smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000001483057 561675801 /nfs/dbraw/zinc/67/58/01/561675801.db2.gz NFZUQYMHANLXTF-UHFFFAOYSA-N -1 0 503.624 4.792 1 0 KJAFRM C/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1 ZINC000001485002 561675932 /nfs/dbraw/zinc/67/59/32/561675932.db2.gz OSELYMVSMIJBCZ-GXDHUFHOSA-N -1 0 503.433 4.674 1 0 KJAFRM CCCS(=O)(=O)c1cccc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])c1 ZINC000001487922 561676036 /nfs/dbraw/zinc/67/60/36/561676036.db2.gz ONZWWBNTQFHHRY-NRFANRHFSA-N -1 0 536.437 4.932 1 0 KJAFRM CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c(Cl)c1 ZINC000001489844 561676179 /nfs/dbraw/zinc/67/61/79/561676179.db2.gz VZARBYRZKJWXIK-FQEVSTJZSA-N -1 0 569.850 4.728 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NC4CC4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000001490521 561676259 /nfs/dbraw/zinc/67/62/59/561676259.db2.gz KUZMKJHBJRIPSL-VWLOTQADSA-N -1 0 521.639 4.537 1 0 KJAFRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000001490840 561676261 /nfs/dbraw/zinc/67/62/61/561676261.db2.gz HCDXKFVDVPDYPB-ZDUSSCGKSA-N -1 0 549.951 4.884 1 0 KJAFRM CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)c(C)c1 ZINC000001492381 561676383 /nfs/dbraw/zinc/67/63/83/561676383.db2.gz VVGRGSRZVVXEEN-UHFFFAOYSA-N -1 0 535.670 4.926 1 0 KJAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000001493846 561676544 /nfs/dbraw/zinc/67/65/44/561676544.db2.gz IVPCRIWATZMFNO-NDEPHWFRSA-N -1 0 562.626 4.892 1 0 KJAFRM CCCc1nc(-n2cccc2C(=O)C(F)(F)F)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001533884 561676636 /nfs/dbraw/zinc/67/66/36/561676636.db2.gz MGSBGAVGFLLRDU-UHFFFAOYSA-N -1 0 549.513 4.965 1 0 KJAFRM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)c2ccccc2Cl)s1 ZINC000001535339 561676781 /nfs/dbraw/zinc/67/67/81/561676781.db2.gz ZUKXIXVNPIDHHS-RFBIWTDZSA-N -1 0 502.003 4.797 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCc3ccccc32)nc1C(=O)[O-] ZINC000001541952 561677093 /nfs/dbraw/zinc/67/70/93/561677093.db2.gz FHXIXSZXNFMTLA-BJKOFHAPSA-N -1 0 557.651 4.760 1 0 KJAFRM CCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H]([N-]C(=O)C(F)(F)F)CC2 ZINC000001638773 561678107 /nfs/dbraw/zinc/67/81/07/561678107.db2.gz GARIEDXBHKTNKL-HNNXBMFYSA-N -1 0 527.517 4.654 1 0 KJAFRM O=c1c2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc2ncn1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000001651086 561678502 /nfs/dbraw/zinc/67/85/02/561678502.db2.gz QHJRQZOTBSXMQX-UHFFFAOYSA-N -1 0 575.455 4.590 1 0 KJAFRM O=c1c2cc(S(=O)(=O)Nc3c(Cl)cccc3Cl)ccc2ncn1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000001651087 561678481 /nfs/dbraw/zinc/67/84/81/561678481.db2.gz MNMWSQRTWJKIHY-UHFFFAOYSA-N -1 0 575.455 4.590 1 0 KJAFRM Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2N)c([S-])cc1Cl ZINC000001655883 561678877 /nfs/dbraw/zinc/67/88/77/561678877.db2.gz PDMQWTCMIGLFIP-UHFFFAOYSA-N -1 0 513.453 4.544 1 0 KJAFRM O=c1c2cc(I)ccc2nc(-c2cccs2)n1-c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001663524 561679335 /nfs/dbraw/zinc/67/93/35/561679335.db2.gz FLAGAYDJLSVKJZ-UHFFFAOYSA-N -1 0 592.465 4.976 1 0 KJAFRM COc1cc(Cc2c(=O)c3ccccc3n(Cc3cc4c(cc3Cl)OCO4)c2C(=O)[O-])cc(OC)c1OC ZINC000001893510 561680126 /nfs/dbraw/zinc/68/01/26/561680126.db2.gz RFTYKYICXIRDPA-UHFFFAOYSA-N -1 0 537.952 4.747 1 0 KJAFRM CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](C(=O)[O-])CC2 ZINC000003779061 561682313 /nfs/dbraw/zinc/68/23/13/561682313.db2.gz SSLKTPMFZMERSJ-VWLOTQADSA-N -1 0 511.615 4.586 1 0 in-vivo KJAFRM Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCc5ccc(C(=O)[O-])cc5)ccc43)cnc2n1 ZINC000003820329 561683291 /nfs/dbraw/zinc/68/32/91/561683291.db2.gz GMQTWPBHDPZEKG-UHFFFAOYSA-N -1 0 517.549 4.684 1 0 KJAFRM CCCCCN(CC(=O)N(c1ccccc1)C(C)C)C(=O)[C@@H](CCC(=O)[O-])NC(=O)Nc1ccccc1 ZINC000003825339 561683277 /nfs/dbraw/zinc/68/32/77/561683277.db2.gz MDJVHRKPBGKZTO-XMMPIXPASA-N -1 0 510.635 4.502 1 0 KJAFRM CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)[O-])[C@H]2c1ccc2c(c1)OCO2 ZINC000003825437 561683323 /nfs/dbraw/zinc/68/33/23/561683323.db2.gz GLCKXJLCYIJMRB-UPRLRBBYSA-N -1 0 506.551 4.562 1 0 investigational KJAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1 ZINC000003827526 561683397 /nfs/dbraw/zinc/68/33/97/561683397.db2.gz ULOTXPTWJAUGGE-MHZLTWQESA-N -1 0 503.624 4.526 1 0 in-vivo KJAFRM COc1ccc2c([O-])c([C@H](c3cccc(NC(=O)CCNC(=O)OC(C)(C)C)c3)C3CC3)c(=O)oc2c1 ZINC000003833850 561683629 /nfs/dbraw/zinc/68/36/29/561683629.db2.gz UDBQSHPMEQJBIA-QHCPKHFHSA-N -1 0 508.571 4.902 1 0 KJAFRM CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4c(F)cc5c(=O)c(C(=O)[O-])cn(C6CC6)c5c4F)C[C@@H]3C)c(=O)[nH]2)ccc1C ZINC000003839186 561683855 /nfs/dbraw/zinc/68/38/55/561683855.db2.gz BSSRCWTVYSAQCP-NRFANRHFSA-N -1 0 662.738 4.768 1 0 in-vivo KJAFRM CCCCc1nc2ccc([C@H]3CC(C(=O)[O-])=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003843006 561684095 /nfs/dbraw/zinc/68/40/95/561684095.db2.gz WHSOUMJBGANKTK-AREMUKBSSA-N -1 0 549.591 4.537 1 0 KJAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC000003915913 561684889 /nfs/dbraw/zinc/68/48/89/561684889.db2.gz VLYZWOUEQOSDIN-UHFFFAOYSA-N -1 0 558.639 4.810 1 0 KJAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1ccc(CNC(=O)NC2CCOCC2)cc1 ZINC000003918925 561685416 /nfs/dbraw/zinc/68/54/16/561685416.db2.gz UVUUNYFDUPUOJS-AATRIKPKSA-N -1 0 531.396 4.803 1 0 KJAFRM O=C([O-])[C@H](CNC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C(=O)NC2CCCCC2)cc1)NC(=O)OCc1ccccc1 ZINC000003925880 561686689 /nfs/dbraw/zinc/68/66/89/561686689.db2.gz HIKCELHIZSKMGI-LJAQVGFWSA-N -1 0 626.714 4.717 1 0 KJAFRM CCN(CC)c1ncc(N(CC)S(=O)(=O)c2ccc(Cl)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000003926613 561686778 /nfs/dbraw/zinc/68/67/78/561686778.db2.gz RIRGEYRNYCADRL-VWLOTQADSA-N -1 0 645.182 4.894 1 0 KJAFRM CCN(CC)c1ncc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000003926627 561686814 /nfs/dbraw/zinc/68/68/14/561686814.db2.gz KVRKLJMDOXHWKG-DEOSSOPVSA-N -1 0 631.155 4.504 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)N2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000003930446 561687246 /nfs/dbraw/zinc/68/72/46/561687246.db2.gz OVAMYRDVZGRBCF-QHCPKHFHSA-N -1 0 578.474 4.686 1 0 KJAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000003933735 561688062 /nfs/dbraw/zinc/68/80/62/561688062.db2.gz IVPCRIWATZMFNO-MUUNZHRXSA-N -1 0 562.626 4.892 1 0 KJAFRM CC(C)[C@H](NC(=O)C(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000003934233 561688203 /nfs/dbraw/zinc/68/82/03/561688203.db2.gz IZTQNPGUTZTOFG-BUXKBTBVSA-N -1 0 679.234 4.544 1 0 KJAFRM CCCS(=O)(=O)NCCOc1nc(-c2cc(OC)c(OC)c(OC)c2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC ZINC000003934529 561688225 /nfs/dbraw/zinc/68/82/25/561688225.db2.gz KWLKTEPEDKFNSG-UHFFFAOYSA-N -1 0 731.850 4.998 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCC2)nc1C(=O)[O-] ZINC000003935661 561688452 /nfs/dbraw/zinc/68/84/52/561688452.db2.gz MAKSAWWTYOIXFZ-XZOQPEGZSA-N -1 0 537.661 4.620 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)Nc2cccc(F)c2)nc1C(=O)[O-] ZINC000003935662 561688405 /nfs/dbraw/zinc/68/84/05/561688405.db2.gz CEZABYWXBHMBEC-XZOQPEGZSA-N -1 0 549.603 4.948 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)Nc2ccccc2F)nc1C(=O)[O-] ZINC000003935663 561688488 /nfs/dbraw/zinc/68/84/88/561688488.db2.gz BWSWTVFTHVTXER-XZOQPEGZSA-N -1 0 549.603 4.948 1 0 KJAFRM CCCc1nc2c(cc(Br)cc2C)n1CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)OC ZINC000003940100 561689186 /nfs/dbraw/zinc/68/91/86/561689186.db2.gz OQMNGYMSUWNTIE-FQEVSTJZSA-N -1 0 560.470 4.819 1 0 KJAFRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)c1 ZINC000003940167 561689211 /nfs/dbraw/zinc/68/92/11/561689211.db2.gz SXVLRRZGNNRRFR-ACHIHNKUSA-N -1 0 588.664 4.947 1 0 KJAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2S(=O)(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000003941506 561689337 /nfs/dbraw/zinc/68/93/37/561689337.db2.gz YQQUBIXUFFJEJC-FGUUHEIUSA-N -1 0 614.720 4.730 1 0 KJAFRM COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)CC2 ZINC000003946435 561690026 /nfs/dbraw/zinc/69/00/26/561690026.db2.gz RNOGLHJXHZYIMM-NBGIEHNGSA-N -1 0 602.631 4.985 1 0 KJAFRM COc1ccc(N(C(=O)CN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)Nc2ccccc2)c2ccccc2)C(C)C)cc1 ZINC000003946544 561690022 /nfs/dbraw/zinc/69/00/22/561690022.db2.gz AJNASFIBGRDDNH-AREMUKBSSA-N -1 0 546.624 4.525 1 0 KJAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2Cl)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000003953206 561690862 /nfs/dbraw/zinc/69/08/62/561690862.db2.gz UMDYMDQIHPUUHX-FKVSENEQSA-N -1 0 620.146 4.853 1 0 KJAFRM C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)C(=O)N([C@@H](Cc1ccccc1)C(=O)[O-])C3)O2 ZINC000003961382 561691192 /nfs/dbraw/zinc/69/11/92/561691192.db2.gz MUPAWUGNYWIXIO-MOPWFKMTSA-N -1 0 533.665 4.951 1 0 KJAFRM CCCCn1nc(C[C@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1OCCc1ccc2c(n1)NCCC2 ZINC000003962002 561691129 /nfs/dbraw/zinc/69/11/29/561691129.db2.gz NQIOUHXNYUMMLV-OAQYLSRUSA-N -1 0 506.603 4.588 1 0 KJAFRM O=C(N[C@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000003966493 561691738 /nfs/dbraw/zinc/69/17/38/561691738.db2.gz DTYAISJWGQJWJI-HHHXNRCGSA-N -1 0 726.470 4.867 1 0 KJAFRM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[N-]OCc1c(F)c(F)c(F)c(F)c1F ZINC000003974114 561691780 /nfs/dbraw/zinc/69/17/80/561691780.db2.gz LTLDXGLVMLIECU-VXKWHMMOSA-N -1 0 635.586 4.568 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000003974875 561691923 /nfs/dbraw/zinc/69/19/23/561691923.db2.gz WRHKZVFBIZOZCV-GOTSBHOMSA-N -1 0 554.430 4.549 1 0 KJAFRM CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000003979168 561692204 /nfs/dbraw/zinc/69/22/04/561692204.db2.gz KATBPZLMXQIZLF-RPBOFIJWSA-N -1 0 500.620 4.987 1 0 KJAFRM COCCCCN(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000003981132 561692527 /nfs/dbraw/zinc/69/25/27/561692527.db2.gz ATIKCNMCFMFEID-NDEPHWFRSA-N -1 0 634.730 4.786 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)c1c(Cl)cncc1Cl ZINC000003981157 561692502 /nfs/dbraw/zinc/69/25/02/561692502.db2.gz XQYVKXLNFSIYBI-INIZCTEOSA-N -1 0 528.179 4.768 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(NCCO)nc1OCCOc1ncc(Br)cn1 ZINC000003986197 561692889 /nfs/dbraw/zinc/69/28/89/561692889.db2.gz RJOWILAUVKMHJM-UHFFFAOYSA-N -1 0 689.589 4.790 1 0 KJAFRM CCCNC(=O)Nc1cccc(-c2ccc(OC[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)C(=O)[O-])cc2)c1 ZINC000003991566 561693452 /nfs/dbraw/zinc/69/34/52/561693452.db2.gz SXTLBFQXNNGAPB-VWLOTQADSA-N -1 0 539.654 4.621 1 0 KJAFRM COc1ccc([C@H]2Oc3c(cccc3-c3c(=O)c4c(O)cc([O-])cc4oc3-c3ccc(O)cc3)C(=O)[C@H]2O)cc1O ZINC000005853658 561699697 /nfs/dbraw/zinc/69/96/97/561699697.db2.gz LIXLQHZDLFCVIN-PQHLKRTFSA-N -1 0 554.507 4.635 1 0 KJAFRM COc1ccc([C@H]2Oc3c(cccc3-c3c(=O)c4c(O)cc([O-])cc4oc3-c3ccc(O)cc3)C(=O)[C@@H]2O)cc1O ZINC000005853662 561699707 /nfs/dbraw/zinc/69/97/07/561699707.db2.gz LIXLQHZDLFCVIN-MFMCTBQISA-N -1 0 554.507 4.635 1 0 KJAFRM COc1ccc([C@@H]2Oc3c(cccc3-c3c(=O)c4c(O)cc([O-])cc4oc3-c3ccc(O)cc3)C(=O)[C@H]2O)cc1O ZINC000005853664 561699678 /nfs/dbraw/zinc/69/96/78/561699678.db2.gz LIXLQHZDLFCVIN-DGPALRBDSA-N -1 0 554.507 4.635 1 0 KJAFRM O=C1CS[C@]2(CC(/C=C/c3ccccc3O)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000006009727 561701694 /nfs/dbraw/zinc/70/16/94/561701694.db2.gz WTBYICVQVMIPAM-WUZNFDRSSA-N -1 0 564.670 4.962 1 0 KJAFRM O=C1CS[C@@]2(CC(/C=C/c3ccccc3O)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000006009728 561701692 /nfs/dbraw/zinc/70/16/92/561701692.db2.gz WTBYICVQVMIPAM-JYSHFMIGSA-N -1 0 564.670 4.962 1 0 KJAFRM C/C=C/C=C/C1=NN(c2cccc(S(=O)(=O)[O-])c2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009748 561701703 /nfs/dbraw/zinc/70/17/03/561701703.db2.gz PPTKYWBYYLFDAN-WGOUOPTESA-N -1 0 512.638 4.675 1 0 KJAFRM C/C=C/C=C/C1=NN(c2cccc(S(=O)(=O)[O-])c2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009749 561701705 /nfs/dbraw/zinc/70/17/05/561701705.db2.gz PPTKYWBYYLFDAN-NEWYAZFSSA-N -1 0 512.638 4.675 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)Nc2ccccc2)nc1C(=O)[O-] ZINC000006142608 561702746 /nfs/dbraw/zinc/70/27/46/561702746.db2.gz AZRZDILDBHZBRH-PKTZIBPZSA-N -1 0 530.629 4.544 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)Nc2ccccc2)nc1C(=O)[O-] ZINC000006143324 561702748 /nfs/dbraw/zinc/70/27/48/561702748.db2.gz YMRUHNQVVUOZLT-XZOQPEGZSA-N -1 0 531.613 4.809 1 0 KJAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)CO)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000008576535 561705668 /nfs/dbraw/zinc/70/56/68/561705668.db2.gz YAWNVAQKVARTGQ-UHFFFAOYSA-N -1 0 614.522 4.533 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)NCC(C)C)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013436746 561711958 /nfs/dbraw/zinc/71/19/58/561711958.db2.gz GXJLKDJMXLRNOL-QHCPKHFHSA-N -1 0 525.627 4.634 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)NCC(C)C)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013436750 561711964 /nfs/dbraw/zinc/71/19/64/561711964.db2.gz GXJLKDJMXLRNOL-HSZRJFAPSA-N -1 0 525.627 4.634 1 0 KJAFRM COc1ccc(-c2cccc(CNc3ccccn3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013436766 561711961 /nfs/dbraw/zinc/71/19/61/561711961.db2.gz PJBPTAMFALUFDF-DEOSSOPVSA-N -1 0 517.607 4.864 1 0 KJAFRM COc1ccc(-c2cccc(CNc3ccccn3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013436769 561711983 /nfs/dbraw/zinc/71/19/83/561711983.db2.gz PJBPTAMFALUFDF-XMMPIXPASA-N -1 0 517.607 4.864 1 0 KJAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(Nc3ccccn3)cc2)c2ccccc21 ZINC000013437673 561712062 /nfs/dbraw/zinc/71/20/62/561712062.db2.gz NHSGPGHNTBCFQQ-VWLOTQADSA-N -1 0 506.562 4.708 1 0 KJAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(Nc3ccccn3)cc2)c2ccccc21 ZINC000013437677 561712083 /nfs/dbraw/zinc/71/20/83/561712083.db2.gz NHSGPGHNTBCFQQ-RUZDIDTESA-N -1 0 506.562 4.708 1 0 KJAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCCCCCNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000013437690 561712079 /nfs/dbraw/zinc/71/20/79/561712079.db2.gz INPCVLZXNPZINF-QHCPKHFHSA-N -1 0 525.609 4.528 1 0 KJAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCCCCCNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000013437693 561712104 /nfs/dbraw/zinc/71/21/04/561712104.db2.gz INPCVLZXNPZINF-HSZRJFAPSA-N -1 0 525.609 4.528 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(c3ccc(Br)cc3)CCCO2)C(=O)[O-])cc1 ZINC000013442287 561712701 /nfs/dbraw/zinc/71/27/01/561712701.db2.gz DAEPHDSERDJBIQ-HOFKKMOUSA-N -1 0 524.411 4.943 1 0 KJAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(c3ccc(Cl)cc3)CCCO2)C(=O)[O-])cc1 ZINC000013442297 561712716 /nfs/dbraw/zinc/71/27/16/561712716.db2.gz GNBZNYOXBLSXKD-DWACAAAGSA-N -1 0 509.986 4.842 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)NC(=O)c1ccccc1Br ZINC000013443098 561712955 /nfs/dbraw/zinc/71/29/55/561712955.db2.gz NIEFSPXXHYBENH-QHCPKHFHSA-N -1 0 518.367 4.675 1 0 KJAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2c2cncc3ccccc32)C(=O)[O-])cc1 ZINC000013445618 561713094 /nfs/dbraw/zinc/71/30/94/561713094.db2.gz VVWWYYCPGHVEKY-DQEYMECFSA-N -1 0 525.605 4.700 1 0 KJAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)CC(c2ccccc2)c2ccccc2)C3)cc1C ZINC000013446760 561713101 /nfs/dbraw/zinc/71/31/01/561713101.db2.gz VBYQEUUZPPTXCI-NDEPHWFRSA-N -1 0 509.606 4.809 1 0 KJAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)C3)cc1C ZINC000013446766 561713293 /nfs/dbraw/zinc/71/32/93/561713293.db2.gz KUFZBSWHIJUJGB-LSYYVWMOSA-N -1 0 509.606 4.613 1 0 KJAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)[C@H](Cc2ccccc2)c2ccccc2)C3)cc1C ZINC000013446769 561713284 /nfs/dbraw/zinc/71/32/84/561713284.db2.gz KUFZBSWHIJUJGB-NAKRPHOHSA-N -1 0 509.606 4.613 1 0 KJAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)C(C)(c2ccccc2)c2ccccc2)C3)cc1C ZINC000013446771 561713274 /nfs/dbraw/zinc/71/32/74/561713274.db2.gz HESIIZMWXKAOSN-MHZLTWQESA-N -1 0 509.606 4.593 1 0 KJAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)[C@H](c2ccccc2)C2CCCCC2)C3)cc1C ZINC000013446780 561713289 /nfs/dbraw/zinc/71/32/89/561713289.db2.gz RHKDZNQZAUQXLB-XTEPFMGCSA-N -1 0 501.627 4.950 1 0 KJAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)[C@@H](c2ccccc2)C2CCCCC2)C3)cc1C ZINC000013446783 561713237 /nfs/dbraw/zinc/71/32/37/561713237.db2.gz RHKDZNQZAUQXLB-XCZPVHLTSA-N -1 0 501.627 4.950 1 0 KJAFRM CCc1cc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1OC ZINC000013446908 561713232 /nfs/dbraw/zinc/71/32/32/561713232.db2.gz OGQPIZWRZNNTAQ-MHZLTWQESA-N -1 0 509.606 4.672 1 0 KJAFRM CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)[O-])cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455646 561713625 /nfs/dbraw/zinc/71/36/25/561713625.db2.gz XKOLIBBUGVTBIL-IBGZPJMESA-N -1 0 524.633 4.792 1 0 KJAFRM CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)[O-])cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455649 561713631 /nfs/dbraw/zinc/71/36/31/561713631.db2.gz XKOLIBBUGVTBIL-LJQANCHMSA-N -1 0 524.633 4.792 1 0 KJAFRM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000013470125 561713785 /nfs/dbraw/zinc/71/37/85/561713785.db2.gz HZYXDFYJDODHTN-UIFDUCBYSA-N -1 0 516.585 4.964 1 0 KJAFRM Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](Cc3ccc(-c4ccccc4)cc3)C(=O)[O-])CCCCC2)cc1 ZINC000013488129 561715494 /nfs/dbraw/zinc/71/54/94/561715494.db2.gz MRXHIEQNOZEAAP-SANMLTNESA-N -1 0 505.636 4.951 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(S(=O)(=O)Cc2ccccc2)CCCCC1 ZINC000013488131 561715536 /nfs/dbraw/zinc/71/55/36/561715536.db2.gz KNMLEOBPSPDFBD-SANMLTNESA-N -1 0 505.636 4.783 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)C3CCCCC3)CCCC2)C(=O)[O-])cc1 ZINC000013488139 561715519 /nfs/dbraw/zinc/71/55/19/561715519.db2.gz AEMBNJITTWJYBV-DEOSSOPVSA-N -1 0 513.656 4.534 1 0 KJAFRM CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)C(=O)[O-])cc2)c1 ZINC000013488340 561715532 /nfs/dbraw/zinc/71/55/32/561715532.db2.gz XNPQTWYQUUYENN-VWLOTQADSA-N -1 0 523.655 4.785 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NC(C)C)c3)cc2)C(=O)[O-])c(C)c1 ZINC000013488344 561715482 /nfs/dbraw/zinc/71/54/82/561715482.db2.gz VPTRDGDTSDXFKT-VWLOTQADSA-N -1 0 523.655 4.783 1 0 KJAFRM CCCNC(=O)Nc1cccc(-c2cccc(C[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)C(=O)[O-])c2)c1 ZINC000013488345 561715524 /nfs/dbraw/zinc/71/55/24/561715524.db2.gz KTQPBYGWLZAFSS-VWLOTQADSA-N -1 0 523.655 4.785 1 0 KJAFRM CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000013488356 561715559 /nfs/dbraw/zinc/71/55/59/561715559.db2.gz IIRPGRQYSBGVCA-UHFFFAOYSA-N -1 0 521.643 4.618 1 0 KJAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CC(=O)NC(C)(C)C)c1C ZINC000013492870 561716553 /nfs/dbraw/zinc/71/65/53/561716553.db2.gz IYEPVPVXSCCBFG-UHFFFAOYSA-N -1 0 508.600 4.871 1 0 KJAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNc2ccncn2)c1C ZINC000013492878 561716533 /nfs/dbraw/zinc/71/65/33/561716533.db2.gz VHHUBYWYNJXLPT-UHFFFAOYSA-N -1 0 502.556 4.816 1 0 KJAFRM COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1CC(=O)CCCCC(=O)[O-])oc1ccccc12 ZINC000013521344 561717010 /nfs/dbraw/zinc/71/70/10/561717010.db2.gz AGEJSDATIXGYNN-VTKXYJJGSA-N -1 0 513.612 4.892 1 0 KJAFRM CSc1ccc(-c2ccc(S[C@H]3CC[C@@H](Cn4c(=O)nc5ccccn5c4=O)[C@@H]3C(=O)[O-])cc2)cc1 ZINC000013525922 561717294 /nfs/dbraw/zinc/71/72/94/561717294.db2.gz FWGPCZGIMGDSOM-APTRMMRNSA-N -1 0 519.648 4.517 1 0 KJAFRM C/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(OCC(F)(F)F)cc3)oc2C)c1 ZINC000013558119 561719070 /nfs/dbraw/zinc/71/90/70/561719070.db2.gz DZAKQVRQMOFUND-XNTDXEJSSA-N -1 0 517.460 4.717 1 0 KJAFRM C/C(=C\Cn1oc(=O)[n-]c1=O)c1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1 ZINC000013558125 561719142 /nfs/dbraw/zinc/71/91/42/561719142.db2.gz DTCVPDIPNHNHBR-RVDMUPIBSA-N -1 0 501.461 4.837 1 0 KJAFRM Cc1oc(-c2ccc(OC(F)(F)F)cc2)nc1COc1cccc([C@@H](C)CCn2oc(=O)[n-]c2=O)c1 ZINC000013558140 561719167 /nfs/dbraw/zinc/71/91/67/561719167.db2.gz DARZCBKMQNKBLP-AWEZNQCLSA-N -1 0 505.449 4.764 1 0 KJAFRM Cc1oc(-c2ccc(OC(F)(F)F)cc2)nc1COc1cccc([C@H](C)CCn2oc(=O)[n-]c2=O)c1 ZINC000013558141 561719217 /nfs/dbraw/zinc/71/92/17/561719217.db2.gz DARZCBKMQNKBLP-CQSZACIVSA-N -1 0 505.449 4.764 1 0 KJAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc([C@@]2(C)C[C@@H]2Cn2oc(=O)[n-]c2=O)c1 ZINC000013558149 561719226 /nfs/dbraw/zinc/71/92/26/561719226.db2.gz LNSFOGZCBFTNFB-HOYKHHGWSA-N -1 0 501.461 4.669 1 0 KJAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc([C@]2(C)C[C@@H]2Cn2oc(=O)[n-]c2=O)c1 ZINC000013558150 561719212 /nfs/dbraw/zinc/71/92/12/561719212.db2.gz LNSFOGZCBFTNFB-KOSHJBKYSA-N -1 0 501.461 4.669 1 0 KJAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc([C@@]2(C)C[C@H]2Cn2oc(=O)[n-]c2=O)c1 ZINC000013558151 561719156 /nfs/dbraw/zinc/71/91/56/561719156.db2.gz LNSFOGZCBFTNFB-MHECFPHRSA-N -1 0 501.461 4.669 1 0 KJAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc([C@]2(C)C[C@H]2Cn2oc(=O)[n-]c2=O)c1 ZINC000013558152 561719146 /nfs/dbraw/zinc/71/91/46/561719146.db2.gz LNSFOGZCBFTNFB-UUOWRZLLSA-N -1 0 501.461 4.669 1 0 KJAFRM COc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc(/C(C)=C/Cn2oc(=O)[n-]c2=O)c1 ZINC000013558159 561719172 /nfs/dbraw/zinc/71/91/72/561719172.db2.gz WLVKJJMYKHHHSC-RIYZIHGNSA-N -1 0 517.460 4.803 1 0 KJAFRM CCCC/C(=C\Cn1oc(=O)n(CC(=O)[O-])c1=O)c1cccc(OCc2cc(Cl)cc(Cl)c2)c1 ZINC000013558177 561719134 /nfs/dbraw/zinc/71/91/34/561719134.db2.gz GJDGRPANGSKGGU-CAOOACKPSA-N -1 0 507.370 4.847 1 0 KJAFRM O=C(NCCc1ccccc1)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)C[P@](=O)([O-])O ZINC000013558489 561719328 /nfs/dbraw/zinc/71/93/28/561719328.db2.gz OXBBHJALLZTSBF-SXOMAYOGSA-N -1 0 528.630 4.617 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(CCC3CCCCC3)c3ccccc32)n1 ZINC000013561038 561719821 /nfs/dbraw/zinc/71/98/21/561719821.db2.gz ZMUVTNWMWOXWGB-MVSFAKPFSA-N -1 0 528.653 4.776 1 0 KJAFRM CCCCC[C@]1([C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])NCC(=O)N(Cc2ccc(OC)cc2)c2ccccc21 ZINC000013561050 561719843 /nfs/dbraw/zinc/71/98/43/561719843.db2.gz AAKCZJIYTMOXJF-OFSOJUDTSA-N -1 0 532.641 4.546 1 0 KJAFRM COc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000013583213 561720306 /nfs/dbraw/zinc/72/03/06/561720306.db2.gz KTSWYJBLLHNRLO-UHFFFAOYSA-N -1 0 517.611 4.644 1 0 KJAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000013600000 561721482 /nfs/dbraw/zinc/72/14/82/561721482.db2.gz FKYBDZSZSPXNKE-DSITVLBTSA-N -1 0 522.623 4.591 1 0 KJAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000013600004 561721457 /nfs/dbraw/zinc/72/14/57/561721457.db2.gz FKYBDZSZSPXNKE-SDHOMARFSA-N -1 0 522.623 4.591 1 0 KJAFRM O=C([O-])c1ccc2c(c1)n(CC(=O)N1CCS(=O)(=O)CC1)c(-c1ccc(Cl)cc1)c2C1CCCCC1 ZINC000013646590 561722711 /nfs/dbraw/zinc/72/27/11/561722711.db2.gz KBRMMPNHNZOTJS-UHFFFAOYSA-N -1 0 529.058 4.965 1 0 KJAFRM CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCC(=O)[O-])cc2)[C@H]1O ZINC000013673073 561723727 /nfs/dbraw/zinc/72/37/27/561723727.db2.gz RIWMMOMSPZZEDA-KAYWLYCHSA-N -1 0 517.688 4.863 1 0 KJAFRM COc1ccc(C(=O)NCCS[C@@H]2c3ccccc3COc3ccc(C(=O)[O-])cc32)c(OC)c1OC ZINC000013727006 561725125 /nfs/dbraw/zinc/72/51/25/561725125.db2.gz FZVHJMCCRMIZBZ-RUZDIDTESA-N -1 0 509.580 4.556 1 0 KJAFRM COc1ccc(C(=O)NCCS[C@H]2c3ccccc3COc3ccc(C(=O)[O-])cc32)c(OC)c1OC ZINC000013727009 561725126 /nfs/dbraw/zinc/72/51/26/561725126.db2.gz FZVHJMCCRMIZBZ-VWLOTQADSA-N -1 0 509.580 4.556 1 0 KJAFRM COc1cc(C(=O)NCCS[C@@H]2c3ccccc3COc3ccc(C(=O)[O-])cc32)cc(OC)c1OC ZINC000013727012 561725155 /nfs/dbraw/zinc/72/51/55/561725155.db2.gz MBJVOGHLUUNQDV-RUZDIDTESA-N -1 0 509.580 4.556 1 0 KJAFRM COc1cc(C(=O)NCCS[C@H]2c3ccccc3COc3ccc(C(=O)[O-])cc32)cc(OC)c1OC ZINC000013727015 561725154 /nfs/dbraw/zinc/72/51/54/561725154.db2.gz MBJVOGHLUUNQDV-VWLOTQADSA-N -1 0 509.580 4.556 1 0 KJAFRM COc1ccc2c([O-])c([C@@H](c3cccc(NC(=O)CCNC(=O)OC(C)(C)C)c3)C3CC3)c(=O)oc2c1 ZINC000013743243 561726380 /nfs/dbraw/zinc/72/63/80/561726380.db2.gz UDBQSHPMEQJBIA-HSZRJFAPSA-N -1 0 508.571 4.902 1 0 KJAFRM CC[C@@H](C)[C@H](NC(=O)c1cccc([C@@H](CC)c2c([O-])c3ccccc3oc2=O)c1)C(=O)NCc1ccccn1 ZINC000013743248 561726404 /nfs/dbraw/zinc/72/64/04/561726404.db2.gz KHHVNVWDPJKWLP-PSNDRKBRSA-N -1 0 527.621 4.896 1 0 KJAFRM CC[C@H](c1cccc(C(=O)N[C@H](C(=O)NCc2ccccn2)[C@@H](C)CC)c1)c1c([O-])c2ccccc2oc1=O ZINC000013743249 561726287 /nfs/dbraw/zinc/72/62/87/561726287.db2.gz KHHVNVWDPJKWLP-OPWBJGKSSA-N -1 0 527.621 4.896 1 0 KJAFRM CC[C@@H](C)[C@H](NC(=O)c1cccc([C@H](CC)c2c([O-])c3ccccc3oc2=O)c1)C(=O)NCc1ccccn1 ZINC000013743250 561726293 /nfs/dbraw/zinc/72/62/93/561726293.db2.gz KHHVNVWDPJKWLP-HEXNQTKTSA-N -1 0 527.621 4.896 1 0 KJAFRM CC[C@H](C)[C@H](NC(=O)c1cccc([C@H](CC)c2c([O-])c3ccccc3oc2=O)c1)C(=O)NCc1ccccn1 