449 2.861 50 0 biogenic HFAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(Cl)cc(Cl)c3OC(=O)[C@@H]12 ZINC000002227539 569317154 /nfs/dbraw/zinc/31/71/54/569317154.db2.gz BKTZGNMQJKBKNL-NYNCVSEMSA-N -1 0 404.252 2.969 50 0 HFAARM COc1cc(C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)ccc1OCc1ccccc1 ZINC000263625807 569317248 /nfs/dbraw/zinc/31/72/48/569317248.db2.gz PEJGFCSFZWSINY-KRWDZBQOSA-N -1 0 413.455 2.670 50 0 HFAARM COC(=O)C[C@H](C[P@](=O)([O-])C(O)(c1ccccc1)c1ccccc1)C(=O)OC ZINC000002323889 569375232 /nfs/dbraw/zinc/37/52/32/569375232.db2.gz OIXOIDNHKSLHOD-OAHLLOKOSA-N -1 0 406.371 2.503 50 0 HFAARM Cn1c([O-])c([C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c(=O)n(C)c1=O ZINC000002447596 569401733 /nfs/dbraw/zinc/40/17/33/569401733.db2.gz HVYJKQLNTSIJRK-QGZVFWFLSA-N -1 0 411.845 2.704 50 0 HFAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)C1 ZINC000012941281 569405157 /nfs/dbraw/zinc/40/51/57/569405157.db2.gz IJJPMOQHVDQVPH-HNNXBMFYSA-N -1 0 422.528 2.805 50 0 HFAARM C[C@H](C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1)c1ccc(Cl)s1 ZINC000328592184 569415322 /nfs/dbraw/zinc/41/53/22/569415322.db2.gz KBKFUJRACYFGPW-QMMMGPOBSA-N -1 0 405.954 2.918 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(CO)CC3)cc2)c(F)c1 ZINC000079001688 569423551 /nfs/dbraw/zinc/42/35/51/569423551.db2.gz VMFJWHPXLLQZMK-UHFFFAOYSA-N -1 0 406.479 2.779 50 0 HFAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2)C1 ZINC000008723792 571107392 /nfs/dbraw/zinc/10/73/92/571107392.db2.gz FELBXJLAPXHBIF-OAHLLOKOSA-N -1 0 408.520 2.625 50 0 HFAARM CCCCSc1nnc([N-]C(=O)c2nc(S(=O)(=O)CC)ncc2Cl)s1 ZINC000008868059 571129604 /nfs/dbraw/zinc/12/96/04/571129604.db2.gz GMIAEZBTPYNCSM-UHFFFAOYSA-N -1 0 421.957 2.920 50 0 HFAARM O=C(CSc1nc2c(-c3ccccc3)c[n-]n2c(=O)n1)NCc1ccc(F)cc1 ZINC000009105527 571221837 /nfs/dbraw/zinc/22/18/37/571221837.db2.gz GJSLHMUXBQLEBV-UHFFFAOYSA-N -1 0 409.446 2.632 50 0 HFAARM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1 ZINC000009116889 571224516 /nfs/dbraw/zinc/22/45/16/571224516.db2.gz NXKREQXWCOJUFS-UHFFFAOYSA-N -1 0 421.500 2.822 50 0 HFAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccsc2)C1 ZINC000069375057 571224706 /nfs/dbraw/zinc/22/47/06/571224706.db2.gz XHPGPQXQMFPOGD-INIZCTEOSA-N -1 0 421.500 2.662 50 0 HFAARM C[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1ccccc1Cl ZINC000069511156 571228771 /nfs/dbraw/zinc/22/87/71/571228771.db2.gz TUEOEHNPCUOHEJ-SNVBAGLBSA-N -1 0 403.851 2.526 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1 ZINC000009153201 571231360 /nfs/dbraw/zinc/23/13/60/571231360.db2.gz JDFBZIHHVSZREL-UHFFFAOYSA-N -1 0 423.450 2.687 50 0 HFAARM Cc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)s1 ZINC000009206967 571236703 /nfs/dbraw/zinc/23/67/03/571236703.db2.gz WDAHPDHNGZFWMI-UHFFFAOYSA-N -1 0 423.907 2.825 50 0 HFAARM Cc1cccc(N2CCN(C(=O)COC(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c1C ZINC000009218804 571237886 /nfs/dbraw/zinc/23/78/86/571237886.db2.gz TWHGKPBJPSGLGY-UHFFFAOYSA-N -1 0 419.481 2.651 50 0 HFAARM COC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2o1 ZINC000009338424 571249556 /nfs/dbraw/zinc/24/95/56/571249556.db2.gz UHQPXNGUDVUZJF-UHFFFAOYSA-N -1 0 408.457 2.902 50 0 HFAARM O=C([O-])c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)ccc1O ZINC000009429752 571258178 /nfs/dbraw/zinc/25/81/78/571258178.db2.gz ASMINCRWKNPSRJ-CHHVJCJISA-N -1 0 416.386 2.905 50 0 HFAARM COc1ccc(-c2c3c(C)nn(-c4ccccc4)c3[nH]c3nc(=O)[n-]c(=O)c2-3)cc1O ZINC000009577117 571269953 /nfs/dbraw/zinc/26/99/53/571269953.db2.gz YWWYUNIBVAFZCD-UHFFFAOYSA-N -1 0 415.409 2.640 50 0 HFAARM CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)cc1 ZINC000009673755 571278719 /nfs/dbraw/zinc/27/87/19/571278719.db2.gz LJFJRBBGJSVZJX-HNNXBMFYSA-N -1 0 421.500 2.662 50 0 HFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)c1 ZINC000009684756 571279593 /nfs/dbraw/zinc/27/95/93/571279593.db2.gz QAJBWQLEDKKJJN-UHFFFAOYSA-N -1 0 421.519 2.696 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCC(C)CC3)cs2)cc1 ZINC000009828621 571286940 /nfs/dbraw/zinc/28/69/40/571286940.db2.gz FTKRLSZXYHSFTQ-UHFFFAOYSA-N -1 0 409.533 2.754 50 0 HFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003566263 132266988 /nfs/dbraw/zinc/26/69/88/132266988.db2.gz ILNONXSYSVLARR-UHFFFAOYSA-N -1 0 404.414 2.683 50 0 HFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)Nc3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000009015849 132335058 /nfs/dbraw/zinc/33/50/58/132335058.db2.gz VODIUYFCEUJKBD-LDADJPATSA-N -1 0 408.414 2.623 50 0 HFAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1 ZINC000020574877 521384533 /nfs/dbraw/zinc/38/45/33/521384533.db2.gz PSUUUFFYPBDTAL-UHFFFAOYSA-N -1 0 412.464 2.635 50 0 HFAARM COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(C)(C)C)n2CCC(=O)[O-])cc1 ZINC000032776282 523264294 /nfs/dbraw/zinc/26/42/94/523264294.db2.gz JEBCMBJOOSSKFI-GFCCVEGCSA-N -1 0 406.508 2.824 50 0 HFAARM O=C(c1csc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1)N1CCCCC1 ZINC000045961647 526907310 /nfs/dbraw/zinc/90/73/10/526907310.db2.gz SQQFSNRLHPYCTA-UHFFFAOYSA-N -1 0 408.501 2.946 50 0 HFAARM O=C([O-])COCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000044124308 527614371 /nfs/dbraw/zinc/61/43/71/527614371.db2.gz PJXMZYYAPKARJF-NRFANRHFSA-N -1 0 402.878 2.675 50 0 HFAARM COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c([O-])c(Br)c1 ZINC000000683310 557057045 /nfs/dbraw/zinc/05/70/45/557057045.db2.gz KVNOBANLYLEFTE-JTQLQIEISA-N -1 0 420.057 2.718 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)ncn1 ZINC000000795651 557083025 /nfs/dbraw/zinc/08/30/25/557083025.db2.gz AINQNYLOWNZWTG-UHFFFAOYSA-N -1 0 402.407 2.677 50 0 HFAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)ccc2OC)cc1OC ZINC000000871606 557107312 /nfs/dbraw/zinc/10/73/12/557107312.db2.gz URBHVQJCZCEQKH-UHFFFAOYSA-N -1 0 415.851 2.646 50 0 biogenic HFAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022626976 557108197 /nfs/dbraw/zinc/10/81/97/557108197.db2.gz XDOKIQUDTOFCMF-MRXNPFEDSA-N -1 0 415.519 2.977 50 0 HFAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1Cl ZINC000001121382 557191312 /nfs/dbraw/zinc/19/13/12/557191312.db2.gz QYTBRQHFASLKSQ-UHFFFAOYSA-N -1 0 415.851 2.710 50 0 HFAARM O=C1[N-]C(=O)/C(=C/c2ccc(OS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000002163263 557320951 /nfs/dbraw/zinc/32/09/51/557320951.db2.gz AYACGBBLLQMNBG-RZNTYIFUSA-N -1 0 413.238 2.941 50 0 HFAARM COc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCC(=O)[O-])cc1 ZINC000002979957 557435130 /nfs/dbraw/zinc/43/51/30/557435130.db2.gz YWAYESOOCVZRHQ-ATVHPVEESA-N -1 0 402.834 2.710 50 0 HFAARM COc1cc(OC)cc(-c2nnc(CCC(=O)NCc3ccccc3F)c(=O)[n-]2)c1 ZINC000034768222 557463053 /nfs/dbraw/zinc/46/30/53/557463053.db2.gz IJMMWUGURZJGME-UHFFFAOYSA-N -1 0 412.421 2.650 50 0 HFAARM O=C(CCc1nnc(-c2ccc3c(c2)OCO3)[n-]c1=O)NCCCc1ccccc1 ZINC000034768052 557463063 /nfs/dbraw/zinc/46/30/63/557463063.db2.gz CHVVVWNHRBMKPA-UHFFFAOYSA-N -1 0 406.442 2.655 50 0 HFAARM O=C(CCc1nnc(-c2ccc(F)c(Cl)c2)[n-]c1=O)NCCc1ccccn1 ZINC000034768623 557463306 /nfs/dbraw/zinc/46/33/06/557463306.db2.gz BNQSRKMUENZWLL-UHFFFAOYSA-N -1 0 401.829 2.723 50 0 HFAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCCC1 ZINC000003281260 557467166 /nfs/dbraw/zinc/46/71/66/557467166.db2.gz VENDGXAIEPDQFF-UHFFFAOYSA-N -1 0 410.546 2.947 50 0 HFAARM COC(=O)c1ccc(N[C@@H]2SC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000004271902 557534104 /nfs/dbraw/zinc/53/41/04/557534104.db2.gz MZEAFMIIERKYMQ-OAHLLOKOSA-N -1 0 400.412 2.805 50 0 HFAARM Cn1cc(Br)c(-c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)n1 ZINC000004324710 557541661 /nfs/dbraw/zinc/54/16/61/557541661.db2.gz CLZSCRDQZHZKDE-UHFFFAOYSA-N -1 0 402.208 2.590 50 0 HFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ncn(Cc2c(Cl)cccc2Cl)n1 ZINC000002804100 557763340 /nfs/dbraw/zinc/76/33/40/557763340.db2.gz FFMKWYZYXUZHDA-UHFFFAOYSA-N -1 0 401.279 2.774 50 0 HFAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022784227 557820143 /nfs/dbraw/zinc/82/01/43/557820143.db2.gz ULTONSFAHRKFSZ-AWEZNQCLSA-N -1 0 422.352 2.904 50 0 HFAARM CC(C)[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)[O-] ZINC000011635152 558264825 /nfs/dbraw/zinc/26/48/25/558264825.db2.gz NXZLJVZDYMZCMG-JTQLQIEISA-N -1 0 415.103 2.599 50 0 HFAARM COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000012382147 558393629 /nfs/dbraw/zinc/39/36/29/558393629.db2.gz ZJBIJSUYQLDEFH-NWNNTGRJSA-N -1 0 400.431 2.675 50 0 HFAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)CCCC3)n(C)c(=O)n2C ZINC000021042538 558430462 /nfs/dbraw/zinc/43/04/62/558430462.db2.gz QCUWBENZERHUIR-UHFFFAOYSA-N -1 0 401.488 2.565 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1 ZINC000021367241 558437389 /nfs/dbraw/zinc/43/73/89/558437389.db2.gz KOEBLDDEGBTUMX-QZTJIDSGSA-N -1 0 411.849 2.889 50 0 HFAARM Cc1nc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000012931559 558486496 /nfs/dbraw/zinc/48/64/96/558486496.db2.gz MSRIIYQLRMMWBR-INIZCTEOSA-N -1 0 405.451 2.759 50 0 HFAARM C[C@@](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000013250587 558527976 /nfs/dbraw/zinc/52/79/76/558527976.db2.gz PZSQQKPGGOGYAM-NRFANRHFSA-N -1 0 416.499 2.842 50 0 HFAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)cc1 ZINC000072191562 558563009 /nfs/dbraw/zinc/56/30/09/558563009.db2.gz UCMCHTZUESXEOJ-UHFFFAOYSA-N -1 0 412.471 2.844 50 0 HFAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)cc1 ZINC000072191467 558563029 /nfs/dbraw/zinc/56/30/29/558563029.db2.gz QOBGUSMUWHHWPA-UHFFFAOYSA-N -1 0 412.471 2.844 50 0 HFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2s1 ZINC000013727230 558584744 /nfs/dbraw/zinc/58/47/44/558584744.db2.gz ABVYAAUHVDBLFQ-UHFFFAOYSA-N -1 0 416.528 2.630 50 0 HFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000024764979 558611446 /nfs/dbraw/zinc/61/14/46/558611446.db2.gz YYDAHRGGLOOZTR-UHFFFAOYSA-N -1 0 407.473 2.869 50 0 HFAARM O=C(Nc1cccc(C(F)(F)F)c1)c1n[nH]nc1[N-]S(=O)(=O)c1ccccc1 ZINC000004499992 558612408 /nfs/dbraw/zinc/61/24/08/558612408.db2.gz RQEITBVTLZFKPK-UHFFFAOYSA-N -1 0 411.365 2.877 50 0 HFAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014244798 558646178 /nfs/dbraw/zinc/64/61/78/558646178.db2.gz WVMJPEBNBOQDIS-UHFFFAOYSA-N -1 0 402.444 2.550 50 0 HFAARM COC(=O)[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)cc1C)C(C)(C)C ZINC000072310383 558777351 /nfs/dbraw/zinc/77/73/51/558777351.db2.gz WQKYLUDZLKRWDP-GFCCVEGCSA-N -1 0 410.414 2.574 50 0 HFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000006697616 558781556 /nfs/dbraw/zinc/78/15/56/558781556.db2.gz GPGCDVIQQZHYMR-UHFFFAOYSA-N -1 0 404.488 2.521 50 0 HFAARM CCOc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000072311377 558783471 /nfs/dbraw/zinc/78/34/71/558783471.db2.gz PMRZSZKPKDFBSP-UHFFFAOYSA-N -1 0 416.459 2.627 50 0 HFAARM O=C(Nc1ccc2n[nH]cc2c1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC000072311845 558796343 /nfs/dbraw/zinc/79/63/43/558796343.db2.gz SHDUBAROZGPHKG-UHFFFAOYSA-N -1 0 422.466 2.999 50 0 HFAARM Cc1ccc(CNC(=O)c2c(NC(=O)COCC(=O)[O-])sc3c2CCC3)cc1 ZINC000017082407 558814460 /nfs/dbraw/zinc/81/44/60/558814460.db2.gz PCANOLAPIIBMFM-UHFFFAOYSA-N -1 0 402.472 2.515 50 0 HFAARM C[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2ccccc2)C1 ZINC000017090667 558819293 /nfs/dbraw/zinc/81/92/93/558819293.db2.gz PWISXLBIOIRPCE-CYBMUJFWSA-N -1 0 416.499 2.843 50 0 HFAARM CCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000004599036 558835088 /nfs/dbraw/zinc/83/50/88/558835088.db2.gz DHFVZTAYKYZIOL-UHFFFAOYSA-N -1 0 416.547 2.618 50 0 HFAARM COc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OC ZINC000004689233 558899189 /nfs/dbraw/zinc/89/91/89/558899189.db2.gz ISEFAHHCXZOVJZ-YHYXMXQVSA-N -1 0 402.222 2.587 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccncc3)c2)cc1OCC ZINC000058180543 558910264 /nfs/dbraw/zinc/91/02/64/558910264.db2.gz PUOZMJUISWNMLU-UHFFFAOYSA-N -1 0 402.476 2.925 50 0 HFAARM COc1ccc(F)cc1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071764459 558910575 /nfs/dbraw/zinc/91/05/75/558910575.db2.gz CGOONFBVTXQDIG-UHFFFAOYSA-N -1 0 411.476 2.937 50 0 HFAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036365428 558932777 /nfs/dbraw/zinc/93/27/77/558932777.db2.gz XGFOZQIHXZTUJJ-OAQYLSRUSA-N -1 0 407.470 2.820 50 0 HFAARM O=C(c1ccncc1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097151910 558997598 /nfs/dbraw/zinc/99/75/98/558997598.db2.gz VCUHADICFKYZRN-UHFFFAOYSA-N -1 0 405.845 2.937 50 0 HFAARM CCC[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1 ZINC000077539118 559008682 /nfs/dbraw/zinc/00/86/82/559008682.db2.gz BOJPMVDAYMWTBV-GFCCVEGCSA-N -1 0 408.549 2.968 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000023126685 559014124 /nfs/dbraw/zinc/01/41/24/559014124.db2.gz FUVIWEMIJHNVGY-MOPGFXCFSA-N -1 0 414.425 2.719 50 0 HFAARM CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000023157409 559022293 /nfs/dbraw/zinc/02/22/93/559022293.db2.gz ZPXPIGGHZXAXRO-HNNXBMFYSA-N -1 0 419.482 2.807 50 0 HFAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 ZINC000091650802 559067114 /nfs/dbraw/zinc/06/71/14/559067114.db2.gz LYAVEILTYRFANT-JTQLQIEISA-N -1 0 410.257 2.604 50 0 HFAARM CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)c1cc(=O)[nH][n-]1 ZINC000091320130 559071130 /nfs/dbraw/zinc/07/11/30/559071130.db2.gz FTFUASUPKVCITL-QGZVFWFLSA-N -1 0 406.490 2.985 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000100033112 559128832 /nfs/dbraw/zinc/12/88/32/559128832.db2.gz NOLIHSGPUZRYLM-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3)c(O)c12 ZINC000100573251 559136775 /nfs/dbraw/zinc/13/67/75/559136775.db2.gz CPPNKJORYDIDHX-NVXWUHKLSA-N -1 0 412.243 2.772 50 0 HFAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000101756037 559147948 /nfs/dbraw/zinc/14/79/48/559147948.db2.gz XDEJTGYOVZXNMN-IBGZPJMESA-N -1 0 418.453 2.773 50 0 HFAARM COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205967708 559190230 /nfs/dbraw/zinc/19/02/30/559190230.db2.gz MPNQCNRVXKJHNF-MRXNPFEDSA-N -1 0 418.409 2.677 50 0 HFAARM CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)ccc1C(=O)[O-] ZINC000005016350 559228378 /nfs/dbraw/zinc/22/83/78/559228378.db2.gz CIBHPHGLUMFCEE-UHFFFAOYSA-N -1 0 413.459 2.798 50 0 HFAARM CC[C@H](C)n1c2ccccc2c([O-])c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O ZINC000100609648 559240665 /nfs/dbraw/zinc/24/06/65/559240665.db2.gz OYQKSESMHSMUDW-LBPRGKRZSA-N -1 0 415.471 2.578 50 0 HFAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000248009787 559259170 /nfs/dbraw/zinc/25/91/70/559259170.db2.gz IJYFLLFOOSORFE-DWRORGKVSA-N -1 0 424.563 2.695 50 0 biogenic HFAARM CCCCOc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC(=O)[O-])cc1 ZINC000005274141 560561255 /nfs/dbraw/zinc/56/12/55/560561255.db2.gz CXPIFLZDLARQDJ-JXAWBTAJSA-N -1 0 400.431 2.820 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1C ZINC000100890792 560762079 /nfs/dbraw/zinc/76/20/79/560762079.db2.gz VBILJFBHKIAMTA-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000169689178 560765631 /nfs/dbraw/zinc/76/56/31/560765631.db2.gz BLUSYAKAHOJHAT-ZENOOKHLSA-N -1 0 414.361 2.581 50 0 HFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000101166288 560787434 /nfs/dbraw/zinc/78/74/34/560787434.db2.gz WBKXRSYEGILONU-UXHICEINSA-N -1 0 421.457 2.634 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000101168184 560787526 /nfs/dbraw/zinc/78/75/26/560787526.db2.gz CUPVQXOFHJWYMY-IRXDYDNUSA-N -1 0 400.822 2.851 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(C)c1 ZINC000101170643 560787938 /nfs/dbraw/zinc/78/79/38/560787938.db2.gz ZZEUCFPIZWWQHY-PMACEKPBSA-N -1 0 405.458 2.852 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1 ZINC000101174395 560787955 /nfs/dbraw/zinc/78/79/55/560787955.db2.gz GHPVWUHUEAVDHS-VQTJNVASSA-N -1 0 405.458 2.798 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1C ZINC000101277552 560790348 /nfs/dbraw/zinc/79/03/48/560790348.db2.gz OQOMHILHMYRJPH-ROUUACIJSA-N -1 0 402.414 2.847 50 0 HFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)n1 ZINC000101270972 560790950 /nfs/dbraw/zinc/79/09/50/560790950.db2.gz VMYHMCYKNBEUFZ-DLBZAZTESA-N -1 0 406.377 2.678 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)c(Cl)c4)c=3c2=O)cc1 ZINC000101386800 560793921 /nfs/dbraw/zinc/79/39/21/560793921.db2.gz MVJAHGLIJKBYQK-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM COc1ccc(OC)c(C=CC(O)=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000101414043 560794409 /nfs/dbraw/zinc/79/44/09/560794409.db2.gz NZTYSFPZDSWLIZ-MWGSQGARSA-N -1 0 412.373 2.951 50 0 HFAARM CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=O ZINC000101456621 560795555 /nfs/dbraw/zinc/79/55/55/560795555.db2.gz BQBTVGWKVKMPEC-LJQANCHMSA-N -1 0 420.469 2.893 50 0 HFAARM CCCCn1c(=O)c(C2=NN[C@@H](c3cc(OC)ccc3OC)C2)c([O-])[nH]c1=S ZINC000101495209 560796404 /nfs/dbraw/zinc/79/64/04/560796404.db2.gz RKZNBZAOEOVIOX-CYBMUJFWSA-N -1 0 404.492 2.867 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)c1 ZINC000101893531 560804566 /nfs/dbraw/zinc/80/45/66/560804566.db2.gz OXMHZRCNBLDYSU-IAGOWNOFSA-N -1 0 406.377 2.678 50 0 HFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1Br ZINC000013345267 560804818 /nfs/dbraw/zinc/80/48/18/560804818.db2.gz QZMXACZATQELDN-UHFFFAOYSA-N -1 0 414.233 2.719 50 0 HFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2I)ccc1F ZINC000013362339 560806039 /nfs/dbraw/zinc/80/60/39/560806039.db2.gz OBRGARODLBGCHD-UHFFFAOYSA-N -1 0 421.187 2.929 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(Cl)cccc3Cl)c(=O)c1=2)Nc1ccccc1 ZINC000102000824 560807180 /nfs/dbraw/zinc/80/71/80/560807180.db2.gz BMPWVECBLLYNGA-ZBFHGGJFSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000102289555 560809654 /nfs/dbraw/zinc/80/96/54/560809654.db2.gz BABFPRKIQXYLCQ-CALCHBBNSA-N -1 0 413.499 2.866 50 0 HFAARM Cc1cc(=O)n2nc(CC(=O)N3CCC(c4nc5ccccc5s4)CC3)[n-]c2n1 ZINC000102719884 560823537 /nfs/dbraw/zinc/82/35/37/560823537.db2.gz GTUDKXITBSGPQT-UHFFFAOYSA-N -1 0 408.487 2.697 50 0 HFAARM Cn1c(=O)c2ccc(C(=O)NCc3ccc(Br)s3)cc2[n-]c1=S ZINC000103073286 560837581 /nfs/dbraw/zinc/83/75/81/560837581.db2.gz DQCGACNMNITWRO-UHFFFAOYSA-N -1 0 410.318 2.976 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1OC ZINC000101170660 560851216 /nfs/dbraw/zinc/85/12/16/560851216.db2.gz KJWXBROZRVDROM-IRXDYDNUSA-N -1 0 400.822 2.851 50 0 HFAARM O=C(c1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c[nH]2)o1)N1CCCC1 ZINC000085808545 560897297 /nfs/dbraw/zinc/89/72/97/560897297.db2.gz OEBITLXBYHGTCZ-UHFFFAOYSA-N -1 0 421.866 2.755 50 0 HFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1 ZINC000049002791 568446174 /nfs/dbraw/zinc/44/61/74/568446174.db2.gz NIBFFKCRGPKNBU-MSOLQXFVSA-N -1 0 418.413 2.547 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)N1CCSCC1 ZINC000012324101 568471472 /nfs/dbraw/zinc/47/14/72/568471472.db2.gz JPEZZMFOMOLHKP-UHFFFAOYSA-N -1 0 417.965 2.715 50 0 HFAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccnc3OC)cc2)cc1 ZINC000000754069 568471895 /nfs/dbraw/zinc/47/18/95/568471895.db2.gz BIJYPYKUSFUYCL-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM Cc1nn(-c2nc(C)cc(C)n2)cc1C(=O)NC[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000095425435 568607909 /nfs/dbraw/zinc/60/79/09/568607909.db2.gz JGHYIGIXPSIHGV-SFHVURJKSA-N -1 0 407.474 2.569 50 0 HFAARM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCCOCC[N-]C(=O)C(F)(F)F ZINC000095467963 568624996 /nfs/dbraw/zinc/62/49/96/568624996.db2.gz FLFHMJLXVLQVGH-GFCCVEGCSA-N -1 0 401.303 2.961 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1F ZINC000095481483 568633602 /nfs/dbraw/zinc/63/36/02/568633602.db2.gz WGRFQZYFAWLELV-JKSUJKDBSA-N -1 0 419.775 2.550 50 0 HFAARM CN1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCC2=CCCCC2)c3=O)CC1 ZINC000020645339 568638952 /nfs/dbraw/zinc/63/89/52/568638952.db2.gz VSIKDGJUTHTEKC-UHFFFAOYSA-N -1 0 412.559 2.963 50 0 HFAARM COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c([O-])nc2ccccn2c1=O ZINC000096118383 568698116 /nfs/dbraw/zinc/69/81/16/568698116.db2.gz WWBAOJFWQUDPTM-INIZCTEOSA-N -1 0 418.409 2.677 50 0 HFAARM COC(=O)C=Cc1cc(OC)c(OC)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC000096311181 568724645 /nfs/dbraw/zinc/72/46/45/568724645.db2.gz NJUHBLDIJLXWEO-YHYXMXQVSA-N -1 0 419.455 2.893 50 0 HFAARM CCc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000096361262 568739205 /nfs/dbraw/zinc/73/92/05/568739205.db2.gz MLIWEYVZXRLEIP-UHFFFAOYSA-N -1 0 414.487 2.712 50 0 HFAARM Cc1cc(C)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000096562390 568760492 /nfs/dbraw/zinc/76/04/92/568760492.db2.gz BWXBZWKOPUTMTL-QGZVFWFLSA-N -1 0 422.478 2.901 50 0 HFAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000022609379 568771612 /nfs/dbraw/zinc/77/16/12/568771612.db2.gz APKGCPYUHTYUJG-BFQNTYOBSA-N -1 0 404.492 2.712 50 0 HFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000002617399 568786004 /nfs/dbraw/zinc/78/60/04/568786004.db2.gz HAFINYAXUBKASC-UHFFFAOYSA-N -1 0 410.517 2.546 50 0 HFAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NC[C@@H]1COc2ccccc2O1 ZINC000002972112 568832083 /nfs/dbraw/zinc/83/20/83/568832083.db2.gz GVQWWHVNQNMPJB-CQSZACIVSA-N -1 0 411.483 2.795 50 0 HFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000002973501 568832122 /nfs/dbraw/zinc/83/21/22/568832122.db2.gz ODGHFFZXFPDHQZ-UHFFFAOYSA-N -1 0 411.483 2.658 50 0 HFAARM CC1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000012526429 568843281 /nfs/dbraw/zinc/84/32/81/568843281.db2.gz SXYUMXITGMRFOX-UHFFFAOYSA-N -1 0 414.487 2.529 50 0 HFAARM CCN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003043763 568848165 /nfs/dbraw/zinc/84/81/65/568848165.db2.gz SNTNNYURJPWKNG-UHFFFAOYSA-N -1 0 411.483 2.944 50 0 HFAARM COC(=O)CCc1sc(NC(=O)CSCC(=O)[O-])nc1-c1ccc(OC)cc1 ZINC000003218107 568863013 /nfs/dbraw/zinc/86/30/13/568863013.db2.gz VMNBPGKJUAPCMR-UHFFFAOYSA-N -1 0 424.500 2.681 50 0 HFAARM COc1ccccc1CCNC(=O)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628003 568881762 /nfs/dbraw/zinc/88/17/62/568881762.db2.gz UOJKSSOXILEJJW-UHFFFAOYSA-N -1 0 417.512 2.925 50 0 HFAARM COc1cc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc(OC)c1 ZINC000004372181 568916055 /nfs/dbraw/zinc/91/60/55/568916055.db2.gz GJXBTBJGQMRWOV-UHFFFAOYSA-N -1 0 407.473 2.546 50 0 HFAARM COC(=O)NC([N-]c1sc2c(c1C(N)=O)CCC2)(C(F)(F)F)C(F)(F)F ZINC000004177288 568949075 /nfs/dbraw/zinc/94/90/75/568949075.db2.gz XMGYJVVHTUUIQE-UHFFFAOYSA-N -1 0 405.320 2.925 50 0 HFAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NN2CCOCC2)c1C ZINC000006146574 569014497 /nfs/dbraw/zinc/01/44/97/569014497.db2.gz JYZLVUWZBBWQLM-UHFFFAOYSA-N -1 0 417.531 2.698 50 0 HFAARM O=C([O-])c1sccc1S(=O)(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012916256 569022558 /nfs/dbraw/zinc/02/25/58/569022558.db2.gz OUCFKMRZWCHSIH-UHFFFAOYSA-N -1 0 408.501 2.551 50 0 HFAARM CC(C)C[C@@H](NC(=O)CSc1nnc(NCCc2cccs2)s1)C(=O)[O-] ZINC000012978159 569042526 /nfs/dbraw/zinc/04/25/26/569042526.db2.gz XOOLYTSXBJLHSM-GFCCVEGCSA-N -1 0 414.578 2.962 50 0 HFAARM O=C([O-])[C@@H](c1c[nH]c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc21)[NH+]1CCCC1 ZINC000245254867 569055426 /nfs/dbraw/zinc/05/54/26/569055426.db2.gz CVVAMRVBJQYEBK-GPMSIDNRSA-N -1 0 411.458 2.995 50 0 HFAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004026629 569060789 /nfs/dbraw/zinc/06/07/89/569060789.db2.gz PIFDTDZOSWFTGB-GOSISDBHSA-N -1 0 409.438 2.855 50 0 biogenic HFAARM COc1cc(OC)cc(C(=O)NCc2n[n-]c(=S)n2-c2ccccc2OC)c1 