ZINC000013743251 561726349 /nfs/dbraw/zinc/72/63/49/561726349.db2.gz KHHVNVWDPJKWLP-UHORWHLBSA-N -1 0 527.621 4.896 1 0 KJAFRM CCCCc1nc(C)n(Cc2occc2C(=O)[O-])c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013744589 561726587 /nfs/dbraw/zinc/72/65/87/561726587.db2.gz WWQQLYKZONSZCD-UHFFFAOYSA-N -1 0 524.581 4.672 1 0 KJAFRM Cc1oc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000013746791 561726876 /nfs/dbraw/zinc/72/68/76/561726876.db2.gz XWIKGWWJRNWKJJ-XZOQPEGZSA-N -1 0 523.634 4.563 1 0 KJAFRM Cc1oc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCC2)nc1C(=O)[O-] ZINC000013746798 561726871 /nfs/dbraw/zinc/72/68/71/561726871.db2.gz OLDYFOJNCTZZEK-XZOQPEGZSA-N -1 0 523.634 4.609 1 0 KJAFRM Cc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)c(C(C)(C)C)c1 ZINC000013747501 561727020 /nfs/dbraw/zinc/72/70/20/561727020.db2.gz NKAJMHPRXJBMAQ-WOJBJXKFSA-N -1 0 510.697 4.583 1 0 KJAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@H](C)C(=O)[N-]S(C)(=O)=O)cc1 ZINC000013756226 561727118 /nfs/dbraw/zinc/72/71/18/561727118.db2.gz OBDCNIDTMGTTFD-CPJSRVTESA-N -1 0 504.656 4.503 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000013776519 561728515 /nfs/dbraw/zinc/72/85/15/561728515.db2.gz JDPFRXJCWCXTRX-DYMXBBCQSA-N -1 0 521.658 4.924 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000013776522 561728551 /nfs/dbraw/zinc/72/85/51/561728551.db2.gz VKDPOXLXRQRSKD-FGJMNXTGSA-N -1 0 521.658 4.780 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000013776523 561728512 /nfs/dbraw/zinc/72/85/12/561728512.db2.gz VKDPOXLXRQRSKD-DFHHYEBCSA-N -1 0 521.658 4.780 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000013776525 561728507 /nfs/dbraw/zinc/72/85/07/561728507.db2.gz VKDPOXLXRQRSKD-FZKGMMCVSA-N -1 0 521.658 4.780 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000013776527 561728555 /nfs/dbraw/zinc/72/85/55/561728555.db2.gz VKDPOXLXRQRSKD-WVTNZTGUSA-N -1 0 521.658 4.780 1 0 KJAFRM C[C@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013781979 561729590 /nfs/dbraw/zinc/72/95/90/561729590.db2.gz YOBMIXIISZAQGF-QTJFZDIUSA-N -1 0 516.442 4.813 1 0 KJAFRM COc1ccc(OC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1OC ZINC000013799587 561730395 /nfs/dbraw/zinc/73/03/95/561730395.db2.gz GHIWIAMAJCWXDD-SANMLTNESA-N -1 0 500.551 4.965 1 0 KJAFRM COc1ccc(OC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1OC ZINC000013799589 561730439 /nfs/dbraw/zinc/73/04/39/561730439.db2.gz GHIWIAMAJCWXDD-AREMUKBSSA-N -1 0 500.551 4.965 1 0 KJAFRM COc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(OC)n2)C(=O)[O-])cc1 ZINC000013799616 561730406 /nfs/dbraw/zinc/73/04/06/561730406.db2.gz PYQNCKSTTLEMCS-MHZLTWQESA-N -1 0 514.578 4.837 1 0 KJAFRM COc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(OC)n2)C(=O)[O-])cc1 ZINC000013799619 561730441 /nfs/dbraw/zinc/73/04/41/561730441.db2.gz PYQNCKSTTLEMCS-HHHXNRCGSA-N -1 0 514.578 4.837 1 0 KJAFRM CC(=O)OCc1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Cl)c1C ZINC000013801638 561730733 /nfs/dbraw/zinc/73/07/33/561730733.db2.gz AJDYXXCWHDGBML-UHFFFAOYSA-N -1 0 512.009 4.739 1 0 KJAFRM COC(=O)Oc1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Cl)c1C ZINC000013801650 561730662 /nfs/dbraw/zinc/73/06/62/561730662.db2.gz JWQKBCGKPMHCKQ-UHFFFAOYSA-N -1 0 513.981 4.821 1 0 KJAFRM CC(=O)OCc1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)[N-]c2noc(C)c2Cl)c1C ZINC000013801689 561730635 /nfs/dbraw/zinc/73/06/35/561730635.db2.gz ANUTZIVOORYOLE-UHFFFAOYSA-N -1 0 512.009 4.739 1 0 KJAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2COc2cc3c(cc2Cl)OCO3)c1Br ZINC000013815650 561732016 /nfs/dbraw/zinc/73/20/16/561732016.db2.gz DTRNHYYWARQBED-UHFFFAOYSA-N -1 0 507.771 4.569 1 0 KJAFRM COCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000013817650 561732235 /nfs/dbraw/zinc/73/22/35/561732235.db2.gz WUAFZBANWSFBSP-FQEVSTJZSA-N -1 0 507.414 4.955 1 0 KJAFRM CCCCc1nnc(S[C@@H](CC)C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825615 561732823 /nfs/dbraw/zinc/73/28/23/561732823.db2.gz FUXZSZQXHFUGRP-NRFANRHFSA-N -1 0 510.616 4.663 1 0 KJAFRM CCCCc1nnc(S[C@H](CC)C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825617 561732861 /nfs/dbraw/zinc/73/28/61/561732861.db2.gz FUXZSZQXHFUGRP-OAQYLSRUSA-N -1 0 510.616 4.663 1 0 KJAFRM CCCCc1ncc(CO)n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2C(=O)[O-])cc1 ZINC000013828000 561733136 /nfs/dbraw/zinc/73/31/36/561733136.db2.gz YBRDTIVVSUPIPT-SANMLTNESA-N -1 0 500.599 4.689 1 0 KJAFRM CCCCc1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc2c(ccc(F)c2C(=O)[O-])[n+]1[O-] ZINC000013832527 561733566 /nfs/dbraw/zinc/73/35/66/561733566.db2.gz KEAFTSPISAWNMW-UHFFFAOYSA-N -1 0 500.490 4.688 1 0 KJAFRM CCCCc1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc2c(ccc(OC)c2C(=O)[O-])[n+]1[O-] ZINC000013832528 561733614 /nfs/dbraw/zinc/73/36/14/561733614.db2.gz GQAPDOHFUZZWFY-UHFFFAOYSA-N -1 0 512.526 4.557 1 0 KJAFRM CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1[N-]S(=O)(=O)C(F)(F)F ZINC000013832862 561733739 /nfs/dbraw/zinc/73/37/39/561733739.db2.gz JCIWYBSLBBKTQW-UHFFFAOYSA-N -1 0 517.537 4.607 1 0 KJAFRM C[C@@](Cc1ccccc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000013833060 561733696 /nfs/dbraw/zinc/73/36/96/561733696.db2.gz DEOUZOCNOYBARB-DTBUGFDLSA-N -1 0 518.654 4.695 1 0 KJAFRM C[C@](Cc1ccccc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000013833061 561733697 /nfs/dbraw/zinc/73/36/97/561733697.db2.gz DEOUZOCNOYBARB-DHWIEDNQSA-N -1 0 518.654 4.695 1 0 KJAFRM CCCCC1=NC2(CCN(C(=O)C(F)(F)F)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833577 561733842 /nfs/dbraw/zinc/73/38/42/561733842.db2.gz BBTJOYSQCCPFSK-UHFFFAOYSA-N -1 0 515.532 4.906 1 0 KJAFRM CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013861077 561734597 /nfs/dbraw/zinc/73/45/97/561734597.db2.gz XKACIQXLWLWJBV-HUUCEWRRSA-N -1 0 521.221 4.919 1 0 KJAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncccn2)cc1 ZINC000013864286 561735257 /nfs/dbraw/zinc/73/52/57/561735257.db2.gz CSOLXVHPESVFGU-UHFFFAOYSA-N -1 0 519.627 4.798 1 0 KJAFRM Cn1nc(-c2ccccc2)c2c1nc(C1CC1)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c1ccc(F)cc1 ZINC000013888055 561735490 /nfs/dbraw/zinc/73/54/90/561735490.db2.gz XIEFZVZRZFZKHZ-WRBWEIJPSA-N -1 0 501.558 4.919 1 0 KJAFRM CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@@H](C(=O)[O-])CC2 ZINC000013898702 561735584 /nfs/dbraw/zinc/73/55/84/561735584.db2.gz SSLKTPMFZMERSJ-RUZDIDTESA-N -1 0 511.615 4.586 1 0 in-vivo KJAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000013911762 561735692 /nfs/dbraw/zinc/73/56/92/561735692.db2.gz KATBPZLMXQIZLF-LOSJGSFVSA-N -1 0 500.620 4.987 1 0 KJAFRM CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000013911763 561735716 /nfs/dbraw/zinc/73/57/16/561735716.db2.gz KATBPZLMXQIZLF-DQEYMECFSA-N -1 0 500.620 4.987 1 0 KJAFRM CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000013911764 561735689 /nfs/dbraw/zinc/73/56/89/561735689.db2.gz KATBPZLMXQIZLF-JWQCQUIFSA-N -1 0 500.620 4.987 1 0 KJAFRM CCCCn1nc(C[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1OCCc1ccc2c(n1)NCCC2 ZINC000013976917 561735911 /nfs/dbraw/zinc/73/59/11/561735911.db2.gz NQIOUHXNYUMMLV-NRFANRHFSA-N -1 0 506.603 4.588 1 0 KJAFRM CCCc1nc2c(cc(Br)cc2C)n1CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1C(=O)OC ZINC000014191865 561737546 /nfs/dbraw/zinc/73/75/46/561737546.db2.gz OQMNGYMSUWNTIE-HXUWFJFHSA-N -1 0 560.470 4.819 1 0 KJAFRM Nc1ccc(C[C@@H](C(=O)[O-])c2cn(CCC3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)cn2)cn1 ZINC000014211241 561738067 /nfs/dbraw/zinc/73/80/67/561738067.db2.gz QSHQJXGGJAQMDN-HHHXNRCGSA-N -1 0 537.664 4.732 1 0 KJAFRM Nc1ccc(C[C@H](C(=O)[O-])c2cn(CCC3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)cn2)cn1 ZINC000014211244 561738036 /nfs/dbraw/zinc/73/80/36/561738036.db2.gz QSHQJXGGJAQMDN-MHZLTWQESA-N -1 0 537.664 4.732 1 0 KJAFRM Cc1ccc(CCC[C@H](C[P@@](=O)([O-])O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 ZINC000014276753 561738927 /nfs/dbraw/zinc/73/89/27/561738927.db2.gz PNOAVGXEWQIVLB-IZLXSDGUSA-N -1 0 542.657 4.926 1 0 KJAFRM CCCCc1nc2ccc([C@@H]3CC(C(=O)[O-])=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000014278362 561738956 /nfs/dbraw/zinc/73/89/56/561738956.db2.gz WHSOUMJBGANKTK-SANMLTNESA-N -1 0 549.591 4.537 1 0 KJAFRM CC(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](c2ccc3c(c2)OCO3)N2N=C(c3ccc(Cl)cc3)CCC2=O)cc1 ZINC000014300098 561739616 /nfs/dbraw/zinc/73/96/16/561739616.db2.gz PVWVCMKAQWLCMB-HHHXNRCGSA-N -1 0 568.051 4.765 1 0 KJAFRM O=C([O-])c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000014908089 561740216 /nfs/dbraw/zinc/74/02/16/561740216.db2.gz IPSNCGJWCSQSPB-FYZVQMPESA-N -1 0 590.680 4.643 1 0 KJAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(Cc2ccccc2)C(C)C)C(=O)[O-])cc1 ZINC000014946741 561744304 /nfs/dbraw/zinc/74/43/04/561744304.db2.gz URMXWTWEOOMAMJ-SANMLTNESA-N -1 0 531.719 4.885 1 0 KJAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946779 561744368 /nfs/dbraw/zinc/74/43/68/561744368.db2.gz GCSUWMMLPSHAJG-MHZLTWQESA-N -1 0 536.650 4.634 1 0 KJAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4cc(F)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952827 561746479 /nfs/dbraw/zinc/74/64/79/561746479.db2.gz RXIGWQFBIHOUIE-UNMCSNQZSA-N -1 0 521.599 4.598 1 0 KJAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952922 561746470 /nfs/dbraw/zinc/74/64/70/561746470.db2.gz NSQSQIVTSSJRCP-VXKWHMMOSA-N -1 0 579.487 4.863 1 0 KJAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952927 561746486 /nfs/dbraw/zinc/74/64/86/561746486.db2.gz NSQSQIVTSSJRCP-FCHUYYIVSA-N -1 0 579.487 4.863 1 0 KJAFRM Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(CNC(=O)Nc5cccnc5)c4)c3O)cc2n1 ZINC000014953833 561746763 /nfs/dbraw/zinc/74/67/63/561746763.db2.gz YCTVFDXRCVUNIW-UHFFFAOYSA-N -1 0 508.538 4.529 1 0 KJAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccc(F)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955190 561747256 /nfs/dbraw/zinc/74/72/56/561747256.db2.gz YXMKDYBKIKKMKC-UNMCSNQZSA-N -1 0 521.599 4.598 1 0 KJAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4c(cccc4F)s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955202 561747250 /nfs/dbraw/zinc/74/72/50/561747250.db2.gz YVHGLSYFEGTDEN-FPOVZHCZSA-N -1 0 521.599 4.598 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4c(O)cc(Cl)cc4Cl)c3O)nc2c1 ZINC000014956811 561747790 /nfs/dbraw/zinc/74/77/90/561747790.db2.gz JBIXKWJURQJWBD-GFCCVEGCSA-N -1 0 529.336 4.542 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4c(O)cc(Cl)cc4Cl)c3O)nc2c1 ZINC000014956815 561747785 /nfs/dbraw/zinc/74/77/85/561747785.db2.gz JBIXKWJURQJWBD-LBPRGKRZSA-N -1 0 529.336 4.542 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)cc(Cl)c4)c3O)nc2c1 ZINC000014956837 561747803 /nfs/dbraw/zinc/74/78/03/561747803.db2.gz BZZQVFHYBGJMFK-MRXNPFEDSA-N -1 0 513.337 4.836 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)cc(Cl)c4)c3O)nc2c1 ZINC000014956840 561747831 /nfs/dbraw/zinc/74/78/31/561747831.db2.gz BZZQVFHYBGJMFK-INIZCTEOSA-N -1 0 513.337 4.836 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)ccc4Cl)c3O)nc2c1 ZINC000014956981 561747729 /nfs/dbraw/zinc/74/77/29/561747729.db2.gz RKORVZDLVVVXIO-CYBMUJFWSA-N -1 0 513.337 4.836 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)ccc4Cl)c3O)nc2c1 ZINC000014956984 561747679 /nfs/dbraw/zinc/74/76/79/561747679.db2.gz RKORVZDLVVVXIO-ZDUSSCGKSA-N -1 0 513.337 4.836 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc(Cl)c4Cl)c3O)nc2c1 ZINC000014956988 561747756 /nfs/dbraw/zinc/74/77/56/561747756.db2.gz YZRRAOBHQPGGCD-CYBMUJFWSA-N -1 0 513.337 4.836 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc(Cl)c4Cl)c3O)nc2c1 ZINC000014956992 561747916 /nfs/dbraw/zinc/74/79/16/561747916.db2.gz YZRRAOBHQPGGCD-ZDUSSCGKSA-N -1 0 513.337 4.836 1 0 KJAFRM CC(C)(C)c1ccc(-c2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)cc1 ZINC000014957095 561747893 /nfs/dbraw/zinc/74/78/93/561747893.db2.gz ONYYUJXCCOMYFA-LJQANCHMSA-N -1 0 500.555 4.827 1 0 KJAFRM CC(C)(C)c1ccc(-c2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)cc1 ZINC000014957099 561747937 /nfs/dbraw/zinc/74/79/37/561747937.db2.gz ONYYUJXCCOMYFA-IBGZPJMESA-N -1 0 500.555 4.827 1 0 KJAFRM CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)C[C@@H](CC)C(=O)NCCCCC(=O)[O-])c1 ZINC000014962131 561748700 /nfs/dbraw/zinc/74/87/00/561748700.db2.gz ZKWKVFUBEDCLBE-MGONOCMRSA-N -1 0 617.734 4.716 1 0 KJAFRM COc1cnn(Cc2ccccc2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000014962211 561748716 /nfs/dbraw/zinc/74/87/16/561748716.db2.gz DBTSBWISHCYWLW-QFIPXVFZSA-N -1 0 552.414 4.700 1 0 KJAFRM COc1cnn(-c2ccccc2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000014962215 561748668 /nfs/dbraw/zinc/74/86/68/561748668.db2.gz FAXJBTWLKBIVML-NRFANRHFSA-N -1 0 538.387 4.641 1 0 KJAFRM Cn1ncc(OC2CCCCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000014962237 561748703 /nfs/dbraw/zinc/74/87/03/561748703.db2.gz AVPVBJWFJVXXIM-NRFANRHFSA-N -1 0 544.435 4.891 1 0 KJAFRM CN(CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2)C(=O)OC(C)(C)C ZINC000014964466 561749248 /nfs/dbraw/zinc/74/92/48/561749248.db2.gz HCFHNDOXCICYDP-UHFFFAOYSA-N -1 0 517.648 4.733 1 0 KJAFRM COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1C ZINC000014966005 561749860 /nfs/dbraw/zinc/74/98/60/561749860.db2.gz HIRZLJKWWPKJHG-VXKWHMMOSA-N -1 0 535.572 4.906 1 0 KJAFRM COc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1OC ZINC000014966015 561749832 /nfs/dbraw/zinc/74/98/32/561749832.db2.gz UIGJZBBMXXMIRM-SFTDATJTSA-N -1 0 551.571 4.607 1 0 KJAFRM CC(C)c1c(C(=O)N2CCC[C@H](c3ccccc3)C2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014968016 561750481 /nfs/dbraw/zinc/75/04/81/561750481.db2.gz YLAVHPQPEFUCRY-HDYLNDSGSA-N -1 0 551.659 4.674 1 0 KJAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)NCC(=O)[O-])cc2Br)ccc1O ZINC000014969082 561750460 /nfs/dbraw/zinc/75/04/60/561750460.db2.gz BNNHEVBGBFFKOC-UHFFFAOYSA-N -1 0 501.171 4.576 1 0 KJAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C)C(=O)[O-])cc2Br)ccc1O ZINC000014969085 561750435 /nfs/dbraw/zinc/75/04/35/561750435.db2.gz GJHNXKYHUKQSDL-NSHDSACASA-N -1 0 515.198 4.965 1 0 KJAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C)C(=O)[O-])cc2Br)ccc1O ZINC000014969089 561750490 /nfs/dbraw/zinc/75/04/90/561750490.db2.gz GJHNXKYHUKQSDL-LLVKDONJSA-N -1 0 515.198 4.965 1 0 KJAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCc3ccccn3)c2)c(Br)c1 ZINC000014969345 561750550 /nfs/dbraw/zinc/75/05/50/561750550.db2.gz JMXQHRLBXHQQOA-UHFFFAOYSA-N -1 0 550.203 4.704 1 0 KJAFRM O=C([O-])C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000014971648 561751322 /nfs/dbraw/zinc/75/13/22/561751322.db2.gz PLORMMYDFRWDDE-GMAHTHKFSA-N -1 0 508.594 4.740 1 0 KJAFRM CC(C)c1c(C(=O)N(Cc2ccccc2)C(C)C)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974347 561752017 /nfs/dbraw/zinc/75/20/17/561752017.db2.gz RUTQTRSUIHEZES-JWQCQUIFSA-N -1 0 539.648 4.705 1 0 KJAFRM CC(C)c1c(C(=O)N2CCC[C@@H]2c2ccccc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974379 561752161 /nfs/dbraw/zinc/75/21/61/561752161.db2.gz JDNNJMMIANDJER-UBFVSLLYSA-N -1 0 537.632 4.631 1 0 KJAFRM CC(C)c1c(C(=O)N2CCC[C@H]2c2ccccc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974383 561752094 /nfs/dbraw/zinc/75/20/94/561752094.db2.gz JDNNJMMIANDJER-SDHSZQHLSA-N -1 0 537.632 4.631 1 0 KJAFRM CC(C)c1c(C(=O)N2CCC[C@@H](c3ccccc3)C2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974390 561752084 /nfs/dbraw/zinc/75/20/84/561752084.db2.gz YLAVHPQPEFUCRY-DNRSQYFGSA-N -1 0 551.659 4.674 1 0 KJAFRM CC(C)c1nc(Nc2cc(C(C)(C)C)nn2C)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014978025 561752524 /nfs/dbraw/zinc/75/25/24/561752524.db2.gz OHTJDABXTNGMCT-XICOBVEKSA-N -1 0 525.625 4.781 1 0 KJAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000016052602 561754061 /nfs/dbraw/zinc/75/40/61/561754061.db2.gz AYYVCIVIOZHWEO-SVBPBHIXSA-N -1 0 596.706 4.718 1 0 in-vitro KJAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000024974102 561762570 /nfs/dbraw/zinc/76/25/70/561762570.db2.gz ZBCQTJGKEZGMGJ-CLJLJLNGSA-N -1 0 637.730 4.961 1 0 in-vitro KJAFRM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ncc(Br)nc1OCc1ccccc1 ZINC000025965500 561763087 /nfs/dbraw/zinc/76/30/87/561763087.db2.gz DUCFPOXWJKCCBN-UHFFFAOYSA-N -1 0 513.417 4.838 1 0 KJAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025986036 561764237 /nfs/dbraw/zinc/76/42/37/561764237.db2.gz QQSPWJZNPRUUJQ-CMTIAEDTSA-N -1 0 572.768 4.864 1 0 KJAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025988023 561764358 /nfs/dbraw/zinc/76/43/58/561764358.db2.gz UZLLJEIQEDPUMV-UODIDJSMSA-N -1 0 562.715 4.641 1 0 KJAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)NC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025989354 561764574 /nfs/dbraw/zinc/76/45/74/561764574.db2.gz DZJGNVNCJWKZRX-KWXIBIRDSA-N -1 0 551.728 4.820 1 0 KJAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(N)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025991129 561764735 /nfs/dbraw/zinc/76/47/35/561764735.db2.gz LGJQFTJRPHIEEF-UODIDJSMSA-N -1 0 537.701 4.559 1 0 KJAFRM COc1ccccc1Cc1c(CCCO)nc(-c2ncccn2)nc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000025994684 561764952 /nfs/dbraw/zinc/76/49/52/561764952.db2.gz NEOVBIIJKPUROI-UHFFFAOYSA-N -1 0 547.681 4.556 1 0 KJAFRM CCCCN(CCCC)c1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000025995750 561765031 /nfs/dbraw/zinc/76/50/31/561765031.db2.gz ZMSHCQNPVJGYNG-FQEVSTJZSA-N -1 0 561.466 4.751 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3ccc(C)c(NC(=O)NC4CC4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026011808 561765966 /nfs/dbraw/zinc/76/59/66/561765966.db2.gz SZQXCLMKCHKMSV-SANMLTNESA-N -1 0 535.666 4.845 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NCc4ccccn4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026012426 561765946 /nfs/dbraw/zinc/76/59/46/561765946.db2.gz DQCORFRHCMSBGJ-NDEPHWFRSA-N -1 0 572.687 4.970 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NCC(F)(F)F)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026012481 561765923 /nfs/dbraw/zinc/76/59/23/561765923.db2.gz BVLXEGZTQOBZJI-QHCPKHFHSA-N -1 0 563.598 4.937 1 0 KJAFRM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(-c2cccc(NC(=O)Nc3nc4ccccc4[nH]3)c2)c1 ZINC000026012642 561766034 /nfs/dbraw/zinc/76/60/34/561766034.db2.gz KRTCKIBKQVLUKR-AREMUKBSSA-N -1 0 555.616 4.848 1 0 KJAFRM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(-c2cccc(NC(=O)Nc3nc4ccccc4[nH]3)c2)c1 ZINC000026012649 561766018 /nfs/dbraw/zinc/76/60/18/561766018.db2.gz KRTCKIBKQVLUKR-SANMLTNESA-N -1 0 555.616 4.848 1 0 KJAFRM CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3ccccc3C(F)(F)F)C(=O)[O-])cc2)c1 ZINC000026012683 561766028 /nfs/dbraw/zinc/76/60/28/561766028.db2.gz JSJIWGPKTLOJAP-QFIPXVFZSA-N -1 0 549.571 4.878 1 0 KJAFRM CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3cc(Cl)ccc3OC)C(=O)[O-])cc2)c1 ZINC000026013553 561766009 /nfs/dbraw/zinc/76/60/09/561766009.db2.gz IVKRXCQCXTVMDX-QFIPXVFZSA-N -1 0 546.045 4.521 1 0 KJAFRM CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)c(COC)c1 ZINC000026025156 561766929 /nfs/dbraw/zinc/76/69/29/561766929.db2.gz SOCAZRKGNBLYSF-UHFFFAOYSA-N -1 0 565.696 4.764 1 0 KJAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCC[C@@H](N(Cc4ccccc4)C(C)=O)C3)cc2)cc1 ZINC000026143983 561767056 /nfs/dbraw/zinc/76/70/56/561767056.db2.gz CYDOQDKDFWIELG-GEBXHLAXSA-N -1 0 550.677 4.701 1 0 KJAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]3CCC[C@@H](N(Cc4ccccc4)C(C)=O)C3)cc2)cc1 ZINC000026143988 581097471 /nfs/dbraw/zinc/09/74/71/581097471.db2.gz CYDOQDKDFWIELG-WWPJHQMMSA-N -1 0 550.677 4.701 1 0 KJAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCC[C@@H](N(Cc4ccccc4)C(C)=O)C3)cc2)cc1 ZINC000026143994 561767022 /nfs/dbraw/zinc/76/70/22/561767022.db2.gz CYDOQDKDFWIELG-HFASVGIHSA-N -1 0 550.677 4.701 1 0 KJAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]3CCC[C@@H](N(Cc4ccccc4)C(C)=O)C3)cc2)cc1 ZINC000026144001 581097335 /nfs/dbraw/zinc/09/73/35/581097335.db2.gz CYDOQDKDFWIELG-IWVFXYMLSA-N -1 0 550.677 4.701 1 0 KJAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2S(=O)(=O)C(C)C)c1Cl ZINC000026146617 561767333 /nfs/dbraw/zinc/76/73/33/561767333.db2.gz UVUWLXDVDIDTJA-UHFFFAOYSA-N -1 0 532.065 4.550 1 0 KJAFRM CCCS(=O)(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl ZINC000026146664 561767335 /nfs/dbraw/zinc/76/73/35/561767335.db2.gz KPNPQTMBAQGOSY-UHFFFAOYSA-N -1 0 532.065 4.552 1 0 KJAFRM CSCC[C@H](NC(=O)c1cccc(CN(Cc2c[nH]cn2)Cc2ccc3ccccc3c2)c1)C(=O)[O-] ZINC000026147028 561767342 /nfs/dbraw/zinc/76/73/42/561767342.db2.gz VFMUHVILDDZEAG-SANMLTNESA-N -1 0 502.640 4.701 1 0 KJAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCC(N(Cc4ccccc4)C(C)=O)CC3)cc2)cc1 ZINC000026154330 561768026 /nfs/dbraw/zinc/76/80/26/561768026.db2.gz BTZXQMHZPVTFBL-YITPRAEKSA-N -1 0 550.677 4.701 1 0 KJAFRM CSCC[C@H](NC(=O)c1cccc(CN(Cc2c[nH]cn2)Cc2cccc3ccccc32)c1)C(=O)[O-] ZINC000026156316 561768239 /nfs/dbraw/zinc/76/82/39/561768239.db2.gz MYRBTMFPTMIADC-SANMLTNESA-N -1 0 502.640 4.701 1 0 KJAFRM C[C@](Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000026163539 561768834 /nfs/dbraw/zinc/76/88/34/561768834.db2.gz HZLUNFDOYSGNBE-FUWFWQHWSA-N -1 0 632.733 4.998 1 0 KJAFRM C[C@@](Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000026164656 561768903 /nfs/dbraw/zinc/76/89/03/561768903.db2.gz HZLUNFDOYSGNBE-LIVOJFONSA-N -1 0 632.733 4.998 1 0 KJAFRM O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(-c2cccc(NC(=O)N=c3[nH]c4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000026170964 561769939 /nfs/dbraw/zinc/76/99/39/561769939.db2.gz JNSBZXVASWNXFL-AREMUKBSSA-N -1 0 555.616 4.790 1 0 KJAFRM O=C([O-])C[C@H](NS(=O)(=O)c1cccc(-c2cccc(NC(=O)N=c3[nH]c4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000026170968 561769911 /nfs/dbraw/zinc/76/99/11/561769911.db2.gz JNSBZXVASWNXFL-SANMLTNESA-N -1 0 555.616 4.790 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)NCc3ccncc3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026172451 561770149 /nfs/dbraw/zinc/77/01/49/561770149.db2.gz CWFYYDMXIHUDEP-VWLOTQADSA-N -1 0 560.632 4.573 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)NCc3ccncc3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026172455 561770152 /nfs/dbraw/zinc/77/01/52/561770152.db2.gz CWFYYDMXIHUDEP-RUZDIDTESA-N -1 0 560.632 4.573 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)NCc3cccnc3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026175206 561770770 /nfs/dbraw/zinc/77/07/70/561770770.db2.gz DQXKSLHFXHKCEX-VWLOTQADSA-N -1 0 560.632 4.573 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)NCc3cccnc3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026175210 561770768 /nfs/dbraw/zinc/77/07/68/561770768.db2.gz DQXKSLHFXHKCEX-RUZDIDTESA-N -1 0 560.632 4.573 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)N=c3[nH]c4ccccc4[nH]3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026176891 561770885 /nfs/dbraw/zinc/77/08/85/561770885.db2.gz DKCBOEVMYBPSHB-VWLOTQADSA-N -1 0 585.642 4.799 1 0 KJAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(CO)cc2)cc1 ZINC000026179797 561771547 /nfs/dbraw/zinc/77/15/47/561771547.db2.gz AUEUQGHVNOSGSL-AREMUKBSSA-N -1 0 502.611 4.646 1 0 KJAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(CO)cc2)cc1 ZINC000026179802 561771512 /nfs/dbraw/zinc/77/15/12/561771512.db2.gz AUEUQGHVNOSGSL-SANMLTNESA-N -1 0 502.611 4.646 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)Nc3cccnc3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026180653 561771605 /nfs/dbraw/zinc/77/16/05/561771605.db2.gz PBBMXHJSLKNABH-DEOSSOPVSA-N -1 0 546.605 4.896 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)Nc3cccnc3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026180658 561771594 /nfs/dbraw/zinc/77/15/94/561771594.db2.gz PBBMXHJSLKNABH-XMMPIXPASA-N -1 0 546.605 4.896 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)NCc3ccccn3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026181566 561771843 /nfs/dbraw/zinc/77/18/43/561771843.db2.gz HRZWNPXKGZPYOR-VWLOTQADSA-N -1 0 560.632 4.573 1 0 KJAFRM COc1ccc(-c2cccc(NC(=O)NCc3ccccn3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026181571 561771830 /nfs/dbraw/zinc/77/18/30/561771830.db2.gz HRZWNPXKGZPYOR-RUZDIDTESA-N -1 0 560.632 4.573 1 0 KJAFRM COC(=O)C/C(C(=O)OC)=C(/CCCCCCCCCCCCCCCCOS(=O)(=O)[O-])C(=O)OC ZINC000026182846 561772063 /nfs/dbraw/zinc/77/20/63/561772063.db2.gz YMZZCTYMIDSJJQ-QURGRASLSA-N -1 0 536.684 4.863 1 0 KJAFRM CCOC(=O)[C@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C ZINC000026187784 561773018 /nfs/dbraw/zinc/77/30/18/561773018.db2.gz VFZAWSWOWNYSNG-YTCCYARLSA-N -1 0 663.897 4.989 1 0 KJAFRM CCOC(=O)[C@@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C ZINC000026187788 561773006 /nfs/dbraw/zinc/77/30/06/561773006.db2.gz VFZAWSWOWNYSNG-ZLWUGDAWSA-N -1 0 663.897 4.989 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)OCCc1cccc(C(F)(F)F)c1 ZINC000026287427 561780049 /nfs/dbraw/zinc/78/00/49/561780049.db2.gz SJPWHLFKTFCCSA-KCHLEUMXSA-N -1 0 704.743 4.899 1 0 KJAFRM CCCc1nc(CN2CCN(c3ccccc3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026288222 561780062 /nfs/dbraw/zinc/78/00/62/561780062.db2.gz JIICJTUCKWGCNY-UHFFFAOYSA-N -1 0 562.678 4.751 1 0 KJAFRM CCCc1nc(CN2CCN(c3ccc(F)cc3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026290209 561780505 /nfs/dbraw/zinc/78/05/05/561780505.db2.gz ACGPVIZVKPAJFG-UHFFFAOYSA-N -1 0 580.668 4.891 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)OCCc1ccccc1C(F)(F)F ZINC000026292207 561780773 /nfs/dbraw/zinc/78/07/73/561780773.db2.gz GMTYIVDMKMTXRJ-KCHLEUMXSA-N -1 0 704.743 4.899 1 0 KJAFRM Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccno3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000026296490 561781630 /nfs/dbraw/zinc/78/16/30/561781630.db2.gz UVTGPXVPTNTUDR-URLMMPGGSA-N -1 0 564.642 4.935 1 0 KJAFRM CCCCc1nc(CN2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026376780 561782247 /nfs/dbraw/zinc/78/22/47/561782247.db2.gz XMENXPSJCPMABE-UHFFFAOYSA-N -1 0 577.693 4.537 1 0 KJAFRM CCCc1nc(CN2CCN(c3ccccc3OC)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026378315 561782813 /nfs/dbraw/zinc/78/28/13/561782813.db2.gz QQRSVXQWBZISDH-UHFFFAOYSA-N -1 0 592.704 4.760 1 0 KJAFRM Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccon3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000026378338 561782792 /nfs/dbraw/zinc/78/27/92/561782792.db2.gz ZHGGJHSZAGTHLS-XZWHSSHBSA-N -1 0 564.642 4.935 1 0 KJAFRM C[C@@](O)(C(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1Cl)C(F)(F)F ZINC000026379551 561783093 /nfs/dbraw/zinc/78/30/93/561783093.db2.gz NDRMBCNSTDAADS-SQJMNOBHSA-N -1 0 534.918 4.685 1 0 KJAFRM CCCc1nc(-n2cccc2[C@@H](O)C(F)(F)F)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026384095 561783872 /nfs/dbraw/zinc/78/38/72/561783872.db2.gz PGGUVWRCYVIXJL-HSZRJFAPSA-N -1 0 551.529 4.816 1 0 KJAFRM CCCc1nc(-n2cccc2[C@H](O)C(F)(F)F)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026384099 561783835 /nfs/dbraw/zinc/78/38/35/561783835.db2.gz PGGUVWRCYVIXJL-QHCPKHFHSA-N -1 0 551.529 4.816 1 0 KJAFRM CCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026386427 561784585 /nfs/dbraw/zinc/78/45/85/561784585.db2.gz KXVRFOUPYGRXIC-GVALYMNDSA-N -1 0 634.616 4.714 1 0 KJAFRM CCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026386431 561784586 /nfs/dbraw/zinc/78/45/86/561784586.db2.gz KXVRFOUPYGRXIC-MWUZNUMZSA-N -1 0 634.616 4.714 1 0 KJAFRM CCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026386435 561784535 /nfs/dbraw/zinc/78/45/35/561784535.db2.gz KXVRFOUPYGRXIC-CZIWMOKQSA-N -1 0 634.616 4.714 1 0 KJAFRM CCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026386437 561784571 /nfs/dbraw/zinc/78/45/71/561784571.db2.gz KXVRFOUPYGRXIC-BVPJHWTISA-N -1 0 634.616 4.714 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H](C)CC)C(=O)[O-] ZINC000026386748 561784519 /nfs/dbraw/zinc/78/45/19/561784519.db2.gz NVFSIRGENKPESO-COJPUDDNSA-N -1 0 604.192 4.995 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H](C)CC)C(=O)[O-] ZINC000026386756 561784630 /nfs/dbraw/zinc/78/46/30/561784630.db2.gz NVFSIRGENKPESO-CVOCDDOGSA-N -1 0 604.192 4.995 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026387087 561784672 /nfs/dbraw/zinc/78/46/72/561784672.db2.gz GWMBPTBOMGCAGT-QQWJIEJLSA-N -1 0 604.192 4.995 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026387092 561784646 /nfs/dbraw/zinc/78/46/46/561784646.db2.gz GWMBPTBOMGCAGT-QPKFISTISA-N -1 0 604.192 4.995 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026387096 561784654 /nfs/dbraw/zinc/78/46/54/561784654.db2.gz GWMBPTBOMGCAGT-SUYKCVEVSA-N -1 0 604.192 4.995 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026387100 561784675 /nfs/dbraw/zinc/78/46/75/561784675.db2.gz GWMBPTBOMGCAGT-ZSBKDRTMSA-N -1 0 604.192 4.995 1 0 KJAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026388306 561785083 /nfs/dbraw/zinc/78/50/83/561785083.db2.gz QYLJBVNSXNPXCO-DWACAAAGSA-N -1 0 607.512 4.643 1 0 KJAFRM COc1cccc(OC)c1-c1ccc(C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026390101 561785552 /nfs/dbraw/zinc/78/55/52/561785552.db2.gz XRKSEARZCOMMME-GOTSBHOMSA-N -1 0 607.512 4.595 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)C)C(=O)[O-] ZINC000026392364 561786007 /nfs/dbraw/zinc/78/60/07/561786007.db2.gz MJDJSBBTKHWARA-XZPPUWBPSA-N -1 0 590.165 4.605 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)C)C(=O)[O-] ZINC000026392369 561786056 /nfs/dbraw/zinc/78/60/56/561786056.db2.gz MJDJSBBTKHWARA-CCKAMSICSA-N -1 0 590.165 4.605 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)C)C(=O)[O-] ZINC000026392373 561786050 /nfs/dbraw/zinc/78/60/50/561786050.db2.gz MJDJSBBTKHWARA-GVALYMNDSA-N -1 0 590.165 4.605 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)C)C(=O)[O-] ZINC000026392378 561786029 /nfs/dbraw/zinc/78/60/29/561786029.db2.gz MJDJSBBTKHWARA-MWUZNUMZSA-N -1 0 590.165 4.605 1 0 KJAFRM CCSC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026393930 561786386 /nfs/dbraw/zinc/78/63/86/561786386.db2.gz LZBDEPUGFFURHL-GVALYMNDSA-N -1 0 666.683 4.667 1 0 KJAFRM CCSC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026393934 561786354 /nfs/dbraw/zinc/78/63/54/561786354.db2.gz LZBDEPUGFFURHL-XZPPUWBPSA-N -1 0 666.683 4.667 1 0 KJAFRM CCSC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026393938 561786397 /nfs/dbraw/zinc/78/63/97/561786397.db2.gz LZBDEPUGFFURHL-MWUZNUMZSA-N -1 0 666.683 4.667 1 0 KJAFRM CCSC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026393942 561786345 /nfs/dbraw/zinc/78/63/45/561786345.db2.gz LZBDEPUGFFURHL-CCKAMSICSA-N -1 0 666.683 4.667 1 0 KJAFRM CC(C)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026394107 561786565 /nfs/dbraw/zinc/78/65/65/561786565.db2.gz UMUBKBMZZJHJOB-QQWJIEJLSA-N -1 0 648.643 4.960 1 0 KJAFRM CC(C)C[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000026394112 561786576 /nfs/dbraw/zinc/78/65/76/561786576.db2.gz UMUBKBMZZJHJOB-JHYAUNHOSA-N -1 0 648.643 4.960 1 0 KJAFRM CC(C)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026394116 561786567 /nfs/dbraw/zinc/78/65/67/561786567.db2.gz UMUBKBMZZJHJOB-QPKFISTISA-N -1 0 648.643 4.960 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026394120 561786566 /nfs/dbraw/zinc/78/65/66/561786566.db2.gz UMUBKBMZZJHJOB-ZIWTYUHTSA-N -1 0 648.643 4.960 1 0 KJAFRM CSCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026395918 561786899 /nfs/dbraw/zinc/78/68/99/561786899.db2.gz HAWAUWMOUCWAIP-GVALYMNDSA-N -1 0 666.683 4.667 1 0 KJAFRM CSCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026395922 561786976 /nfs/dbraw/zinc/78/69/76/561786976.db2.gz HAWAUWMOUCWAIP-MWUZNUMZSA-N -1 0 666.683 4.667 1 0 KJAFRM CSCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026395926 561786940 /nfs/dbraw/zinc/78/69/40/561786940.db2.gz HAWAUWMOUCWAIP-CZIWMOKQSA-N -1 0 666.683 4.667 1 0 KJAFRM CSCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026395931 561786901 /nfs/dbraw/zinc/78/69/01/561786901.db2.gz HAWAUWMOUCWAIP-BVPJHWTISA-N -1 0 666.683 4.667 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCC[C@@H]1C)C(=O)[O-] ZINC000026396070 561787014 /nfs/dbraw/zinc/78/70/14/561787014.db2.gz PXCNPSJBSPCTDV-JNSABCDYSA-N -1 0 634.616 4.716 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCC[C@@H]1C)C(=O)[O-] ZINC000026396078 561787012 /nfs/dbraw/zinc/78/70/12/561787012.db2.gz PXCNPSJBSPCTDV-YUSVDLJSSA-N -1 0 634.616 4.716 1 0 KJAFRM CCCCc1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc2c(ccc(OCC)c2C(=O)[O-])[n+]1[O-] ZINC000026396861 561787342 /nfs/dbraw/zinc/78/73/42/561787342.db2.gz HOKKHKUKGHKMAT-UHFFFAOYSA-N -1 0 526.553 4.947 1 0 KJAFRM O=CN(O)[C@@H](CCc1ccc(C(=O)[O-])cc1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000026398115 561787617 /nfs/dbraw/zinc/78/76/17/561787617.db2.gz MJYMJQBCXIIWTG-IBGZPJMESA-N -1 0 553.511 4.698 1 0 KJAFRM O=CN(O)[C@H](CCc1ccc(C(=O)[O-])cc1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000026398119 561787614 /nfs/dbraw/zinc/78/76/14/561787614.db2.gz MJYMJQBCXIIWTG-LJQANCHMSA-N -1 0 553.511 4.698 1 0 KJAFRM COc1cccc(OC)c1-c1ccc(C[C@H](OC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026399228 561787919 /nfs/dbraw/zinc/78/79/19/561787919.db2.gz OJWDFZSPLVZDIH-URXFXBBRSA-N -1 0 594.469 4.680 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](CCC)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026400871 561788327 /nfs/dbraw/zinc/78/83/27/561788327.db2.gz LWHISDQELYNTOL-GVALYMNDSA-N -1 0 590.165 4.749 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](CCC)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026400875 561788363 /nfs/dbraw/zinc/78/83/63/561788363.db2.gz LWHISDQELYNTOL-CZIWMOKQSA-N -1 0 590.165 4.749 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](CCC)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026400880 561788316 /nfs/dbraw/zinc/78/83/16/561788316.db2.gz LWHISDQELYNTOL-MWUZNUMZSA-N -1 0 590.165 4.749 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](CCC)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026400884 561788365 /nfs/dbraw/zinc/78/83/65/561788365.db2.gz LWHISDQELYNTOL-BVPJHWTISA-N -1 0 590.165 4.749 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](CC1CC1)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026403664 561789078 /nfs/dbraw/zinc/78/90/78/561789078.db2.gz MWGVRZOEDWWHRG-BPHHYWDRSA-N -1 0 602.176 4.749 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](CC1CC1)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026403668 561789035 /nfs/dbraw/zinc/78/90/35/561789035.db2.gz MWGVRZOEDWWHRG-LRMUXRFUSA-N -1 0 602.176 4.749 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](CC1CC1)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026403672 561789023 /nfs/dbraw/zinc/78/90/23/561789023.db2.gz MWGVRZOEDWWHRG-BESBOBMUSA-N -1 0 602.176 4.749 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](CC1CC1)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026403676 561789060 /nfs/dbraw/zinc/78/90/60/561789060.db2.gz MWGVRZOEDWWHRG-XVDZYVNJSA-N -1 0 602.176 4.749 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000026403680 561789100 /nfs/dbraw/zinc/78/91/00/561789100.db2.gz CZISURJVGQTBNK-UBFVSLLYSA-N -1 0 634.616 4.718 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000026403684 561789019 /nfs/dbraw/zinc/78/90/19/561789019.db2.gz CZISURJVGQTBNK-ISJGIBHGSA-N -1 0 634.616 4.718 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000026403688 561789181 /nfs/dbraw/zinc/78/91/81/561789181.db2.gz CZISURJVGQTBNK-DSNGMDLFSA-N -1 0 634.616 4.718 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000026403693 561789149 /nfs/dbraw/zinc/78/91/49/561789149.db2.gz CZISURJVGQTBNK-CCDWMCETSA-N -1 0 634.616 4.718 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c2ccccc2[nH]c1CC)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026404155 561789323 /nfs/dbraw/zinc/78/93/23/561789323.db2.gz DBVBCRQXSARKMK-BZYMTITMSA-N -1 0 597.801 4.904 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c2ccccc2[nH]c1CC)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026404158 561789341 /nfs/dbraw/zinc/78/93/41/561789341.db2.gz DBVBCRQXSARKMK-JFJSVVLASA-N -1 0 597.801 4.904 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c2ccccc2[nH]c1CC)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026404161 561789327 /nfs/dbraw/zinc/78/93/27/561789327.db2.gz DBVBCRQXSARKMK-IWNNQOSKSA-N -1 0 597.801 4.904 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c2ccccc2[nH]c1CC)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026404164 561789336 /nfs/dbraw/zinc/78/93/36/561789336.db2.gz DBVBCRQXSARKMK-UDEZYVSJSA-N -1 0 597.801 4.904 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026404167 561789330 /nfs/dbraw/zinc/78/93/30/561789330.db2.gz UJBPSLIPZUKIFU-HOQMMEPNSA-N -1 0 583.774 4.650 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026404170 561789351 /nfs/dbraw/zinc/78/93/51/561789351.db2.gz UJBPSLIPZUKIFU-MGEAYKBWSA-N -1 0 583.774 4.650 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026404173 561789348 /nfs/dbraw/zinc/78/93/48/561789348.db2.gz UJBPSLIPZUKIFU-YYDJWUEASA-N -1 0 583.774 4.650 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026404176 561789340 /nfs/dbraw/zinc/78/93/40/561789340.db2.gz UJBPSLIPZUKIFU-LVPLEIMCSA-N -1 0 583.774 4.650 1 0 KJAFRM O=C(NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026466697 561789855 /nfs/dbraw/zinc/78/98/55/561789855.db2.gz GURHPXXZJSRTNQ-QHCPKHFHSA-N -1 0 698.667 4.853 1 0 KJAFRM COc1ccc(F)c(OC)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026476218 561791072 /nfs/dbraw/zinc/79/10/72/561791072.db2.gz NQTJTKONZRBMHR-YADHBBJMSA-N -1 0 611.475 4.912 1 0 KJAFRM COc1cccc(OC)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026476233 561791017 /nfs/dbraw/zinc/79/10/17/561791017.db2.gz ZFQHFDRPCKZUCW-YADHBBJMSA-N -1 0 593.485 4.773 1 0 KJAFRM C[C@@]1(C(=O)N[C@H](CC(=O)[O-])c2ccc(-c3c(O)cccc3O)cc2)CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026478128 561791450 /nfs/dbraw/zinc/79/14/50/561791450.db2.gz JBUWUVZCERTELO-ZBLYBZFDSA-N -1 0 593.485 4.947 1 0 KJAFRM COc1ccccc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026478135 561791423 /nfs/dbraw/zinc/79/14/23/561791423.db2.gz XRFMTPZLEBLPQJ-PKTZIBPZSA-N -1 0 563.459 4.764 1 0 KJAFRM COc1ccc(Cn2cccc(NC(=O)[C@@H](Cc3ccc(CC(=O)[O-])cc3)NC(=O)Cc3cccc4ccccc43)c2=O)cc1 ZINC000026483915 561792120 /nfs/dbraw/zinc/79/21/20/561792120.db2.gz OQQWRJKCOLLXFK-JGCGQSQUSA-N -1 0 603.675 4.594 1 0 KJAFRM COc1ccc(Cn2cccc(NC(=O)[C@H](Cc3ccc(CC(=O)[O-])cc3)NC(=O)Cc3cccc4ccccc43)c2=O)cc1 ZINC000026483922 561792122 /nfs/dbraw/zinc/79/21/22/561792122.db2.gz OQQWRJKCOLLXFK-YTTGMZPUSA-N -1 0 603.675 4.594 1 0 KJAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(CC(=O)[O-])cc3)NC(=O)Cc3cccc4ccccc43)c2=O)cc1 ZINC000026486613 561792497 /nfs/dbraw/zinc/79/24/97/561792497.db2.gz ZCRQGXVYFACUTF-JGCGQSQUSA-N -1 0 617.702 4.903 1 0 KJAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(CC(=O)[O-])cc3)NC(=O)Cc3cccc4ccccc43)c2=O)cc1 ZINC000026486619 561792494 /nfs/dbraw/zinc/79/24/94/561792494.db2.gz ZCRQGXVYFACUTF-YTTGMZPUSA-N -1 0 617.702 4.903 1 0 KJAFRM CN(CCOc1ccc(/C=C(\CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000026488073 561792750 /nfs/dbraw/zinc/79/27/50/561792750.db2.gz QPWAODQFKSARDW-DREZUNHVSA-N -1 0 503.599 4.850 1 0 KJAFRM Cn1nnnc1-c1ccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCC2)cc1 ZINC000026489518 561793067 /nfs/dbraw/zinc/79/30/67/561793067.db2.gz BESXQTSZSXTMFO-DEOSSOPVSA-N -1 0 607.498 4.961 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCNC(=O)C(F)(F)F)CCCC1 ZINC000026494592 561794115 /nfs/dbraw/zinc/79/41/15/561794115.db2.gz WIADTCNCIOEKBT-IBGZPJMESA-N -1 0 588.410 4.987 1 0 KJAFRM CNC(=O)N(C)CCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026496605 561794464 /nfs/dbraw/zinc/79/44/64/561794464.db2.gz RJGXUVWHSRSSMR-NRFANRHFSA-N -1 0 563.482 4.579 1 0 KJAFRM CS(=O)(=O)CCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026498850 561794886 /nfs/dbraw/zinc/79/48/86/561794886.db2.gz IFKGAQNQXXYYPB-NRFANRHFSA-N -1 0 569.507 4.743 1 0 KJAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](OCc2cccc3ccccc32)C[C@H]1C(=O)N[C@@]1(C(=O)[O-])C[C@@H]1Cc1ccccc1)C(C)C)C1CCCCC1 ZINC000026500652 561795312 /nfs/dbraw/zinc/79/53/12/561795312.db2.gz FNPQIPULODYYMI-LZJSQBAJSA-N -1 0 724.899 4.754 1 0 KJAFRM Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000026501831 561795641 /nfs/dbraw/zinc/79/56/41/561795641.db2.gz IBKZAOMWDAQLNG-NRFANRHFSA-N -1 0 538.391 4.561 1 0 KJAFRM CS(=O)(=O)CCCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCC1 ZINC000026502511 561795808 /nfs/dbraw/zinc/79/58/08/561795808.db2.gz XINCANZSFCTALF-NRFANRHFSA-N -1 0 569.507 4.743 1 0 KJAFRM C[S@@](=O)CCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026503027 561795988 /nfs/dbraw/zinc/79/59/88/561795988.db2.gz ULYHJYGNJKWWDI-NVXHTHCOSA-N -1 0 539.481 4.687 1 0 KJAFRM C[S@](=O)CCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026503031 561796015 /nfs/dbraw/zinc/79/60/15/561796015.db2.gz ULYHJYGNJKWWDI-NFVVUBBGSA-N -1 0 539.481 4.687 1 0 KJAFRM CCC1(CC)C[C@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc32)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)C(=O)[O-] ZINC000026505100 561796394 /nfs/dbraw/zinc/79/63/94/561796394.db2.gz SIBDCBHKINYLMB-GGQRLQIISA-N -1 0 690.882 4.701 1 0 KJAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](OCc2cccc3ccccc32)C[C@H]1C(=O)N[C@]1(C(=O)[O-])C[C@H]1Cc1ccccc1)C(C)C)C1CCCCC1 ZINC000026567624 561797394 /nfs/dbraw/zinc/79/73/94/561797394.db2.gz FNPQIPULODYYMI-YPEPQILTSA-N -1 0 724.899 4.754 1 0 KJAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)Cc1cc(=O)[n-]o1)c1ccccc1 ZINC000026573619 561798515 /nfs/dbraw/zinc/79/85/15/561798515.db2.gz PKBVDPGCTMEGDI-LCPBDYDYSA-N -1 0 639.753 4.930 1 0 KJAFRM CCCCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026573658 561798574 /nfs/dbraw/zinc/79/85/74/561798574.db2.gz KKHIROLUJYOXNY-UHFFFAOYSA-N -1 0 541.484 4.968 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[P@](C)(=O)[O-])c1ccccc1 ZINC000026575575 561799315 /nfs/dbraw/zinc/79/93/15/561799315.db2.gz IIFUXLBLPCKAEF-RYKRAMJASA-N -1 0 634.714 4.894 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CC[N-]S(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000026576566 561800490 /nfs/dbraw/zinc/80/04/90/561800490.db2.gz ZFPHKXNPMLFGIA-RYKRAMJASA-N -1 0 717.811 4.823 1 0 KJAFRM C[C@H](NC(=O)OCc1ccccc1)[P@](=O)([O-])C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000026578424 561803212 /nfs/dbraw/zinc/80/32/12/561803212.db2.gz COMOZYQMQPSLMB-DNBKINIGSA-N -1 0 618.671 4.862 1 0 KJAFRM C[C@H](NC(=O)OCc1ccccc1)[P@](=O)([O-])C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000026578982 561804037 /nfs/dbraw/zinc/80/40/37/561804037.db2.gz RZDDQWJXBRPPTM-DVTKYRPYSA-N -1 0 636.711 4.773 1 0 KJAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026643170 561806979 /nfs/dbraw/zinc/80/69/79/561806979.db2.gz NYEPXWPYFSDIDX-GOTSBHOMSA-N -1 0 607.512 4.643 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026647294 561807659 /nfs/dbraw/zinc/80/76/59/561807659.db2.gz BRZKFEHVZLVFIJ-ZEQRLZLVSA-N -1 0 547.460 4.626 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(-c2ccc(F)cc2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026647372 561807679 /nfs/dbraw/zinc/80/76/79/561807679.db2.gz XHCXORPSNPUSKF-ZEQRLZLVSA-N -1 0 565.450 4.765 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2F)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026647377 561807630 /nfs/dbraw/zinc/80/76/30/561807630.db2.gz PWMAEWNRSJGUGQ-ZEQRLZLVSA-N -1 0 565.450 4.765 1 0 KJAFRM CN(C)C(=O)c1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026649104 561808076 /nfs/dbraw/zinc/80/80/76/561808076.db2.gz WTUXQGQYRAGZCP-YZNIXAGQSA-N -1 0 632.566 4.718 1 0 KJAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026649430 561808025 /nfs/dbraw/zinc/80/80/25/561808025.db2.gz QZDOFOUKELTJRS-LVXARBLLSA-N -1 0 653.670 4.525 1 0 KJAFRM Cc1ccc(-c2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C(=O)[O-])cc2)cc1 ZINC000026650523 561808339 /nfs/dbraw/zinc/80/83/39/561808339.db2.gz QGKYFEGJAYKPGL-DQEYMECFSA-N -1 0 561.487 4.934 1 0 KJAFRM CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C[N-]S(=O)(=O)C(F)(F)F ZINC000026650673 561808295 /nfs/dbraw/zinc/80/82/95/561808295.db2.gz PDKSOFCDQXAQSC-UHFFFAOYSA-N -1 0 545.591 4.675 1 0 KJAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC(=O)[O-])C1 ZINC000026650683 561808293 /nfs/dbraw/zinc/80/82/93/561808293.db2.gz MSECWNMVFATCEZ-MHZLTWQESA-N -1 0 565.715 4.934 1 0 KJAFRM Cc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026656837 561809563 /nfs/dbraw/zinc/80/95/63/561809563.db2.gz GKBOWSGQVIXZHX-DQEYMECFSA-N -1 0 561.487 4.934 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)NCCc2c(F)cc(C(=O)[O-])cc2F)N(C(C)=O)C1 ZINC000026664315 561810898 /nfs/dbraw/zinc/81/08/98/561810898.db2.gz YXVHVOBHAQENGH-VBDKILDKSA-N -1 0 710.681 4.754 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)N[C@H](CC(F)F)C(=O)NCCc2c(F)cc(C(=O)[O-])cc2F)N(C(C)=O)C1 ZINC000026664321 561810920 /nfs/dbraw/zinc/81/09/20/561810920.db2.gz YXVHVOBHAQENGH-GRRRMQDASA-N -1 0 710.681 4.754 1 0 KJAFRM Cc1cc(C)c(CN2c3ccccc3[C@@](c3ccccc3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)c(C)c1 ZINC000026665496 561811127 /nfs/dbraw/zinc/81/11/27/561811127.db2.gz YFGVPMLVIXUCGP-NDKRRWIDSA-N -1 0 550.659 4.931 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccc(OC(F)(F)F)cc3)c3ccccc32)n1 ZINC000026665871 561811130 /nfs/dbraw/zinc/81/11/30/561811130.db2.gz MHHROYOBQSBUEV-OFSOJUDTSA-N -1 0 592.574 4.904 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccccc3Cl)c3ccccc32)n1 ZINC000026667884 561811578 /nfs/dbraw/zinc/81/15/78/561811578.db2.gz QCHYZDXDWZKACW-OFSOJUDTSA-N -1 0 543.023 4.659 1 0 KJAFRM COc1ccc(CN2c3ccccc3[C@@](c3cccc(Cl)c3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)cc1 ZINC000026670028 561812208 /nfs/dbraw/zinc/81/22/08/561812208.db2.gz FRQPGCPVRMZTNE-MVSFAKPFSA-N -1 0 573.049 4.668 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3cccc(OC(F)(F)F)c3)c3ccccc32)n1 ZINC000026670570 561812292 /nfs/dbraw/zinc/81/22/92/561812292.db2.gz MZAAFBAXCKYSNN-OFSOJUDTSA-N -1 0 592.574 4.904 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3cccc(Cl)c3)c3ccccc32)n1 ZINC000026670747 561812285 /nfs/dbraw/zinc/81/22/85/561812285.db2.gz GGEVZGHUELFPFK-OFSOJUDTSA-N -1 0 543.023 4.659 1 0 KJAFRM COc1ccc(CN2c3ccccc3[C@]([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])(C3CCCCC3)NCC2=O)cc1 ZINC000026670987 561812416 /nfs/dbraw/zinc/81/24/16/561812416.db2.gz PYYAHQASPOJSMT-MVSFAKPFSA-N -1 0 544.652 4.546 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccc(Br)cc3)c3ccccc32)n1 ZINC000026671356 561812470 /nfs/dbraw/zinc/81/24/70/561812470.db2.gz BZSLFEJGVQKVKX-OFSOJUDTSA-N -1 0 587.474 4.768 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccccc3OC(F)(F)F)c3ccccc32)n1 ZINC000026671676 561812524 /nfs/dbraw/zinc/81/25/24/561812524.db2.gz KKGSEDUFHOPCFO-OFSOJUDTSA-N -1 0 592.574 4.904 1 0 KJAFRM CCc1cccc([C@]2([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC(=O)N(Cc3ccc(OC)cc3)c3ccccc32)c1 ZINC000026672957 561812956 /nfs/dbraw/zinc/81/29/56/561812956.db2.gz FJHPXCQTPSEFDQ-NDKRRWIDSA-N -1 0 566.658 4.577 1 0 KJAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccn1)CC(=O)[O-] ZINC000026673326 561812954 /nfs/dbraw/zinc/81/29/54/561812954.db2.gz WMDLZMJCSSVCAJ-OUCLPZSGSA-N -1 0 558.679 4.571 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3cccc(Br)c3)c3ccccc32)n1 ZINC000026673705 561813237 /nfs/dbraw/zinc/81/32/37/561813237.db2.gz MNJJBWIQROUNDM-OFSOJUDTSA-N -1 0 587.474 4.768 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)n1 ZINC000026673851 561813253 /nfs/dbraw/zinc/81/32/53/561813253.db2.gz TWGYPFLCDZVWJV-OFSOJUDTSA-N -1 0 543.023 4.659 1 0 KJAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)n1 ZINC000026674845 561813763 /nfs/dbraw/zinc/81/37/63/561813763.db2.gz OXPNVLRJIHCUBM-OFSOJUDTSA-N -1 0 561.013 4.798 1 0 KJAFRM COc1ccc(CN2c3ccccc3[C@@](c3cc(C)cc(C)c3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)cc1 ZINC000026675255 561813895 /nfs/dbraw/zinc/81/38/95/561813895.db2.gz YQOHFDDJNGNMBZ-NDKRRWIDSA-N -1 0 566.658 4.631 1 0 KJAFRM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C#N)cc1 ZINC000026675602 561814042 /nfs/dbraw/zinc/81/40/42/561814042.db2.gz JGMCHTAMZJGMIP-UHFFFAOYSA-N -1 0 555.582 4.870 1 0 KJAFRM CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(C)=O)cc1 ZINC000026720186 561815024 /nfs/dbraw/zinc/81/50/24/561815024.db2.gz PXKSZDRAQKHPND-UHFFFAOYSA-N -1 0 539.057 4.570 1 0 KJAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](C(=O)[O-])[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026724533 561815822 /nfs/dbraw/zinc/81/58/22/561815822.db2.gz OJCKHMHFNFWSAT-FXSYQQGGSA-N -1 0 661.796 4.863 1 0 KJAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](C(=O)[O-])[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026724546 561815819 /nfs/dbraw/zinc/81/58/19/561815819.db2.gz OJCKHMHFNFWSAT-XDIGFQIYSA-N -1 0 661.796 4.863 1 0 KJAFRM O=C([O-])CN(CCc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000026726536 561816041 /nfs/dbraw/zinc/81/60/41/561816041.db2.gz WFRCVVPACDUWGD-HLNIINMZSA-N -1 0 543.664 4.786 1 0 KJAFRM O=C([O-])CN(CCc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000026726540 561816018 /nfs/dbraw/zinc/81/60/18/561816018.db2.gz WFRCVVPACDUWGD-MIJZIOFRSA-N -1 0 543.664 4.786 1 0 KJAFRM O=C([O-])[C@@H]1CCCN1C(=O)CN(CCC1CCCCC1)C(=O)[C@H](CCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 