ZINC000006492547 569061172 /nfs/dbraw/zinc/06/11/72/569061172.db2.gz KJANIKKAWFJQQA-UHFFFAOYSA-N -1 0 400.460 2.886 50 0 HFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000064565393 569067061 /nfs/dbraw/zinc/06/70/61/569067061.db2.gz ZLDKFBKQZRBLGR-QZTJIDSGSA-N -1 0 418.413 2.629 50 0 HFAARM COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)NCCC(=O)[O-])CC2 ZINC000006764639 569114356 /nfs/dbraw/zinc/11/43/56/569114356.db2.gz IQFBUNQXHJHVNJ-FQEVSTJZSA-N -1 0 402.422 2.975 50 0 HFAARM C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000006778368 569118836 /nfs/dbraw/zinc/11/88/36/569118836.db2.gz TZTGBDPAFCZQKD-GFCCVEGCSA-N -1 0 404.473 2.745 50 0 HFAARM Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c1C(=O)[O-] ZINC000036358967 569150378 /nfs/dbraw/zinc/15/03/78/569150378.db2.gz RBQAVNUTKVMGRY-OAQYLSRUSA-N -1 0 407.470 2.820 50 0 HFAARM O=C(c1noc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cn3)cc21)N1CCCC1 ZINC000065115091 569179278 /nfs/dbraw/zinc/17/92/78/569179278.db2.gz UIYFOTQKOWPPGG-UHFFFAOYSA-N -1 0 406.851 2.913 50 0 HFAARM COc1ccc(CNC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1 ZINC000065249920 569205963 /nfs/dbraw/zinc/20/59/63/569205963.db2.gz CLPIEIKMYBZWER-UHFFFAOYSA-N -1 0 404.426 2.666 50 0 HFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(C)cc4)c3[nH]c2=O)c(OC)c1 ZINC000065249975 569206043 /nfs/dbraw/zinc/20/60/43/569206043.db2.gz MXLOQNYPZCSBQH-UHFFFAOYSA-N -1 0 420.425 2.997 50 0 HFAARM CSCC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002115022 569284540 /nfs/dbraw/zinc/28/45/40/569284540.db2.gz VAUGZIRBCJRMHN-WFASDCNBSA-N -1 0 419.499 2.680 50 0 biogenic HFAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12 ZINC000002115912 569284609 /nfs/dbraw/zinc/28/46/09/569284609.db2.gz XKWIGXQMWGOIPC-QGZVFWFLSA-N -1 0 415.829 2.946 50 0 biogenic HFAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)C1 ZINC000012941274 569405123 /nfs/dbraw/zinc/40/51/23/569405123.db2.gz IJJPMOQHVDQVPH-OAHLLOKOSA-N -1 0 422.528 2.805 50 0 HFAARM O=C([O-])c1ccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008723380 571107266 /nfs/dbraw/zinc/10/72/66/571107266.db2.gz OQTNFAJHFHPDST-GOSISDBHSA-N -1 0 418.745 2.895 50 0 HFAARM Cc1cccc(-c2nc3c(c(SCC(=O)NCCC(=O)[O-])n2)COC(C)(C)C3)c1 ZINC000009053025 571216447 /nfs/dbraw/zinc/21/64/47/571216447.db2.gz JOJZWFRBYRARJK-UHFFFAOYSA-N -1 0 415.515 2.986 50 0 HFAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2cccs2)C1 ZINC000009060536 571217284 /nfs/dbraw/zinc/21/72/84/571217284.db2.gz WXPDQSKXMQGKFC-HNNXBMFYSA-N -1 0 421.500 2.662 50 0 HFAARM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nn1 ZINC000009650615 571276716 /nfs/dbraw/zinc/27/67/16/571276716.db2.gz GUSPLKYQQXFPBG-UHFFFAOYSA-N -1 0 421.475 2.877 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F ZINC000009672325 571278704 /nfs/dbraw/zinc/27/87/04/571278704.db2.gz JQGYDWOGYKWMQN-UHFFFAOYSA-N -1 0 416.377 2.872 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccccc1Cl ZINC000009674502 571278847 /nfs/dbraw/zinc/27/88/47/571278847.db2.gz RMDWFEUIHCOEQT-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)c1 ZINC000009684774 571279596 /nfs/dbraw/zinc/27/95/96/571279596.db2.gz GYMPKLXAYGEYFL-UHFFFAOYSA-N -1 0 403.504 2.881 50 0 HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)n1C ZINC000009685213 571279662 /nfs/dbraw/zinc/27/96/62/571279662.db2.gz REFDKIHYXYDFDG-UHFFFAOYSA-N -1 0 405.520 2.532 50 0 HFAARM CSc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c1 ZINC000009685224 571279865 /nfs/dbraw/zinc/27/98/65/571279865.db2.gz RIQOWEJNYRXJGV-UHFFFAOYSA-N -1 0 423.560 2.637 50 0 HFAARM CC(=O)Nc1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1 ZINC000009762014 571284645 /nfs/dbraw/zinc/28/46/45/571284645.db2.gz GIKHXOBIBZJVIN-UHFFFAOYSA-N -1 0 422.463 2.626 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCC[C@@H](C)C3)cs2)cc1 ZINC000009828619 571286977 /nfs/dbraw/zinc/28/69/77/571286977.db2.gz MUWJWBLMCLGVMU-CYBMUJFWSA-N -1 0 409.533 2.754 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCc1ccc(F)cc1 ZINC000009828688 571287046 /nfs/dbraw/zinc/28/70/46/571287046.db2.gz RRJKIYIKLITHCS-UHFFFAOYSA-N -1 0 405.476 2.942 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc(CCO)cc1 ZINC000013723026 571306526 /nfs/dbraw/zinc/30/65/26/571306526.db2.gz XQQCEIJUPJHRIO-UHFFFAOYSA-N -1 0 417.512 2.660 50 0 HFAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(C)c2cc1OC ZINC000008300426 939030782 /nfs/dbraw/zinc/03/07/82/939030782.db2.gz JPXQHLGJCXEXLG-HXUWFJFHSA-N -1 0 411.410 2.603 50 0 HFAARM Cc1ccc(NC(=O)c2cc(NC(=O)CCC(=O)[O-])ccc2N2CCOCC2)cc1 ZINC000000794604 132232686 /nfs/dbraw/zinc/23/26/86/132232686.db2.gz JTSUXVQALFHHOA-UHFFFAOYSA-N -1 0 411.458 2.887 50 0 HFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CCC3)s1 ZINC000005136870 132303042 /nfs/dbraw/zinc/30/30/42/132303042.db2.gz CNNFXFCTHSSLML-UHFFFAOYSA-N -1 0 400.547 2.824 50 0 HFAARM O=S(=O)([N-]c1ccc(N2CCOCC2)c2nonc21)c1ccc(Cl)s1 ZINC000006502384 132311306 /nfs/dbraw/zinc/31/13/06/132311306.db2.gz ULFUKOJXUQYKGQ-UHFFFAOYSA-N -1 0 400.869 2.575 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000006587450 132311897 /nfs/dbraw/zinc/31/18/97/132311897.db2.gz IYMCSDNRTUGOEU-UHFFFAOYSA-N -1 0 414.487 2.666 50 0 HFAARM CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000009044355 132335240 /nfs/dbraw/zinc/33/52/40/132335240.db2.gz JQUXQMUMTUSCPX-INIZCTEOSA-N -1 0 416.478 2.542 50 0 HFAARM CCSc1nnc(NC(=O)c2cnc([O-])n(Cc3ccccc3Cl)c2=O)s1 ZINC000077099320 521795814 /nfs/dbraw/zinc/79/58/14/521795814.db2.gz FPJKHFALNMPWGX-UHFFFAOYSA-N -1 0 423.907 2.866 50 0 HFAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCOCC2)c1 ZINC000041107869 522196578 /nfs/dbraw/zinc/19/65/78/522196578.db2.gz MMGLZNFOAMTPLR-UHFFFAOYSA-N -1 0 424.906 2.930 50 0 HFAARM COc1ccc(C(=O)O[C@H]2C[C@@H](C)OC2=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000032895373 523771788 /nfs/dbraw/zinc/77/17/88/523771788.db2.gz IXBRDQJGRQMESK-DYVFJYSZSA-N -1 0 419.455 2.665 50 0 HFAARM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000032082034 524757751 /nfs/dbraw/zinc/75/77/51/524757751.db2.gz CHYBSCILAPFTDT-LBPRGKRZSA-N -1 0 408.863 2.887 50 0 HFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1 ZINC000040286489 526306407 /nfs/dbraw/zinc/30/64/07/526306407.db2.gz KECAHVRBIXWSRZ-AZUAARDMSA-N -1 0 408.433 2.902 50 0 HFAARM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c([O-])c(Br)c1 ZINC000000683309 557057093 /nfs/dbraw/zinc/05/70/93/557057093.db2.gz KVNOBANLYLEFTE-SNVBAGLBSA-N -1 0 420.057 2.718 50 0 HFAARM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000798953 557084092 /nfs/dbraw/zinc/08/40/92/557084092.db2.gz FUNDMASTMOWFDZ-ZDUSSCGKSA-N -1 0 416.434 2.823 50 0 HFAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1OC ZINC000000800958 557084896 /nfs/dbraw/zinc/08/48/96/557084896.db2.gz LGTUPYFYRDTLTR-UHFFFAOYSA-N -1 0 414.443 2.547 50 0 HFAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000000802883 557085604 /nfs/dbraw/zinc/08/56/04/557085604.db2.gz BAUZMVVQXFFYKI-UHFFFAOYSA-N -1 0 414.439 2.782 50 0 HFAARM CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)CC1 ZINC000022626962 557108244 /nfs/dbraw/zinc/10/82/44/557108244.db2.gz OBSPCLKYUSYURS-HNNXBMFYSA-N -1 0 419.482 2.807 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3oc(=O)c(NC(C)=O)cc3c2)c1 ZINC000001040712 557153177 /nfs/dbraw/zinc/15/31/77/557153177.db2.gz IMDQVTRGPUMLTM-UHFFFAOYSA-N -1 0 418.427 2.569 50 0 HFAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc3c1C(=O)N(c1ccccc1)C3=O)C2=O ZINC000001208970 557242488 /nfs/dbraw/zinc/24/24/88/557242488.db2.gz PAJSHFHXXDAGHD-UHFFFAOYSA-N -1 0 412.357 2.986 50 0 HFAARM C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000001575986 557273401 /nfs/dbraw/zinc/27/34/01/557273401.db2.gz OEANOUHCLXZBNG-LIRRHRJNSA-N -1 0 409.442 2.595 50 0 HFAARM O=S(=O)([N-]c1nccs1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001895164 557294918 /nfs/dbraw/zinc/29/49/18/557294918.db2.gz YYWSMVBCNMDTSM-UHFFFAOYSA-N -1 0 413.477 2.884 50 0 HFAARM COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000002178512 557322413 /nfs/dbraw/zinc/32/24/13/557322413.db2.gz LQQYUWYEOUBXOY-PFSWGADMSA-N -1 0 414.389 2.779 50 0 HFAARM CC1=C(C)C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@H](C(=O)[O-])C1 ZINC000004818910 557602062 /nfs/dbraw/zinc/60/20/62/557602062.db2.gz FFCAWQQEPFXANX-ZWKOTPCHSA-N -1 0 400.475 2.507 50 0 HFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000006730718 557718030 /nfs/dbraw/zinc/71/80/30/557718030.db2.gz DXDJZDUZHWFDIE-KGLIPLIRSA-N -1 0 418.515 2.705 50 0 HFAARM CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)CC(=O)[O-])CC2)cc1 ZINC000006731117 557718113 /nfs/dbraw/zinc/71/81/13/557718113.db2.gz ZMKUGLOVVUPMOZ-JKSUJKDBSA-N -1 0 410.536 2.534 50 0 HFAARM CN(CC(=O)[O-])c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2Cl)n1 ZINC000008636572 557797765 /nfs/dbraw/zinc/79/77/65/557797765.db2.gz YJKVJRMGHXZPLP-UHFFFAOYSA-N -1 0 421.848 2.961 50 0 HFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)cc1 ZINC000012630769 558441856 /nfs/dbraw/zinc/44/18/56/558441856.db2.gz KUNAAHXSCBSZOV-UHFFFAOYSA-N -1 0 403.489 2.726 50 0 HFAARM COc1cc(-c2noc(-c3ccccc3[N-]S(C)(=O)=O)n2)cc(OC)c1OC ZINC000022464488 558490928 /nfs/dbraw/zinc/49/09/28/558490928.db2.gz GFUOCPSYONEEHH-UHFFFAOYSA-N -1 0 405.432 2.801 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccc(Cl)cc2)CC(=O)N3)cc1 ZINC000013121909 558517552 /nfs/dbraw/zinc/51/75/52/558517552.db2.gz CIZWSSIJKJDBIZ-HNNXBMFYSA-N -1 0 417.878 2.972 50 0 HFAARM O=C([O-])CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000013764960 558591040 /nfs/dbraw/zinc/59/10/40/558591040.db2.gz LDMKCCVDAFHYRH-FOWTUZBSSA-N -1 0 417.259 2.811 50 0 HFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)O[C@@H](C)C2 ZINC000024262493 558593673 /nfs/dbraw/zinc/59/36/73/558593673.db2.gz GKSIWESWGAIELL-NSHDSACASA-N -1 0 404.444 2.540 50 0 HFAARM Cc1ccc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000004484097 558603405 /nfs/dbraw/zinc/60/34/05/558603405.db2.gz GHDAKEGSCLZKDM-WOJBJXKFSA-N -1 0 405.458 2.852 50 0 HFAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000025208247 558634661 /nfs/dbraw/zinc/63/46/61/558634661.db2.gz IIPLHZWEPNMNCA-CYBMUJFWSA-N -1 0 405.378 2.827 50 0 HFAARM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)CC1 ZINC000033274644 558764433 /nfs/dbraw/zinc/76/44/33/558764433.db2.gz HTIGTHVYASOSPP-UHFFFAOYSA-N -1 0 404.488 2.672 50 0 HFAARM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000072306310 558765667 /nfs/dbraw/zinc/76/56/67/558765667.db2.gz SYHCAIMLQMUIRL-UHFFFAOYSA-N -1 0 413.390 2.658 50 0 HFAARM COc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2)c(OC)c1 ZINC000017027465 558812271 /nfs/dbraw/zinc/81/22/71/558812271.db2.gz USRJDXYASYDNAS-CWFNNOHCSA-N -1 0 422.441 2.616 50 0 HFAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000018250415 558834821 /nfs/dbraw/zinc/83/48/21/558834821.db2.gz QNSDMEHBHFEFDW-OAHLLOKOSA-N -1 0 402.403 2.528 50 0 HFAARM COc1ccc(CNC(=O)Cn2c([O-])nc3c(-c4ccccc4F)c[nH]c3c2=O)cc1 ZINC000033038087 558862594 /nfs/dbraw/zinc/86/25/94/558862594.db2.gz LGFLUPCYZJOMFT-UHFFFAOYSA-N -1 0 422.416 2.561 50 0 HFAARM CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000071335571 558896870 /nfs/dbraw/zinc/89/68/70/558896870.db2.gz HJYNJPZWTAKYDE-FQEVSTJZSA-N -1 0 409.467 2.574 50 0 HFAARM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000033255730 558923423 /nfs/dbraw/zinc/92/34/23/558923423.db2.gz OZGCFEZHQXYZAK-ROUUACIJSA-N -1 0 413.499 2.866 50 0 HFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)Cc2ccsc2)CC4)cc1 ZINC000097942100 558947948 /nfs/dbraw/zinc/94/79/48/558947948.db2.gz OOGWASQTGFXUPN-UHFFFAOYSA-N -1 0 420.494 2.887 50 0 HFAARM C[C@H](C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1)n1cccc1 