ZINC000026743804 561818524 /nfs/dbraw/zinc/81/85/24/561818524.db2.gz PXBIWIYMDZPXMF-CONSDPRKSA-N -1 0 600.760 4.703 1 0 KJAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000026745726 561818788 /nfs/dbraw/zinc/81/87/88/561818788.db2.gz YXFDUNGSOONFHY-UIOOFZCWSA-N -1 0 588.661 4.773 1 0 KJAFRM C/C=C/[C@H](CC(=O)[O-])NC(=O)CN(CCC(C)C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000026749090 561819382 /nfs/dbraw/zinc/81/93/82/561819382.db2.gz IRAMHWQOVZISQX-GGXQVSFTSA-N -1 0 522.646 4.592 1 0 KJAFRM C/C=C/[C@@H](CC(=O)[O-])NC(=O)C[C@@H](CC(C)C)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000026749095 561819403 /nfs/dbraw/zinc/81/94/03/561819403.db2.gz AMIRGLCCKTXFRY-BBPOXBKASA-N -1 0 522.646 4.638 1 0 KJAFRM COc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1 ZINC000026818218 561820486 /nfs/dbraw/zinc/82/04/86/561820486.db2.gz OOUHAJURRQCGRG-NDEPHWFRSA-N -1 0 544.604 4.846 1 0 KJAFRM COc1cc(C)nc(O[C@H](C(=O)[O-])C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1 ZINC000026818223 561820495 /nfs/dbraw/zinc/82/04/95/561820495.db2.gz OOUHAJURRQCGRG-MUUNZHRXSA-N -1 0 544.604 4.846 1 0 KJAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000026820926 561821124 /nfs/dbraw/zinc/82/11/24/561821124.db2.gz DUAUEUMSYJRBSN-NOZRDPDXSA-N -1 0 522.646 4.568 1 0 KJAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000026820931 561821090 /nfs/dbraw/zinc/82/10/90/561821090.db2.gz DUAUEUMSYJRBSN-ZCYQVOJMSA-N -1 0 522.646 4.568 1 0 KJAFRM O=C([O-])c1cn(C2CC2)c2c(cc(F)c(N3CCN(c4ccc(Cl)cc4)CC3)c2OC(F)F)c1=O ZINC000026821030 561821143 /nfs/dbraw/zinc/82/11/43/561821143.db2.gz HGYSPPCRXSMABN-UHFFFAOYSA-N -1 0 507.896 4.755 1 0 KJAFRM COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CC(=O)[O-])cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026821629 561821167 /nfs/dbraw/zinc/82/11/67/561821167.db2.gz KSQWLZQJPQWYHC-DGSYQFSPSA-N -1 0 727.251 4.751 1 0 KJAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000026822755 561821458 /nfs/dbraw/zinc/82/14/58/561821458.db2.gz RNYFQAKPXMXBJE-OZXSUGGESA-N -1 0 536.673 4.816 1 0 KJAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000026822760 561821427 /nfs/dbraw/zinc/82/14/27/561821427.db2.gz RNYFQAKPXMXBJE-BVAGGSTKSA-N -1 0 536.673 4.816 1 0 KJAFRM CCc1nc(C)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000026836346 561824308 /nfs/dbraw/zinc/82/43/08/561824308.db2.gz XWTJBYJNGMLAKH-UHFFFAOYSA-N -1 0 507.348 4.856 1 0 KJAFRM Cc1ccc(C[C@@H](CNC(=S)NCc2ccc([N-]S(=O)(=O)C(F)(F)F)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026847680 561826766 /nfs/dbraw/zinc/82/67/66/561826766.db2.gz TXUKOEKRMOONSI-NRFANRHFSA-N -1 0 573.703 4.977 1 0 KJAFRM Cc1ccc(C[C@H](CNC(=S)NCc2ccc([N-]S(=O)(=O)C(F)(F)F)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026847685 561826786 /nfs/dbraw/zinc/82/67/86/561826786.db2.gz TXUKOEKRMOONSI-OAQYLSRUSA-N -1 0 573.703 4.977 1 0 KJAFRM CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000026938450 561827892 /nfs/dbraw/zinc/82/78/92/561827892.db2.gz CKUAMXWZIHXZJC-LOSJGSFVSA-N -1 0 583.678 4.771 1 0 in-vitro KJAFRM CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000026940134 561828099 /nfs/dbraw/zinc/82/80/99/561828099.db2.gz BMVJOAJQNZSLIN-KYJUHHDHSA-N -1 0 578.669 4.920 1 0 KJAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1C ZINC000026961151 561829694 /nfs/dbraw/zinc/82/96/94/561829694.db2.gz AKTZFEQWOJSING-SANMLTNESA-N -1 0 531.559 4.697 1 0 KJAFRM O=C([O-])[C@@H]1Cc2c(ncn2Cc2cccc(Br)c2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000026970680 561830310 /nfs/dbraw/zinc/83/03/10/561830310.db2.gz KIAJSJGDERYIQI-VWLOTQADSA-N -1 0 530.422 4.864 1 0 KJAFRM CC(C)C[C@H](N[P@](=O)([O-])CCCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000026970987 561830468 /nfs/dbraw/zinc/83/04/68/561830468.db2.gz WQLAEVNCLSNAFK-ACHIHNKUSA-N -1 0 671.735 4.778 1 0 KJAFRM COC(=O)NCCCC[P@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000026971469 561830446 /nfs/dbraw/zinc/83/04/46/561830446.db2.gz DPHTYOHAIZCUCJ-RSXGOPAZSA-N -1 0 559.644 4.812 1 0 KJAFRM CCNC(=O)NCCCC[P@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000026973386 561830689 /nfs/dbraw/zinc/83/06/89/561830689.db2.gz PWMJELWPVMQEPL-VPUSJEBWSA-N -1 0 572.687 4.775 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)O[P@](=O)([O-])CCCCN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1 ZINC000026981761 561831413 /nfs/dbraw/zinc/83/14/13/561831413.db2.gz QDCHHVZSTNDDIC-KYJUHHDHSA-N -1 0 633.682 4.723 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCNC(=O)CCCc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026982452 561831486 /nfs/dbraw/zinc/83/14/86/561831486.db2.gz CWZUIJLHNLMGLG-QAXCHELISA-N -1 0 614.787 4.729 1 0 KJAFRM CC(=O)N1CCC[C@@H]1C(=O)NCCCC[P@@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000026985147 561831884 /nfs/dbraw/zinc/83/18/84/561831884.db2.gz DEQRLFQPZJLTBQ-WEAWZCMZSA-N -1 0 640.762 4.583 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)CCc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026986258 561832008 /nfs/dbraw/zinc/83/20/08/561832008.db2.gz FYBKBNVRCAQIIE-QAXCHELISA-N -1 0 614.787 4.729 1 0 KJAFRM CC(=O)N1CCC[C@H]1C(=O)NCCCC[P@@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000026991749 561832655 /nfs/dbraw/zinc/83/26/55/561832655.db2.gz DEQRLFQPZJLTBQ-LMERMFHRSA-N -1 0 640.762 4.583 1 0 KJAFRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncnc(OCCOc3ncc(Br)cn3)c2-c2ccc(CO)cc2)cc1 ZINC000026992612 561832803 /nfs/dbraw/zinc/83/28/03/561832803.db2.gz SEHMLESYUZKZPX-UHFFFAOYSA-N -1 0 614.522 4.745 1 0 KJAFRM CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000026994141 561832953 /nfs/dbraw/zinc/83/29/53/561832953.db2.gz VDOIRLNHAAJVAF-SJHFQCKASA-N -1 0 643.854 4.983 1 0 KJAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccco2)nc1 ZINC000026994701 561833112 /nfs/dbraw/zinc/83/31/12/561833112.db2.gz BLWJVNAITNJJCT-UHFFFAOYSA-N -1 0 541.655 4.805 1 0 KJAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccncc2)nc1 ZINC000027074148 561834010 /nfs/dbraw/zinc/83/40/10/561834010.db2.gz GACZLMXVTORVRP-UHFFFAOYSA-N -1 0 552.682 4.607 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2cnccn2)c1 ZINC000027074893 561833987 /nfs/dbraw/zinc/83/39/87/561833987.db2.gz LWBRRLLPVKIVEG-UHFFFAOYSA-N -1 0 551.625 4.624 1 0 KJAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(I)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000027075315 561834153 /nfs/dbraw/zinc/83/41/53/561834153.db2.gz UDYBTSZCOVECCP-UHFFFAOYSA-N -1 0 668.311 4.868 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccncn2)c1 ZINC000027075322 561834148 /nfs/dbraw/zinc/83/41/48/561834148.db2.gz PKGLDMGJFAMNST-UHFFFAOYSA-N -1 0 551.625 4.624 1 0 KJAFRM CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027075329 561834163 /nfs/dbraw/zinc/83/41/63/561834163.db2.gz ZJALVRUOITUUPZ-UHFFFAOYSA-N -1 0 560.655 4.662 1 0 KJAFRM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000027076456 561834249 /nfs/dbraw/zinc/83/42/49/561834249.db2.gz HFMATXSUPNSWTN-VWLOTQADSA-N -1 0 501.562 4.888 1 0 KJAFRM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000027076461 561834238 /nfs/dbraw/zinc/83/42/38/561834238.db2.gz HFMATXSUPNSWTN-RUZDIDTESA-N -1 0 501.562 4.888 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCNc2ncccn2)c1 ZINC000027077981 561834481 /nfs/dbraw/zinc/83/44/81/561834481.db2.gz WHLDJNLKFWONEL-UHFFFAOYSA-N -1 0 550.641 4.657 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(C)cn2)c1 ZINC000027078126 561834459 /nfs/dbraw/zinc/83/44/59/561834459.db2.gz QUBGRIQQMPKMDD-UHFFFAOYSA-N -1 0 565.652 4.932 1 0 KJAFRM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc(O)c(F)c3)c2)c(I)c1)C(=O)[O-] ZINC000027078690 561834591 /nfs/dbraw/zinc/83/45/91/561834591.db2.gz QNERSANUGNUPLW-SFHVURJKSA-N -1 0 649.194 4.784 1 0 KJAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc3c(c2)OCO3)nc1 ZINC000027079512 561834743 /nfs/dbraw/zinc/83/47/43/561834743.db2.gz IDBCOUUHKGHMPQ-UHFFFAOYSA-N -1 0 595.703 4.940 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2nccc(C)n2)c1 ZINC000027079527 561834717 /nfs/dbraw/zinc/83/47/17/561834717.db2.gz FYILNUZDAXWHCT-UHFFFAOYSA-N -1 0 565.652 4.932 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(OC)cn2)c1 ZINC000027079535 561834728 /nfs/dbraw/zinc/83/47/28/561834728.db2.gz RTFQNQVCBCDGCX-UHFFFAOYSA-N -1 0 581.651 4.632 1 0 KJAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]c3)c2)c(Br)c1 ZINC000027080201 561834875 /nfs/dbraw/zinc/83/48/75/561834875.db2.gz FXECZELPKYCNBB-UHFFFAOYSA-N -1 0 509.150 4.616 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncccn2)c1 ZINC000027082187 561835293 /nfs/dbraw/zinc/83/52/93/561835293.db2.gz CVAAEKLPFPRDCE-UHFFFAOYSA-N -1 0 551.625 4.624 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2cccnn2)c1 ZINC000027082236 561835297 /nfs/dbraw/zinc/83/52/97/561835297.db2.gz JVGCMYYGMIERPJ-UHFFFAOYSA-N -1 0 551.625 4.624 1 0 KJAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(CO)cc2)nc1 ZINC000027082381 561835440 /nfs/dbraw/zinc/83/54/40/561835440.db2.gz IEILUJOEUXJRSC-UHFFFAOYSA-N -1 0 581.720 4.704 1 0 KJAFRM COc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)nc1 ZINC000027082539 561835400 /nfs/dbraw/zinc/83/54/00/561835400.db2.gz AFDNMXWXTQCYFD-UHFFFAOYSA-N -1 0 549.653 4.807 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2nccc(OC)n2)c1 ZINC000027086400 561836328 /nfs/dbraw/zinc/83/63/28/561836328.db2.gz JMOUZLFLPUISRB-UHFFFAOYSA-N -1 0 581.651 4.632 1 0 KJAFRM CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)[N-]OCc1ccccc1 ZINC000027086721 561836462 /nfs/dbraw/zinc/83/64/62/561836462.db2.gz MXFCPVGCMIYRFV-VSGBNLITSA-N -1 0 585.546 4.656 1 0 KJAFRM CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Br)cc2[S-])CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027096924 561838143 /nfs/dbraw/zinc/83/81/43/561838143.db2.gz FWDLLMHEAFMLAW-SCEKEIEXSA-N -1 0 723.778 4.523 1 0 KJAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 ZINC000027101630 561838838 /nfs/dbraw/zinc/83/88/38/561838838.db2.gz RSOBDQZDMUBOFE-MKVSNFESSA-N -1 0 729.878 4.832 1 0 KJAFRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 ZINC000027101635 561838806 /nfs/dbraw/zinc/83/88/06/561838806.db2.gz RSOBDQZDMUBOFE-JKHUEXHKSA-N -1 0 729.878 4.832 1 0 KJAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)NCCC(=O)[O-] ZINC000027104605 561839749 /nfs/dbraw/zinc/83/97/49/561839749.db2.gz NJZRKIUZOVXYIA-CGFWUBNVSA-N -1 0 599.728 4.589 1 0 KJAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000027107362 561840444 /nfs/dbraw/zinc/84/04/44/561840444.db2.gz KSORIHZMEYOFIF-JXMOBMKASA-N -1 0 599.728 4.588 1 0 KJAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1ccccc1 ZINC000027107596 561840611 /nfs/dbraw/zinc/84/06/11/561840611.db2.gz DXAYQBBNXHICOM-GVBYMILNSA-N -1 0 719.839 4.803 1 0 KJAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000027108182 561840706 /nfs/dbraw/zinc/84/07/06/561840706.db2.gz KSORIHZMEYOFIF-SICGKJMBSA-N -1 0 599.728 4.588 1 0 KJAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1ccc(F)cc1 ZINC000027109904 561841216 /nfs/dbraw/zinc/84/12/16/561841216.db2.gz QGXQBSUEPKEUJY-GVBYMILNSA-N -1 0 737.829 4.942 1 0 KJAFRM CC(=O)N1[C@@H](C(=O)NCC(=O)[O-])CC(=O)c2cc(C)ccc2N(Cc2ccccc2)C(=O)[C@@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027180207 561841644 /nfs/dbraw/zinc/84/16/44/561841644.db2.gz POAJIHLBORRVDP-DAOHCNKHSA-N -1 0 599.728 4.508 1 0 KJAFRM CC(=O)N1[C@@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccc(C)cc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027180213 561841610 /nfs/dbraw/zinc/84/16/10/561841610.db2.gz POAJIHLBORRVDP-SZZXCZGYSA-N -1 0 599.728 4.508 1 0 KJAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccc(C)cc2C(=O)C[C@@H]1C(=O)NCC(=O)[O-] ZINC000027180218 561841649 /nfs/dbraw/zinc/84/16/49/561841649.db2.gz POAJIHLBORRVDP-BIMVBHPHSA-N -1 0 599.728 4.508 1 0 KJAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccc(C)cc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027180224 561841620 /nfs/dbraw/zinc/84/16/20/561841620.db2.gz POAJIHLBORRVDP-CGFWUBNVSA-N -1 0 599.728 4.508 1 0 KJAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(-c2ccccc2)cc1 ZINC000027183935 561842113 /nfs/dbraw/zinc/84/21/13/561842113.db2.gz PEXATNCPMKXMKK-UVMMSNCQSA-N -1 0 582.653 4.634 1 0 KJAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000027185580 561842479 /nfs/dbraw/zinc/84/24/79/561842479.db2.gz SERNZLVLZGBAFA-UVMMSNCQSA-N -1 0 598.652 4.759 1 0 KJAFRM CCc1cc(C(=O)[O-])cc(CC)c1NC(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000027186510 561842683 /nfs/dbraw/zinc/84/26/83/561842683.db2.gz SRYQEUIBRIIYSG-MLWJCNIFSA-N -1 0 574.630 4.727 1 0 KJAFRM O=C([O-])c1ccc(OCC(=O)COc2ccc3c(c2)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 ZINC000027189640 561843281 /nfs/dbraw/zinc/84/32/81/561843281.db2.gz LJQMXRQRTYVFAW-UHFFFAOYSA-N -1 0 514.317 4.515 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027190709 561843533 /nfs/dbraw/zinc/84/35/33/561843533.db2.gz ZAYXSRZXDHJYTC-VPUBEJBYSA-N -1 0 538.688 4.774 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027190715 561843549 /nfs/dbraw/zinc/84/35/49/561843549.db2.gz ZAYXSRZXDHJYTC-CEOVWATPSA-N -1 0 538.688 4.774 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027190721 561843543 /nfs/dbraw/zinc/84/35/43/561843543.db2.gz ZAYXSRZXDHJYTC-QJHUNOOJSA-N -1 0 538.688 4.774 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027190725 561843504 /nfs/dbraw/zinc/84/35/04/561843504.db2.gz ZAYXSRZXDHJYTC-FPOJPNDNSA-N -1 0 538.688 4.774 1 0 KJAFRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)[O-] ZINC000027191019 561843503 /nfs/dbraw/zinc/84/35/03/561843503.db2.gz WXHYEGIBJUBXKC-IFHDQQQVSA-N -1 0 623.794 4.669 1 0 KJAFRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)[O-] ZINC000027191025 561843548 /nfs/dbraw/zinc/84/35/48/561843548.db2.gz WXHYEGIBJUBXKC-OJZPWERDSA-N -1 0 623.794 4.669 1 0 KJAFRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)[O-] ZINC000027191030 561843500 /nfs/dbraw/zinc/84/35/00/561843500.db2.gz WXHYEGIBJUBXKC-FXYXFKFXSA-N -1 0 623.794 4.669 1 0 KJAFRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)[O-] ZINC000027191037 561843511 /nfs/dbraw/zinc/84/35/11/561843511.db2.gz WXHYEGIBJUBXKC-OMISAFIPSA-N -1 0 623.794 4.669 1 0 KJAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000027210903 561847163 /nfs/dbraw/zinc/84/71/63/561847163.db2.gz JCKSLEMGTUWKTP-QHYZDAECSA-N -1 0 531.697 4.899 1 0 KJAFRM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000027212144 561847448 /nfs/dbraw/zinc/84/74/48/561847448.db2.gz NNVXAZWPFDGWCB-QFIPXVFZSA-N -1 0 513.439 4.608 1 0 KJAFRM CCCCc1ncc(/C=C2\C(=O)N(CCCC)C(=O)N2Cc2csc(N)n2)n1Cc1ccc(C(=O)[O-])cc1 ZINC000027212239 561847471 /nfs/dbraw/zinc/84/74/71/561847471.db2.gz XLDPYCCVJVFDNB-LPYMAVHISA-N -1 0 536.658 4.616 1 0 KJAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000027213431 561847676 /nfs/dbraw/zinc/84/76/76/561847676.db2.gz HQPNJLYNCLHOEC-LSYYVWMOSA-N -1 0 612.572 4.749 1 0 KJAFRM O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1S(=O)(=O)CCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000027301331 561849170 /nfs/dbraw/zinc/84/91/70/561849170.db2.gz AKWUAHDLDRSRDC-MZBJOSPHSA-N -1 0 552.048 4.740 1 0 KJAFRM O=C([O-])CCC/C=C(\c1ccc(CCN(CCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000027307322 561849896 /nfs/dbraw/zinc/84/98/96/561849896.db2.gz OCLFNCNUYRWKPS-NZRVNVCISA-N -1 0 598.165 4.987 1 0 KJAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O ZINC000027319587 561852456 /nfs/dbraw/zinc/85/24/56/561852456.db2.gz ISIFFAWUROEFAE-AEBAATFDSA-N -1 0 691.785 4.933 1 0 KJAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)[O-])Cc1ccccc1 ZINC000027331283 561855004 /nfs/dbraw/zinc/85/50/04/561855004.db2.gz HAQJDPAHYIINDW-HXWIKMKJSA-N -1 0 628.770 4.729 1 0 in-vivo KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)[O-])Cc1ccccc1 ZINC000027331286 561854977 /nfs/dbraw/zinc/85/49/77/561854977.db2.gz HAQJDPAHYIINDW-JWZQQOIUSA-N -1 0 628.770 4.729 1 0 in-vivo KJAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CNC(=O)CCC(=O)[O-])Cc1ccccc1 ZINC000027331290 561855012 /nfs/dbraw/zinc/85/50/12/561855012.db2.gz HAQJDPAHYIINDW-KMDPWDFKSA-N -1 0 628.770 4.729 1 0 in-vivo KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CNC(=O)CCC(=O)[O-])Cc1ccccc1 ZINC000027331293 561854990 /nfs/dbraw/zinc/85/49/90/561854990.db2.gz HAQJDPAHYIINDW-YUUWEXFGSA-N -1 0 628.770 4.729 1 0 in-vivo KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)/C=C/C(=O)[O-])c1ccccc1 ZINC000027332035 561855146 /nfs/dbraw/zinc/85/51/46/561855146.db2.gz REMAMJQTIPBFTH-MYJPUEAFSA-N -1 0 612.727 4.635 1 0 in-vivo KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)/C=C/C(=O)[O-])Cc1ccccc1 ZINC000027405637 561855424 /nfs/dbraw/zinc/85/54/24/561855424.db2.gz SBBCWLUBBJWDTN-PKIUTDBJSA-N -1 0 626.754 4.505 1 0 KJAFRM O=C([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027426952 561858531 /nfs/dbraw/zinc/85/85/31/561858531.db2.gz PTYJJEPYLJIREH-MGODASRNSA-N -1 0 645.800 4.771 1 0 KJAFRM O=C([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027426957 561858500 /nfs/dbraw/zinc/85/85/00/561858500.db2.gz PTYJJEPYLJIREH-HRXMQVSMSA-N -1 0 645.800 4.771 1 0 KJAFRM O=C([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027426962 561858490 /nfs/dbraw/zinc/85/84/90/561858490.db2.gz PTYJJEPYLJIREH-AKMVPYFISA-N -1 0 645.800 4.771 1 0 KJAFRM O=C([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027426965 561858498 /nfs/dbraw/zinc/85/84/98/561858498.db2.gz PTYJJEPYLJIREH-YLJPIUEVSA-N -1 0 645.800 4.771 1 0 KJAFRM O=C([O-])CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027427174 561858695 /nfs/dbraw/zinc/85/86/95/561858695.db2.gz PTYJJEPYLJIREH-XTFUGUTPSA-N -1 0 645.800 4.771 1 0 KJAFRM O=C([O-])CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027427178 561858639 /nfs/dbraw/zinc/85/86/39/561858639.db2.gz PTYJJEPYLJIREH-CGZDKRMBSA-N -1 0 645.800 4.771 1 0 KJAFRM O=C([O-])CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027427183 561858642 /nfs/dbraw/zinc/85/86/42/561858642.db2.gz PTYJJEPYLJIREH-QLCYHQQQSA-N -1 0 645.800 4.771 1 0 KJAFRM O=C([O-])CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027427188 561858699 /nfs/dbraw/zinc/85/86/99/561858699.db2.gz PTYJJEPYLJIREH-UJGCLRTKSA-N -1 0 645.800 4.771 1 0 KJAFRM O=C([O-])c1ccc(-c2ccc(C(=O)N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000027439093 561860568 /nfs/dbraw/zinc/86/05/68/561860568.db2.gz GHVDXMQMEZOVGA-MHZLTWQESA-N -1 0 520.497 4.960 1 0 KJAFRM O=C([O-])c1ccc(-c2ccc(C(=O)N3Cc4c([nH]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000027439096 561860603 /nfs/dbraw/zinc/86/06/03/561860603.db2.gz GHVDXMQMEZOVGA-HHHXNRCGSA-N -1 0 520.497 4.960 1 0 KJAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(OC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027441995 561860834 /nfs/dbraw/zinc/86/08/34/561860834.db2.gz ZZKZAJNOVJFUPI-NDEPHWFRSA-N -1 0 563.610 4.858 1 0 KJAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(OC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027442002 561860817 /nfs/dbraw/zinc/86/08/17/561860817.db2.gz ZZKZAJNOVJFUPI-MUUNZHRXSA-N -1 0 563.610 4.858 1 0 KJAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(CNc3ccccn3)cs2)c2ccccc21 ZINC000027442335 561860970 /nfs/dbraw/zinc/86/09/70/561860970.db2.gz QQVCJZQAJWCLCM-DEOSSOPVSA-N -1 0 526.618 4.638 1 0 KJAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(CNc3ccccn3)cs2)c2ccccc21 ZINC000027442342 561861000 /nfs/dbraw/zinc/86/10/00/561861000.db2.gz QQVCJZQAJWCLCM-XMMPIXPASA-N -1 0 526.618 4.638 1 0 KJAFRM O=C([O-])COCCN1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027517737 561861440 /nfs/dbraw/zinc/86/14/40/561861440.db2.gz ZOXBUIMAXBOWFJ-QFIPXVFZSA-N -1 0 534.497 4.701 1 0 KJAFRM O=C([O-])COCCN1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027517738 561861458 /nfs/dbraw/zinc/86/14/58/561861458.db2.gz ZOXBUIMAXBOWFJ-JOCHJYFZSA-N -1 0 534.497 4.701 1 0 KJAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)nc2)c2ccccc21 ZINC000027517891 561861675 /nfs/dbraw/zinc/86/16/75/561861675.db2.gz QVPJQGRPYGJYNZ-QHCPKHFHSA-N -1 0 531.572 4.508 1 0 KJAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)nc2)c2ccccc21 ZINC000027517892 561861670 /nfs/dbraw/zinc/86/16/70/561861670.db2.gz QVPJQGRPYGJYNZ-HSZRJFAPSA-N -1 0 531.572 4.508 1 0 KJAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(-c3nc4cccnc4[nH]3)cs2)c2ccccc21 ZINC000027518005 561861712 /nfs/dbraw/zinc/86/17/12/561861712.db2.gz GFRZKMANKTVPAH-QFIPXVFZSA-N -1 0 537.601 4.570 1 0 KJAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(-c3nc4cccnc4[nH]3)cs2)c2ccccc21 ZINC000027518006 561861680 /nfs/dbraw/zinc/86/16/80/561861680.db2.gz GFRZKMANKTVPAH-JOCHJYFZSA-N -1 0 537.601 4.570 1 0 KJAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2nc(-c3nc4ccccc4[nH]3)cs2)c2ccccc21 ZINC000027518294 561862181 /nfs/dbraw/zinc/86/21/81/561862181.db2.gz UMAQSWTVTCGZIE-FQEVSTJZSA-N -1 0 537.601 4.570 1 0 KJAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2nc(-c3nc4ccccc4[nH]3)cs2)c2ccccc21 ZINC000027518295 561862122 /nfs/dbraw/zinc/86/21/22/561862122.db2.gz UMAQSWTVTCGZIE-HXUWFJFHSA-N -1 0 537.601 4.570 1 0 KJAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(OC(=S)N(C)C)c2C)c1Cl ZINC000027518985 561862764 /nfs/dbraw/zinc/86/27/64/561862764.db2.gz DFPLJDKMNUUGEB-UHFFFAOYSA-N -1 0 543.092 4.902 1 0 KJAFRM CC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@H](C(=O)C(=O)[O-])N(S(=O)(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 ZINC000027519331 561863042 /nfs/dbraw/zinc/86/30/42/561863042.db2.gz LERSXUYNVGTZOT-XMMPIXPASA-N -1 0 554.596 4.609 1 0 KJAFRM CC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)C(=O)[O-])N(S(=O)(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 ZINC000027519333 561863069 /nfs/dbraw/zinc/86/30/69/561863069.db2.gz LERSXUYNVGTZOT-DEOSSOPVSA-N -1 0 554.596 4.609 1 0 KJAFRM CCOC(=O)N(C(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)c1c(C)cc(C)c(O)c1C ZINC000027523075 561864725 /nfs/dbraw/zinc/86/47/25/561864725.db2.gz SXOLLDZCCFQLAV-UHFFFAOYSA-N -1 0 528.008 4.933 1 0 KJAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CCC(=O)[O-])CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC ZINC000027523152 561864894 /nfs/dbraw/zinc/86/48/94/561864894.db2.gz IXOZUHCLABVHKZ-GGXMVOPNSA-N -1 0 617.139 4.690 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CC[N-]S(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000027527067 561866537 /nfs/dbraw/zinc/86/65/37/561866537.db2.gz ZFPHKXNPMLFGIA-SSVQIJOPSA-N -1 0 717.811 4.823 1 0 KJAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000027547352 561867092 /nfs/dbraw/zinc/86/70/92/561867092.db2.gz WRNYZKXDJHJYDF-XVUAFLCLSA-N -1 0 713.917 4.566 1 0 KJAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@H](O)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000027547359 561867058 /nfs/dbraw/zinc/86/70/58/561867058.db2.gz WRNYZKXDJHJYDF-UFJOGPAOSA-N -1 0 713.917 4.566 1 0 KJAFRM CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)[O-])c(NCCc4ccc(F)cc4)nc3c2)n1 ZINC000027547971 561867305 /nfs/dbraw/zinc/86/73/05/561867305.db2.gz AHCAZRVOMKJCTO-CSKARUKUSA-N -1 0 506.603 4.951 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CC[P@@](=O)([O-])O)c1ccccc1 ZINC000027548065 561867321 /nfs/dbraw/zinc/86/73/21/561867321.db2.gz GFBTWANHBBFKAB-SSVQIJOPSA-N -1 0 650.713 4.562 1 0 KJAFRM CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)O[P@](=O)([O-])CCCc1ccccc1 ZINC000027552991 561868506 /nfs/dbraw/zinc/86/85/06/561868506.db2.gz MPIMSIROJYQCNO-YWUUFRFPSA-N -1 0 552.693 4.968 1 0 KJAFRM CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[P@](=O)([O-])CCCc1ccccc1 ZINC000027556682 561869780 /nfs/dbraw/zinc/86/97/80/561869780.db2.gz MPIMSIROJYQCNO-DTBHQADXSA-N -1 0 552.693 4.968 1 0 KJAFRM CC(C)N(C(=O)CN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000027557543 561869898 /nfs/dbraw/zinc/86/98/98/561869898.db2.gz UYHYPASNCCHSSE-RUZDIDTESA-N -1 0 516.598 4.516 1 0 KJAFRM CC(C)(C)C(=O)OCOP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)[O-])OCOC(=O)C(C)(C)C ZINC000027559605 561870310 /nfs/dbraw/zinc/87/03/10/561870310.db2.gz UZNVQFHDXXXIHN-VWLOTQADSA-N -1 0 634.663 4.723 1 0 KJAFRM CC(C)(C)C(=O)OCOP(=O)(CN[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)[O-])OCOC(=O)C(C)(C)C ZINC000027559607 561870304 /nfs/dbraw/zinc/87/03/04/561870304.db2.gz UZNVQFHDXXXIHN-RUZDIDTESA-N -1 0 634.663 4.723 1 0 KJAFRM COc1ccc(N(C(=O)CN(C(=O)[C@H](CCC(=O)[O-])NC(=O)Nc2ccccc2)c2ccccc2)C(C)C)cc1 ZINC000027560170 561870467 /nfs/dbraw/zinc/87/04/67/561870467.db2.gz AJNASFIBGRDDNH-SANMLTNESA-N -1 0 546.624 4.525 1 0 KJAFRM COCCOCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)[O-])c3cccnc3)cc2)n1 ZINC000027623503 561872831 /nfs/dbraw/zinc/87/28/31/561872831.db2.gz VSBMIKSTPGIAGB-KTZMUZOWSA-N -1 0 507.587 4.596 1 0 KJAFRM COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027623917 561872933 /nfs/dbraw/zinc/87/29/33/561872933.db2.gz ODTULDRZQZPRFR-INIZCTEOSA-N -1 0 506.424 4.557 1 0 KJAFRM COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027623924 561872922 /nfs/dbraw/zinc/87/29/22/561872922.db2.gz ODTULDRZQZPRFR-MRXNPFEDSA-N -1 0 506.424 4.557 1 0 KJAFRM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc([O-])c(C(=O)c3ccccc3)c2)c(I)c1)C(=O)[O-] ZINC000027627534 561873407 /nfs/dbraw/zinc/87/34/07/561873407.db2.gz QBHZYMFLRMHCJC-SFHVURJKSA-N -1 0 629.188 4.579 1 0 KJAFRM [NH3+][C@H](Cc1cc(I)c(Oc2ccc([O-])c(C(=O)c3ccccc3)c2)c(I)c1)C(=O)[O-] ZINC000027627539 561873382 /nfs/dbraw/zinc/87/33/82/561873382.db2.gz QBHZYMFLRMHCJC-GOSISDBHSA-N -1 0 629.188 4.579 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000027636197 561874393 /nfs/dbraw/zinc/87/43/93/561874393.db2.gz LACRWWBFLYVSDD-SFMDGOMNSA-N -1 0 541.692 4.860 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1cccc2cccnc21 ZINC000027638754 561874973 /nfs/dbraw/zinc/87/49/73/561874973.db2.gz FLUGDIQOHQRYIG-HGWVVLIASA-N -1 0 682.586 4.933 1 0 KJAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)COc1ccc(SCC(C)(C)C(=O)[O-])cc1)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000027639616 561875146 /nfs/dbraw/zinc/87/51/46/561875146.db2.gz VAHHJSDAHDMGCL-FMYROPPKSA-N -1 0 680.824 4.565 1 0 KJAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](COC(=O)CCC(=O)[O-])Cc1ccccc1 ZINC000027640354 561875359 /nfs/dbraw/zinc/87/53/59/561875359.db2.gz PEIIVGUQLWYUBO-JWZQQOIUSA-N -1 0 613.755 4.793 1 0 KJAFRM C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000027640470 561875284 /nfs/dbraw/zinc/87/52/84/561875284.db2.gz COPHJFYYOYQDKU-OYJHBXMHSA-N -1 0 576.694 4.613 1 0 KJAFRM C[C@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000027640477 561875335 /nfs/dbraw/zinc/87/53/35/561875335.db2.gz COPHJFYYOYQDKU-HFZAEZBHSA-N -1 0 576.694 4.613 1 0 KJAFRM COc1ccc(C(=O)N(Cc2cc3c(cc2Cl)OCO3)[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000027640832 561875316 /nfs/dbraw/zinc/87/53/16/561875316.db2.gz OEPOIANEIRCJRW-QHCPKHFHSA-N -1 0 506.942 4.897 1 0 KJAFRM COc1ccc(C(=O)N(Cc2cc3c(cc2Cl)OCO3)[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000027640838 561875321 /nfs/dbraw/zinc/87/53/21/561875321.db2.gz OEPOIANEIRCJRW-HSZRJFAPSA-N -1 0 506.942 4.897 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1cccc2ccncc21 ZINC000027652902 561876812 /nfs/dbraw/zinc/87/68/12/561876812.db2.gz JORBQQMYNBSCCA-CMHBFYCYSA-N -1 0 682.586 4.933 1 0 KJAFRM O=C([O-])CCCCCNC(=O)CCCCNC(=O)COc1c2ccccc2[nH]c1-c1cc2ccccc2[nH]1 ZINC000027654770 561877318 /nfs/dbraw/zinc/87/73/18/561877318.db2.gz HRFFHJWAEJWSMS-UHFFFAOYSA-N -1 0 518.614 4.743 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 ZINC000027704367 561878521 /nfs/dbraw/zinc/87/85/21/561878521.db2.gz MBWMZHLHDZJOJJ-JAPWCCBJSA-N -1 0 630.550 4.990 1 0 KJAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Oc2ccccc2)cc1 ZINC000027705371 561878634 /nfs/dbraw/zinc/87/86/34/561878634.db2.gz DBRVODXNNJOQHW-PKTZIBPZSA-N -1 0 549.432 4.881 1 0 KJAFRM CCCCc1nnc([S@@](=O)Cc2ccccc2C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027706445 561878842 /nfs/dbraw/zinc/87/88/42/561878842.db2.gz XAIIFBHGQNLXOY-LDLOPFEMSA-N -1 0 541.637 4.522 1 0 KJAFRM CCCCc1nnc([S@](=O)Cc2ccccc2C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027706450 561878854 /nfs/dbraw/zinc/87/88/54/561878854.db2.gz XAIIFBHGQNLXOY-KDXMTYKHSA-N -1 0 541.637 4.522 1 0 KJAFRM CC(C)(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000027706461 561878885 /nfs/dbraw/zinc/87/88/85/561878885.db2.gz YXPCBCHWUVICEH-RTWAWAEBSA-N -1 0 543.469 4.656 1 0 KJAFRM CCCCc1nnc([S@@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027708180 561879193 /nfs/dbraw/zinc/87/91/93/561879193.db2.gz CWLZQZOUZMNJSO-LDLOPFEMSA-N -1 0 546.649 4.936 1 0 KJAFRM CCCCc1nnc([S@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027708186 561879190 /nfs/dbraw/zinc/87/91/90/561879190.db2.gz CWLZQZOUZMNJSO-KDXMTYKHSA-N -1 0 546.649 4.936 1 0 KJAFRM COc1ccc(-c2c3oc4cc(N(C)S(C)(=O)=O)ccc4c3n(Cc3ccccc3OC)c(=O)c2C(=O)[O-])cc1 ZINC000027709719 561879427 /nfs/dbraw/zinc/87/94/27/561879427.db2.gz BUEBWCGIXCYPOZ-UHFFFAOYSA-N -1 0 562.600 4.574 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 ZINC000027709980 561879519 /nfs/dbraw/zinc/87/95/19/561879519.db2.gz MBWMZHLHDZJOJJ-RHPLHXODSA-N -1 0 630.550 4.990 1 0 KJAFRM Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC000027715992 561880148 /nfs/dbraw/zinc/88/01/48/561880148.db2.gz LCTMPMFLXABADB-UHFFFAOYSA-N -1 0 562.097 4.645 1 0 KJAFRM CCN(c1ccc2c(c1)oc1c2n(Cc2ccccc2OC)c(=O)c(C(=O)[O-])c1-c1ccc(OC)cc1)S(C)(=O)=O ZINC000027717925 561880295 /nfs/dbraw/zinc/88/02/95/561880295.db2.gz XERXKSBDJRNRHE-UHFFFAOYSA-N -1 0 576.627 4.964 1 0 KJAFRM O=C([O-])CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 ZINC000027748650 561883042 /nfs/dbraw/zinc/88/30/42/561883042.db2.gz PJZSRUKFPMOTFE-KTZMUZOWSA-N -1 0 576.456 4.894 1 0 KJAFRM CC(C)c1cc(Oc2c(I)cc(NC(=O)C(=O)[O-])cc2I)ccc1O ZINC000027761320 561884139 /nfs/dbraw/zinc/88/41/39/561884139.db2.gz YMSOUKCHGOOFAL-UHFFFAOYSA-N -1 0 567.117 4.540 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000027769268 561885061 /nfs/dbraw/zinc/88/50/61/561885061.db2.gz WRHKZVFBIZOZCV-XZOQPEGZSA-N -1 0 554.430 4.549 1 0 KJAFRM COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(F)(F)F)CC1 ZINC000027857362 561886607 /nfs/dbraw/zinc/88/66/07/561886607.db2.gz HXPQPSHHHCFYRN-UHFFFAOYSA-N -1 0 505.468 4.528 1 0 KJAFRM [NH3+][C@H](Cc1cc(I)c(Oc2cc(Br)c([O-])c(Br)c2)c(I)c1)C(=O)[O-] ZINC000027873526 561888484 /nfs/dbraw/zinc/88/84/84/561888484.db2.gz VYKUVPUUTYTWLY-GFCCVEGCSA-N -1 0 682.872 4.873 1 0 KJAFRM O=C(c1ccc([O-])c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000027880503 561889048 /nfs/dbraw/zinc/88/90/48/561889048.db2.gz BDCSQZCFFDGRCJ-UHFFFAOYSA-N -1 0 539.463 4.624 1 0 KJAFRM Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc(CCC(=O)[O-])[n+]1-c1cccc(O)c1 ZINC000027882118 561889160 /nfs/dbraw/zinc/88/91/60/561889160.db2.gz XQISJRYVRCBERI-POURPWNDSA-O -1 0 721.686 4.924 1 0 KJAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(C(=O)N(C)C)c1OC ZINC000027885588 561889412 /nfs/dbraw/zinc/88/94/12/561889412.db2.gz DHAATERTHLJWHW-VWLOTQADSA-N -1 0 513.631 4.928 1 0 in-vivo KJAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(C(=O)N(C)C)c1OC ZINC000027885594 561889461 /nfs/dbraw/zinc/88/94/61/561889461.db2.gz DHAATERTHLJWHW-RUZDIDTESA-N -1 0 513.631 4.928 1 0 in-vivo KJAFRM CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c([O-])c(NC(C)=O)c(=O)oc4c3)nc(N)c12 ZINC000027893224 561889929 /nfs/dbraw/zinc/88/99/29/561889929.db2.gz FVDOGXWGMXTSMC-UHFFFAOYSA-N -1 0 541.351 4.830 1 0 KJAFRM CSCCC[n+]1c(C)cc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc1CCC(=O)[O-] ZINC000027893642 561890047 /nfs/dbraw/zinc/89/00/47/561890047.db2.gz QLGONWRZKLDZBV-LEAFIULHSA-O -1 0 717.764 4.983 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(OCCO)nc1OCCOc1ncc(Br)cn1 ZINC000027978635 561891441 /nfs/dbraw/zinc/89/14/41/561891441.db2.gz MLDUFPDBOYCOMG-UHFFFAOYSA-N -1 0 690.573 4.757 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N(C)CCO)nc1OCCOc1ncc(Br)cn1 ZINC000027983868 561891921 /nfs/dbraw/zinc/89/19/21/561891921.db2.gz MBWVDUHYYPVIJE-UHFFFAOYSA-N -1 0 703.616 4.815 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N)nc1OCCOc1ncc(Br)cn1 ZINC000027984315 561892084 /nfs/dbraw/zinc/89/20/84/561892084.db2.gz OJTZYWBGXIEOJA-UHFFFAOYSA-N -1 0 645.536 4.968 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)C(=O)[O-])cc1 ZINC000027994827 561893608 /nfs/dbraw/zinc/89/36/08/561893608.db2.gz QSVHEGNXLMFWSO-VWLOTQADSA-N -1 0 539.625 4.790 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCCC2)C(=O)[O-])cc1 ZINC000027995963 561893877 /nfs/dbraw/zinc/89/38/77/561893877.db2.gz PLQYIPNBZHAKRA-SANMLTNESA-N -1 0 535.662 4.959 1 0 KJAFRM CCCCN1CCC(C(=O)N[C@@H](Cc2ccc(-c3ccccc3OC)cc2)C(=O)[O-])(S(=O)(=O)c2ccccc2)CC1 ZINC000027997919 561894175 /nfs/dbraw/zinc/89/41/75/561894175.db2.gz MOTXXRASOGAEQI-NDEPHWFRSA-N -1 0 578.731 4.583 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCN(c3ccccc3)CC2)C(=O)[O-])cc1 ZINC000027999880 561894548 /nfs/dbraw/zinc/89/45/48/561894548.db2.gz VNEUYOAMXXUMFL-PMERELPUSA-N -1 0 598.721 4.987 1 0 KJAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)C(=O)[O-])cc1 ZINC000028003581 561895233 /nfs/dbraw/zinc/89/52/33/561895233.db2.gz QSPRBGPZFIOHRF-DEOSSOPVSA-N -1 0 551.661 4.660 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3cccc(C)c3)CCCCC2)C(=O)[O-])cc1 ZINC000028004239 561895235 /nfs/dbraw/zinc/89/52/35/561895235.db2.gz SFAOKQAQLNGQIZ-SANMLTNESA-N -1 0 535.662 4.959 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCN(C(C)(C)C)CC2)C(=O)[O-])cc1 ZINC000028004904 561895350 /nfs/dbraw/zinc/89/53/50/561895350.db2.gz MBRSCYVIFIHNTQ-MHZLTWQESA-N -1 0 578.731 4.581 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3C)CCCCC2)C(=O)[O-])cc1 ZINC000028005371 561895307 /nfs/dbraw/zinc/89/53/07/561895307.db2.gz SAYYIMRPRXVLIL-VWLOTQADSA-N -1 0 535.662 4.959 1 0 KJAFRM Cc1cc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc(I)c1O ZINC000028006315 561895592 /nfs/dbraw/zinc/89/55/92/561895592.db2.gz XUSUIFNUXREJGS-VWLOTQADSA-N -1 0 607.448 4.720 1 0 KJAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)[O-] ZINC000028007653 561895774 /nfs/dbraw/zinc/89/57/74/561895774.db2.gz HLFOKHOTHSEMFU-OJDZSJEKSA-N -1 0 656.828 4.510 1 0 KJAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCc1cccc(CCC(=O)[O-])c1 ZINC000028008284 561895924 /nfs/dbraw/zinc/89/59/24/561895924.db2.gz XXIWLNFCSMAXEK-XZWHSSHBSA-N -1 0 617.791 4.540 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCC[C@@H](C)C2)nc1C(=O)[O-] ZINC000028014333 561896972 /nfs/dbraw/zinc/89/69/72/561896972.db2.gz AJFKBUVXIDWTCP-OLOOCYQZSA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCC[C@@H](C)C2)nc1C(=O)[O-] ZINC000028014338 561896990 /nfs/dbraw/zinc/89/69/90/561896990.db2.gz AJFKBUVXIDWTCP-QOFIPBISSA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCC[C@H](C)C2)nc1C(=O)[O-] ZINC000028014343 561896969 /nfs/dbraw/zinc/89/69/69/561896969.db2.gz AJFKBUVXIDWTCP-IZSMGAQTSA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCC[C@H](C)C2)nc1C(=O)[O-] ZINC000028014346 561896968 /nfs/dbraw/zinc/89/69/68/561896968.db2.gz AJFKBUVXIDWTCP-INDWIESVSA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCC[C@@H](C)C2)nc1C(=O)[O-] ZINC000028014351 561896973 /nfs/dbraw/zinc/89/69/73/561896973.db2.gz YODBGBBLOOMVGQ-ABZSKANCSA-N -1 0 550.704 4.601 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCC[C@@H](C)C2)nc1C(=O)[O-] ZINC000028014357 561896989 /nfs/dbraw/zinc/89/69/89/561896989.db2.gz YODBGBBLOOMVGQ-LJAMWKNPSA-N -1 0 550.704 4.601 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCC[C@H](C)C2)nc1C(=O)[O-] ZINC000028014362 561896967 /nfs/dbraw/zinc/89/69/67/561896967.db2.gz YODBGBBLOOMVGQ-DAQNBYSMSA-N -1 0 550.704 4.601 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCC[C@H](C)C2)nc1C(=O)[O-] ZINC000028014367 561897015 /nfs/dbraw/zinc/89/70/15/561897015.db2.gz YODBGBBLOOMVGQ-CJOZULMCSA-N -1 0 550.704 4.601 1 0 KJAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(C2CC2)[nH]1 ZINC000028016120 561897278 /nfs/dbraw/zinc/89/72/78/561897278.db2.gz YPZBZZBNAQUUAB-RPWUZVMVSA-N -1 0 548.688 4.867 1 0 KJAFRM CCCc1cc2c(cc1OCc1sccc1S(=O)(=O)[N-]c1onc(C)c1Br)OCO2 ZINC000028016590 561897476 /nfs/dbraw/zinc/89/74/76/561897476.db2.gz IISLJISTBMPEAA-UHFFFAOYSA-N -1 0 515.407 4.868 1 0 KJAFRM CCS(=O)(=O)NCCCOc1nc(-c2ncccn2)nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC ZINC000028017255 561897584 /nfs/dbraw/zinc/89/75/84/561897584.db2.gz ZFISXVCGLSYRRJ-UHFFFAOYSA-N -1 0 656.787 4.541 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OCCNS(=O)(=O)c1ccc(C)cc1 ZINC000028018518 561897984 /nfs/dbraw/zinc/89/79/84/561897984.db2.gz NIUISTMMHSJGFT-UHFFFAOYSA-N -1 0 662.750 4.509 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCOC23CCCCC3)nc1C(=O)[O-] ZINC000028019229 561898084 /nfs/dbraw/zinc/89/80/84/561898084.db2.gz JICVNKHGPWAGMS-BJKOFHAPSA-N -1 0 579.698 4.690 1 0 KJAFRM CCCc1cc2c(cc1OCc1ccsc1S(=O)(=O)[N-]c1onc(C)c1Br)OCO2 ZINC000028019555 561898109 /nfs/dbraw/zinc/89/81/09/561898109.db2.gz UYISEVBBWJGYIL-UHFFFAOYSA-N -1 0 515.407 4.868 1 0 KJAFRM NC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)[O-])c2c1 ZINC000028020675 561898381 /nfs/dbraw/zinc/89/83/81/561898381.db2.gz ZHQUMMFTPJTJLC-VWLOTQADSA-N -1 0 539.592 4.807 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028086514 561899170 /nfs/dbraw/zinc/89/91/70/561899170.db2.gz XPTCZRVEJCEMFM-XZOQPEGZSA-N -1 0 537.661 4.573 1 0 KJAFRM CCS(=O)(=O)NCCCOc1nc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC ZINC000028087576 561899422 /nfs/dbraw/zinc/89/94/22/561899422.db2.gz GWVRRZASHHOARI-UHFFFAOYSA-N -1 0 618.778 4.961 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCC(C)CC2)nc1C(=O)[O-] ZINC000028088490 561899579 /nfs/dbraw/zinc/89/95/79/561899579.db2.gz CUXQJQJNEAEYGC-NWOKVLSISA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)Nc2ccc(F)cc2)nc1C(=O)[O-] ZINC000028089840 561899681 /nfs/dbraw/zinc/89/96/81/561899681.db2.gz TWADFTYVLRAPTL-XZOQPEGZSA-N -1 0 549.603 4.948 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(Cc2ccc3c(c2)OCO3)nc1OCCNS(=O)(=O)c1cccs1 ZINC000028089969 561899854 /nfs/dbraw/zinc/89/98/54/561899854.db2.gz AREIPMZPPUMZCQ-UHFFFAOYSA-N -1 0 711.800 4.520 1 0 KJAFRM CCS(=O)(=O)NCCOc1nc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC ZINC000028090196 561899842 /nfs/dbraw/zinc/89/98/42/561899842.db2.gz CHLXSJALJVYDID-UHFFFAOYSA-N -1 0 604.751 4.571 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCCC[C@@H]2C)nc1C(=O)[O-] ZINC000028090515 561899797 /nfs/dbraw/zinc/89/97/97/561899797.db2.gz OHRLDMJCZCASBH-UFONIEFXSA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCCC[C@@H]2C)nc1C(=O)[O-] ZINC000028090523 561899819 /nfs/dbraw/zinc/89/98/19/561899819.db2.gz OHRLDMJCZCASBH-ZQAWKMMESA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCCC[C@H]2C)nc1C(=O)[O-] ZINC000028090532 561899835 /nfs/dbraw/zinc/89/98/35/561899835.db2.gz OHRLDMJCZCASBH-LZQXYRQZSA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCCC[C@H]2C)nc1C(=O)[O-] ZINC000028090538 561899867 /nfs/dbraw/zinc/89/98/67/561899867.db2.gz OHRLDMJCZCASBH-IBURTVSXSA-N -1 0 551.688 4.866 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCCC[C@@H]2C)nc1C(=O)[O-] ZINC000028092412 561900199 /nfs/dbraw/zinc/90/01/99/561900199.db2.gz BWWBBAYBFCKZRO-QMTRIVCPSA-N -1 0 550.704 4.601 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCCC[C@@H]2C)nc1C(=O)[O-] ZINC000028092419 561900231 /nfs/dbraw/zinc/90/02/31/561900231.db2.gz BWWBBAYBFCKZRO-ABQRKTDGSA-N -1 0 550.704 4.601 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCCC[C@H]2C)nc1C(=O)[O-] ZINC000028092426 561900253 /nfs/dbraw/zinc/90/02/53/561900253.db2.gz BWWBBAYBFCKZRO-WJXFIBLPSA-N -1 0 550.704 4.601 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCCC[C@H]2C)nc1C(=O)[O-] ZINC000028092431 561900250 /nfs/dbraw/zinc/90/02/50/561900250.db2.gz BWWBBAYBFCKZRO-LDLZHSJESA-N -1 0 550.704 4.601 1 0 KJAFRM CCn1cc(C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCC2)c2nc(C(=O)[O-])c(C)[nH]2)c2ccccc21 ZINC000028092580 561900212 /nfs/dbraw/zinc/90/02/12/561900212.db2.gz QBIDYURNSVUVBH-RPWUZVMVSA-N -1 0 550.704 4.838 1 0 KJAFRM CCc1[nH]c([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028095053 561900669 /nfs/dbraw/zinc/90/06/69/561900669.db2.gz OVVQIQYRKKFSCD-RPWUZVMVSA-N -1 0 536.677 4.552 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)OC(=O)NC2CCCCC2)nc1C(=O)[O-] ZINC000028096147 561900794 /nfs/dbraw/zinc/90/07/94/561900794.db2.gz FSHZBEPAMREIHF-VWNXMTODSA-N -1 0 537.661 4.782 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)OC2CCCCC2)nc1C(=O)[O-] ZINC000028096218 561900822 /nfs/dbraw/zinc/90/08/22/561900822.db2.gz QUJDRPRAFGCPRB-PKTZIBPZSA-N -1 0 537.661 4.782 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)CC2CCCCC2)nc1C(=O)[O-] ZINC000028096225 561900974 /nfs/dbraw/zinc/90/09/74/561900974.db2.gz WDJALAMRYSCDQD-RPWUZVMVSA-N -1 0 535.689 4.809 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCC(C)CC2)nc1C(=O)[O-] ZINC000028096270 561901008 /nfs/dbraw/zinc/90/10/08/561901008.db2.gz NOWOXBNBLMDHNY-VJZJYSEDSA-N -1 0 550.704 4.601 1 0 KJAFRM CCCc1[nH]c([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028096767 561901010 /nfs/dbraw/zinc/90/10/10/561901010.db2.gz XQCNJQIHUCCULL-RPBOFIJWSA-N -1 0 550.704 4.942 1 0 KJAFRM CCc1oc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028096780 561900988 /nfs/dbraw/zinc/90/09/88/561900988.db2.gz JLFMTEUPFGHXDG-XZOQPEGZSA-N -1 0 537.661 4.817 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N(C)C2CCCCC2)nc1C(=O)[O-] ZINC000028100465 561901552 /nfs/dbraw/zinc/90/15/52/561901552.db2.gz CYNRTRAOTKDFNE-BJKOFHAPSA-N -1 0 551.688 4.962 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C)C)nc1C(=O)[O-] ZINC000028100469 561901560 /nfs/dbraw/zinc/90/15/60/561901560.db2.gz VWBNQTBYAHOFDQ-HYBUGGRVSA-N -1 0 535.689 4.809 1 0 KJAFRM CCCS(=O)(=O)NCCCOc1nc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC ZINC000028101363 561901733 /nfs/dbraw/zinc/90/17/33/561901733.db2.gz HQIPFADRUMZDIT-UHFFFAOYSA-N -1 0 619.766 4.572 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N(C)C2CCCCC2)nc1C(=O)[O-] ZINC000028102179 561901767 /nfs/dbraw/zinc/90/17/67/561901767.db2.gz JUYJVWUMDGZHSF-RPWUZVMVSA-N -1 0 550.704 4.697 1 0 KJAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(Cl)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000028105493 561902194 /nfs/dbraw/zinc/90/21/94/561902194.db2.gz UAJKFNZFRYXVSB-UHFFFAOYSA-N -1 0 576.860 4.917 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)N(C)C(=O)NC2CCCCC2)nc1C(=O)[O-] ZINC000028107897 561902621 /nfs/dbraw/zinc/90/26/21/561902621.db2.gz GGGSQHCWNBTLSJ-NOZRDPDXSA-N -1 0 550.704 4.697 1 0 KJAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)N(C)C(=O)NC2CCCCC2)nc1C(=O)[O-] ZINC000028110236 561903001 /nfs/dbraw/zinc/90/30/01/561903001.db2.gz VKVUQJMVRPZBIO-NOZRDPDXSA-N -1 0 551.688 4.962 1 0 KJAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2NCCOc2ncccn2)c1 ZINC000028110665 561903003 /nfs/dbraw/zinc/90/30/03/561903003.db2.gz JBEKJJLVSSCNMS-UHFFFAOYSA-N -1 0 550.641 4.657 1 0 KJAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCCC2)nc1C(=O)[O-] ZINC000028115964 561903833 /nfs/dbraw/zinc/90/38/33/561903833.db2.gz YMVVCMZSJQRDLI-RPWUZVMVSA-N -1 0 550.704 4.745 1 0 KJAFRM CC(=O)Cc1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028116628 561903755 /nfs/dbraw/zinc/90/37/55/561903755.db2.gz VMMBVFVCZOAJBB-UHFFFAOYSA-N -1 0 515.422 4.809 1 0 KJAFRM Cc1ccc([C@H]2C(=O)Nc3ccc(I)cc3C(=O)N2[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000028118681 561904251 /nfs/dbraw/zinc/90/42/51/561904251.db2.gz HMFXZUBOYSHHRF-SFTDATJTSA-N -1 0 526.330 4.561 1 0 KJAFRM O=C([O-])[C@H](c1ccc(Cl)nc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1cc2ccccc2[nH]1 ZINC000028120591 561904553 /nfs/dbraw/zinc/90/45/53/561904553.db2.gz NHTVGIQKUQJTBF-SFTDATJTSA-N -1 0 586.773 4.782 1 0 KJAFRM COc1ccc(Br)cc1[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C)C1CC1 ZINC000028134560 561906345 /nfs/dbraw/zinc/90/63/45/561906345.db2.gz PZGAUVPJLKPEHV-FDJWOJMMSA-N -1 0 619.578 4.554 1 0 KJAFRM Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@H](Cc4ccccc4)C(=O)[O-])CCCC3)cc2)c1 ZINC000028220032 561907193 /nfs/dbraw/zinc/90/71/93/561907193.db2.gz JZYHKBSCZJILGL-HHHXNRCGSA-N -1 0 514.622 4.988 1 0 KJAFRM Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])CCCC3)cc2)c1 ZINC000028220037 561907170 /nfs/dbraw/zinc/90/71/70/561907170.db2.gz JZYHKBSCZJILGL-MHZLTWQESA-N -1 0 514.622 4.988 1 0 KJAFRM CC(C)[C@@H](NC(=O)C(F)(F)C(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)[O-] ZINC000028229862 561908879 /nfs/dbraw/zinc/90/88/79/561908879.db2.gz KHGPGZYNUPPZOL-DYIKCSJPSA-N -1 0 681.733 4.674 1 0 KJAFRM CC(C)[C@@H](NC(=O)C(F)(F)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)[O-] ZINC000028229866 561908955 /nfs/dbraw/zinc/90/89/55/561908955.db2.gz KHGPGZYNUPPZOL-OIFRRMEBSA-N -1 0 681.733 4.674 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000028230580 561908930 /nfs/dbraw/zinc/90/89/30/561908930.db2.gz VRBYANBVEXRZTB-YTMVLYRLSA-N -1 0 577.662 4.992 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000028230584 561909114 /nfs/dbraw/zinc/90/91/14/561909114.db2.gz VRBYANBVEXRZTB-PXJZQJOASA-N -1 0 577.662 4.992 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028232422 561909328 /nfs/dbraw/zinc/90/93/28/561909328.db2.gz PNLPEFDGBQPKAF-JDXGNMNLSA-N -1 0 650.713 4.676 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028232426 561909326 /nfs/dbraw/zinc/90/93/26/561909326.db2.gz PNLPEFDGBQPKAF-DGPALRBDSA-N -1 0 650.713 4.676 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000028232900 561909361 /nfs/dbraw/zinc/90/93/61/561909361.db2.gz NQIXDTDBVQANSX-WYFQIGFKSA-N -1 0 745.858 4.947 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000028233086 561909382 /nfs/dbraw/zinc/90/93/82/561909382.db2.gz OSIGCGJGUHPSSV-LRLRZZHFSA-N -1 0 731.831 4.559 1 0 KJAFRM C[C@@H]1Cc2ccc(Cl)c(Cl)c2CN1S(=O)(=O)[N-]S(=O)(=O)N1Cc2c(ccc(Cl)c2Cl)C[C@@H]1C ZINC000028237042 561909975 /nfs/dbraw/zinc/90/99/75/561909975.db2.gz OHEDIAUUNRZGAB-TXEJJXNPSA-N -1 0 573.351 4.573 1 0 KJAFRM C[C@H]1Cc2ccc(Cl)c(Cl)c2CN1S(=O)(=O)[N-]S(=O)(=O)N1Cc2c(ccc(Cl)c2Cl)C[C@@H]1C ZINC000028237048 561909973 /nfs/dbraw/zinc/90/99/73/561909973.db2.gz OHEDIAUUNRZGAB-RYUDHWBXSA-N -1 0 573.351 4.573 1 0 KJAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2c(cccc2-c2ccccc2)C1)N1CCc2c(cccc2-c2ccccc2)C1 ZINC000028240409 561910385 /nfs/dbraw/zinc/91/03/85/561910385.db2.gz BRTFCIILJJJKKX-UHFFFAOYSA-N -1 0 559.713 4.516 1 0 KJAFRM C[C@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)[N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C ZINC000028244214 561910708 /nfs/dbraw/zinc/91/07/08/561910708.db2.gz QGNFIJHNSUNXPR-RYUDHWBXSA-N -1 0 573.351 4.918 1 0 KJAFRM C[C@@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)[N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C ZINC000028244221 561910690 /nfs/dbraw/zinc/91/06/90/561910690.db2.gz QGNFIJHNSUNXPR-TXEJJXNPSA-N -1 0 573.351 4.918 1 0 KJAFRM COc1ccc2c(c1)c(CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028251079 561910959 /nfs/dbraw/zinc/91/09/59/561910959.db2.gz YGBWTKPJKIUQGL-DEOSSOPVSA-N -1 0 504.970 4.655 1 0 KJAFRM CC(C)[C@H](C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000028258031 561911904 /nfs/dbraw/zinc/91/19/04/561911904.db2.gz HEXFNMXHXGLFOY-OZFLXDGESA-N -1 0 747.830 4.931 1 0 KJAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)nc1 ZINC000028330791 561912700 /nfs/dbraw/zinc/91/27/00/561912700.db2.gz GHHRPEIJMVCVMO-OALUTQOASA-N -1 0 582.181 4.955 1 0 KJAFRM COc1ccc(Br)cc1[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C)C(C)C ZINC000028332926 561912939 /nfs/dbraw/zinc/91/29/39/561912939.db2.gz FMVVULCHYLACOQ-FDJWOJMMSA-N -1 0 621.594 4.800 1 0 KJAFRM CCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C)c1cc(Br)ccc1OC ZINC000028336667 561913475 /nfs/dbraw/zinc/91/34/75/561913475.db2.gz IDLVJTHDMSCUEV-ZYVVXELTSA-N -1 0 621.594 4.944 1 0 KJAFRM O=C([O-])[C@H](c1ccc(Cl)nc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028337367 561913624 /nfs/dbraw/zinc/91/36/24/561913624.db2.gz YJJZWNLWGRTLCM-OALUTQOASA-N -1 0 582.181 4.955 1 0 KJAFRM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028337988 561913610 /nfs/dbraw/zinc/91/36/10/561913610.db2.gz KDGSHFIQXUCTKF-SFTDATJTSA-N -1 0 560.775 4.776 1 0 KJAFRM CCc1ccc([C@H]2C(=O)Nc3ccc(I)cc3C(=O)N2[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000028338002 561913602 /nfs/dbraw/zinc/91/36/02/561913602.db2.gz ZWLYHYSXVKYCIB-VXKWHMMOSA-N -1 0 540.357 4.815 1 0 KJAFRM CC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C(=O)[O-])c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(=O)N2 ZINC000028339104 561913773 /nfs/dbraw/zinc/91/37/73/561913773.db2.gz LEKPUGPTRDEWDN-VXKWHMMOSA-N -1 0 512.349 4.913 1 0 KJAFRM O=C([O-])[C@H](c1ccc(Cl)nc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1c[nH]c2ccccc21 ZINC000028342481 561914308 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COc1cc(CC(=O)[O-])ccc1OCCCCOc1ccc(CC(=O)N(C)CCc2ccccc2)cc1 ZINC000028712395 561952962 /nfs/dbraw/zinc/95/29/62/561952962.db2.gz AMHXWOKORQAUOP-UHFFFAOYSA-N -1 0 505.611 4.804 1 0 KJAFRM Cc1nn2c(nc(C3CC3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)c1-c1ccccc1 ZINC000028755288 561955467 /nfs/dbraw/zinc/95/54/67/561955467.db2.gz QAYLPGUVTYVPJB-OKRGKCMKSA-N -1 0 501.558 4.988 1 0 KJAFRM CCCCc1nc2ccc([N-]S(=O)(=O)C(F)(F)F)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028756405 561956264 /nfs/dbraw/zinc/95/62/64/561956264.db2.gz KMZFJSGCSYZPHI-UHFFFAOYSA-N -1 0 583.596 4.896 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccccc1-c1ccccc1 ZINC000028760089 561957673 /nfs/dbraw/zinc/95/76/73/561957673.db2.gz WMBSYCGFXYMNDV-LBNVMWSVSA-N -1 0 536.609 4.965 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccccc1-c1ccccc1 ZINC000028760092 561957707 /nfs/dbraw/zinc/95/77/07/561957707.db2.gz WMBSYCGFXYMNDV-LEAFIULHSA-N -1 0 536.609 4.965 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1 ZINC000028760113 561957709 /nfs/dbraw/zinc/95/77/09/561957709.db2.gz JAJRKQPDHKTRGI-LMSSTIIKSA-N -1 0 550.636 4.889 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1 ZINC000028760115 561957663 /nfs/dbraw/zinc/95/76/63/561957663.db2.gz JAJRKQPDHKTRGI-XRKRLSELSA-N -1 0 550.636 4.889 1 0 KJAFRM CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(C(=O)c2ccccc2)cc1)C(C)(C)C ZINC000028760161 561957802 /nfs/dbraw/zinc/95/78/02/561957802.db2.gz JAUBLRWRUUJACD-ZCYQVOJMSA-N -1 0 514.603 4.627 1 0 KJAFRM CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(C(=O)c2ccccc2)cc1)C(C)(C)C ZINC000028760163 561957810 /nfs/dbraw/zinc/95/78/10/561957810.db2.gz JAUBLRWRUUJACD-NOZRDPDXSA-N -1 0 514.603 4.627 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(-c2ccccc2)cc1 ZINC000028760453 561957882 /nfs/dbraw/zinc/95/78/82/561957882.db2.gz HPCXAPXFNINZBJ-XTEPFMGCSA-N -1 0 536.609 4.965 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(-c2ccccc2)cc1 ZINC000028760455 561957939 /nfs/dbraw/zinc/95/79/39/561957939.db2.gz HPCXAPXFNINZBJ-IXCJQBJRSA-N -1 0 536.609 4.965 1 0 KJAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(OC)cccc2C(=O)[O-])cc1 ZINC000028760577 561957935 /nfs/dbraw/zinc/95/79/35/561957935.db2.gz CZYHFFFUXBYYOZ-UHFFFAOYSA-N -1 0 513.978 4.602 1 0 KJAFRM CC(=O)N1CCC[C@H]1C(=O)NCCCC[P@@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000028760797 561958031 /nfs/dbraw/zinc/95/80/31/561958031.db2.gz DEQRLFQPZJLTBQ-HQMADOEBSA-N -1 0 640.762 4.583 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000028760826 561958046 /nfs/dbraw/zinc/95/80/46/561958046.db2.gz VIMQMQODDPGGOT-MFMCTBQISA-N -1 0 607.688 4.531 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000028760828 561957997 /nfs/dbraw/zinc/95/79/97/561957997.db2.gz VIMQMQODDPGGOT-PQHLKRTFSA-N -1 0 607.688 4.531 1 0 KJAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028761604 561958245 /nfs/dbraw/zinc/95/82/45/561958245.db2.gz HYHIQAFSQLGKDK-MOPGFXCFSA-N -1 0 593.068 4.579 1 0 KJAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028761606 561958218 /nfs/dbraw/zinc/95/82/18/561958218.db2.gz HYHIQAFSQLGKDK-OALUTQOASA-N -1 0 593.068 4.579 1 0 KJAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028761608 561958230 /nfs/dbraw/zinc/95/82/30/561958230.db2.gz HYHIQAFSQLGKDK-RTBURBONSA-N -1 0 593.068 4.579 1 0 KJAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028761609 561958253 /nfs/dbraw/zinc/95/82/53/561958253.db2.gz HYHIQAFSQLGKDK-RBUKOAKNSA-N -1 0 593.068 4.579 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1cccc(-c2ccccc2)c1 ZINC000028761877 561958326 /nfs/dbraw/zinc/95/83/26/561958326.db2.gz DCOFBFUFYCNWSS-XTEPFMGCSA-N -1 0 536.609 4.965 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1cccc(-c2ccccc2)c1 ZINC000028761879 561958302 /nfs/dbraw/zinc/95/83/02/561958302.db2.gz DCOFBFUFYCNWSS-IXCJQBJRSA-N -1 0 536.609 4.965 1 0 KJAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)c2cccc3ccccc32)ccc1-c1ccccc1)C(=O)COc1ccccc1 ZINC000028764520 561959193 /nfs/dbraw/zinc/95/91/93/561959193.db2.gz QAWLNQVKHNZGKD-LJAQVGFWSA-N -1 0 603.631 4.528 1 0 KJAFRM CCCCCCc1ccc(NC(=O)c2cccc3ccccc32)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764636 561959201 /nfs/dbraw/zinc/95/92/01/561959201.db2.gz WNMARUWLAHRRPY-PMERELPUSA-N -1 0 611.695 4.984 1 0 KJAFRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1c(C)ccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028764980 561959384 /nfs/dbraw/zinc/95/93/84/561959384.db2.gz AJOLNOBQDHKUKQ-NSOVKSMOSA-N -1 0 583.641 4.511 1 0 KJAFRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1c(C)ccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028764982 561959362 /nfs/dbraw/zinc/95/93/62/561959362.db2.gz AJOLNOBQDHKUKQ-WUFINQPMSA-N -1 0 583.641 4.511 1 0 KJAFRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028765398 561959507 /nfs/dbraw/zinc/95/95/07/561959507.db2.gz SRXWDKMOSUYGJD-NSOVKSMOSA-N -1 0 583.641 4.593 1 0 KJAFRM CCCC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028765400 561959517 /nfs/dbraw/zinc/95/95/17/561959517.db2.gz SRXWDKMOSUYGJD-WUFINQPMSA-N -1 0 583.641 4.593 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H]2CSCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000028766674 561959832 /nfs/dbraw/zinc/95/98/32/561959832.db2.gz JHRWRZACLCUNPT-XZOQPEGZSA-N -1 0 595.526 4.545 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CSCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000028766875 561959801 /nfs/dbraw/zinc/95/98/01/561959801.db2.gz JHRWRZACLCUNPT-GOTSBHOMSA-N -1 0 595.526 4.545 1 0 KJAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000028766987 561959843 /nfs/dbraw/zinc/95/98/43/561959843.db2.gz SITGJFUZUFHSHU-ZEQRLZLVSA-N -1 0 577.486 4.634 1 0 KJAFRM O=C([O-])CCc1cc(Cc2ccc(F)cc2)cc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028768468 561960457 /nfs/dbraw/zinc/96/04/57/561960457.db2.gz HLNSDDAMKRSPIF-QHCPKHFHSA-N -1 0 502.007 4.923 1 0 KJAFRM O=C([O-])CCc1cc(Cc2ccc(F)cc2)cc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028768470 561960461 /nfs/dbraw/zinc/96/04/61/561960461.db2.gz HLNSDDAMKRSPIF-HSZRJFAPSA-N -1 0 502.007 4.923 1 0 KJAFRM Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(N(CCCC(=O)[O-])C(=O)c4ccccc4)cc3c2=O)cc1 ZINC000028769391 561960904 /nfs/dbraw/zinc/96/09/04/561960904.db2.gz WSXBUXSDJVVTQW-UHFFFAOYSA-N -1 0 599.651 4.814 1 0 KJAFRM COc1cccc(Cc2cc(CCC(=O)[O-])c3c(c2)C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000028769937 561961015 /nfs/dbraw/zinc/96/10/15/561961015.db2.gz JWGIOZDLLIIDRG-HSZRJFAPSA-N -1 0 514.043 4.792 1 0 KJAFRM COc1cccc(Cc2cc(CCC(=O)[O-])c3c(c2)C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000028769939 561961031 /nfs/dbraw/zinc/96/10/31/561961031.db2.gz JWGIOZDLLIIDRG-QHCPKHFHSA-N -1 0 514.043 4.792 1 0 KJAFRM Cc1noc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3([N-]C(=O)C(F)(F)F)CC3)c(F)c2)n1 ZINC000028822401 561966998 /nfs/dbraw/zinc/96/69/98/561966998.db2.gz RGRZIBQGWGGRBB-LLVKDONJSA-N -1 0 510.875 4.893 1 0 KJAFRM Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3([N-]C(=O)C(F)(F)F)CC3)c(F)c2)no1 ZINC000028822402 561967011 /nfs/dbraw/zinc/96/70/11/561967011.db2.gz POJZISRDDSYGLT-LLVKDONJSA-N -1 0 510.875 4.893 1 0 KJAFRM COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000028822407 561967003 /nfs/dbraw/zinc/96/70/03/561967003.db2.gz CTTRNBSBIYRLLN-SNVBAGLBSA-N -1 0 521.294 4.974 1 0 KJAFRM CCOC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000028822454 561966973 /nfs/dbraw/zinc/96/69/73/561966973.db2.gz LVYWHMKNPZAGSS-SNVBAGLBSA-N -1 0 536.309 4.760 1 0 KJAFRM O=C([O-])c1[nH]c2ccccc2c1C1CC[NH+]([C@@H](C(=O)[O-])C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000028824825 561970045 /nfs/dbraw/zinc/97/00/45/561970045.db2.gz ACMDLUNFJYIKIT-NWFTYUCRSA-N -1 0 569.580 4.868 1 0 KJAFRM O=C([O-])c1[nH]c2ccccc2c1C1CC[NH+]([C@H](C(=O)[O-])C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000028824826 561970079 /nfs/dbraw/zinc/97/00/79/561970079.db2.gz ACMDLUNFJYIKIT-GFPUREGVSA-N -1 0 569.580 4.868 1 0 KJAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NC(=O)c3ccccc3)c2)c(Br)c1 ZINC000028825847 561971107 /nfs/dbraw/zinc/97/11/07/561971107.db2.gz LJITWXWEDRDUFO-UHFFFAOYSA-N -1 0 549.171 4.907 1 0 KJAFRM O=C(Nc1cc(Cl)ccc1F)c1cc(I)cc(I)c1[O-] ZINC000028863537 561972293 /nfs/dbraw/zinc/97/22/93/561972293.db2.gz PSMAPTHBJHUKRP-UHFFFAOYSA-N -1 0 517.463 4.646 1 0 KJAFRM Cc1c([O-])c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028876574 561975836 /nfs/dbraw/zinc/97/58/36/561975836.db2.gz OITFQCYATMIQOZ-LJOHMEHOSA-N -1 0 652.693 4.718 1 0 KJAFRM Cc1cc2c(c3oc(=O)cc([O-])c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000028876585 561975829 /nfs/dbraw/zinc/97/58/29/561975829.db2.gz YGHPXRQUIPOGKF-XWVOHUCTSA-N -1 0 652.693 4.718 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C/CCCCCCN(N)C(=O)[C@@H]2C1 ZINC000028877261 561975931 /nfs/dbraw/zinc/97/59/31/561975931.db2.gz RTRUBGYWYFBBNH-FCBOEFDVSA-N -1 0 612.727 4.866 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C/CCCCCCN(N)C(=O)[C@H]2C1 ZINC000028877265 561975858 /nfs/dbraw/zinc/97/58/58/561975858.db2.gz RTRUBGYWYFBBNH-AWGYGAEISA-N -1 0 612.727 4.866 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C/CCCCN(C)C(=O)[C@@H]2C1 ZINC000028877274 561976026 /nfs/dbraw/zinc/97/60/26/561976026.db2.gz IJCUACOCYQAOBJ-RKWYOVCGSA-N -1 0 583.685 4.842 1 0 KJAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000028879450 561976268 /nfs/dbraw/zinc/97/62/68/561976268.db2.gz FRPXYNTWDOKHSJ-SANMLTNESA-N -1 0 514.545 4.661 1 0 KJAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000028879794 561976504 /nfs/dbraw/zinc/97/65/04/561976504.db2.gz USBFCEVLSGVYMI-QFIPXVFZSA-N -1 0 508.490 4.762 1 0 KJAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCCc2cccs2)c1=O ZINC000028880644 561976765 /nfs/dbraw/zinc/97/67/65/561976765.db2.gz IYNNJMRCPJPTMI-ZEQRLZLVSA-N -1 0 580.751 4.760 1 0 KJAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCCc2cccs2)c1=O ZINC000028880651 561976734 /nfs/dbraw/zinc/97/67/34/561976734.db2.gz IYNNJMRCPJPTMI-BJKOFHAPSA-N -1 0 580.751 4.760 1 0 KJAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCc2cc(OC)cc(OC)c2)c1=O ZINC000028880659 561976751 /nfs/dbraw/zinc/97/67/51/561976751.db2.gz DWGRSJBIHVFBFL-SVBPBHIXSA-N -1 0 620.747 4.673 1 0 KJAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCc2cc(OC)cc(OC)c2)c1=O ZINC000028880666 561976723 /nfs/dbraw/zinc/97/67/23/561976723.db2.gz DWGRSJBIHVFBFL-RRPNLBNLSA-N -1 0 620.747 4.673 1 0 KJAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(Nc2ccc3c(c2)OCCO3)c1=O ZINC000028880673 561976767 /nfs/dbraw/zinc/97/67/67/561976767.db2.gz VIUJQQJJJZNKDP-ZEQRLZLVSA-N -1 0 604.704 4.558 1 0 KJAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(Nc2ccc3c(c2)OCCO3)c1=O ZINC000028880680 561976721 /nfs/dbraw/zinc/97/67/21/561976721.db2.gz VIUJQQJJJZNKDP-BJKOFHAPSA-N -1 0 604.704 4.558 1 0 KJAFRM CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])[C@]2(C/C=C(/C)CCC=C(C)C)c3ccccc3N[C@H]12 ZINC000028888001 561977897 /nfs/dbraw/zinc/97/78/97/561977897.db2.gz BFIVSJLJVPAZBY-NWGMOJEGSA-N -1 0 729.919 4.752 1 0 KJAFRM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2-c2nc(=O)o[n-]2)cc1 ZINC000028897175 561979235 /nfs/dbraw/zinc/97/92/35/561979235.db2.gz FOLFVLKYYPKJNT-UHFFFAOYSA-N -1 0 563.817 4.936 1 0 KJAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000028898325 561979508 /nfs/dbraw/zinc/97/95/08/561979508.db2.gz YVXGRBGGZCGCQZ-ZDUSSCGKSA-N -1 0 586.006 4.645 1 0 KJAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(C3CC3)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000028898516 561979515 /nfs/dbraw/zinc/97/95/15/561979515.db2.gz MIYHSWOLOIVKNM-HNNXBMFYSA-N -1 0 591.626 4.869 1 0 KJAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(NC3CC3)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000028898657 561979544 /nfs/dbraw/zinc/97/95/44/561979544.db2.gz VTJMJXFRSYOKKK-HNNXBMFYSA-N -1 0 606.641 4.566 1 0 KJAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000028898670 561979533 /nfs/dbraw/zinc/97/95/33/561979533.db2.gz ZWRBQWNIYZAUOH-LBPRGKRZSA-N -1 0 603.996 4.784 1 0 KJAFRM CNc1cccc(F)c1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028898872 561979524 /nfs/dbraw/zinc/97/95/24/561979524.db2.gz ODUDHSGVPPLXOQ-ZDUSSCGKSA-N -1 0 615.048 4.687 1 0 KJAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2N(C)C)cc1 ZINC000028898882 561979472 /nfs/dbraw/zinc/97/94/72/561979472.db2.gz HDISCPHXDLSWKV-AWEZNQCLSA-N -1 0 629.075 4.711 1 0 KJAFRM CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc([O-])c3nc(-c4ccc(Cl)cc4Cl)[nH]c32)cc1 ZINC000028950437 561981348 /nfs/dbraw/zinc/98/13/48/561981348.db2.gz BFHQTAMNYUCFBP-UHFFFAOYSA-N -1 0 519.410 4.586 1 0 in-vitro KJAFRM CCNC(=O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n1C(C)C ZINC000028951329 561981590 /nfs/dbraw/zinc/98/15/90/561981590.db2.gz MWWOQUPKUMSDEP-DHIUTWEWSA-N -1 0 510.606 4.811 1 0 KJAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)N(C)C ZINC000028951335 561981572 /nfs/dbraw/zinc/98/15/72/561981572.db2.gz GZJQCEOLKPIMJQ-DHIUTWEWSA-N -1 0 510.606 4.763 1 0 KJAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NC1CC1 ZINC000028951355 561981560 /nfs/dbraw/zinc/98/15/60/561981560.db2.gz ZSXJIJXYHFMLQI-DNQXCXABSA-N -1 0 522.617 4.954 1 0 KJAFRM CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)[O-] ZINC000028951367 561981678 /nfs/dbraw/zinc/98/16/78/561981678.db2.gz HYYRYCINBYWERR-VABKMULXSA-N -1 0 574.687 4.687 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)c4ccncc4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000028957942 561983427 /nfs/dbraw/zinc/98/34/27/561983427.db2.gz POJROLLQRGSRDE-MHZLTWQESA-N -1 0 543.645 4.900 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)c4cccnc4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000028957945 561983429 /nfs/dbraw/zinc/98/34/29/561983429.db2.gz UKAQISBBLIRWPF-MHZLTWQESA-N -1 0 543.645 4.900 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)c4ccccn4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000028957950 561983442 /nfs/dbraw/zinc/98/34/42/561983442.db2.gz IJHIUSVLXYPICD-MHZLTWQESA-N -1 0 543.645 4.900 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)c4ccc[nH]4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000028957954 561983458 /nfs/dbraw/zinc/98/34/58/561983458.db2.gz GVYJQQSMQOOSHX-SANMLTNESA-N -1 0 531.634 4.833 1 0 KJAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000028960758 561984141 /nfs/dbraw/zinc/98/41/41/561984141.db2.gz NJLYIWVYOOAOGD-UHFFFAOYSA-N -1 0 500.511 4.773 1 0 KJAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000028960813 561984081 /nfs/dbraw/zinc/98/40/81/561984081.db2.gz AYNZBUDTDWVQJH-UHFFFAOYSA-N -1 0 518.501 4.912 1 0 KJAFRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000028965299 561984864 /nfs/dbraw/zinc/98/48/64/561984864.db2.gz DFBVJALNMQILKP-MHVBGCJXSA-N -1 0 623.794 4.813 1 0 KJAFRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000028965305 561984888 /nfs/dbraw/zinc/98/48/88/561984888.db2.gz DFBVJALNMQILKP-NURAIAMQSA-N -1 0 623.794 4.813 1 0 KJAFRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000028965310 561984923 /nfs/dbraw/zinc/98/49/23/561984923.db2.gz DFBVJALNMQILKP-FMWYZCBISA-N -1 0 623.794 4.813 1 0 KJAFRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000028965318 561984876 /nfs/dbraw/zinc/98/48/76/561984876.db2.gz DFBVJALNMQILKP-XLRFJBHPSA-N -1 0 623.794 4.813 1 0 KJAFRM CCCCCCOC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O ZINC000028966590 561985253 /nfs/dbraw/zinc/98/52/53/561985253.db2.gz ZFCZZEQQXKJBQU-SZJOQHQFSA-N -1 0 502.604 4.821 1 0 KJAFRM CC(=O)O[C@]12CCC(C(=O)OCC3CCCCC3)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O ZINC000028966599 561985273 /nfs/dbraw/zinc/98/52/73/561985273.db2.gz MSFUHFUEUOPVEO-NYRWZICESA-N -1 0 514.615 4.821 1 0 KJAFRM COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(=O)Cc2ccc(Cl)cc2)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O ZINC000028966682 561985258 /nfs/dbraw/zinc/98/52/58/561985258.db2.gz NASCNLSRANKCAV-JOCDDQNKSA-N -1 0 543.012 4.747 1 0 KJAFRM O=C(NCc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)N2CCCCC2)s1)c1ccccc1 ZINC000028969395 561985630 /nfs/dbraw/zinc/98/56/30/561985630.db2.gz HTEGPOXMWMUCGU-UHFFFAOYSA-N -1 0 562.511 4.868 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(CC(C)C)cc1 ZINC000028974039 561986267 /nfs/dbraw/zinc/98/62/67/561986267.db2.gz AFWCNNHUVOTFBX-AHKZPQOWSA-N -1 0 530.646 4.800 1 0 KJAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(CC(C)C)cc1 ZINC000028974045 561986278 /nfs/dbraw/zinc/98/62/78/561986278.db2.gz AFWCNNHUVOTFBX-XNMGPUDCSA-N -1 0 530.646 4.800 1 0 KJAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978065 561987538 /nfs/dbraw/zinc/98/75/38/561987538.db2.gz AYYVCIVIOZHWEO-SXOMAYOGSA-N -1 0 596.706 4.718 1 0 KJAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978072 561987586 /nfs/dbraw/zinc/98/75/86/561987586.db2.gz AYYVCIVIOZHWEO-RRPNLBNLSA-N -1 0 596.706 4.718 1 0 KJAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978078 561987561 /nfs/dbraw/zinc/98/75/61/561987561.db2.gz AYYVCIVIOZHWEO-KAYWLYCHSA-N -1 0 596.706 4.718 1 0 KJAFRM COC(=O)c1c(O)cccc1OCCCCc1c[nH]c([C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)n1 ZINC000028978187 561987689 /nfs/dbraw/zinc/98/76/89/561987689.db2.gz ZYYILCFZQNKLOI-UHSQPCAPSA-N -1 0 714.794 4.745 1 0 KJAFRM COC(=O)c1c(O)cccc1OCCCCc1c[nH]c([C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)n1 ZINC000028978190 561987652 /nfs/dbraw/zinc/98/76/52/561987652.db2.gz ZYYILCFZQNKLOI-WNJJXGMVSA-N -1 0 714.794 4.745 1 0 KJAFRM COC(=O)c1c(O)cccc1OCCCCc1c[nH]c([C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)n1 ZINC000028978195 561987708 /nfs/dbraw/zinc/98/77/08/561987708.db2.gz ZYYILCFZQNKLOI-GGXMVOPNSA-N -1 0 714.794 4.745 1 0 KJAFRM COC(=O)c1c(O)cccc1OCCCCc1c[nH]c([C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)n1 ZINC000028978198 561987644 /nfs/dbraw/zinc/98/76/44/561987644.db2.gz ZYYILCFZQNKLOI-LITSAYRRSA-N -1 0 714.794 4.745 1 0 KJAFRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(N3CCN(c4ccc(-c5ccccc5)cc4)CC3)cc2)C(=O)[O-])cc1 ZINC000028978639 561987954 /nfs/dbraw/zinc/98/79/54/561987954.db2.gz LLULTILUFGKYFX-PXLJZGITSA-N -1 0 652.817 4.954 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(N2CCN(c3ccccc3)CC2)cc1)NC(=O)c1c(F)cccc1C(F)(F)F ZINC000028978822 561988056 /nfs/dbraw/zinc/98/80/56/561988056.db2.gz AWFDHZGNICLZNJ-QHCPKHFHSA-N -1 0 515.507 4.597 1 0 KJAFRM CC(C)c1c(S(=O)(=O)N2CCCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037711 561988729 /nfs/dbraw/zinc/98/87/29/561988729.db2.gz BSBVKEVELKNWKN-JWQCQUIFSA-N -1 0 572.699 4.846 1 0 KJAFRM CC(C)c1c(S(=O)(=O)N2CCSCC2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037731 561988685 /nfs/dbraw/zinc/98/86/85/561988685.db2.gz IKPHTPMSGDEMSI-JWQCQUIFSA-N -1 0 622.756 4.938 1 0 KJAFRM CC1CC2=C(S1)C(=O)[C@]1(O[C@@H](c3ccc(Br)c(Br)c3)[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)[C@H]1C(=O)[O-])C2=O ZINC000029042189 561991293 /nfs/dbraw/zinc/99/12/93/561991293.db2.gz IJOGIEWSPWEDAX-PBNSEMRDSA-N -1 0 706.409 4.601 1 0 KJAFRM CC1CC2=C(S1)C(=O)[C@]1(O[C@@H](c3ccc(Br)c(Br)c3)[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)[C@H]1C(=O)[O-])C2=O ZINC000029042190 561991376 /nfs/dbraw/zinc/99/13/76/561991376.db2.gz IJOGIEWSPWEDAX-VAINALSMSA-N -1 0 706.409 4.601 1 0 KJAFRM CC1CC2=C(S1)C(=O)[C@]1(O[C@@H](c3ccc(Br)c(Br)c3)[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)[C@H]1C(=O)[O-])C2=O ZINC000029042192 561991379 /nfs/dbraw/zinc/99/13/79/561991379.db2.gz IJOGIEWSPWEDAX-PEIQQKQPSA-N -1 0 706.409 4.601 1 0 KJAFRM CC1CC2=C(S1)C(=O)[C@]1(O[C@@H](c3ccc(Br)c(Br)c3)[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)[C@H]1C(=O)[O-])C2=O ZINC000029042194 561991392 /nfs/dbraw/zinc/99/13/92/561991392.db2.gz IJOGIEWSPWEDAX-SSNSZMABSA-N -1 0 706.409 4.601 1 0 KJAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OCCc3nc(-c4ccccc4)oc3CO)cc2)cc1 ZINC000029042771 561991628 /nfs/dbraw/zinc/99/16/28/561991628.db2.gz SZQYQVHETQTNHR-UHFFFAOYSA-N -1 0 532.549 4.550 1 0 KJAFRM Cc1oc(-c2ccc(O)cc2)nc1CCOc1ccc(CN(CC(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000029042853 561991634 /nfs/dbraw/zinc/99/16/34/561991634.db2.gz LRJREHQQPBRDLI-UHFFFAOYSA-N -1 0 518.522 4.768 1 0 KJAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)(C)C(=O)[O-])cs1)C(C)C ZINC000029042886 561991752 /nfs/dbraw/zinc/99/17/52/561991752.db2.gz CBHVASQOSBYYRT-DFONIFKESA-N -1 0 683.916 4.714 1 0 KJAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OC[C@@H](O)c3nc(-c4ccccc4)oc3C)cc2)cc1 ZINC000029043196 561991932 /nfs/dbraw/zinc/99/19/32/561991932.db2.gz UACPJKHKQTVBSZ-RUZDIDTESA-N -1 0 532.549 4.857 1 0 KJAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OC[C@H](O)c3nc(-c4ccccc4)oc3C)cc2)cc1 ZINC000029043198 561991884 /nfs/dbraw/zinc/99/18/84/561991884.db2.gz UACPJKHKQTVBSZ-VWLOTQADSA-N -1 0 532.549 4.857 1 0 KJAFRM Cc1oc(-c2ccccc2)nc1[C@@H](O)COc1ccc(CN(CC(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000029043286 561991920 /nfs/dbraw/zinc/99/19/20/561991920.db2.gz GOYNBPQTZHYOBY-DEOSSOPVSA-N -1 0 518.522 4.554 1 0 KJAFRM Cc1oc(-c2ccccc2)nc1[C@H](O)COc1ccc(CN(CC(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000029043288 561991922 /nfs/dbraw/zinc/99/19/22/561991922.db2.gz GOYNBPQTZHYOBY-XMMPIXPASA-N -1 0 518.522 4.554 1 0 KJAFRM O=C([O-])CSc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000029051179 561994349 /nfs/dbraw/zinc/99/43/49/561994349.db2.gz JDZNBTGSUJDVRJ-UHFFFAOYSA-N -1 0 511.650 4.773 1 0 KJAFRM O=C([O-])COc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1Br ZINC000029051363 561994414 /nfs/dbraw/zinc/99/44/14/561994414.db2.gz QLYKQDKAKRSWKF-UHFFFAOYSA-N -1 0 574.478 4.822 1 0 KJAFRM O=C([O-])COc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000029051371 561994389 /nfs/dbraw/zinc/99/43/89/561994389.db2.gz MKTZJSHJMFQBPS-UHFFFAOYSA-N -1 0 530.027 4.713 1 0 KJAFRM O=C([O-])C(F)(F)Oc1cccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000029051581 561994441 /nfs/dbraw/zinc/99/44/41/561994441.db2.gz UNAXSGFKKRJCOU-UHFFFAOYSA-N -1 0 531.562 4.652 1 0 KJAFRM O=C([O-])C(F)(F)Oc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000029051593 561994491 /nfs/dbraw/zinc/99/44/91/561994491.db2.gz SNJFEGZOUKPLNG-UHFFFAOYSA-N -1 0 531.562 4.652 1 0 KJAFRM COc1cc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)ccc1OC(F)(F)C(=O)[O-] ZINC000029051857 561994495 /nfs/dbraw/zinc/99/44/95/561994495.db2.gz AHSUBYYKTGIDOE-UHFFFAOYSA-N -1 0 561.588 4.661 1 0 KJAFRM O=C([O-])C(F)(F)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000029052122 561994598 /nfs/dbraw/zinc/99/45/98/561994598.db2.gz VISDQDVISLKVLY-UHFFFAOYSA-N -1 0 515.563 4.773 1 0 KJAFRM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](N(CC(=O)[O-])S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029125785 561997970 /nfs/dbraw/zinc/99/79/70/561997970.db2.gz WFYUDPRNHZAOBW-HHHXNRCGSA-N -1 0 645.130 4.974 1 0 KJAFRM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H](N(CC(=O)[O-])S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029125786 561997922 /nfs/dbraw/zinc/99/79/22/561997922.db2.gz WFYUDPRNHZAOBW-MHZLTWQESA-N -1 0 645.130 4.974 1 0 KJAFRM COc1ccc(N2C(=O)[C@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)[C@@H]2C(=O)[O-])cc1 ZINC000029126080 561998392 /nfs/dbraw/zinc/99/83/92/561998392.db2.gz WTRWFOXPPRLKFP-XNMGPUDCSA-N -1 0 512.562 4.939 1 0 KJAFRM COc1ccc(N2C(=O)[C@@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)[C@H]2C(=O)[O-])cc1 ZINC000029126081 561998423 /nfs/dbraw/zinc/99/84/23/561998423.db2.gz WTRWFOXPPRLKFP-BDYUSTAISA-N -1 0 512.562 4.939 1 0 KJAFRM COc1ccc(N2C(=O)[C@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@@H]2C(=O)[O-])cc1 ZINC000029126123 561998460 /nfs/dbraw/zinc/99/84/60/561998460.db2.gz DKIUFVFEAUCDLY-XNMGPUDCSA-N -1 0 512.562 4.939 1 0 KJAFRM COc1ccc(N2C(=O)[C@@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@H]2C(=O)[O-])cc1 ZINC000029126212 561998568 /nfs/dbraw/zinc/99/85/68/561998568.db2.gz DKIUFVFEAUCDLY-BDYUSTAISA-N -1 0 512.562 4.939 1 0 in-vitro KJAFRM COc1ccc(N2C(=O)[C@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@H]2C(=O)[O-])cc1 ZINC000029126720 561998899 /nfs/dbraw/zinc/99/88/99/561998899.db2.gz DKIUFVFEAUCDLY-VPUSJEBWSA-N -1 0 512.562 4.939 1 0 KJAFRM COc1ccc(N2C(=O)[C@@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@@H]2C(=O)[O-])cc1 ZINC000029126721 561998910 /nfs/dbraw/zinc/99/89/10/561998910.db2.gz DKIUFVFEAUCDLY-AHKZPQOWSA-N -1 0 512.562 4.939 1 0 KJAFRM Cn1c2cc(S(=O)(=O)CCCN3CCCC3)c([O-])cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000029127503 561999915 /nfs/dbraw/zinc/99/99/15/561999915.db2.gz CAJABNJZFXQFQH-UHFFFAOYSA-N -1 0 552.052 4.501 1 0 KJAFRM Cn1ncc(-n2ncc3ccccc32)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127547 561999982 /nfs/dbraw/zinc/99/99/82/561999982.db2.gz RGCGVSJFGLIPEO-NRFANRHFSA-N -1 0 562.413 4.519 1 0 KJAFRM Cn1ncc(-c2ccsc2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127653 562000111 /nfs/dbraw/zinc/00/01/11/562000111.db2.gz VDAVCTZCHJAJJR-FQEVSTJZSA-N -1 0 528.417 4.908 1 0 KJAFRM Cn1ncc(-c2ccc3c(c2)OCO3)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127654 562000075 /nfs/dbraw/zinc/00/00/75/562000075.db2.gz PSWUVNHTPHGXNB-NRFANRHFSA-N -1 0 566.397 4.576 1 0 KJAFRM COc1ccc(-c2cnn(C)c(=O)c2-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)cc1 ZINC000029127700 562000225 /nfs/dbraw/zinc/00/02/25/562000225.db2.gz