ZINC000077392290 559003528 /nfs/dbraw/zinc/00/35/28/559003528.db2.gz ZCWWDEDLCADOCH-MRXNPFEDSA-N -1 0 410.499 2.830 50 0 HFAARM Cc1nc2sc([C@H](c3ccco3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000023158155 559022628 /nfs/dbraw/zinc/02/26/28/559022628.db2.gz KWUALKPOAHNFNY-HNNXBMFYSA-N -1 0 413.459 2.538 50 0 HFAARM Nc1nc2nc[nH]c2c(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)n1 ZINC000082108363 559038674 /nfs/dbraw/zinc/03/86/74/559038674.db2.gz STHZWGTTXOEGTA-UHFFFAOYSA-N -1 0 404.430 2.591 50 0 HFAARM CCc1cccc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c1 ZINC000092046075 559075330 /nfs/dbraw/zinc/07/53/30/559075330.db2.gz CEBNBXQAUUQVFB-QUCCMNQESA-N -1 0 402.539 2.584 50 0 HFAARM CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000095080820 559079308 /nfs/dbraw/zinc/07/93/08/559079308.db2.gz PXPPYGITAVCEND-AWEZNQCLSA-N -1 0 413.268 2.772 50 0 HFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000100033048 559128844 /nfs/dbraw/zinc/12/88/44/559128844.db2.gz ITAOHVYKECGUGB-QZTJIDSGSA-N -1 0 409.471 2.649 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4Cl)c=3c2=O)cc1 ZINC000100033167 559128927 /nfs/dbraw/zinc/12/89/27/559128927.db2.gz LEJPCKKKWVMJFH-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM COC(=O)C[C@H](c1ccc(O)cc1)c1c(=O)nc2ccc(Br)cn2c1[O-] ZINC000205960060 559186976 /nfs/dbraw/zinc/18/69/76/559186976.db2.gz VLUXGMQTNPGKRA-CYBMUJFWSA-N -1 0 419.231 2.563 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004863219 559193351 /nfs/dbraw/zinc/19/33/51/559193351.db2.gz XEXSJZFJPPFKHL-WMZOPIPTSA-N -1 0 411.845 2.946 50 0 HFAARM CSCC[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004903023 559199984 /nfs/dbraw/zinc/19/99/84/559199984.db2.gz QBEMGDFNCGVUTQ-CLEQQJOVSA-N -1 0 416.474 2.919 50 0 HFAARM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000011709733 559243554 /nfs/dbraw/zinc/24/35/54/559243554.db2.gz BIUHNGIIMULEST-CYBMUJFWSA-N -1 0 415.500 2.792 50 0 HFAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCC[C@H]43)C2=O)cc1 ZINC000248149602 559275229 /nfs/dbraw/zinc/27/52/29/559275229.db2.gz VFSPTJATRPQFKQ-WMZHIEFXSA-N -1 0 405.454 2.880 50 0 HFAARM COc1ccc(C(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000005513598 560626889 /nfs/dbraw/zinc/62/68/89/560626889.db2.gz OJLOYGKVZHWZQB-LJQANCHMSA-N -1 0 414.458 2.975 50 0 biogenic HFAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)cc3)c=2c1=O ZINC000018166079 560780627 /nfs/dbraw/zinc/78/06/27/560780627.db2.gz UOZWAWODDXTRNP-SJLPKXTDSA-N -1 0 411.849 2.889 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000018190399 560781838 /nfs/dbraw/zinc/78/18/38/560781838.db2.gz QAYQGXRPYWXCPN-SJLPKXTDSA-N -1 0 411.845 2.946 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccccc1Cl ZINC000101165847 560787328 /nfs/dbraw/zinc/78/73/28/560787328.db2.gz RMDWFEUIHCOEQT-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1C ZINC000101169467 560787741 /nfs/dbraw/zinc/78/77/41/560787741.db2.gz QTNRYJHUERNZRS-VQTJNVASSA-N -1 0 405.458 2.852 50 0 HFAARM CCOC(=O)c1ccc(Nc2n[n-]c3nc4c(cnn4-c4ccccc4)c(=O)n23)cc1 ZINC000101230723 560789375 /nfs/dbraw/zinc/78/93/75/560789375.db2.gz RMCXHUPTPXSWTP-UHFFFAOYSA-N -1 0 415.413 2.677 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(F)c5)c(=O)c3=4)n2)cc1 ZINC000101272612 560791077 /nfs/dbraw/zinc/79/10/77/560791077.db2.gz INOYWDZQCWKRNF-SJORKVTESA-N -1 0 424.367 2.817 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1Cl ZINC000101352896 560792169 /nfs/dbraw/zinc/79/21/69/560792169.db2.gz SLWCOAYCUICAHQ-SJORKVTESA-N -1 0 415.812 2.719 50 0 HFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1C ZINC000101387298 560793891 /nfs/dbraw/zinc/79/38/91/560793891.db2.gz HSIZWJPVUGVISY-MSOLQXFVSA-N -1 0 411.849 2.889 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000101416785 560794693 /nfs/dbraw/zinc/79/46/93/560794693.db2.gz GVECEMZBMJPQBB-VQTJNVASSA-N -1 0 405.458 2.743 50 0 HFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000101416720 560794704 /nfs/dbraw/zinc/79/47/04/560794704.db2.gz UAUNNBZTMACTJF-PMACEKPBSA-N -1 0 405.458 2.798 50 0 HFAARM CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000101764881 560801236 /nfs/dbraw/zinc/80/12/36/560801236.db2.gz GBWOAAJZYXSUNI-OAHLLOKOSA-N -1 0 418.881 2.783 50 0 HFAARM COc1ccc(C(=O)Nc2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)cc1OC ZINC000101809798 560802289 /nfs/dbraw/zinc/80/22/89/560802289.db2.gz JXAKXNAJHYKCIZ-UHFFFAOYSA-N -1 0 419.441 2.586 50 0 HFAARM O=C([O-])CCc1nnc2n(CCOc3ccc(Cl)cc3)c3ccccc3n2c1=O ZINC000051325904 560871346 /nfs/dbraw/zinc/87/13/46/560871346.db2.gz ZXATXGZZBCKALZ-UHFFFAOYSA-N -1 0 412.833 2.794 50 0 HFAARM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)cc1F ZINC000085808884 568442491 /nfs/dbraw/zinc/44/24/91/568442491.db2.gz UXLRBPDEEHSGMK-UHFFFAOYSA-N -1 0 419.438 2.549 50 0 HFAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCCc1cccs1 ZINC000049003424 568446437 /nfs/dbraw/zinc/44/64/37/568446437.db2.gz FHDZHDYSQVYLEW-UHFFFAOYSA-N -1 0 404.517 2.861 50 0 HFAARM NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c1 ZINC000049547726 568451587 /nfs/dbraw/zinc/45/15/87/568451587.db2.gz VFYVERDZGPJGTK-INIZCTEOSA-N -1 0 405.410 2.514 50 0 HFAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000000805941 568487325 /nfs/dbraw/zinc/48/73/25/568487325.db2.gz KIRGZCLTJVRQSB-OAHLLOKOSA-N -1 0 402.403 2.528 50 0 HFAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000026534869 568550815 /nfs/dbraw/zinc/55/08/15/568550815.db2.gz MECUAWISEBXXME-UHFFFAOYSA-N -1 0 408.863 2.836 50 0 HFAARM Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000095452401 568615092 /nfs/dbraw/zinc/61/50/92/568615092.db2.gz VARIKVLXZXFCLY-UHFFFAOYSA-N -1 0 416.425 2.628 50 0 HFAARM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)n2)c1 ZINC000225462187 568640181 /nfs/dbraw/zinc/64/01/81/568640181.db2.gz CYRNXMHVALEZKW-CQSZACIVSA-N -1 0 410.396 2.594 50 0 HFAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)n1C ZINC000021154237 568673062 /nfs/dbraw/zinc/67/30/62/568673062.db2.gz FUBWTWCGDKHWGU-UHFFFAOYSA-N -1 0 411.911 2.569 50 0 HFAARM COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCO2)c1ccc(C(=O)[O-])cc1 ZINC000096221685 568705310 /nfs/dbraw/zinc/70/53/10/568705310.db2.gz XECIDQXFSQBCJS-KRWDZBQOSA-N -1 0 422.437 2.622 50 0 biogenic HFAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000096319860 568728378 /nfs/dbraw/zinc/72/83/78/568728378.db2.gz FARYJTWZEQLXHM-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000096361158 568738988 /nfs/dbraw/zinc/73/89/88/568738988.db2.gz JBDLJHOYXWZSFZ-UHFFFAOYSA-N -1 0 404.423 2.919 50 0 HFAARM CCOC(=O)c1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(C(=O)[O-])c2)C1=O ZINC000000956213 568757579 /nfs/dbraw/zinc/75/75/79/568757579.db2.gz NDZFPHPDYISPGU-UHFFFAOYSA-N -1 0 414.801 2.997 50 0 HFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)no1 ZINC000000954843 568758737 /nfs/dbraw/zinc/75/87/37/568758737.db2.gz JKOFRPCREAQBOB-UHFFFAOYSA-N -1 0 415.427 2.807 50 0 HFAARM CN(C)C(=O)c1c[nH]nc1-c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)o1 ZINC000097161222 568768902 /nfs/dbraw/zinc/76/89/02/568768902.db2.gz GVSNKUHIKYTOEJ-UHFFFAOYSA-N -1 0 412.830 2.965 50 0 HFAARM COc1ccccc1N(C)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000055651058 568781602 /nfs/dbraw/zinc/78/16/02/568781602.db2.gz LFLXZWXCTGETFC-UHFFFAOYSA-N -1 0 400.250 2.981 50 0 HFAARM COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](CCSC)C(=O)[O-])cc1 ZINC000005916897 568829653 /nfs/dbraw/zinc/82/96/53/568829653.db2.gz PHBZWWGZALZZGN-QGZVFWFLSA-N -1 0 402.472 2.884 50 0 HFAARM CCCC[C@H](CC)CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-] ZINC000004035677 568879328 /nfs/dbraw/zinc/87/93/28/568879328.db2.gz BPNFMHNNTXNKIN-HNNXBMFYSA-N -1 0 410.536 2.935 50 0 HFAARM O=C(NCc1ccc2c(c1)OCO2)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012627991 568881718 /nfs/dbraw/zinc/88/17/18/568881718.db2.gz NQDSRWHMLDUKPM-UHFFFAOYSA-N -1 0 417.468 2.603 50 0 HFAARM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000003358163 568887172 /nfs/dbraw/zinc/88/71/72/568887172.db2.gz NNUVAAJSTZIBND-UHFFFAOYSA-N -1 0 408.423 2.757 50 0 HFAARM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)[O-] ZINC000004088941 568941428 /nfs/dbraw/zinc/94/14/28/568941428.db2.gz VVQSZJZANPIRHD-UGSOOPFHSA-N -1 0 408.454 2.632 50 0 biogenic HFAARM COc1ccc(C(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[n-]2)cc1 ZINC000004248887 568953987 /nfs/dbraw/zinc/95/39/87/568953987.db2.gz VVQMWBJSUPYMGO-UHFFFAOYSA-N -1 0 410.455 2.588 50 0 HFAARM CCOc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000007990199 568966896 /nfs/dbraw/zinc/96/68/96/568966896.db2.gz XUNZXMBZQVPTOP-INIZCTEOSA-N -1 0 409.460 2.597 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)c(OC)c1 ZINC000035378102 569034281 /nfs/dbraw/zinc/03/42/81/569034281.db2.gz LHIRJJSJLBPKEL-UHFFFAOYSA-N -1 0 421.862 2.908 50 0 HFAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cccs1 ZINC000090607323 569041922 /nfs/dbraw/zinc/04/19/22/569041922.db2.gz FTYHCOPCVMTOGQ-MRXNPFEDSA-N -1 0 416.499 2.737 50 0 HFAARM COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000035685276 569050355 /nfs/dbraw/zinc/05/03/55/569050355.db2.gz PLQKQUOCAOSWSP-MRXNPFEDSA-N -1 0 406.398 2.779 50 0 HFAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000006267595 569051951 /nfs/dbraw/zinc/05/19/51/569051951.db2.gz IVFLTOSIHDAZJY-UHFFFAOYSA-N -1 0 419.322 2.688 50 0 HFAARM O=C([O-])[C@H](NC(=O)Cc1ccccc1)[C@@H](O)c1ccc(N=Cc2ccccc2O)cc1 ZINC000252639024 569061062 /nfs/dbraw/zinc/06/10/62/569061062.db2.gz YHIUHAZYYVUUBO-PKTZIBPZSA-N -1 0 418.449 2.988 50 0 HFAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Br ZINC000054294694 569070031 /nfs/dbraw/zinc/07/00/31/569070031.db2.gz WEFBPUCFKSPLBI-UHFFFAOYSA-N -1 0 400.250 2.886 50 0 HFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000036354101 569147949 /nfs/dbraw/zinc/14/79/49/569147949.db2.gz YAFGEVKVCNMDBP-QFIPXVFZSA-N -1 0 407.470 2.669 50 0 HFAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)NCc2ccc(F)cc2F)c3[O-])c1 ZINC000065249922 569205930 /nfs/dbraw/zinc/20/59/30/569205930.db2.gz TVWGELCSJHTXNU-UHFFFAOYSA-N -1 0 410.380 2.936 50 0 HFAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc4c(c2)OCCO4)c3[O-])c1 ZINC000065250042 569206033 /nfs/dbraw/zinc/20/60/33/569206033.db2.gz NLCWCMVRNRNTEM-UHFFFAOYSA-N -1 0 418.409 2.751 50 0 HFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)c(OC)c1 ZINC000065250036 569206058 /nfs/dbraw/zinc/20/60/58/569206058.db2.gz IBUQZGNDIXMNRQ-UHFFFAOYSA-N -1 0 420.425 2.997 50 0 HFAARM O=C([O-])CCCCCNC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1 ZINC000238901373 569228007 /nfs/dbraw/zinc/22/80/07/569228007.db2.gz LSQSPZOGEYNTBN-WKILWMFISA-N -1 0 402.495 2.542 50 0 HFAARM CCc1c([O-])nc(SCC(=O)NC2CCCC2)n(-c2ccccc2OC)c1=O ZINC000065567422 569236204 /nfs/dbraw/zinc/23/62/04/569236204.db2.gz RGMOIQYXGPSULW-UHFFFAOYSA-N -1 0 403.504 2.660 50 0 HFAARM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]c2cc(C)ccn2)c1 ZINC000170598275 569242438 /nfs/dbraw/zinc/24/24/38/569242438.db2.gz MFNWRXKAJPOTSN-UHFFFAOYSA-N -1 0 403.229 2.879 50 0 HFAARM O=C(c1n[n-]c2ccccc2c1=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000170625164 569249958 /nfs/dbraw/zinc/24/99/58/569249958.db2.gz CYEWFJBSYURIAM-INIZCTEOSA-N -1 0 414.259 2.899 50 0 HFAARM Cc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)cc1 ZINC000013576253 569256267 /nfs/dbraw/zinc/25/62/67/569256267.db2.gz ZLGAIBQEMDAYOC-FVNWOWOISA-N -1 0 410.451 2.999 50 0 HFAARM O=C([O-])CCC(=O)Nc1ccccc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013579078 569256349 /nfs/dbraw/zinc/25/63/49/569256349.db2.gz FSOBOCHZDXFALP-UHFFFAOYSA-N -1 0 416.455 2.992 50 0 HFAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002091417 569280345 /nfs/dbraw/zinc/28/03/45/569280345.db2.gz PVLOUJCJHGPYTH-JMERFSKESA-N -1 0 401.459 2.973 50 0 biogenic HFAARM C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000001575988 569284254 /nfs/dbraw/zinc/28/42/54/569284254.db2.gz OEANOUHCLXZBNG-IFXJQAMLSA-N -1 0 409.442 2.595 50 0 HFAARM C[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000002117289 569284720 /nfs/dbraw/zinc/28/47/20/569284720.db2.gz FQIGWWLCXJPYLI-KPENOIPVSA-N -1 0 417.259 2.809 50 0 HFAARM COc1ccc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1OC ZINC000002122275 569285701 /nfs/dbraw/zinc/28/57/01/569285701.db2.gz QUUIYWBNQQNXFI-SFHVURJKSA-N -1 0 411.410 2.603 50 0 biogenic HFAARM COCCCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974373 569322677 /nfs/dbraw/zinc/32/26/77/569322677.db2.gz HMWOONBJLNBWIE-UHFFFAOYSA-N -1 0 407.492 2.501 50 0 HFAARM Cn1c([O-])c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c(=O)n(C)c1=O ZINC000002447597 569401735 /nfs/dbraw/zinc/40/17/35/569401735.db2.gz HVYJKQLNTSIJRK-KRWDZBQOSA-N -1 0 411.845 2.704 50 0 HFAARM CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)cc1 ZINC000079054863 569425810 /nfs/dbraw/zinc/42/58/10/569425810.db2.gz QVNRWNOTTPSADF-UHFFFAOYSA-N -1 0 405.428 2.712 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000079070820 569426658 /nfs/dbraw/zinc/42/66/58/569426658.db2.gz MOLWWKWDKVDPFH-HXUWFJFHSA-N -1 0 404.488 2.795 50 0 HFAARM COC(=O)c1ccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000067349993 571081659 /nfs/dbraw/zinc/08/16/59/571081659.db2.gz OPZZLLAEVAKSJW-UHFFFAOYSA-N -1 0 414.443 2.558 50 0 HFAARM COCCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccncc1 ZINC000008941388 571168607 /nfs/dbraw/zinc/16/86/07/571168607.db2.gz MGVYYDZRGLZOEU-UHFFFAOYSA-N -1 0 400.489 2.577 50 0 HFAARM CC(=O)Nc1cccc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000008991149 571207056 /nfs/dbraw/zinc/20/70/56/571207056.db2.gz PTPKBEJIWJTWGF-UHFFFAOYSA-N -1 0 404.473 2.879 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)NC4CC4)cc3s2)cc1 ZINC000008992959 571207704 /nfs/dbraw/zinc/20/77/04/571207704.db2.gz VOMWFTNJJOSTIS-UHFFFAOYSA-N -1 0 403.485 2.998 50 0 HFAARM O=C([O-])CCCCCNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000008995630 571208478 /nfs/dbraw/zinc/20/84/78/571208478.db2.gz UEPCGBANSVRLRO-UHFFFAOYSA-N -1 0 415.490 2.670 50 0 HFAARM CC(NN1CCCC[C@@H]1c1cccnc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000008995678 571208560 /nfs/dbraw/zinc/20/85/60/571208560.db2.gz IZPXVWQQOKUJLO-MPSQLMGGSA-N -1 0 419.485 2.870 50 0 biogenic HFAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(Cl)cc3Cl)NN2)C1=O ZINC000009058784 571217075 /nfs/dbraw/zinc/21/70/75/571217075.db2.gz MLJUQGVIAWODJZ-HUTFPVNGSA-N -1 0 413.261 2.742 50 0 HFAARM O=C([O-])CCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccc(Cl)cc2)N1 ZINC000009088169 571220104 /nfs/dbraw/zinc/22/01/04/571220104.db2.gz DEGDCKPZMHHXEQ-KRWDZBQOSA-N -1 0 423.860 2.949 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1 ZINC000009675373 571278842 /nfs/dbraw/zinc/27/88/42/571278842.db2.gz FWVUBNLVHLPBFS-HOTGVXAUSA-N -1 0 419.775 2.550 50 0 HFAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684591 571279456 /nfs/dbraw/zinc/27/94/56/571279456.db2.gz SELDYUYRZNKODT-UHFFFAOYSA-N -1 0 419.503 2.845 50 0 HFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)cc1F ZINC000010518344 571304110 /nfs/dbraw/zinc/30/41/10/571304110.db2.gz CXDKNVFURYONKJ-UHFFFAOYSA-N -1 0 404.872 2.721 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(O)cc3)cs2)cc1 ZINC000013692100 571309359 /nfs/dbraw/zinc/30/93/59/571309359.db2.gz BOBUOGFANODJRO-UHFFFAOYSA-N -1 0 419.484 2.839 50 0 HFAARM CCOc1ccc2nc(C)cc(SC[C@@H](NC(=O)CCC(=O)[O-])C(=O)OC)c2c1 ZINC000044920034 521298865 /nfs/dbraw/zinc/29/88/65/521298865.db2.gz VDKKEOPBTRVLNP-MRXNPFEDSA-N -1 0 420.487 2.557 50 0 HFAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)C1 ZINC000239175845 524241916 /nfs/dbraw/zinc/24/19/16/524241916.db2.gz QSYCNTMPHIJYFN-JLSDUUJJSA-N -1 0 406.504 2.713 50 0 HFAARM O=C(/C=C/c1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000042253424 527620949 /nfs/dbraw/zinc/62/09/49/527620949.db2.gz RMTCAHPECDXDOW-GORDUTHDSA-N -1 0 416.274 2.758 50 0 HFAARM Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000000713404 557066957 /nfs/dbraw/zinc/06/69/57/557066957.db2.gz CCEKMTGDSQWNCB-UHFFFAOYSA-N -1 0 418.500 2.695 50 0 HFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(I)cc1 ZINC000001049379 557158753 /nfs/dbraw/zinc/15/87/53/557158753.db2.gz MSHKCCOHDGODSM-UHFFFAOYSA-N -1 0 416.240 2.915 50 0 HFAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)[O-] ZINC000002382513 557342568 /nfs/dbraw/zinc/34/25/68/557342568.db2.gz VQTPRGZNDPHKOU-JTQLQIEISA-N -1 0 407.204 2.517 50 0 HFAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCC3CC3)c(=O)[n-]2)cc1OC ZINC000034766818 557462419 /nfs/dbraw/zinc/46/24/19/557462419.db2.gz JSJGKECPIIEQAN-UHFFFAOYSA-N -1 0 400.479 2.891 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000004662706 557578029 /nfs/dbraw/zinc/57/80/29/557578029.db2.gz PFFGSBIVHXEFOP-UHFFFAOYSA-N -1 0 416.496 2.666 50 0 HFAARM COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000006624368 557710861 /nfs/dbraw/zinc/71/08/61/557710861.db2.gz OTTSLIVXLRPURC-RBZFPXEDSA-N -1 0 414.458 2.843 50 0 biogenic HFAARM CCCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1=O ZINC000009356481 557839091 /nfs/dbraw/zinc/83/90/91/557839091.db2.gz OUNRQBJXGMNUOE-CYBMUJFWSA-N -1 0 422.532 2.531 50 0 HFAARM O=C([O-])/C(=C\c1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000009465812 557843841 /nfs/dbraw/zinc/84/38/41/557843841.db2.gz QUQROPUCOPKTIL-KAMYIIQDSA-N -1 0 421.496 2.929 50 0 HFAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2)cc1Br ZINC000019886413 558302129 /nfs/dbraw/zinc/30/21/29/558302129.db2.gz ZWDZYLNFYIVMFC-UHFFFAOYSA-N -1 0 400.250 2.738 50 0 HFAARM COCCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])cc1OC ZINC000012778248 558462832 /nfs/dbraw/zinc/46/28/32/558462832.db2.gz PRDVHOPZQLEOEH-UHFFFAOYSA-N -1 0 415.851 2.873 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)c1 ZINC000022197335 558466142 /nfs/dbraw/zinc/46/61/42/558466142.db2.gz YIUDQNLRWYXHDQ-UHFFFAOYSA-N -1 0 406.489 2.784 50 0 HFAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-n2c(=O)c(C(C)C)c(C)n2C)cc1 ZINC000004411716 558514602 /nfs/dbraw/zinc/51/46/02/558514602.db2.gz FSMUXXVCRUODTG-UHFFFAOYSA-N -1 0 417.535 2.759 50 0 HFAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000024375881 558596434 /nfs/dbraw/zinc/59/64/34/558596434.db2.gz BNVPDHQLVYLUAS-UHFFFAOYSA-N -1 0 417.512 2.884 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1C ZINC000004484109 558603433 /nfs/dbraw/zinc/60/34/33/558603433.db2.gz QTNRYJHUERNZRS-UXHICEINSA-N -1 0 405.458 2.852 50 0 HFAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2I)c(F)c1 ZINC000072304012 558756652 /nfs/dbraw/zinc/75/66/52/558756652.db2.gz WHSAWRPXACAESX-UHFFFAOYSA-N -1 0 421.187 2.929 50 0 HFAARM CC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)[O-] ZINC000003876650 558780431 /nfs/dbraw/zinc/78/04/31/558780431.db2.gz YCZOCNPWGXMCKK-KRWDZBQOSA-N -1 0 410.515 2.980 50 0 HFAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1Cl)N1CCOCC1 ZINC000016579223 558796288 /nfs/dbraw/zinc/79/62/88/558796288.db2.gz MQHWEEIBEIYFCR-UHFFFAOYSA-N -1 0 412.870 2.893 50 0 HFAARM O=C([O-])CSCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000017090154 558818824 /nfs/dbraw/zinc/81/88/24/558818824.db2.gz LBMVIDVIVOBTBQ-UHFFFAOYSA-N -1 0 414.892 2.897 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@@H](C)O)cc1 ZINC000033014483 558833871 /nfs/dbraw/zinc/83/38/71/558833871.db2.gz URLQHQSEXUIPBN-CYBMUJFWSA-N -1 0 402.476 2.622 50 0 HFAARM COc1cccc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)c1 ZINC000001203634 558838381 /nfs/dbraw/zinc/83/83/81/558838381.db2.gz JYLBHWUTRUTOBB-XNTDXEJSSA-N -1 0 420.206 2.761 50 0 HFAARM CCC(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078703 558868136 /nfs/dbraw/zinc/86/81/36/558868136.db2.gz KMGXFRFATRQYRK-UHFFFAOYSA-N -1 0 424.501 2.802 50 0 HFAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)NCCCOC)c(=O)c2cc1OCC ZINC000004657957 558872210 /nfs/dbraw/zinc/87/22/10/558872210.db2.gz PFSANDLUNDBCAU-UHFFFAOYSA-N -1 0 423.535 2.789 50 0 HFAARM CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000004698839 558906979 /nfs/dbraw/zinc/90/69/79/558906979.db2.gz LGRODFLMHPQSOA-MDWZMJQESA-N -1 0 415.851 2.885 50 0 HFAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)COC)CCC3)c1 ZINC000021756910 558948494 /nfs/dbraw/zinc/94/84/94/558948494.db2.gz SMYGWAWKCGWATG-UHFFFAOYSA-N -1 0 418.515 2.984 50 0 HFAARM C[C@H](NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1n[nH]c(=O)[n-]1 ZINC000067672991 558991008 /nfs/dbraw/zinc/99/10/08/558991008.db2.gz BHTRWISXSOSQKD-QMMMGPOBSA-N -1 0 422.392 2.984 50 0 HFAARM CCS[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1 ZINC000077379631 559003051 /nfs/dbraw/zinc/00/30/51/559003051.db2.gz OQAGXPARISMFEZ-CQSZACIVSA-N -1 0 405.545 2.909 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004863220 559193355 /nfs/dbraw/zinc/19/33/55/559193355.db2.gz XEXSJZFJPPFKHL-AEFFLSMTSA-N -1 0 411.845 2.946 50 0 HFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004884773 559196758 /nfs/dbraw/zinc/19/67/58/559196758.db2.gz OQAOKCUZXFDPHC-UHFFFAOYSA-N -1 0 414.483 2.963 50 0 HFAARM CSCC[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004903020 559200042 /nfs/dbraw/zinc/20/00/42/559200042.db2.gz QBEMGDFNCGVUTQ-NAVNFMRLSA-N -1 0 416.474 2.919 50 0 HFAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000004992505 559225048 /nfs/dbraw/zinc/22/50/48/559225048.db2.gz LGDXRHCKEQCRIU-QZTJIDSGSA-N -1 0 411.849 2.834 50 0 HFAARM CCOc1ccc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC000005016357 559228369 /nfs/dbraw/zinc/22/83/69/559228369.db2.gz OHEODPKUCBQPNM-UHFFFAOYSA-N -1 0 413.459 2.798 50 0 HFAARM CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000005034102 559231759 /nfs/dbraw/zinc/23/17/59/559231759.db2.gz GMEOHAKLIBETND-GFCCVEGCSA-N -1 0 413.459 2.879 50 0 HFAARM CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000005324731 560565193 /nfs/dbraw/zinc/56/51/93/560565193.db2.gz KFJLWXCXIXBOBH-SFHVURJKSA-N -1 0 415.490 2.927 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCC3=O)c2)c(OC)c1 ZINC000005329686 560565557 /nfs/dbraw/zinc/56/55/57/560565557.db2.gz WUYIYIJAFPXCPK-UHFFFAOYSA-N -1 0 406.460 2.640 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(Cl)cc1 ZINC000101169019 560787631 /nfs/dbraw/zinc/78/76/31/560787631.db2.gz GCJBHWXQAUVLGF-JKSUJKDBSA-N -1 0 419.775 2.550 50 0 HFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(C)c1 ZINC000101170645 560787940 /nfs/dbraw/zinc/78/79/40/560787940.db2.gz ZZEUCFPIZWWQHY-UXHICEINSA-N -1 0 405.458 2.852 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)cc1C ZINC000101277485 560790308 /nfs/dbraw/zinc/79/03/08/560790308.db2.gz CGUDLPOXOACCTN-ZWKOTPCHSA-N -1 0 402.414 2.847 50 0 HFAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)c1 ZINC000101277520 560790312 /nfs/dbraw/zinc/79/03/12/560790312.db2.gz VOJPFSXZPYTVJL-ZWKOTPCHSA-N -1 0 418.413 2.547 50 0 HFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)n1 ZINC000101272619 560791005 /nfs/dbraw/zinc/79/10/05/560791005.db2.gz QXCPYYCYONYAIL-SJORKVTESA-N -1 0 424.367 2.817 50 0 HFAARM COc1cccc(C2=NO[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(O)=C23)c1OC ZINC000101309921 560791365 /nfs/dbraw/zinc/79/13/65/560791365.db2.gz XQFZLOSDRJGGPF-QAPCUYQASA-N -1 0 400.818 2.958 50 0 HFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@H]1c1ccccc1 ZINC000101456654 560795526 /nfs/dbraw/zinc/79/55/26/560795526.db2.gz ZGXOYPQHYZNSGT-KRWDZBQOSA-N -1 0 424.844 2.582 