NDJMYLPSHMDPKZ-QHCPKHFHSA-N -1 0 552.414 4.855 1 0 KJAFRM Cn1ncc(-c2ccc(F)cc2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127738 562000195 /nfs/dbraw/zinc/00/01/95/562000195.db2.gz YZOVQSYKZPZDRM-QFIPXVFZSA-N -1 0 540.378 4.986 1 0 KJAFRM Cn1ncc(-c2ccccc2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127783 562000219 /nfs/dbraw/zinc/00/02/19/562000219.db2.gz CMHZKJXTYSOXKN-QFIPXVFZSA-N -1 0 522.388 4.847 1 0 KJAFRM CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)NCCC(=O)[O-])Cc2cccc3ccccc32)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000029128266 562000729 /nfs/dbraw/zinc/00/07/29/562000729.db2.gz RSXJNQBLXSPWBC-VCTRWQRLSA-N -1 0 707.622 4.994 1 0 KJAFRM CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)NCCC(=O)[O-])Cc2cccc3ccccc32)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000029128267 562000725 /nfs/dbraw/zinc/00/07/25/562000725.db2.gz RSXJNQBLXSPWBC-CMVGPNDKSA-N -1 0 707.622 4.994 1 0 KJAFRM CCOc1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000029128555 562000945 /nfs/dbraw/zinc/00/09/45/562000945.db2.gz LPFDGODMHWRNHZ-SNVBAGLBSA-N -1 0 508.299 4.982 1 0 KJAFRM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(Br)nc2OC)c1-c1ccccc1 ZINC000029204428 562004902 /nfs/dbraw/zinc/00/49/02/562004902.db2.gz RXJDSCNRKBPJDE-UHFFFAOYSA-N -1 0 533.448 4.636 1 0 KJAFRM COc1nc(Br)cnc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1-c1ccc(CC(C)C)cc1 ZINC000029206445 562005218 /nfs/dbraw/zinc/00/52/18/562005218.db2.gz FPELOIHKLBXDFI-UHFFFAOYSA-N -1 0 547.475 4.616 1 0 KJAFRM CN(Cc1ccccc1)C(=O)[C@H](CC(=O)[O-])NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212640 562006001 /nfs/dbraw/zinc/00/60/01/562006001.db2.gz GCKJLORRSPKGPL-SXOMAYOGSA-N -1 0 659.611 4.673 1 0 KJAFRM CN(Cc1ccccc1)C(=O)[C@H](CC(=O)[O-])NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212646 562006049 /nfs/dbraw/zinc/00/60/49/562006049.db2.gz GCKJLORRSPKGPL-SVBPBHIXSA-N -1 0 659.611 4.673 1 0 KJAFRM CC(C)C[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029212687 562006034 /nfs/dbraw/zinc/00/60/34/562006034.db2.gz WAXKAXQGLYWJIH-FGZHOGPDSA-N -1 0 554.515 4.670 1 0 KJAFRM CC(C)C[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029212692 562006036 /nfs/dbraw/zinc/00/60/36/562006036.db2.gz WAXKAXQGLYWJIH-YADHBBJMSA-N -1 0 554.515 4.670 1 0 KJAFRM CC(C)C[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029212698 562006032 /nfs/dbraw/zinc/00/60/32/562006032.db2.gz WAXKAXQGLYWJIH-FCHUYYIVSA-N -1 0 554.515 4.670 1 0 KJAFRM CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029212703 562006043 /nfs/dbraw/zinc/00/60/43/562006043.db2.gz WAXKAXQGLYWJIH-VXKWHMMOSA-N -1 0 554.515 4.670 1 0 KJAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1 ZINC000029213725 562006160 /nfs/dbraw/zinc/00/61/60/562006160.db2.gz IPMHDUBMOPQXIZ-URLMMPGGSA-N -1 0 685.649 4.989 1 0 KJAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1 ZINC000029213731 562006135 /nfs/dbraw/zinc/00/61/35/562006135.db2.gz IPMHDUBMOPQXIZ-VMPREFPWSA-N -1 0 685.649 4.989 1 0 KJAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214513 562006216 /nfs/dbraw/zinc/00/62/16/562006216.db2.gz BIFUXSNCFINSQX-RPBOFIJWSA-N -1 0 588.532 4.867 1 0 KJAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214518 562006261 /nfs/dbraw/zinc/00/62/61/562006261.db2.gz BIFUXSNCFINSQX-DQEYMECFSA-N -1 0 588.532 4.867 1 0 KJAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc21 ZINC000029214660 562006209 /nfs/dbraw/zinc/00/62/09/562006209.db2.gz BVZIFGVXDOEXHU-SXOMAYOGSA-N -1 0 671.622 4.994 1 0 KJAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc21 ZINC000029214665 562006229 /nfs/dbraw/zinc/00/62/29/562006229.db2.gz BVZIFGVXDOEXHU-SVBPBHIXSA-N -1 0 671.622 4.994 1 0 KJAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1ccccc1 ZINC000029214898 562006412 /nfs/dbraw/zinc/00/64/12/562006412.db2.gz GOPLWRKNGPQCBK-KAYWLYCHSA-N -1 0 659.611 4.721 1 0 KJAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1ccccc1 ZINC000029214903 562006398 /nfs/dbraw/zinc/00/63/98/562006398.db2.gz GOPLWRKNGPQCBK-SXOMAYOGSA-N -1 0 659.611 4.721 1 0 KJAFRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214936 562006394 /nfs/dbraw/zinc/00/63/94/562006394.db2.gz BIFUXSNCFINSQX-JWQCQUIFSA-N -1 0 588.532 4.867 1 0 KJAFRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214941 562006352 /nfs/dbraw/zinc/00/63/52/562006352.db2.gz BIFUXSNCFINSQX-LOSJGSFVSA-N -1 0 588.532 4.867 1 0 KJAFRM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029216060 562006448 /nfs/dbraw/zinc/00/64/48/562006448.db2.gz PIYDYCRLWMMAED-JWQCQUIFSA-N -1 0 604.531 4.573 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029216065 562006475 /nfs/dbraw/zinc/00/64/75/562006475.db2.gz PIYDYCRLWMMAED-RPBOFIJWSA-N -1 0 604.531 4.573 1 0 KJAFRM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029216070 562006482 /nfs/dbraw/zinc/00/64/82/562006482.db2.gz PIYDYCRLWMMAED-LOSJGSFVSA-N -1 0 604.531 4.573 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029216076 562006499 /nfs/dbraw/zinc/00/64/99/562006499.db2.gz PIYDYCRLWMMAED-DQEYMECFSA-N -1 0 604.531 4.573 1 0 KJAFRM CCCC[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029216896 562006659 /nfs/dbraw/zinc/00/66/59/562006659.db2.gz FMTBEYAUNVFWLZ-FGZHOGPDSA-N -1 0 554.515 4.814 1 0 KJAFRM CCCC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029216902 562006629 /nfs/dbraw/zinc/00/66/29/562006629.db2.gz FMTBEYAUNVFWLZ-YADHBBJMSA-N -1 0 554.515 4.814 1 0 KJAFRM CCCC[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029216907 562006606 /nfs/dbraw/zinc/00/66/06/562006606.db2.gz FMTBEYAUNVFWLZ-FCHUYYIVSA-N -1 0 554.515 4.814 1 0 KJAFRM CCCC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029216912 562006603 /nfs/dbraw/zinc/00/66/03/562006603.db2.gz 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[NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-] ZINC000029237315 562009735 /nfs/dbraw/zinc/00/97/35/562009735.db2.gz OBISBDQBCPFOOQ-SDHOMARFSA-N -1 0 548.642 4.555 1 0 KJAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1C[C@H](Sc2ccccc2)C[C@H]1C(=O)[O-] ZINC000029246415 562010735 /nfs/dbraw/zinc/01/07/35/562010735.db2.gz OBISBDQBCPFOOQ-DSITVLBTSA-N -1 0 548.642 4.555 1 0 KJAFRM COc1ccc(Cc2c(=O)c3ccccc3n(Cc3cc4c(cc3Br)OCO4)c2C(=O)[O-])cc1 ZINC000029251962 562011311 /nfs/dbraw/zinc/01/13/11/562011311.db2.gz XFOVWHKIYVPUNX-UHFFFAOYSA-N -1 0 522.351 4.839 1 0 KJAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(C[C@@H](C)C(=O)N(C)C)c1 ZINC000029252212 562011379 /nfs/dbraw/zinc/01/13/79/562011379.db2.gz IDRPGYTWDRQQOE-XCQIGJQCSA-N -1 0 559.663 4.884 1 0 KJAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(C[C@H](C)C(=O)N(C)C)c1 ZINC000029252219 562011373 /nfs/dbraw/zinc/01/13/73/562011373.db2.gz IDRPGYTWDRQQOE-PLKLNDPRSA-N -1 0 559.663 4.884 1 0 KJAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(C[C@@H](C)CO)c1 ZINC000029253543 562011446 /nfs/dbraw/zinc/01/14/46/562011446.db2.gz KBHRSNOQJNLUNL-CHVHSLGASA-N -1 0 518.610 4.788 1 0 KJAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(C[C@H](C)CO)c1 ZINC000029253550 562011544 /nfs/dbraw/zinc/01/15/44/562011544.db2.gz KBHRSNOQJNLUNL-YINIXLNUSA-N -1 0 518.610 4.788 1 0 KJAFRM COC(=O)c1cccc(Cc2c(=O)c3ccccc3n(Cc3cc4c(cc3Cl)OCO4)c2C(=O)[O-])c1 ZINC000029307160 562011728 /nfs/dbraw/zinc/01/17/28/562011728.db2.gz YCNIYXMHOHRRMQ-UHFFFAOYSA-N -1 0 505.910 4.508 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000029308737 562011796 /nfs/dbraw/zinc/01/17/96/562011796.db2.gz LPAHKJMGDSJDRG-PSAOTJSSSA-N -1 0 641.810 4.820 1 0 KJAFRM CCCC[C@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000029308743 562011946 /nfs/dbraw/zinc/01/19/46/562011946.db2.gz LPAHKJMGDSJDRG-CFCLRGSOSA-N -1 0 641.810 4.820 1 0 KJAFRM COc1ccc(Cc2c(=O)c3ccccc3n(Cc3cc4c(c(Br)c3)OCO4)c2C(=O)[O-])cc1 ZINC000029309986 562011927 /nfs/dbraw/zinc/01/19/27/562011927.db2.gz PNFMYMSOHRBFRN-UHFFFAOYSA-N -1 0 522.351 4.839 1 0 KJAFRM CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000029314977 562012379 /nfs/dbraw/zinc/01/23/79/562012379.db2.gz YYDQGTWJPADAKS-SVBPBHIXSA-N -1 0 518.610 4.515 1 0 KJAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(CCCO)c1 ZINC000029315268 562012360 /nfs/dbraw/zinc/01/23/60/562012360.db2.gz XZYQXDCTRBGYKO-GMQQYTKMSA-N -1 0 504.583 4.542 1 0 KJAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(CC(C)(C)O)c1 ZINC000029315886 562012500 /nfs/dbraw/zinc/01/25/00/562012500.db2.gz GJLMSZJTTPBCHM-GMQQYTKMSA-N -1 0 518.610 4.931 1 0 KJAFRM O=C([O-])c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(C(=O)OCc3ccccc3)c2)cc1 ZINC000029316471 562012502 /nfs/dbraw/zinc/01/25/02/562012502.db2.gz IEOWZGRMXDQRNA-SMCANUKXSA-N -1 0 591.616 4.624 1 0 KJAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(CN(C)C(C)=O)c1 ZINC000029316944 562012613 /nfs/dbraw/zinc/01/26/13/562012613.db2.gz DWNNWTCEZHVDLU-HZFUHODCSA-N -1 0 531.609 4.596 1 0 KJAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@@H](CC(C)C)NC(=O)Cc1ccccc1Cl)C(=O)[O-] ZINC000029317266 562012573 /nfs/dbraw/zinc/01/25/73/562012573.db2.gz PJBMRKAUUFKCDS-FCEKVYKBSA-N -1 0 597.156 4.580 1 0 KJAFRM CC1(C)CNc2c(cc(CCC(=O)[O-])cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1 ZINC000029335795 562014349 /nfs/dbraw/zinc/01/43/49/562014349.db2.gz RQWZWLHGJREPLG-DEOSSOPVSA-N -1 0 630.808 4.796 1 0 KJAFRM COc1ccc2c(c1)nc(-c1csc(N)n1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000029338320 562014612 /nfs/dbraw/zinc/01/46/12/562014612.db2.gz HHLVBVPUGUWUNP-VLKCJWKCSA-N -1 0 720.849 4.671 1 0 KJAFRM CCCS(=O)(=O)c1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncc1Cl ZINC000029340042 562015041 /nfs/dbraw/zinc/01/50/41/562015041.db2.gz LSIDNIOTAONRRX-SFHVURJKSA-N -1 0 571.870 4.981 1 0 KJAFRM CCCS(=O)(=O)c1cc(N[C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncc1Cl ZINC000029340045 562015065 /nfs/dbraw/zinc/01/50/65/562015065.db2.gz LSIDNIOTAONRRX-GOSISDBHSA-N -1 0 571.870 4.981 1 0 KJAFRM COc1ccc2c(c1)nc(-n1cccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC3CCCC3)C(=O)N2C1 ZINC000029340084 562014995 /nfs/dbraw/zinc/01/49/95/562014995.db2.gz JUGLNFCWZSQNQM-CUNINWTOSA-N -1 0 699.805 4.900 1 0 KJAFRM COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])nc(Oc2ccccc2)n1 ZINC000029341682 562015362 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O=c1[nH]c2ccc(C(F)(F)F)cc2c(Cc2cc(Cl)ccc2O)c1[N-]S(=O)(=O)C(F)(F)F ZINC000029345597 562016067 /nfs/dbraw/zinc/01/60/67/562016067.db2.gz IGFJTSGNIPPHTD-UHFFFAOYSA-N -1 0 500.804 4.758 1 0 KJAFRM O=c1[nH]c2cc(C(F)(F)F)ccc2c(Cc2cc(Cl)ccc2O)c1[N-]S(=O)(=O)C(F)(F)F ZINC000029345601 562016117 /nfs/dbraw/zinc/01/61/17/562016117.db2.gz OPYDNDOOMCXRLX-UHFFFAOYSA-N -1 0 500.804 4.758 1 0 KJAFRM CCCOc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])nc(OCCC)n1 ZINC000029345761 562016265 /nfs/dbraw/zinc/01/62/65/562016265.db2.gz LHYASJJLJYJNIQ-SFHVURJKSA-N -1 0 549.415 4.511 1 0 KJAFRM CCCS(=O)(=O)c1cccc(N[C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])c1 ZINC000029346276 562016258 /nfs/dbraw/zinc/01/62/58/562016258.db2.gz ONZWWBNTQFHHRY-OAQYLSRUSA-N -1 0 536.437 4.932 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1cc(S(=O)(=O)Cc2ccccc2)ncn1 ZINC000029347516 562016492 /nfs/dbraw/zinc/01/64/92/562016492.db2.gz XHIDXQUNLNIDSI-NRFANRHFSA-N -1 0 586.457 4.512 1 0 KJAFRM COc1cc([C@@H]2Oc3cc(-c4oc5c(CC=C(C)C)c([O-])cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347951 562016654 /nfs/dbraw/zinc/01/66/54/562016654.db2.gz ORHIRULLMOEZSI-YWEHKCAJSA-N -1 0 548.544 4.673 1 0 KJAFRM COc1cc([C@H]2Oc3cc(-c4oc5c(CC=C(C)C)c([O-])cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347954 562016592 /nfs/dbraw/zinc/01/65/92/562016592.db2.gz ORHIRULLMOEZSI-UFHPHHKVSA-N -1 0 548.544 4.673 1 0 KJAFRM COc1cc([C@@H]2Oc3cc(-c4oc5c(CC=C(C)C)c([O-])cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000029347957 562016665 /nfs/dbraw/zinc/01/66/65/562016665.db2.gz ORHIRULLMOEZSI-CUBQBAPOSA-N -1 0 548.544 4.673 1 0 KJAFRM COc1cc([C@H]2Oc3cc(-c4oc5c(CC=C(C)C)c([O-])cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000029347962 562016583 /nfs/dbraw/zinc/01/65/83/562016583.db2.gz ORHIRULLMOEZSI-RBJSKKJNSA-N -1 0 548.544 4.673 1 0 KJAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])c(CC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347966 562016659 /nfs/dbraw/zinc/01/66/59/562016659.db2.gz ABFAWGKLNUGEDB-GIGWZHCTSA-N -1 0 548.544 4.673 1 0 KJAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])c(CC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347970 562016648 /nfs/dbraw/zinc/01/66/48/562016648.db2.gz ABFAWGKLNUGEDB-FUFSCUOVSA-N -1 0 548.544 4.673 1 0 KJAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])c(CC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000029347974 562016600 /nfs/dbraw/zinc/01/66/00/562016600.db2.gz ABFAWGKLNUGEDB-OUTSHDOLSA-N -1 0 548.544 4.673 1 0 KJAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])c(CC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000029347978 562016608 /nfs/dbraw/zinc/01/66/08/562016608.db2.gz ABFAWGKLNUGEDB-PWUYWRBVSA-N -1 0 548.544 4.673 1 0 KJAFRM COc1ccc2c(c1)nc(-n1cccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000029388433 562016712 /nfs/dbraw/zinc/01/67/12/562016712.db2.gz SQUHAORDUSFHFZ-KDKIYWRNSA-N -1 0 687.794 4.756 1 0 KJAFRM CC(C)(C)Oc1cccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])c1 ZINC000029388652 562016888 /nfs/dbraw/zinc/01/68/88/562016888.db2.gz HJWCBRDYEUTPNN-OFVILXPXSA-N -1 0 557.496 4.526 1 0 KJAFRM [NH3+]Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)[P@](=O)([O-])CC2(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])CCCC2)cc1 ZINC000029392626 562017770 /nfs/dbraw/zinc/01/77/70/562017770.db2.gz DCRZBDFISGBXTF-XZWHSSHBSA-N -1 0 630.682 4.568 1 0 KJAFRM CO[C@@H]1[C@H](OC(=O)c2ccc(C)s2)[C@@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C ZINC000029393235 562017943 /nfs/dbraw/zinc/01/79/43/562017943.db2.gz DZWKPTWODIOAOT-YOUOVVPYSA-N -1 0 609.653 4.544 1 0 KJAFRM CC(C)(C)Oc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000029393459 562018027 /nfs/dbraw/zinc/01/80/27/562018027.db2.gz CSMQOKNTHTXJFG-OFVILXPXSA-N -1 0 557.496 4.526 1 0 KJAFRM Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2C(=O)[O-])n1 ZINC000029394283 562018198 /nfs/dbraw/zinc/01/81/98/562018198.db2.gz WQMSBANVKKNMEF-UHFFFAOYSA-N -1 0 526.574 4.599 1 0 KJAFRM O=C([O-])[C@H](CCCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000029395858 562018496 /nfs/dbraw/zinc/01/84/96/562018496.db2.gz UAFDRTNAZWZUDR-DEOSSOPVSA-N -1 0 575.481 4.944 1 0 KJAFRM O=C([O-])[C@H](CCCCNC(=O)CCc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000029396797 562018774 /nfs/dbraw/zinc/01/87/74/562018774.db2.gz NZVNFHULUBKMQI-VWLOTQADSA-N -1 0 573.509 4.767 1 0 KJAFRM CN(C(=O)Oc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1)c1ccccc1 ZINC000029397022 562018836 /nfs/dbraw/zinc/01/88/36/562018836.db2.gz LAVKEKZSIBZMRJ-SVEHJYQDSA-N -1 0 634.538 4.984 1 0 KJAFRM CC(C)N(C(=O)Oc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1)C(C)C ZINC000029397027 562018857 /nfs/dbraw/zinc/01/88/57/562018857.db2.gz XMJDMDBLEIGQSK-CUBQBAPOSA-N -1 0 628.575 4.966 1 0 KJAFRM O=C([O-])[C@H](Cn1cc(CCc2ccccc2)c(N2CCC(CNc3nc4ccccc4[nH]3)CC2)nc1=O)NC(=O)OCc1ccccc1 ZINC000029406972 562020802 /nfs/dbraw/zinc/02/08/02/562020802.db2.gz FQTMTTZENZSMQU-HKBQPEDESA-N -1 0 649.752 4.613 1 0 KJAFRM CCCCc1nc2ccc([C@]3(C(=O)[O-])C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000029408362 562021234 /nfs/dbraw/zinc/02/12/34/562021234.db2.gz GXXPCSPJFNSFDW-IANOAQMISA-N -1 0 591.672 4.714 1 0 KJAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)NCCCCCCCC(=O)[O-] ZINC000029408548 562021169 /nfs/dbraw/zinc/02/11/69/562021169.db2.gz JDZSLDFGOUFIOX-IEWVHIKDSA-N -1 0 567.727 4.781 1 0 KJAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCC(=O)[O-] ZINC000029408551 562021248 /nfs/dbraw/zinc/02/12/48/562021248.db2.gz JDZSLDFGOUFIOX-XYFQYJLHSA-N -1 0 567.727 4.781 1 0 KJAFRM Cc1cn(C[C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c(=O)nc1NCc1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000029411839 562021904 /nfs/dbraw/zinc/02/19/04/562021904.db2.gz ZXDVEZABHVSYIR-HHHXNRCGSA-N -1 0 599.644 4.682 1 0 KJAFRM CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)[O-] ZINC000029411876 562021962 /nfs/dbraw/zinc/02/19/62/562021962.db2.gz RVNFMNWRMLSWER-IEWVHIKDSA-N -1 0 567.727 4.781 1 0 KJAFRM CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)[O-] ZINC000029411880 562021937 /nfs/dbraw/zinc/02/19/37/562021937.db2.gz RVNFMNWRMLSWER-DICHSLLOSA-N -1 0 567.727 4.781 1 0 KJAFRM CCCCc1ncc(C(=O)[O-])n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2C(=O)OC)cc1 ZINC000029412355 562022083 /nfs/dbraw/zinc/02/20/83/562022083.db2.gz HHJGMYHIEKPIRE-VWLOTQADSA-N -1 0 528.609 4.983 1 0 KJAFRM CCCc1c(O)c(C(C)=O)ccc1OCCOCCOCCOc1c(C(C)=O)ccc(OCC(=O)[O-])c1CCC ZINC000029464810 562023951 /nfs/dbraw/zinc/02/39/51/562023951.db2.gz KAVRSIJMFXLBLV-UHFFFAOYSA-N -1 0 560.640 4.657 1 0 KJAFRM CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(OCC(=O)[O-])cc2C(=O)N2CCc3ccccc3C2)n1 ZINC000029465183 562024165 /nfs/dbraw/zinc/02/41/65/562024165.db2.gz WWVRGDMGTBVQEM-UHFFFAOYSA-N -1 0 546.668 4.885 1 0 KJAFRM CCCc1c(O)c(C(C)=O)ccc1OCCOCCOCCOCCOc1c(C(C)=O)ccc(OCC(=O)[O-])c1CCC ZINC000029468874 562025095 /nfs/dbraw/zinc/02/50/95/562025095.db2.gz ZPROQHBIARFCPE-UHFFFAOYSA-N -1 0 604.693 4.673 1 0 KJAFRM Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)N=C2c1ccccc1F ZINC000029472699 562025806 /nfs/dbraw/zinc/02/58/06/562025806.db2.gz XMPJUBVBMBXTLP-WIYCPNCKSA-N -1 0 611.674 4.813 1 0 KJAFRM Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)N=C2c1ccccc1F ZINC000029472716 562025823 /nfs/dbraw/zinc/02/58/23/562025823.db2.gz XMPJUBVBMBXTLP-YSBILVTJSA-N -1 0 611.674 4.813 1 0 KJAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000029474386 562026198 /nfs/dbraw/zinc/02/61/98/562026198.db2.gz SKOXHEZNXXKBOY-UHFFFAOYSA-N -1 0 562.648 4.783 1 0 KJAFRM CCCc1c(O)c(C(C)=O)ccc1OCCOCCOc1c(C(C)=O)ccc(OCC(=O)[O-])c1CCC ZINC000029474978 562026266 /nfs/dbraw/zinc/02/62/66/562026266.db2.gz WYXYQZDZCYKRKJ-UHFFFAOYSA-N -1 0 516.587 4.640 1 0 KJAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12 ZINC000029476478 562026545 /nfs/dbraw/zinc/02/65/45/562026545.db2.gz YKMWIMZJXXSOMR-UHFFFAOYSA-N -1 0 560.676 4.961 1 0 KJAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)ccc1Cc1nn(C)c2ccc(NC(=O)NC3CCC3)cc12 ZINC000029479456 562026984 /nfs/dbraw/zinc/02/69/84/562026984.db2.gz YSEIYPQSNRDRHK-UHFFFAOYSA-N -1 0 582.082 4.619 1 0 KJAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc(CCOP(=O)([O-])[O-])cc(Br)c3O)c(Cc3ccccc3)c2c1 ZINC000029482857 562027645 /nfs/dbraw/zinc/02/76/45/562027645.db2.gz ICGQEIJGXOAEKE-UHFFFAOYSA-N -1 0 544.342 4.830 1 0 KJAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@H](c2nnn[n-]2)O3)ccc(C(C)=O)c1O ZINC000029485211 562028148 /nfs/dbraw/zinc/02/81/48/562028148.db2.gz DCVYHNJBDHAQJR-XMMPIXPASA-N -1 0 522.602 4.957 1 0 KJAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@H](c2nnn[n-]2)O3)ccc(C(C)=O)c1O ZINC000029485214 562028102 /nfs/dbraw/zinc/02/81/02/562028102.db2.gz DCVYHNJBDHAQJR-DEOSSOPVSA-N -1 0 522.602 4.957 1 0 KJAFRM COc1cccc(Sc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)noc2CCCC(N)=O)c1 ZINC000029488029 562028725 /nfs/dbraw/zinc/02/87/25/562028725.db2.gz XZWFPDACVQIRFT-UHFFFAOYSA-N -1 0 503.646 4.741 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000029488060 562028717 /nfs/dbraw/zinc/02/87/17/562028717.db2.gz AXQTVYXHMODLGF-APPDVHRBSA-N -1 0 538.688 4.918 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000029488062 562028694 /nfs/dbraw/zinc/02/86/94/562028694.db2.gz AXQTVYXHMODLGF-SXEPBFTNSA-N -1 0 538.688 4.918 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000029488064 562028810 /nfs/dbraw/zinc/02/88/10/562028810.db2.gz AXQTVYXHMODLGF-QCBLMPQGSA-N -1 0 538.688 4.918 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000029488067 562028798 /nfs/dbraw/zinc/02/87/98/562028798.db2.gz AXQTVYXHMODLGF-ZLUYDXCNSA-N -1 0 538.688 4.918 1 0 KJAFRM Cc1oc(-c2ccc3ccccc3c2)nc1CCS(=O)(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029489696 562029213 /nfs/dbraw/zinc/02/92/13/562029213.db2.gz CLAFREQRJLTFQQ-QHCPKHFHSA-N -1 0 506.605 4.714 1 0 KJAFRM Cc1oc(-c2ccc3ccccc3c2)nc1CCS(=O)(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029489699 562029237 /nfs/dbraw/zinc/02/92/37/562029237.db2.gz CLAFREQRJLTFQQ-HSZRJFAPSA-N -1 0 506.605 4.714 1 0 KJAFRM COc1ccnc(Cl)c1C(=O)Nc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000029544444 562029382 /nfs/dbraw/zinc/02/93/82/562029382.db2.gz KANJDBFQNBEJPS-KMRXNPHXSA-N -1 0 669.971 4.658 1 0 KJAFRM Cc1oc(-c2ccccc2)nc1CN(c1ccccc1)S(=O)(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029547280 562030262 /nfs/dbraw/zinc/03/02/62/562030262.db2.gz NKWJNXHYYWBBFZ-DEOSSOPVSA-N -1 0 533.631 4.940 1 0 KJAFRM Cc1oc(-c2ccccc2)nc1CN(c1ccccc1)S(=O)(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029547287 562030230 /nfs/dbraw/zinc/03/02/30/562030230.db2.gz NKWJNXHYYWBBFZ-XMMPIXPASA-N -1 0 533.631 4.940 1 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XFBIMMMYECLJSH-QHCPKHFHSA-N -1 0 514.571 4.862 1 0 KJAFRM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C[C@@H]2c1ccccc1 ZINC000029558470 562032554 /nfs/dbraw/zinc/03/25/54/562032554.db2.gz BFSMHEBYNOKMKU-JWQCQUIFSA-N -1 0 542.636 4.667 1 0 KJAFRM COc1ccc(-c2c3c(c(=O)oc4cc(OS(=O)(=O)[O-])c(OC)cc34)n3c2-c2cc(OC)c(OC)cc2CC3)cc1O ZINC000029558776 562032613 /nfs/dbraw/zinc/03/26/13/562032613.db2.gz WUCANDKWZKICHI-UHFFFAOYSA-N -1 0 595.582 4.559 1 0 KJAFRM COCCOC(=O)N(Cc1ccccc1)[C@@H]1CCC[C@@H]([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1 ZINC000029570977 562035693 /nfs/dbraw/zinc/03/56/93/562035693.db2.gz YHTDLXCRQOJRHH-YCVRVPNXSA-N -1 0 610.729 4.938 1 0 KJAFRM COCCOC(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H]([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1 ZINC000029570981 562035695 /nfs/dbraw/zinc/03/56/95/562035695.db2.gz YHTDLXCRQOJRHH-PVTPYKNESA-N -1 0 610.729 4.938 1 0 KJAFRM O=C([O-])CCC(=O)N[C@@H](CNC(=O)[C@@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000029571640 562035713 /nfs/dbraw/zinc/03/57/13/562035713.db2.gz HZQQQTSACREZAU-GLMMTYRXSA-N -1 0 618.706 4.608 1 0 KJAFRM O=C([O-])CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000029571643 562035682 /nfs/dbraw/zinc/03/56/82/562035682.db2.gz HZQQQTSACREZAU-PTHVJRLKSA-N -1 0 618.706 4.608 1 0 KJAFRM C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)[O-] ZINC000033831377 562037680 /nfs/dbraw/zinc/03/76/80/562037680.db2.gz YPYHGMCHNBTMDB-KUSOZJCOSA-N -1 0 502.692 4.953 1 0 KJAFRM C[C@H](CC(=O)C[C@H](C)C(=O)[O-])[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000033831379 562037743 /nfs/dbraw/zinc/03/77/43/562037743.db2.gz YPYHGMCHNBTMDB-KZRBGCNOSA-N -1 0 502.692 4.953 1 0 KJAFRM C[C@H](CC(=O)C[C@H](C)C(=O)[O-])[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000034177742 562038385 /nfs/dbraw/zinc/03/83/85/562038385.db2.gz VBGDQDJVTLQGNO-HPRXJFIXSA-N -1 0 512.643 4.548 1 0 KJAFRM CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(-c2c(=O)n(C)c(C)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000034251306 562038501 /nfs/dbraw/zinc/03/85/01/562038501.db2.gz CBPNUSPLCWQDTD-NRFANRHFSA-N -1 0 500.517 4.676 1 0 KJAFRM CCCN(CC)c1ncc(-c2ccccc2C)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])n1 ZINC000034365319 562038880 /nfs/dbraw/zinc/03/88/80/562038880.db2.gz GERYTDGNULKRJC-DEOSSOPVSA-N -1 0 505.619 4.857 1 0 KJAFRM C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2ccccc2)c1 ZINC000034495669 562039004 /nfs/dbraw/zinc/03/90/04/562039004.db2.gz AYDMMERSOASIQO-FQEVSTJZSA-N -1 0 521.683 4.706 1 0 KJAFRM C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2ccccc2)c1 ZINC000034495670 562039015 /nfs/dbraw/zinc/03/90/15/562039015.db2.gz 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ZINC000034883648 562043927 /nfs/dbraw/zinc/04/39/27/562043927.db2.gz ZZQVVTQOTXKPIG-BVZFJXPGSA-N -1 0 520.413 4.939 1 0 KJAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC000034948423 562044020 /nfs/dbraw/zinc/04/40/20/562044020.db2.gz BWKMNDMWKXZHHO-UHFFFAOYSA-N -1 0 518.950 4.580 1 0 KJAFRM COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC000034948762 562044152 /nfs/dbraw/zinc/04/41/52/562044152.db2.gz WFZHOHMAJOKBNB-CYBMUJFWSA-N -1 0 518.950 4.751 1 0 KJAFRM COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC000034948764 562044126 /nfs/dbraw/zinc/04/41/26/562044126.db2.gz WFZHOHMAJOKBNB-ZDUSSCGKSA-N -1 0 518.950 4.751 1 0 KJAFRM COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000034948766 562044158 /nfs/dbraw/zinc/04/41/58/562044158.db2.gz DXSQSQNMVPUGHR-CQSZACIVSA-N -1 0 500.960 4.612 1 0 KJAFRM COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000034948768 562044142 /nfs/dbraw/zinc/04/41/42/562044142.db2.gz DXSQSQNMVPUGHR-AWEZNQCLSA-N -1 0 500.960 