50 0 HFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@@H]1c1cccs1 ZINC000101456566 560795540 /nfs/dbraw/zinc/79/55/40/560795540.db2.gz PNKOQWISAVJFRN-MRXNPFEDSA-N -1 0 424.482 2.607 50 0 HFAARM COc1cccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(C)cc2)c1 ZINC000101583331 560797266 /nfs/dbraw/zinc/79/72/66/560797266.db2.gz VCOYXVJGJCQVPE-UHFFFAOYSA-N -1 0 403.442 2.890 50 0 HFAARM CC(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1 ZINC000101762388 560800418 /nfs/dbraw/zinc/80/04/18/560800418.db2.gz XUPDPHRJMKFAEP-GOSISDBHSA-N -1 0 404.470 2.853 50 0 HFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000101892697 560804462 /nfs/dbraw/zinc/80/44/62/560804462.db2.gz ZLDKFBKQZRBLGR-MSOLQXFVSA-N -1 0 418.413 2.629 50 0 HFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)n2)c1 ZINC000101893527 560804546 /nfs/dbraw/zinc/80/45/46/560804546.db2.gz OXMHZRCNBLDYSU-IRXDYDNUSA-N -1 0 406.377 2.678 50 0 HFAARM CCOC(=O)C(=C([O-])Cn1nnc(-c2ccc(Cl)cc2)n1)c1nc(C)cs1 ZINC000103055786 560837078 /nfs/dbraw/zinc/83/70/78/560837078.db2.gz KLPAJRUHJBPCDY-AWEZNQCLSA-N -1 0 405.867 2.674 50 0 HFAARM COc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)c1 ZINC000051316681 560856573 /nfs/dbraw/zinc/85/65/73/560856573.db2.gz UUCLTUHQUHRYGV-UHFFFAOYSA-N -1 0 407.455 2.848 50 0 HFAARM CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)[O-])n1 ZINC000046086434 568428126 /nfs/dbraw/zinc/42/81/26/568428126.db2.gz LPIWAQZUWFQDKJ-SECBINFHSA-N -1 0 408.343 2.677 50 0 HFAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccccc1Br ZINC000006859723 568461877 /nfs/dbraw/zinc/46/18/77/568461877.db2.gz ASPRZEOPQISPHM-UHFFFAOYSA-N -1 0 400.279 2.628 50 0 HFAARM CCOc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)ccc1OCC(=O)[O-] ZINC000095424277 568607632 /nfs/dbraw/zinc/60/76/32/568607632.db2.gz RGIIJZMAVZXIKV-UHFFFAOYSA-N -1 0 409.442 2.707 50 0 HFAARM COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)c1 ZINC000095464124 568622327 /nfs/dbraw/zinc/62/23/27/568622327.db2.gz LOIXSKITIBGQFR-GFCCVEGCSA-N -1 0 400.387 2.940 50 0 HFAARM O=C([O-])c1cnn(-c2cccc(NC(=O)COC[C@@H]3CCCO3)c2)c1C(F)(F)F ZINC000095970450 568671297 /nfs/dbraw/zinc/67/12/97/568671297.db2.gz PYDOXYHOHPHUOY-ZDUSSCGKSA-N -1 0 413.352 2.723 50 0 HFAARM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC(O)(C(=O)[O-])CC3)cc12 ZINC000095970758 568671479 /nfs/dbraw/zinc/67/14/79/568671479.db2.gz VILCWMKUYNNYKU-UHFFFAOYSA-N -1 0 403.435 2.586 50 0 HFAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)nn2cc[nH]c12 ZINC000096013520 568685357 /nfs/dbraw/zinc/68/53/57/568685357.db2.gz QDUGGVZIOJXZAI-UHFFFAOYSA-N -1 0 402.354 2.659 50 0 HFAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 ZINC000096025909 568686540 /nfs/dbraw/zinc/68/65/40/568686540.db2.gz UTOZCJPJVTVEME-INIZCTEOSA-N -1 0 418.519 2.615 50 0 HFAARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096114964 568694524 /nfs/dbraw/zinc/69/45/24/568694524.db2.gz RSUFESHQTASLES-ZDUSSCGKSA-N -1 0 418.833 2.766 50 0 biogenic HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccccc1F ZINC000096319795 568728380 /nfs/dbraw/zinc/72/83/80/568728380.db2.gz QOMFXOYDTLUOOS-HZPDHXFCSA-N -1 0 419.775 2.550 50 0 HFAARM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000242197037 568732246 /nfs/dbraw/zinc/73/22/46/568732246.db2.gz XHGTWSFVYCJASJ-COPLHBTASA-N -1 0 405.875 2.760 50 0 HFAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)n1 ZINC000096379822 568741642 /nfs/dbraw/zinc/74/16/42/568741642.db2.gz BYODRVLKZNKIRQ-UHFFFAOYSA-N -1 0 404.448 2.831 50 0 HFAARM O=C(c1snc2c1nc([O-])n(Cc1ccc(F)cc1)c2=O)N1CCCCCC1 ZINC000096396749 568745271 /nfs/dbraw/zinc/74/52/71/568745271.db2.gz QSHJIYVJEWXOGR-UHFFFAOYSA-N -1 0 402.451 2.762 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000096458330 568753996 /nfs/dbraw/zinc/75/39/96/568753996.db2.gz PQHPVCVJHBDHRR-ROUUACIJSA-N -1 0 411.849 2.889 50 0 HFAARM COc1ccccc1C(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1ccccc1OC ZINC000086066901 568755181 /nfs/dbraw/zinc/75/51/81/568755181.db2.gz KPUYOBHXFAXSMU-UHFFFAOYSA-N -1 0 419.441 2.590 50 0 HFAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)CCc2ccccc2)cc1 ZINC000086066712 568755320 /nfs/dbraw/zinc/75/53/20/568755320.db2.gz PJKJHKLJTGUOER-UHFFFAOYSA-N -1 0 417.469 2.901 50 0 HFAARM COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000000949257 568755450 /nfs/dbraw/zinc/75/54/50/568755450.db2.gz KADLYFAVVAKRCC-UHFFFAOYSA-N -1 0 415.427 2.823 50 0 HFAARM O=C(c1ccco1)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccccc2)CC1 ZINC000022609214 568771789 /nfs/dbraw/zinc/77/17/89/568771789.db2.gz SZEXHZPBHMKPLF-MRXNPFEDSA-N -1 0 409.471 2.637 50 0 HFAARM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002725753 568803959 /nfs/dbraw/zinc/80/39/59/568803959.db2.gz GSPGCXVRRZHDMG-UHFFFAOYSA-N -1 0 407.455 2.940 50 0 HFAARM CCn1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NCCc2ccccc2)n1 ZINC000002809476 568812010 /nfs/dbraw/zinc/81/20/10/568812010.db2.gz QCDRBAMZTJTLKX-IRXDYDNUSA-N -1 0 412.490 2.705 50 0 HFAARM CCn1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NCCc2ccccc2)n1 ZINC000002809477 568812028 /nfs/dbraw/zinc/81/20/28/568812028.db2.gz QCDRBAMZTJTLKX-SJORKVTESA-N -1 0 412.490 2.705 50 0 HFAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])C1=CC[C@H]2C1=CC(=O)OC1 ZINC000257349269 568817771 /nfs/dbraw/zinc/81/77/71/568817771.db2.gz MXFWAFDRZXOGBT-LHWCDSJOSA-N -1 0 402.487 2.589 50 0 HFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000002983261 568834477 /nfs/dbraw/zinc/83/44/77/568834477.db2.gz XHHGICRKFOUSQV-VXKWHMMOSA-N -1 0 416.477 2.840 50 0 HFAARM NC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012605359 568871026 /nfs/dbraw/zinc/87/10/26/568871026.db2.gz RQAUMDLTABVICM-UHFFFAOYSA-N -1 0 410.377 2.791 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCCc3ccccc3)cs2)cc1 ZINC000012628228 568881789 /nfs/dbraw/zinc/88/17/89/568881789.db2.gz ARDGZABZECEWEU-UHFFFAOYSA-N -1 0 417.512 2.925 50 0 HFAARM Cc1noc(C)c1-c1ccc(S(=O)(=O)NCc2nc(-c3ccccn3)no2)s1 ZINC000670446904 568914823 /nfs/dbraw/zinc/91/48/23/568914823.db2.gz RUAGMPXWWOBGNL-UHFFFAOYSA-N -1 0 417.472 2.943 50 0 HFAARM COC(=O)c1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000003953706 568930252 /nfs/dbraw/zinc/93/02/52/568930252.db2.gz GJMHMYRBDUYDGS-UHFFFAOYSA-N -1 0 400.774 2.607 50 0 HFAARM CC[C@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000004090363 568942058 /nfs/dbraw/zinc/94/20/58/568942058.db2.gz WVYRWOMIZDOVFX-ZDUSSCGKSA-N -1 0 403.431 2.563 50 0 biogenic HFAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000004120745 568944772 /nfs/dbraw/zinc/94/47/72/568944772.db2.gz FPNUTXWVSFZQFN-MRXNPFEDSA-N -1 0 415.519 2.977 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)NC2CC2)cc1 ZINC000012777266 568955385 /nfs/dbraw/zinc/95/53/85/568955385.db2.gz WQQBKBWAHSRRPJ-UHFFFAOYSA-N -1 0 420.487 2.796 50 0 HFAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(OC)c3)[n-]c2=O)cc1 ZINC000004317311 568962708 /nfs/dbraw/zinc/96/27/08/568962708.db2.gz NPYXPQNTLRXAAS-UHFFFAOYSA-N -1 0 412.471 2.916 50 0 HFAARM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000012794442 568970715 /nfs/dbraw/zinc/97/07/15/568970715.db2.gz UEBRGMPFHZPXMD-SFHVURJKSA-N -1 0 402.472 2.509 50 0 HFAARM CCCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc3c(c1)CCCC3)c2=O ZINC000015942116 569024258 /nfs/dbraw/zinc/02/42/58/569024258.db2.gz WGWQKRKUDWHANL-UHFFFAOYSA-N -1 0 401.492 2.770 50 0 HFAARM Cc1ccc(CCNC(=O)CC[C@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)cc1 ZINC000006204430 569032779 /nfs/dbraw/zinc/03/27/79/569032779.db2.gz GAXHSYCXCLFYMW-GOSISDBHSA-N -1 0 406.511 2.802 50 0 HFAARM COc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000035684691 569049620 /nfs/dbraw/zinc/04/96/20/569049620.db2.gz MMSCYCDBBLWIEU-INIZCTEOSA-N -1 0 406.398 2.779 50 0 HFAARM COc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2c(-c3ccc(F)cc3)cnn21 ZINC000035685078 569050226 /nfs/dbraw/zinc/05/02/26/569050226.db2.gz WSBJJODFKQWWKI-MRXNPFEDSA-N -1 0 424.388 2.918 50 0 HFAARM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000035686281 569050698 /nfs/dbraw/zinc/05/06/98/569050698.db2.gz VGZRKIOMWNAJEJ-SFHVURJKSA-N -1 0 409.438 2.855 50 0 HFAARM CCn1cc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)n1 ZINC000006490169 569059719 /nfs/dbraw/zinc/05/97/19/569059719.db2.gz ILTWEKZMISJMBQ-CXMPNGEBSA-N -1 0 402.495 2.651 50 0 HFAARM COc1ccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(F)cc2)cc1 ZINC000064580105 569068414 /nfs/dbraw/zinc/06/84/14/569068414.db2.gz PGEORBJJAAWZKO-UHFFFAOYSA-N -1 0 407.405 2.721 50 0 HFAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)COC)c(C(=O)[O-])c2)CC1 ZINC000064589862 569069084 /nfs/dbraw/zinc/06/90/84/569069084.db2.gz KAYUBBNDGXGBSA-UHFFFAOYSA-N -1 0 413.474 2.695 50 0 HFAARM CSc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(N)=O)cnn32)cc1 ZINC000006662674 569085742 /nfs/dbraw/zinc/08/57/42/569085742.db2.gz QRPMDEYGWDUARI-HNNXBMFYSA-N -1 0 410.455 2.785 50 0 HFAARM CSc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(N)=O)cnn32)cc1 ZINC000006662675 569085768 /nfs/dbraw/zinc/08/57/68/569085768.db2.gz QRPMDEYGWDUARI-OAHLLOKOSA-N -1 0 410.455 2.785 50 0 HFAARM Cc1c(CC(=O)NCC2(CC(=O)[O-])CCCCC2)c(=O)oc2cc(O)cc(O)c12 ZINC000006759036 569113128 /nfs/dbraw/zinc/11/31/28/569113128.db2.gz DMWDWTCJPKPTSC-UHFFFAOYSA-N -1 0 403.431 2.597 50 0 HFAARM COc1ccccc1N1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC000036354188 569147947 /nfs/dbraw/zinc/14/79/47/569147947.db2.gz YLECTFPRYYNHAJ-QFIPXVFZSA-N -1 0 423.469 2.682 50 0 HFAARM CN1CC[NH+]([C@@H](C(=O)[O-])c2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])CC1 ZINC000036357765 569149177 /nfs/dbraw/zinc/14/91/77/569149177.db2.gz GHQMZDMEOJWBDO-HXUWFJFHSA-N -1 0 407.470 2.761 50 0 HFAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2ccc(OCC(C)C)cc2)cc2c(=O)[nH]nc1-2 ZINC000524733972 569214057 /nfs/dbraw/zinc/21/40/57/569214057.db2.gz JQFDQIBPDCSISE-QGZVFWFLSA-N -1 0 413.430 2.974 50 0 HFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000002983262 569230113 /nfs/dbraw/zinc/23/01/13/569230113.db2.gz XHHGICRKFOUSQV-YADHBBJMSA-N -1 0 416.477 2.840 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000007409748 569237071 /nfs/dbraw/zinc/23/70/71/569237071.db2.gz RDNQFJFWYBNGIF-UHFFFAOYSA-N -1 0 416.496 2.666 50 0 HFAARM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2)nn1 ZINC000007428245 569238586 /nfs/dbraw/zinc/23/85/86/569238586.db2.gz QWSXWUHGYDATRP-UHFFFAOYSA-N -1 0 409.514 2.800 50 0 HFAARM COCCOC(=O)c1sc2[n-]c([C@H]3COc4ccccc4O3)nc(=O)c2c1C ZINC000170616535 569247445 /nfs/dbraw/zinc/24/74/45/569247445.db2.gz OMVRHWMZYLWXKC-CYBMUJFWSA-N -1 0 402.428 2.609 50 0 HFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2nnn(Cc3ccccc3F)c2C)c(C)c1 ZINC000170617448 569248055 /nfs/dbraw/zinc/24/80/55/569248055.db2.gz AYLJLFYQCLVMDU-UHFFFAOYSA-N -1 0 418.450 2.670 50 0 HFAARM COc1ccc(CCNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1OC ZINC000170624728 569249547 /nfs/dbraw/zinc/24/95/47/569249547.db2.gz VCSILFXXHXNIGQ-ZDUSSCGKSA-N -1 0 408.454 2.814 50 0 HFAARM NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000006681488 569279997 /nfs/dbraw/zinc/27/99/97/569279997.db2.gz HGVMCIHLHUXWJO-UHFFFAOYSA-N -1 0 401.469 2.900 50 0 HFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002095810 569280990 /nfs/dbraw/zinc/28/09/90/569280990.db2.gz UZKUNSSWUYPKMT-SFHVURJKSA-N -1 0 409.438 2.855 50 0 biogenic HFAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000002120403 569285401 /nfs/dbraw/zinc/28/54/01/569285401.db2.gz KPWCFYPBEYRQHC-UHFFFAOYSA-N -1 0 407.422 2.817 50 0 biogenic HFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCC2)cc1 ZINC000002266193 569325679 /nfs/dbraw/zinc/32/56/79/569325679.db2.gz VMEZJTLZWIBLBM-UHFFFAOYSA-N -1 0 411.487 2.989 50 0 HFAARM O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000002275422 569327724 /nfs/dbraw/zinc/32/77/24/569327724.db2.gz LDMKCCVDAFHYRH-VBKFSLOCSA-N -1 0 417.259 2.811 50 0 HFAARM COc1ccc([C@@H](CC(=O)NC(C)C)c2c([O-])cc(C)oc2=O)c(OC)c1OC ZINC000253412869 569366786 /nfs/dbraw/zinc/36/67/86/569366786.db2.gz SIEYBPSSPKBDFI-CQSZACIVSA-N -1 0 405.447 2.726 50 0 biogenic HFAARM Cc1ccc(S(=O)(=O)NCCCC[C@H](NC(=O)Oc2ccccc2)C(=O)[O-])cc1 ZINC000013541917 569390363 /nfs/dbraw/zinc/39/03/63/569390363.db2.gz MKMSCKCPIKRVQP-SFHVURJKSA-N -1 0 420.487 2.685 50 0 HFAARM CN(Cc1nnc2n1CCC2)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000079025670 569424728 /nfs/dbraw/zinc/42/47/28/569424728.db2.gz NYCFKBRTKLVJFR-UHFFFAOYSA-N -1 0 410.478 2.960 50 0 HFAARM CC(C)(C)OC(=O)N=c1s[n-]nc1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000079097352 569427198 /nfs/dbraw/zinc/42/71/98/569427198.db2.gz MBEGTDPPRGFPEP-UHFFFAOYSA-N -1 0 415.516 2.918 50 0 HFAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000008694581 571102230 /nfs/dbraw/zinc/10/22/30/571102230.db2.gz VFSPTJATRPQFKQ-AUSIDOKSSA-N -1 0 405.454 2.880 50 0 HFAARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1 ZINC000040074749 571154617 /nfs/dbraw/zinc/15/46/17/571154617.db2.gz PJZUEZWEDWTDFJ-UHFFFAOYSA-N -1 0 413.503 2.854 50 0 HFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)c1 ZINC000009168607 571233109 /nfs/dbraw/zinc/23/31/09/571233109.db2.gz GDMRHMAMWCJIMO-UHFFFAOYSA-N -1 0 406.460 2.862 50 0 HFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009256701 571243651 /nfs/dbraw/zinc/24/36/51/571243651.db2.gz XUWYOOANMKYTTN-OAHLLOKOSA-N -1 0 414.911 2.594 50 0 HFAARM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000009358196 571251433 /nfs/dbraw/zinc/25/14/33/571251433.db2.gz GUTQLDFUWACKKM-LJQANCHMSA-N -1 0 422.872 2.943 50 0 biogenic HFAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000009378646 571253444 /nfs/dbraw/zinc/25/34/44/571253444.db2.gz GMOHMTRISPOPRS-UHFFFAOYSA-N -1 0 418.500 2.928 50 0 HFAARM CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)c1 ZINC000009410680 571255841 /nfs/dbraw/zinc/25/58/41/571255841.db2.gz JKNHIEAHHYORFM-HNNXBMFYSA-N -1 0 421.500 2.662 50 0 HFAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000009465079 571260909 /nfs/dbraw/zinc/26/09/09/571260909.db2.gz AAEHQDXBYJCEGU-UHFFFAOYSA-N -1 0 418.500 2.695 50 0 HFAARM Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cccc(C)c3)[n-]c2=O)cc1 ZINC000009518126 571265519 /nfs/dbraw/zinc/26/55/19/571265519.db2.gz YDJOPLCHJZMUSN-UHFFFAOYSA-N -1 0 423.498 2.952 50 0 HFAARM COc1cc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)cc(OC)c1 ZINC000009684688 571279605 /nfs/dbraw/zinc/27/96/05/571279605.db2.gz XNXBVPSJUPLRRR-UHFFFAOYSA-N -1 0 421.519 2.696 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCCc1ccccc1 ZINC000009828696 571286985 /nfs/dbraw/zinc/28/69/85/571286985.db2.gz UYJJUTOJFLGYAD-UHFFFAOYSA-N -1 0 401.513 2.845 50 0 HFAARM COc1ccc(-c2cnc(S([O-])=CC(=O)NCc3ccc(F)cc3)n2C)cc1 ZINC000009828764 571287069 /nfs/dbraw/zinc/28/70/69/571287069.db2.gz GTFHEKOARQAGEH-MUUNZHRXSA-N -1 0 401.463 2.659 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1cccc(Cl)c1 ZINC000009835782 571287841 /nfs/dbraw/zinc/28/78/41/571287841.db2.gz WNPXBWFDCIWSLA-CVEARBPZSA-N -1 0 418.240 2.925 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccccc1Cl ZINC000009835772 571287857 /nfs/dbraw/zinc/28/78/57/571287857.db2.gz VCYKFFFQBRXXOI-HZPDHXFCSA-N -1 0 418.240 2.925 50 0 HFAARM CCCNC(=O)[C@H]1CCCN(c2ncccc2[N-]S(=O)(=O)c2ccccc2C)C1 ZINC000033303078 571316107 /nfs/dbraw/zinc/31/61/07/571316107.db2.gz PXERSDJGBDYJGF-KRWDZBQOSA-N -1 0 416.547 2.933 50 0 HFAARM COc1ccccc1N1CCN(CC(=O)Nc2c3cc(C)ccc3[nH]c2C(=O)[O-])CC1 ZINC000002347367 132252989 /nfs/dbraw/zinc/25/29/89/132252989.db2.gz BRJUZLBPTRLNLL-UHFFFAOYSA-N -1 0 422.485 2.944 50 0 HFAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cccs1 ZINC000005144814 132303225 /nfs/dbraw/zinc/30/32/25/132303225.db2.gz ACCCZKJERMJVIB-UHFFFAOYSA-N -1 0 402.501 2.843 50 0 HFAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 ZINC000008694621 132332133 /nfs/dbraw/zinc/33/21/33/132332133.db2.gz CZFOYYLZIKOPQH-XMSQKQJNSA-N -1 0 407.495 2.742 50 0 HFAARM CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1 ZINC000033078756 132502821 /nfs/dbraw/zinc/50/28/21/132502821.db2.gz RYOBQFQPMUPGLQ-UHFFFAOYSA-N -1 0 401.850 2.959 50 0 HFAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)N(C)C)cc1 ZINC000024753677 521208133 /nfs/dbraw/zinc/20/81/33/521208133.db2.gz PAMJXCOXDMULOU-UHFFFAOYSA-N -1 0 408.476 2.605 50 0 HFAARM O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2)N1CCCC1 ZINC000032932338 526610761 /nfs/dbraw/zinc/61/07/61/526610761.db2.gz YEUTYEQMFKNLFW-UHFFFAOYSA-N -1 0 419.890 2.871 50 0 HFAARM CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000790690 557081262 /nfs/dbraw/zinc/08/12/62/557081262.db2.gz BCRWAHBXXMJNBG-UHFFFAOYSA-N -1 0 412.471 2.857 50 0 HFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 ZINC000000898294 557113639 /nfs/dbraw/zinc/11/36/39/557113639.db2.gz ULBVCCXFCIDLOT-UHFFFAOYSA-N -1 0 412.427 2.567 50 0 HFAARM O=C([O-])CCCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccccc2)N1 ZINC000001839638 557291567 /nfs/dbraw/zinc/29/15/67/557291567.db2.gz TVMSYAZJWTWJBQ-SFHVURJKSA-N -1 0 403.442 2.686 50 0 HFAARM O=C([O-])CCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1 ZINC000002271099 557333234 /nfs/dbraw/zinc/33/32/34/557333234.db2.gz WPQDFJGVKTXNCS-SDNWHVSQSA-N -1 0 421.247 2.794 50 0 HFAARM Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cccc1C(=O)[O-] ZINC000002320916 557337150 /nfs/dbraw/zinc/33/71/50/557337150.db2.gz JOBRNKYEAMPRFX-AWEZNQCLSA-N -1 0 408.410 2.721 50 0 HFAARM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000002996235 557438640 /nfs/dbraw/zinc/43/86/40/557438640.db2.gz UHCSTXGMCBBPPP-UHFFFAOYSA-N -1 0 417.443 2.810 50 0 HFAARM CCOC(=O)[C@]([N-]c1ncccn1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103406 557446689 /nfs/dbraw/zinc/44/66/89/557446689.db2.gz SEPGRUHGERDJLQ-OAHLLOKOSA-N -1 0 402.760 2.794 50 0 HFAARM CC(C)COc1ccc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)cc1 ZINC000034763982 557461126 /nfs/dbraw/zinc/46/11/26/557461126.db2.gz NOMGTZYJUIMMJO-UHFFFAOYSA-N -1 0 402.520 2.787 50 0 HFAARM CC(C)COc1cccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)c1 ZINC000034765621 557462156 /nfs/dbraw/zinc/46/21/56/557462156.db2.gz FGPHOOYDGDDQGC-UHFFFAOYSA-N -1 0 407.474 2.923 50 0 HFAARM O=C(CCc1nnc(-c2cccc(Cl)c2)[n-]c1=O)NCc1ccc2c(c1)OCO2 ZINC000034767936 557462731 /nfs/dbraw/zinc/46/27/31/557462731.db2.gz WWUUCZJRIISTGE-UHFFFAOYSA-N -1 0 412.833 2.875 50 0 HFAARM CCOC(=O)C1CCN(C(=O)CCc2nnc(-c3cccc(Cl)c3)[n-]c2=O)CC1 ZINC000034767908 557462751 /nfs/dbraw/zinc/46/27/51/557462751.db2.gz CHNNZHFZWSRXNM-UHFFFAOYSA-N -1 0 418.881 2.632 50 0 HFAARM COc1cc(OC)cc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000034768201 557462966 /nfs/dbraw/zinc/46/29/66/557462966.db2.gz AGLAEAIUHFNDLG-UHFFFAOYSA-N -1 0 412.421 2.650 50 0 HFAARM COC(=O)c1ccc(N[C@H]2SC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000004271901 557533961 /nfs/dbraw/zinc/53/39/61/557533961.db2.gz MZEAFMIIERKYMQ-HNNXBMFYSA-N -1 0 400.412 2.805 50 0 HFAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000004474016 557557089 /nfs/dbraw/zinc/55/70/89/557557089.db2.gz JPFOIBXQRIEWIH-KJAJEWJFSA-N -1 0 409.417 2.596 50 0 HFAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(I)c1OC(C)C ZINC000004702332 557583974 /nfs/dbraw/zinc/58/39/74/557583974.db2.gz FEVQVBDWEHFFEK-WDZFZDKYSA-N -1 0 416.215 2.657 50 0 HFAARM COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000004704891 557584939 /nfs/dbraw/zinc/58/49/39/557584939.db2.gz OZWAJGXFXHXTNU-NVNXTCNLSA-N -1 0 416.817 2.905 50 0 HFAARM Cc1c(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)nn1C ZINC000002777658 557761039 /nfs/dbraw/zinc/76/10/39/557761039.db2.gz HAJJTWOJEJNYNS-QMMMGPOBSA-N -1 0 405.911 2.970 50 0 HFAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(S(N)(=O)=O)c3)s2)cs1 ZINC000008636556 557797717 /nfs/dbraw/zinc/79/77/17/557797717.db2.gz YSYIHQYYTWATDU-UHFFFAOYSA-N -1 0 415.543 2.628 50 0 HFAARM CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C1=O ZINC000009260872 557833182 /nfs/dbraw/zinc/83/31/82/557833182.db2.gz FDPLZYZRFOMJEO-IZZDOVSWSA-N -1 0 416.249 2.977 50 0 HFAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855097 557842180 /nfs/dbraw/zinc/84/21/80/557842180.db2.gz WBESYNDXMHULOH-MRXNPFEDSA-N -1 0 419.938 2.966 50 0 HFAARM CCOC(=O)c1ccc(C(=O)CSc2nnnn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000019854645 558296381 /nfs/dbraw/zinc/29/63/81/558296381.db2.gz AEGWDGSYXBSWAX-UHFFFAOYSA-N -1 0 412.427 2.512 50 0 HFAARM CC(C)(C)Nc1nnc(SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000012795869 558468622 /nfs/dbraw/zinc/46/86/22/558468622.db2.gz CWFXUSGZWMZPQY-ZDUSSCGKSA-N -1 0 406.533 2.879 50 0 HFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nncn1-c1ccccc1 ZINC000013411599 558532139 /nfs/dbraw/zinc/53/21/39/558532139.db2.gz SAUATPTYSPLCAP-GOSISDBHSA-N -1 0 421.482 2.653 50 0 HFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)O[C@H](C)C2 ZINC000024262490 558593647 /nfs/dbraw/zinc/59/36/47/558593647.db2.gz GKSIWESWGAIELL-LLVKDONJSA-N -1 0 404.444 2.540 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1C ZINC000004484093 558603426 /nfs/dbraw/zinc/60/34/26/558603426.db2.gz PHLMTIOMOUVWTO-UXHICEINSA-N -1 0 405.458 2.852 50 0 HFAARM CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C(=O)[O-] ZINC000004557935 558724114 /nfs/dbraw/zinc/72/41/14/558724114.db2.gz FGKCCRFENDUNDY-UHFFFAOYSA-N -1 0 402.472 2.836 50 0 HFAARM Cc1cc([C@@H](C)Nc2ccccc2C(=O)[O-])c2nc(N3CCOCC3)cc(=O)n2c1 ZINC000038628584 558813187 /nfs/dbraw/zinc/81/31/87/558813187.db2.gz IRTDIKMSKMREGO-OAHLLOKOSA-N -1 0 408.458 2.711 50 0 in-man HFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(OC)c3ncccc23)c1 ZINC000071422430 558897930 /nfs/dbraw/zinc/89/79/30/558897930.db2.gz WJGGOQCBAOVNPR-UHFFFAOYSA-N -1 0 416.455 2.533 50 0 HFAARM COc1cccc(F)c1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071760109 558910142 /nfs/dbraw/zinc/91/01/42/558910142.db2.gz SYBVWNUXRBIKMQ-UHFFFAOYSA-N -1 0 411.476 2.937 50 0 HFAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)c(C(=O)[O-])c1 ZINC000033253048 558921223 /nfs/dbraw/zinc/92/12/23/558921223.db2.gz QKXIIAOPEKBJNF-UHFFFAOYSA-N -1 0 407.467 2.612 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)cc1 ZINC000097940950 558946056 /nfs/dbraw/zinc/94/60/56/558946056.db2.gz FRMFPLDVMOLXKZ-UHFFFAOYSA-N -1 0 418.475 2.879 50 0 HFAARM CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000061719473 558946498 /nfs/dbraw/zinc/94/64/98/558946498.db2.gz HJYNJPZWTAKYDE-HXUWFJFHSA-N -1 0 409.467 2.574 50 0 HFAARM COC(=O)c1ccccc1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccc(F)cc2)=NO1 ZINC000004785006 559063295 /nfs/dbraw/zinc/06/32/95/559063295.db2.gz HZVJFCNVKYGWON-FQEVSTJZSA-N -1 0 400.362 2.589 50 0 HFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4)c=3c2=O)cc1Cl ZINC000100036749 559129009 /nfs/dbraw/zinc/12/90/09/559129009.db2.gz CJDOBEKZPUNZQL-IRXDYDNUSA-N -1 0 415.812 2.719 50 0 HFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000005153843 559254329 /nfs/dbraw/zinc/25/43/29/559254329.db2.gz IFVAWFGIHIQXBD-GFCCVEGCSA-N -1 0 400.456 2.670 50 0 HFAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)cc5)c(=O)c3=4)n2)cc1 ZINC000038487655 559256544 /nfs/dbraw/zinc/25/65/44/559256544.db2.gz FGMIQVXNQDTHLI-MSOLQXFVSA-N -1 0 402.414 2.847 50 0 HFAARM Cc1nc(-c2coc3cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc3c2=O)cs1 ZINC000011865717 559263903 /nfs/dbraw/zinc/26/39/03/559263903.db2.gz YVOFWYFEBHEBNQ-GOSISDBHSA-N -1 0 416.455 2.829 50 0 HFAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000005252812 560551819 /nfs/dbraw/zinc/55/18/19/560551819.db2.gz XSFXEKVXQSJJBD-UHFFFAOYSA-N -1 0 411.439 2.505 50 0 HFAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(Cl)cc(Cl)c3OC(=O)[C@@H]12 ZINC000005390658 560581933 /nfs/dbraw/zinc/58/19/33/560581933.db2.gz BKTZGNMQJKBKNL-BRDIYROLSA-N -1 0 404.252 2.969 50 0 HFAARM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(OC)c1 ZINC000005516223 560604189 /nfs/dbraw/zinc/60/41/89/560604189.db2.gz ULNIZXPMJACEFS-UHFFFAOYSA-N -1 0 416.496 2.666 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccc(Cl)c(Cl)c1 ZINC000018162381 560780685 /nfs/dbraw/zinc/78/06/85/560780685.db2.gz WWZMVQTZPIBEDI-JKSUJKDBSA-N -1 0 418.240 2.925 50 0 HFAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000101170729 560787918 /nfs/dbraw/zinc/78/79/18/560787918.db2.gz ZAEFKBAALWCNRM-OALUTQOASA-N -1 0 422.441 2.592 50 0 HFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccccc1Cl ZINC000101416110 560794593 /nfs/dbraw/zinc/79/45/93/560794593.db2.gz VCYKFFFQBRXXOI-HOTGVXAUSA-N -1 0 418.240 2.925 50 0 HFAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101417014 560794803 /nfs/dbraw/zinc/79/48/03/560794803.db2.gz XPAZJUQUPZABIZ-VQTJNVASSA-N -1 0 421.457 2.751 50 0 HFAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1cccs1 ZINC000101456546 560795569 /nfs/dbraw/zinc/79/55/69/560795569.db2.gz BQQAYTZSMSOJLW-AWEZNQCLSA-N -1 0 402.476 2.507 50 0 HFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2 ZINC000101581112 560797138 /nfs/dbraw/zinc/79/71/38/560797138.db2.gz UURSOTXSBVFFQH-AZUAARDMSA-N -1 0 421.453 2.691 50 0 HFAARM COc1ccc(C(=O)[O-])cc1N1C(=O)C[C@H](c2c(C)nn(-c3ccccc3)c2N)C1=O ZINC000101702025 560798416 /nfs/dbraw/zinc/79/84/16/560798416.db2.gz GEICKLFFUQTSJA-OAHLLOKOSA-N -1 0 420.425 2.517 50 0 HFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000101764477 560801057 /nfs/dbraw/zinc/80/10/57/560801057.db2.gz DHPZIBHWYOSINM-GFCCVEGCSA-N -1 0 423.292 2.609 50 0 HFAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000101893091 560804587 /nfs/dbraw/zinc/80/45/87/560804587.db2.gz XZRUOEKFEFOONB-HZPDHXFCSA-N -1 0 408.805 2.883 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)C2CC2)c(OC)c1 ZINC000012068230 560888229 /nfs/dbraw/zinc/88/82/29/560888229.db2.gz SMPRLLAQMMVSFE-UHFFFAOYSA-N -1 0 402.472 2.804 50 0 HFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 ZINC000049030405 568445768 /nfs/dbraw/zinc/44/57/68/568445768.db2.gz YFISFKKNRIERLP-HNNXBMFYSA-N -1 0 405.476 2.869 50 0 HFAARM Cc1ccc(OC2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)cc1 ZINC000222298948 568514646 /nfs/dbraw/zinc/51/46/46/568514646.db2.gz UPFFULAWZCPPNQ-JOCHJYFZSA-N -1 0 402.491 2.659 50 0 HFAARM O=C([O-])CCCn1c(/C=C\c2cnc(N3CCCC3)nc2)nc2ccccc2c1=O ZINC000096130142 568639936 /nfs/dbraw/zinc/63/99/36/568639936.db2.gz BJDCEAITODVDHD-KTKRTIGZSA-N -1 0 405.458 2.822 50 0 HFAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)cc1 ZINC000020989808 568655578 /nfs/dbraw/zinc/65/55/78/568655578.db2.gz YIJWWJQKPIWRDU-UHFFFAOYSA-N -1 0 418.519 2.637 50 0 HFAARM COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000003121979 568727550 /nfs/dbraw/zinc/72/75/50/568727550.db2.gz RURNLGIPJMJCPU-VIFPVBQESA-N -1 0 400.671 2.724 50 0 HFAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000096319859 568728320 /nfs/dbraw/zinc/72/83/20/568728320.db2.gz FARYJTWZEQLXHM-ZWKOTPCHSA-N -1 0 411.849 2.889 50 0 HFAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000096361171 568739150 /nfs/dbraw/zinc/73/91/50/568739150.db2.gz DZEUZLCGRKOJBG-UHFFFAOYSA-N -1 0 416.459 2.870 50 0 HFAARM O=C(c1snc2c1nc([O-])n(C1CC1)c2=O)N1CCC(Cc2ccccc2)CC1 ZINC000096396708 568745243 /nfs/dbraw/zinc/74/52/43/568745243.db2.gz KAUPZLKYZDREBF-UHFFFAOYSA-N -1 0 410.499 2.988 50 0 HFAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccccc2F)cc1 ZINC000021796114 568753800 /nfs/dbraw/zinc/75/38/00/568753800.db2.gz XHVXNZGXSLCBMS-UHFFFAOYSA-N -1 0 407.405 2.721 50 0 HFAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccccc1F ZINC000086066899 568755293 /nfs/dbraw/zinc/75/52/93/568755293.db2.gz FTEZVDWWTHBUCD-UHFFFAOYSA-N -1 0 407.405 2.721 50 0 HFAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CCc3ccccc3C2)c1OC ZINC000001183705 568822048 /nfs/dbraw/zinc/82/20/48/568822048.db2.gz CBNFQUNSCJZCSK-BQYQJAHWSA-N -1 0 403.456 2.549 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCCC(N)=O)nc2c1 ZINC000012508459 568840123 /nfs/dbraw/zinc/84/01/23/568840123.db2.gz PTXQHLPWBOAINU-UHFFFAOYSA-N -1 0 407.473 2.605 50 0 HFAARM CCCCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012526367 568843231 /nfs/dbraw/zinc/84/32/31/568843231.db2.gz PPWYLIADWKZNMX-UHFFFAOYSA-N -1 0 416.503 2.967 50 0 HFAARM COCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1OC)c2=O ZINC000003043783 568848187 /nfs/dbraw/zinc/84/81/87/568848187.db2.gz FEUABZXLDPODLH-UHFFFAOYSA-N -1 0 413.499 2.508 50 0 HFAARM C[C@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000012551876 568853773 /nfs/dbraw/zinc/85/37/73/568853773.db2.gz ZODUUIARNBFQQK-ZDUSSCGKSA-N -1 0 414.487 2.529 50 0 HFAARM CC(C)NS(=O)(=O)Cc1ccccc1Cn1c(=O)c2ccccc2[n-]c1=S ZINC000012557944 568856534 /nfs/dbraw/zinc/85/65/34/568856534.db2.gz YGBLOKNQMJUXJE-UHFFFAOYSA-N -1 0 403.529 2.935 50 0 HFAARM COc1cccc(CNC(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000012628100 568881853 /nfs/dbraw/zinc/88/18/53/568881853.db2.gz AAKRSQLTMMEXMC-UHFFFAOYSA-N -1 0 403.485 2.883 50 0 HFAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(Cc2ccccc2)c1[O-] ZINC000003985230 568931246 /nfs/dbraw/zinc/93/12/46/568931246.db2.gz ZKBNDKNQZXPRLV-OAQYLSRUSA-N -1 0 416.481 2.739 50 0 biogenic HFAARM CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])cc1 ZINC000004001634 568932697 /nfs/dbraw/zinc/93/26/97/568932697.db2.gz WBTPWIBUKRGAKJ-UHFFFAOYSA-N -1 0 418.471 2.640 50 0 HFAARM Cc1cc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000004030018 568934391 /nfs/dbraw/zinc/93/43/91/568934391.db2.gz SZAINTMSBVNTTE-SFHVURJKSA-N -1 0 421.449 2.781 50 0 biogenic HFAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000004029492 568934415 /nfs/dbraw/zinc/93/44/15/568934415.db2.gz VGHXGZSHHJPAEB-KUHUBIRLSA-N -1 0 409.438 2.935 50 0 biogenic HFAARM CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000004120913 568944832 /nfs/dbraw/zinc/94/48/32/568944832.db2.gz JBXLBQUMKOUYSF-HNNXBMFYSA-N -1 0 419.482 2.807 50 0 HFAARM Cc1nc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cs1 ZINC000007995596 568967401 /nfs/dbraw/zinc/96/74/01/568967401.db2.gz YWWMFJFEBHBORX-UHFFFAOYSA-N -1 0 417.516 2.840 50 0 HFAARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1 ZINC000005277160 569007655 /nfs/dbraw/zinc/00/76/55/569007655.db2.gz FWXXTUBQVSPCRV-CPNJWEJPSA-N -1 0 413.499 2.788 50 0 HFAARM COc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397419 569034896 /nfs/dbraw/zinc/03/48/96/569034896.db2.gz UOFWFPWMMGLDNB-UHFFFAOYSA-N -1 0 405.476 2.970 50 0 HFAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1 ZINC000006395717 569046629 /nfs/dbraw/zinc/04/66/29/569046629.db2.gz ZMWPXANMZDQJJE-QZTJIDSGSA-N -1 0 406.504 2.713 50 0 HFAARM COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)N[C@@H](C)C(=O)[O-])CC2 ZINC000006764225 569114314 /nfs/dbraw/zinc/11/43/14/569114314.db2.gz AKCZUQBSLOSRHR-HXPMCKFVSA-N -1 0 402.422 2.973 50 0 HFAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000006770221 569116165 /nfs/dbraw/zinc/11/61/65/569116165.db2.gz XPAZJUQUPZABIZ-WOJBJXKFSA-N -1 0 421.457 2.751 50 0 HFAARM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1)C(=O)[O-] ZINC000064988005 569145504 /nfs/dbraw/zinc/14/55/04/569145504.db2.gz HZWNFPRTCKIALI-JTQLQIEISA-N -1 0 407.835 2.808 50 0 HFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCC3)c2c1 ZINC000065115213 569179255 /nfs/dbraw/zinc/17/92/55/569179255.db2.gz FXJKONRLUWBTPO-UHFFFAOYSA-N -1 0 401.444 2.873 50 0 HFAARM O=C(Nc1ccc2c(c1)OCCO2)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-] ZINC000065249949 569205998 /nfs/dbraw/zinc/20/59/98/569205998.db2.gz RAKSMPCTBPLCCF-UHFFFAOYSA-N -1 0 422.372 2.582 50 0 HFAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)s1 ZINC000007428115 569238520 /nfs/dbraw/zinc/23/85/20/569238520.db2.gz JCRHRWUZYWOSBQ-UHFFFAOYSA-N -1 0 409.514 2.718 50 0 HFAARM COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(Br)n1 ZINC000089608869 569261108 /nfs/dbraw/zinc/26/11/08/569261108.db2.gz QCMXPSVBULUXNL-UHFFFAOYSA-N -1 0 407.267 2.722 50 0 HFAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COc2cccc(OCC(C)C)c2)cc1 ZINC000089856405 569267284 /nfs/dbraw/zinc/26/72/84/569267284.db2.gz AOGTXPNBPBSWIZ-UHFFFAOYSA-N -1 0 405.472 2.808 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NC3CCCCC3)cs2)cc1 ZINC000016954591 569268548 /nfs/dbraw/zinc/26/85/48/569268548.db2.gz OLACVTLRHBPKDJ-UHFFFAOYSA-N -1 0 409.533 2.944 50 0 HFAARM C[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000002117294 569284674 /nfs/dbraw/zinc/28/46/74/569284674.db2.gz FQIGWWLCXJPYLI-YUSFRKCESA-N -1 0 417.259 2.809 50 0 HFAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000002123419 569285709 /nfs/dbraw/zinc/28/57/09/569285709.db2.gz IBKKEOYSFHLJFO-SFHVURJKSA-N -1 0 415.490 2.927 50 0 biogenic HFAARM O=C(COc1ccc2ccc(=O)oc2c1)N[C@@H](CSCc1ccccc1)C(=O)[O-] ZINC000002158323 569290508 /nfs/dbraw/zinc/29/05/08/569290508.db2.gz OZZCVEAXKDOQHZ-KRWDZBQOSA-N -1 0 413.451 2.675 50 0 biogenic HFAARM O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Br ZINC000002275760 569327899 /nfs/dbraw/zinc/32/78/99/569327899.db2.gz BYHOEFGANOUPID-VBKFSLOCSA-N -1 0 417.259 2.811 50 0 HFAARM O=C([O-])c1ccc(S(=O)(=O)NCCCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000012941131 569405102 /nfs/dbraw/zinc/40/51/02/569405102.db2.gz OZRKTJJMBWQCBU-UHFFFAOYSA-N -1 0 402.472 2.571 50 0 HFAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008694588 571102211 /nfs/dbraw/zinc/10/22/11/571102211.db2.gz QUCCZQOGHQTQKT-XXBNENTESA-N -1 0 419.437 2.600 50 0 HFAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008694590 571102239 /nfs/dbraw/zinc/10/22/39/571102239.db2.gz QUCCZQOGHQTQKT-CVDCTZTESA-N -1 0 419.437 2.600 50 0 HFAARM COc1ccccc1OCc1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000040143645 571194119 /nfs/dbraw/zinc/19/41/19/571194119.db2.gz FUMSWSKNBHTPSY-UHFFFAOYSA-N -1 0 413.430 2.767 50 0 HFAARM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000008995252 571208388 /nfs/dbraw/zinc/20/83/88/571208388.db2.gz IMKGFTHKFBVVAQ-HOTGVXAUSA-N -1 0 418.494 2.834 50 0 biogenic HFAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000009002303 571209749 /nfs/dbraw/zinc/20/97/49/571209749.db2.gz HEVVJNCETGCVIE-UHFFFAOYSA-N -1 0 404.469 2.978 50 0 HFAARM CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)c1 ZINC000009410681 571255855 /nfs/dbraw/zinc/25/58/55/571255855.db2.gz JKNHIEAHHYORFM-OAHLLOKOSA-N -1 0 421.500 2.662 50 0 HFAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)c(OC)c1 ZINC000009684034 571279312 /nfs/dbraw/zinc/27/93/12/571279312.db2.gz IMRHCNVWPUAINQ-UHFFFAOYSA-N -1 0 407.492 2.686 50 0 HFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)cc1 ZINC000009684637 571279552 /nfs/dbraw/zinc/27/95/52/571279552.db2.gz OINAQYAINUQHKZ-UHFFFAOYSA-N -1 0 403.504 2.881 50 0 HFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3cccs3)cs2)cc1 ZINC000009828637 571287061 /nfs/dbraw/zinc/28/70/61/571287061.db2.gz FDHZIKGSPNYMGQ-UHFFFAOYSA-N -1 0 423.541 2.873 50 0 HFAARM COCCOc1cc(NS(=O)(=O)c2ccc(C)cc2C)c(C(=O)[O-])cc1OC ZINC000010511946 571304023 /nfs/dbraw/zinc/30/40/23/571304023.db2.gz VEIFWSYYRQNONV-UHFFFAOYSA-N -1 0 409.460 2.836 50 0 HFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc2c(c1)OCO2 ZINC000009821744 571306576 /nfs/dbraw/zinc/30/65/76/571306576.db2.gz XCOPLYLKENNJHS-UHFFFAOYSA-N -1 0 417.468 2.854 50 0 HFAARM