4.612 1 0 KJAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCCCc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000034948940 562044174 /nfs/dbraw/zinc/04/41/74/562044174.db2.gz RQULOZSFVZYFGB-UHFFFAOYSA-N -1 0 514.987 4.831 1 0 KJAFRM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC3)cc1F ZINC000034949820 562044177 /nfs/dbraw/zinc/04/41/77/562044177.db2.gz CGIWLRCLCBSJIX-UHFFFAOYSA-N -1 0 508.449 4.546 1 0 KJAFRM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1F ZINC000034949825 562044155 /nfs/dbraw/zinc/04/41/55/562044155.db2.gz IOUWXGTYXJUJRE-UHFFFAOYSA-N -1 0 509.342 4.834 1 0 KJAFRM O=C(NCc1ccc(F)cc1)c1c([O-])c2nc(Cc3ccc(F)cc3)sc2n(-c2ccccc2)c1=O ZINC000035010343 562044401 /nfs/dbraw/zinc/04/44/01/562044401.db2.gz WEILNJKXWSTZCU-UHFFFAOYSA-N -1 0 503.530 4.952 1 0 KJAFRM CCOC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000035090737 562044707 /nfs/dbraw/zinc/04/47/07/562044707.db2.gz JEVUFRSXVGVJII-GFCCVEGCSA-N -1 0 500.876 4.711 1 0 KJAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc4c(c3)CCCC4=O)cc2)cc1)C(=O)[O-] ZINC000035836033 562045534 /nfs/dbraw/zinc/04/55/34/562045534.db2.gz OJALZWLVBUFAQK-HHHXNRCGSA-N -1 0 507.608 4.839 1 0 KJAFRM Cc1cccc2[nH]c([C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000036088508 562046299 /nfs/dbraw/zinc/04/62/99/562046299.db2.gz YHIQSBMZCOOPDV-IZLXSDGUSA-N -1 0 600.722 4.691 1 0 KJAFRM Cc1cccc2[nH]c([C@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000036088514 562046334 /nfs/dbraw/zinc/04/63/34/562046334.db2.gz YHIQSBMZCOOPDV-NSOVKSMOSA-N -1 0 600.722 4.691 1 0 KJAFRM Cc1cccc2[nH]c([C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000036088517 562046308 /nfs/dbraw/zinc/04/63/08/562046308.db2.gz YHIQSBMZCOOPDV-VSGBNLITSA-N -1 0 600.722 4.691 1 0 KJAFRM Cc1cccc2[nH]c([C@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000036088520 562046273 /nfs/dbraw/zinc/04/62/73/562046273.db2.gz YHIQSBMZCOOPDV-WUFINQPMSA-N -1 0 600.722 4.691 1 0 KJAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088573 562046380 /nfs/dbraw/zinc/04/63/80/562046380.db2.gz PHSOEODFQHNVCE-NSOVKSMOSA-N -1 0 604.685 4.522 1 0 KJAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088576 562046451 /nfs/dbraw/zinc/04/64/51/562046451.db2.gz PHSOEODFQHNVCE-IZLXSDGUSA-N -1 0 604.685 4.522 1 0 KJAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088580 562046392 /nfs/dbraw/zinc/04/63/92/562046392.db2.gz PHSOEODFQHNVCE-WUFINQPMSA-N -1 0 604.685 4.522 1 0 KJAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088583 562046400 /nfs/dbraw/zinc/04/64/00/562046400.db2.gz PHSOEODFQHNVCE-VSGBNLITSA-N -1 0 604.685 4.522 1 0 KJAFRM Cc1ccc2[nH]c([C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036088642 562046442 /nfs/dbraw/zinc/04/64/42/562046442.db2.gz WBFSLPGSZYZBQC-WDYNHAJCSA-N -1 0 600.722 4.691 1 0 KJAFRM Cc1ccc2[nH]c([C@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036088646 562046373 /nfs/dbraw/zinc/04/63/73/562046373.db2.gz WBFSLPGSZYZBQC-VMPREFPWSA-N -1 0 600.722 4.691 1 0 KJAFRM Cc1ccc2[nH]c([C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036088649 562046405 /nfs/dbraw/zinc/04/64/05/562046405.db2.gz WBFSLPGSZYZBQC-FQLXRVMXSA-N -1 0 600.722 4.691 1 0 KJAFRM Cc1ccc2[nH]c([C@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036088652 562046396 /nfs/dbraw/zinc/04/63/96/562046396.db2.gz WBFSLPGSZYZBQC-URLMMPGGSA-N -1 0 600.722 4.691 1 0 KJAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCC[C@H](N(Cc4ccccc4)C(C)=O)C3)cc2)cc1 ZINC000036089040 562046753 /nfs/dbraw/zinc/04/67/53/562046753.db2.gz CYDOQDKDFWIELG-ZEZDXWPOSA-N -1 0 550.677 4.701 1 0 KJAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCC[C@H](N(Cc4ccccc4)C(C)=O)C3)cc2)cc1 ZINC000036089043 562046776 /nfs/dbraw/zinc/04/67/76/562046776.db2.gz CYDOQDKDFWIELG-ALTZYDRJSA-N -1 0 550.677 4.701 1 0 KJAFRM O=C([O-])c1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)CC1 ZINC000036177838 562049587 /nfs/dbraw/zinc/04/95/87/562049587.db2.gz QJDCOSVSBQCDSL-SANMLTNESA-N -1 0 620.588 4.559 1 0 KJAFRM O=C([O-])C1CCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2O)CC1 ZINC000036184882 562050481 /nfs/dbraw/zinc/05/04/81/562050481.db2.gz CLFOIXVUUDBDGI-UHFFFAOYSA-N -1 0 535.445 4.838 1 0 KJAFRM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2O)C1 ZINC000036184894 562050510 /nfs/dbraw/zinc/05/05/10/562050510.db2.gz JGPQILYBQYCIDX-LBPRGKRZSA-N -1 0 535.445 4.838 1 0 KJAFRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2O)C1 ZINC000036184895 562050504 /nfs/dbraw/zinc/05/05/04/562050504.db2.gz JGPQILYBQYCIDX-GFCCVEGCSA-N -1 0 535.445 4.838 1 0 KJAFRM CN(C)S(=O)(=O)c1cc2c3c(n(Cc4ccc(Cl)cc4)c2c(Br)c1)[C@H](CC(=O)[O-])CC3 ZINC000036190286 562051154 /nfs/dbraw/zinc/05/11/54/562051154.db2.gz BRGRVTXBZSDTQZ-AWEZNQCLSA-N -1 0 525.852 4.860 1 0 KJAFRM CN(C)S(=O)(=O)c1cc2c3c(n(Cc4ccc(Cl)cc4)c2c(Br)c1)[C@@H](CC(=O)[O-])CC3 ZINC000036190288 562051114 /nfs/dbraw/zinc/05/11/14/562051114.db2.gz BRGRVTXBZSDTQZ-CQSZACIVSA-N -1 0 525.852 4.860 1 0 KJAFRM CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000036238168 562051870 /nfs/dbraw/zinc/05/18/70/562051870.db2.gz HXVNENCEVFFGED-UHFFFAOYSA-N -1 0 535.670 4.879 1 0 KJAFRM CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000036238181 562051886 /nfs/dbraw/zinc/05/18/86/562051886.db2.gz XYHBLDIJAJYURE-UHFFFAOYSA-N -1 0 528.034 4.709 1 0 KJAFRM O=C([O-])C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(Cc2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000036269221 562052910 /nfs/dbraw/zinc/05/29/10/562052910.db2.gz KRAZOLZZRSRPAE-DEOSSOPVSA-N -1 0 540.620 4.836 1 0 KJAFRM O=C([O-])C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(Cc2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000036269226 562052901 /nfs/dbraw/zinc/05/29/01/562052901.db2.gz KRAZOLZZRSRPAE-XMMPIXPASA-N -1 0 540.620 4.836 1 0 KJAFRM O=C([O-])CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC3(CC2)OCCO3)cc1 ZINC000036351391 562058212 /nfs/dbraw/zinc/05/82/12/562058212.db2.gz KJNAPBPPSXNLBM-UHFFFAOYSA-N -1 0 565.545 4.510 1 0 KJAFRM CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(CS(=O)(=O)[O-])c2)[C@H]1O ZINC000036351473 562058310 /nfs/dbraw/zinc/05/83/10/562058310.db2.gz DHKPBXHYPPABJO-CLJLJLNGSA-N -1 0 537.744 4.787 1 0 KJAFRM CC(C)(C)NS(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2-c2ccc(F)cc2)c1 ZINC000038142044 562063381 /nfs/dbraw/zinc/06/33/81/562063381.db2.gz XKBNRTRFAVFQAK-UHFFFAOYSA-N -1 0 583.667 4.579 1 0 KJAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc4c(c3)CCCC4=O)cc2)cc1F)C(=O)[O-] ZINC000038246660 562070627 /nfs/dbraw/zinc/07/06/27/562070627.db2.gz OGCHDILORAUKBD-HHHXNRCGSA-N -1 0 525.598 4.978 1 0 KJAFRM CNC(=O)CN1c2ccc(I)cc2C(=O)N([C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1=O ZINC000038377649 562071649 /nfs/dbraw/zinc/07/16/49/562071649.db2.gz IRUUIIXRURRPCS-PKTZIBPZSA-N -1 0 652.272 4.700 1 0 KJAFRM CNC(=O)CN1c2ccc(I)cc2C(=O)N([C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000038377650 562071648 /nfs/dbraw/zinc/07/16/48/562071648.db2.gz IRUUIIXRURRPCS-GOTSBHOMSA-N -1 0 652.272 4.700 1 0 KJAFRM CNC(=O)CN1c2ccc(I)cc2C(=O)N([C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1=O ZINC000038377651 562071626 /nfs/dbraw/zinc/07/16/26/562071626.db2.gz IRUUIIXRURRPCS-DHIUTWEWSA-N -1 0 652.272 4.700 1 0 KJAFRM CNC(=O)CN1c2ccc(I)cc2C(=O)N([C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000038377652 562071653 /nfs/dbraw/zinc/07/16/53/562071653.db2.gz IRUUIIXRURRPCS-XZOQPEGZSA-N -1 0 652.272 4.700 1 0 KJAFRM Cc1ccccc1-c1cnc(N(C)CC(C)C)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)[O-] ZINC000038405269 562071871 /nfs/dbraw/zinc/07/18/71/562071871.db2.gz QWYIHLODVGFLLG-DEOSSOPVSA-N -1 0 505.619 4.712 1 0 KJAFRM Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(-c2c(=O)n(C)c(C)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000038405476 562071834 /nfs/dbraw/zinc/07/18/34/562071834.db2.gz APVDSPBBKYMHQH-IBGZPJMESA-N -1 0 506.908 4.767 1 0 KJAFRM CS(=O)(=O)NCCc1ccc(NC(=O)c2ccc([O-])c3nc(-c4ccc(Cl)cc4Cl)[nH]c32)cc1 ZINC000038433279 562071888 /nfs/dbraw/zinc/07/18/88/562071888.db2.gz NFDYSISVOLLZEU-UHFFFAOYSA-N -1 0 519.410 4.586 1 0 KJAFRM Cc1ccccc1-c1cnc(N(C)C2CCC2)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)[O-] ZINC000038456199 562071977 /nfs/dbraw/zinc/07/19/77/562071977.db2.gz ZWANWXPMQCAYED-DEOSSOPVSA-N -1 0 503.603 4.609 1 0 KJAFRM COc1cc(C(=O)n2c(C)c(CC(=O)[O-])c3ccccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 ZINC000038474174 562072034 /nfs/dbraw/zinc/07/20/34/562072034.db2.gz MBVBYVCSLLQMCH-FQEVSTJZSA-N -1 0 500.551 4.550 1 0 KJAFRM Cc1c(CC(=O)[O-])c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1C ZINC000038474302 562071968 /nfs/dbraw/zinc/07/19/68/562071968.db2.gz NWROVNNECRYPKB-NRFANRHFSA-N -1 0 502.542 4.989 1 0 KJAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC23CCCCC3)cc1 ZINC000038806288 562072371 /nfs/dbraw/zinc/07/23/71/562072371.db2.gz BVOOTXWHMUYSDV-UHFFFAOYSA-N -1 0 521.433 4.887 1 0 KJAFRM O=C([O-])[C@@H]1C[C@H]1c1ccc(-c2cccc(-n3cc(C(=O)NCC(F)(F)F)c(=O)c4cccnc43)c2)cc1 ZINC000038853301 562072468 /nfs/dbraw/zinc/07/24/68/562072468.db2.gz XNCDYFQUBJDZGN-LEWJYISDSA-N -1 0 507.468 4.533 1 0 KJAFRM C/C(=C\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)[O-] ZINC000039110570 562072789 /nfs/dbraw/zinc/07/27/89/562072789.db2.gz NJZMSAAKSXZIEC-UQOIKQOMSA-N -1 0 500.676 4.873 1 0 KJAFRM CCC[C@H](NC(=O)c1cc(-c2c(OC)cccc2OC)n(-c2ccnc3cc(Cl)ccc32)n1)C(=O)[O-] ZINC000040394018 562074086 /nfs/dbraw/zinc/07/40/86/562074086.db2.gz HWVGXJXOLYHKIN-KRWDZBQOSA-N -1 0 508.962 4.741 1 0 KJAFRM Cc1c2ccccc2oc1CC(=O)Oc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)cc1 ZINC000040395269 562074452 /nfs/dbraw/zinc/07/44/52/562074452.db2.gz AVLQPPUAZJWBLM-HHHXNRCGSA-N -1 0 521.591 4.944 1 0 KJAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Oc3ccc(F)cc3)cc12)C(=O)[O-] ZINC000040423125 562076148 /nfs/dbraw/zinc/07/61/48/562076148.db2.gz JFCGISGLHXBESS-QFIPXVFZSA-N -1 0 500.504 4.724 1 0 KJAFRM Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)[O-])CCCC3)cc2)c1 ZINC000040505594 562077674 /nfs/dbraw/zinc/07/76/74/562077674.db2.gz ODHBWGMCTDGNLX-HHHXNRCGSA-N -1 0 530.621 4.694 1 0 KJAFRM O=C([O-])c1cc(F)c(F)cc1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000040576925 562078266 /nfs/dbraw/zinc/07/82/66/562078266.db2.gz IDQKZPWBLJBXCY-UHFFFAOYSA-N -1 0 500.401 4.735 1 0 KJAFRM C[C@@H]1Cn2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(Cc5ccccc5C(F)(F)F)CC4)c(c32)S1 ZINC000040701385 562079053 /nfs/dbraw/zinc/07/90/53/562079053.db2.gz UMJBSWHLTZNSPA-CQSZACIVSA-N -1 0 521.536 4.674 1 0 KJAFRM C[C@H]1Cn2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(Cc5ccccc5C(F)(F)F)CC4)c(c32)S1 ZINC000040701387 562079081 /nfs/dbraw/zinc/07/90/81/562079081.db2.gz UMJBSWHLTZNSPA-AWEZNQCLSA-N -1 0 521.536 4.674 1 0 KJAFRM Cn1c(C(=O)n2[n-]c(=O)c3cc(Br)ccc32)cc2cccc(S(=O)(=O)c3ccccc3)c21 ZINC000040835595 562080115 /nfs/dbraw/zinc/08/01/15/562080115.db2.gz JEDNMJISUZLCOF-UHFFFAOYSA-N -1 0 510.369 4.517 1 0 KJAFRM COc1ccc(/C=C/COC(=O)C2=C(C(OC)OC)NC(C)=C(C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000040836009 562080167 /nfs/dbraw/zinc/08/01/67/562080167.db2.gz KGJLBCJGYLHPEV-WMWRJIBUSA-N -1 0 513.974 4.524 1 0 KJAFRM COc1ccc(/C=C/COC(=O)C2=C(C(OC)OC)NC(C)=C(C(=O)[O-])[C@H]2c2cccc(Cl)c2)cc1 ZINC000040836011 562080165 /nfs/dbraw/zinc/08/01/65/562080165.db2.gz KGJLBCJGYLHPEV-XYXUZSOXSA-N -1 0 513.974 4.524 1 0 KJAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040836490 562080169 /nfs/dbraw/zinc/08/01/69/562080169.db2.gz OWYKGAZERKKVPX-LYSGITKLSA-N -1 0 501.938 4.654 1 0 KJAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccc(F)cc2)[C@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040836492 562080144 /nfs/dbraw/zinc/08/01/44/562080144.db2.gz OWYKGAZERKKVPX-YAQIIAKESA-N -1 0 501.938 4.654 1 0 KJAFRM COc1ccccc1/C=C/COC(=O)C1=C(C(OC)OC)NC(C)=C(C(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000040846121 562080291 /nfs/dbraw/zinc/08/02/91/562080291.db2.gz BQYVCCIKKHDNQU-NJTIBFSMSA-N -1 0 513.974 4.524 1 0 KJAFRM COc1ccccc1/C=C/COC(=O)C1=C(C(OC)OC)NC(C)=C(C(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000040846123 562080308 /nfs/dbraw/zinc/08/03/08/562080308.db2.gz BQYVCCIKKHDNQU-YVWYTEFXSA-N -1 0 513.974 4.524 1 0 KJAFRM COc1cccc(/C=C/COC(=O)C2=C(C(OC)OC)NC(C)=C(C(=O)[O-])[C@@H]2c2cccc(Cl)c2)c1 ZINC000040846315 562080323 /nfs/dbraw/zinc/08/03/23/562080323.db2.gz HGKQKQRZZFNIKN-GLJAUCNMSA-N -1 0 513.974 4.524 1 0 KJAFRM COc1cccc(/C=C/COC(=O)C2=C(C(OC)OC)NC(C)=C(C(=O)[O-])[C@H]2c2cccc(Cl)c2)c1 ZINC000040846317 562080293 /nfs/dbraw/zinc/08/02/93/562080293.db2.gz HGKQKQRZZFNIKN-FGBWHXJSSA-N -1 0 513.974 4.524 1 0 KJAFRM COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)nn1-c1ccnc2cc(Cl)ccc21 ZINC000040861584 562080764 /nfs/dbraw/zinc/08/07/64/562080764.db2.gz UHFRPBNRFKHLRO-DEOSSOPVSA-N -1 0 508.962 4.597 1 0 KJAFRM CC[C@H](C)[C@H](NC(=O)c1cc(-c2c(OC)cccc2OC)n(-c2ccnc3cc(Cl)ccc32)n1)C(=O)[O-] ZINC000040861586 562080795 /nfs/dbraw/zinc/08/07/95/562080795.db2.gz DNVLPGBDSCHRBU-MQNRADLISA-N -1 0 522.989 4.987 1 0 KJAFRM COCCn1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)[O-])c(C)c2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000040866358 562081404 /nfs/dbraw/zinc/08/14/04/562081404.db2.gz OMPVSODEIZVPQA-UHFFFAOYSA-N -1 0 507.631 4.974 1 0 KJAFRM COc1cc(/C=C/C(=O)[O-])ccc1OCCCOc1ccc(CC(=O)N(C)CCc2ccccc2)cc1 ZINC000040866413 562081419 /nfs/dbraw/zinc/08/14/19/562081419.db2.gz VLBUNSLCFVADGE-FOWTUZBSSA-N -1 0 503.595 4.885 1 0 KJAFRM COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])nn1-c1ccnc2cc(Cl)ccc21 ZINC000040866892 562081578 /nfs/dbraw/zinc/08/15/78/562081578.db2.gz ZQUSYVORYNBGLG-HXUWFJFHSA-N -1 0 522.989 4.987 1 0 KJAFRM COc1ccc([C@@H](CC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000040875048 562082013 /nfs/dbraw/zinc/08/20/13/562082013.db2.gz NAXXZCNAXGYMGJ-IRPSRAIASA-N -1 0 528.605 4.869 1 0 KJAFRM COc1ccc([C@H](CC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000040875050 562082055 /nfs/dbraw/zinc/08/20/55/562082055.db2.gz NAXXZCNAXGYMGJ-SVEHJYQDSA-N -1 0 528.605 4.869 1 0 KJAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(F)(F)F)cn3)cc2)cc1)C(=O)[O-] ZINC000040879079 562082469 /nfs/dbraw/zinc/08/24/69/562082469.db2.gz DLIDNAIAJWGAIF-JOCHJYFZSA-N -1 0 508.518 4.734 1 0 KJAFRM COc1cc(CCC(=O)[O-])ccc1OCCCOc1ccc(CC(=O)N(C)CCc2ccccc2)cc1 ZINC000040898470 562083337 /nfs/dbraw/zinc/08/33/37/562083337.db2.gz QKGRINOOZLWJNN-UHFFFAOYSA-N -1 0 505.611 4.804 1 0 KJAFRM O=C([O-])[C@@]1(N(CCn2ccnc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000040917559 562084140 /nfs/dbraw/zinc/08/41/40/562084140.db2.gz XECQSZJHRKQZRD-AHKZPQOWSA-N -1 0 522.026 4.905 1 0 KJAFRM COc1c(C)c(OC(=O)c2c(C)cc(O)cc2O)c(C)c(C(=O)Oc2cc(O)c(C(=O)[O-])c(C)c2C)c1C ZINC000040937910 562085396 /nfs/dbraw/zinc/08/53/96/562085396.db2.gz XCQZDTOTILKBSN-UHFFFAOYSA-N -1 0 524.522 4.799 1 0 KJAFRM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4c3cccc4Br)c2)c(C(=O)[O-])c1 ZINC000040957231 562086767 /nfs/dbraw/zinc/08/67/67/562086767.db2.gz IJPGVCVMSQNPSN-UHFFFAOYSA-N -1 0 513.369 4.900 1 0 KJAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(NC(=O)Oc3ccc(F)cc3)ccc12)C(=O)[O-] ZINC000040957807 562086966 /nfs/dbraw/zinc/08/69/66/562086966.db2.gz RJKVRZJNTANTQB-QFIPXVFZSA-N -1 0 500.504 4.724 1 0 KJAFRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC000040972730 562086957 /nfs/dbraw/zinc/08/69/57/562086957.db2.gz OIBRXGCFFJNTAB-UHFFFAOYSA-N -1 0 505.379 4.691 1 0 KJAFRM Cc1c(Cl)ccc2c1CN(S(=O)(=O)c1cccc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])c1)CC2 ZINC000040975644 562087176 /nfs/dbraw/zinc/08/71/76/562087176.db2.gz XGTAJDCAGLGDJI-UHFFFAOYSA-N -1 0 519.406 4.999 1 0 KJAFRM O=C([O-])[C@@]1(N(CCn2cnc3ncncc32)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000042803382 562088224 /nfs/dbraw/zinc/08/82/24/562088224.db2.gz PIONVOKWIXNLPB-ABYGYWHVSA-N -1 0 574.062 4.849 1 0 KJAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)Nc1ccc(O)c(C(=O)[O-])c1O ZINC000042803629 562088415 /nfs/dbraw/zinc/08/84/15/562088415.db2.gz WAAWLDXZCXVUTO-DZFCABPDSA-N -1 0 523.582 4.688 1 0 KJAFRM Cn1c2cc(S(=O)(=O)CCCn3cccc3)c([O-])cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000042888711 581095692 /nfs/dbraw/zinc/09/56/92/581095692.db2.gz GUZWUEBRADTPMC-UHFFFAOYSA-N -1 0 548.020 4.907 1 0 KJAFRM O=C([O-])c1ccc(OCCCn2c3ccccc3c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043023570 562645028 /nfs/dbraw/zinc/64/50/28/562645028.db2.gz OWHXTFMUHZURIJ-UHFFFAOYSA-N -1 0 506.558 4.968 1 0 KJAFRM Cc1c(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc3)cc2)oc2cccc(CCCO)c12 ZINC000043024007 562645033 /nfs/dbraw/zinc/64/50/33/562645033.db2.gz QXMXXJUEHWZLCA-MHZLTWQESA-N -1 0 564.660 4.973 1 0 KJAFRM COc1cc(-c2cc(SC)nc([N-]c3nc(N4CCCCC4)nc(N4CCCCC4)n3)n2)cc(OC)c1OC ZINC000043059853 562645141 /nfs/dbraw/zinc/64/51/41/562645141.db2.gz FRKFBTPVHSCCEZ-UHFFFAOYSA-N -1 0 552.705 4.801 1 0 KJAFRM CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc([O-])c3nc(-c4ccc(Cl)cc4Cl)[nH]c32)cc1 ZINC000043073116 562645616 /nfs/dbraw/zinc/64/56/16/562645616.db2.gz KZGDKWJGMKTJGJ-UHFFFAOYSA-N -1 0 533.437 4.976 1 0 KJAFRM Cc1c(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc3)cc2)oc2cccc(O)c12 ZINC000043074941 562645634 /nfs/dbraw/zinc/64/56/34/562645634.db2.gz RVBSKRBWGPIJIS-DEOSSOPVSA-N -1 0 522.579 4.754 1 0 KJAFRM C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000043076633 562645676 /nfs/dbraw/zinc/64/56/76/562645676.db2.gz PTKBEQICSFJDHU-OAHLLOKOSA-N -1 0 564.001 4.698 1 0 KJAFRM Cc1c(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc3)cc2)oc2cccc(N)c12 ZINC000043119736 562646058 /nfs/dbraw/zinc/64/60/58/562646058.db2.gz RVXGDNRYPJLPKA-DEOSSOPVSA-N -1 0 521.595 4.630 1 0 KJAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NCCc3cccs3)ccc12)C(=O)[O-] ZINC000043122492 562646198 /nfs/dbraw/zinc/64/61/98/562646198.db2.gz DXRHJEFJSKWMEQ-QFIPXVFZSA-N -1 0 531.681 4.868 1 0 KJAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NCc3ccccc3)ccc12)C(=O)[O-] ZINC000043122824 562646274 /nfs/dbraw/zinc/64/62/74/562646274.db2.gz TUJKFLFRSWBCFZ-QHCPKHFHSA-N -1 0 511.625 4.764 1 0 KJAFRM CCc1cc2c(nc(NCCC(=O)[O-])nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000043132388 562646346 /nfs/dbraw/zinc/64/63/46/562646346.db2.gz JIPKQZYNJJHJGL-UHFFFAOYSA-N -1 0 515.639 4.770 1 0 KJAFRM CN(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])c2cc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000043152423 562646400 /nfs/dbraw/zinc/64/64/00/562646400.db2.gz BHBDKGIDYKROMY-BAJJQUEBSA-N -1 0 544.007 4.892 1 0 KJAFRM COc1ccc(F)cc1C(C)(C)Sc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)[O-])c3c2=O)c1 ZINC000043152965 562646437 /nfs/dbraw/zinc/64/64/37/562646437.db2.gz PUBRGANQNDOUMV-UHFFFAOYSA-N -1 0 504.536 4.753 1 0 KJAFRM O=S(=O)([N-]C[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)C(F)(F)F ZINC000043154110 562646500 /nfs/dbraw/zinc/64/65/00/562646500.db2.gz VNUKGGMNIGEIQE-LCMPSIMXSA-N -1 0 559.962 4.535 1 0 KJAFRM CCc1cc(F)cc(C)c1C(=O)N[C@@H](Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)C(=O)[O-] ZINC000043171704 562646610 /nfs/dbraw/zinc/64/66/10/562646610.db2.gz ZMCITDRAZLHOJT-SANMLTNESA-N -1 0 518.633 4.846 1 0 KJAFRM CCc1cc(F)cc(C)c1C(=O)N[C@H](Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)C(=O)[O-] ZINC000043171707 562646623 /nfs/dbraw/zinc/64/66/23/562646623.db2.gz ZMCITDRAZLHOJT-AREMUKBSSA-N -1 0 518.633 4.846 1 0 KJAFRM O=C1CCNC(=O)CCc2cc(Br)c(cc2Br)Oc2cc(cc(Br)c2[O-])CCN1 ZINC000043524451 562649065 /nfs/dbraw/zinc/64/90/65/562649065.db2.gz DECFUXKCDWUXBU-UHFFFAOYSA-N -1 0 591.094 4.583 1 0 KJAFRM COC1CCC(N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000043543947 562649525 /nfs/dbraw/zinc/64/95/25/562649525.db2.gz WYIGRWUSIPANJN-UHFFFAOYSA-N -1 0 537.535 4.781 1 0 KJAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccc(Cl)cc32)cc1 ZINC000043544047 562649615 /nfs/dbraw/zinc/64/96/15/562649615.db2.gz ZSLNUHOECPLELD-UHFFFAOYSA-N -1 0 535.803 4.804 1 0 KJAFRM CCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2C(=O)[O-])cc1 ZINC000043552515 562649599 /nfs/dbraw/zinc/64/95/99/562649599.db2.gz HUMFTDLDTZAZDC-UHFFFAOYSA-N -1 0 564.401 4.847 1 0 KJAFRM CC1(C)Cc2ccccc2N1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000043552519 562649653 /nfs/dbraw/zinc/64/96/53/562649653.db2.gz NSWXGTLHOVJGIH-UHFFFAOYSA-N -1 0 529.412 4.930 1 0 KJAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(Nc3ccccc3)CC2)cc1 ZINC000043552529 562649654 /nfs/dbraw/zinc/64/96/54/562649654.db2.gz GGJAPJZNBPUUDS-UHFFFAOYSA-N -1 0 558.454 4.665 1 0 KJAFRM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000043552643 562649647 /nfs/dbraw/zinc/64/96/47/562649647.db2.gz INLNGRMRTQWGPE-UHFFFAOYSA-N -1 0 523.792 4.878 1 0 KJAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000043552645 562649628 /nfs/dbraw/zinc/64/96/28/562649628.db2.gz YTZCKGRMWAVKNX-UHFFFAOYSA-N -1 0 543.439 4.968 1 0 KJAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1cc(S(=O)(=O)NC2Cc3ccccc3C2)ccc1Br ZINC000043552647 562649641 /nfs/dbraw/zinc/64/96/41/562649641.db2.gz FXQSBMVFFWMILB-UHFFFAOYSA-N -1 0 594.281 4.608 1 0 KJAFRM CCCC[C@H]([NH3+])C(=O)Nc1cc(Cc2ccc(O)cc2)cc(C(=O)N[C@H](C(=O)NCc2ccccc2CC(=O)[O-])[C@H](C)CC)c1 ZINC000043967568 562651317 /nfs/dbraw/zinc/65/13/17/562651317.db2.gz SPPINDVOIFWTKM-UBUDTRSQSA-N -1 0 616.759 4.527 1 0 KJAFRM CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(N)=O)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)c(Br)c1 ZINC000044018449 562651533 /nfs/dbraw/zinc/65/15/33/562651533.db2.gz MEOJZNZUGOFERV-MBSHLRGSSA-N -1 0 536.492 4.761 1 0 KJAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCc3cc(Cl)ccc32)cc1 ZINC000044031689 562651565 /nfs/dbraw/zinc/65/15/65/562651565.db2.gz STVIGSGRIUTUDJ-UHFFFAOYSA-N -1 0 535.803 4.804 1 0 KJAFRM O=C([O-])CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC(C(=O)NCC3CC3)CC2)cc1 ZINC000044031784 562651600 /nfs/dbraw/zinc/65/16/00/562651600.db2.gz JGEUXPORLFXTPV-UHFFFAOYSA-N -1 0 604.626 4.909 1 0 KJAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000044053121 562651919 /nfs/dbraw/zinc/65/19/19/562651919.db2.gz TVNKCKBCNOFUAD-ZIGBKGKJSA-N -1 0 539.606 4.869 1 0 KJAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000044053125 562651912 /nfs/dbraw/zinc/65/19/12/562651912.db2.gz TVNKCKBCNOFUAD-QPJAVYDMSA-N -1 0 539.606 4.869 1 0 KJAFRM C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044069554 562652110 /nfs/dbraw/zinc/65/21/10/562652110.db2.gz JKHJNAWVHCOHNU-YAFZZEASSA-N -1 0 532.722 4.657 1 0 KJAFRM C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044069557 562652111 /nfs/dbraw/zinc/65/21/11/562652111.db2.gz JKHJNAWVHCOHNU-PDFQRVLBSA-N -1 0 532.722 4.657 1 0 KJAFRM CO[C@@H]1[C@H](OC(=O)c2ccc(C)s2)[C@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C ZINC000044118380 562652395 /nfs/dbraw/zinc/65/23/95/562652395.db2.gz DZWKPTWODIOAOT-AUHTVUCRSA-N -1 0 609.653 4.544 1 0 KJAFRM CO[C@@H]1[C@H](OC(=O)c2ccc(C)s2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C ZINC000044118390 562652363 /nfs/dbraw/zinc/65/23/63/562652363.db2.gz DZWKPTWODIOAOT-NYBSAPDNSA-N -1 0 609.653 4.544 1 0 KJAFRM O=C([O-])[C@@]1(N(CCn2cnc3cncnc32)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000044281247 562653052 /nfs/dbraw/zinc/65/30/52/562653052.db2.gz ASIKEQQSDWDWJP-ABYGYWHVSA-N -1 0 574.062 4.849 1 0 KJAFRM C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)NCC(=O)[O-] ZINC000044308284 562654245 /nfs/dbraw/zinc/65/42/45/562654245.db2.gz UEBMLYZEQXVMQL-QKPILCRPSA-N -1 0 600.841 4.825 1 0 KJAFRM COC(=O)c1cn(CCN([C@]2(C(=O)[O-])C[C@H]2c2ccccc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000044352022 562654948 /nfs/dbraw/zinc/65/49/48/562654948.db2.gz CSUSVRGINZAUKG-ABYGYWHVSA-N -1 0 580.062 4.692 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4nnc(-c5ccccc5)c(-c5ccccc5)n4)CC3)cc21 ZINC000044352180 562655064 /nfs/dbraw/zinc/65/50/64/562655064.db2.gz QODFTAJVFGHEPG-UHFFFAOYSA-N -1 0 550.594 4.704 1 0 KJAFRM CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c([O-])c(I)c1 ZINC000044352365 562655153 /nfs/dbraw/zinc/65/51/53/562655153.db2.gz UQTXCTDQSVOMGL-UHFFFAOYSA-N -1 0 560.125 4.891 1 0 in-vitro KJAFRM Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(CCN3CCOCC3)n2)ccc1OC(C)(C)C(=O)[O-] ZINC000044358478 562655320 /nfs/dbraw/zinc/65/53/20/562655320.db2.gz DXXVQQWYZBGCPX-UHFFFAOYSA-N -1 0 562.711 4.660 1 0 KJAFRM CCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c([O-])c(I)c1 ZINC000044361649 562655762 /nfs/dbraw/zinc/65/57/62/562655762.db2.gz RACLXXYRSMMTML-UHFFFAOYSA-N -1 0 546.098 4.501 1 0 KJAFRM COC(=O)c1cncn1CCN([C@]1(C(=O)[O-])C[C@H]1c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000044386432 562655913 /nfs/dbraw/zinc/65/59/13/562655913.db2.gz JIBRQXJRUURWAD-ABYGYWHVSA-N -1 0 580.062 4.692 1 0 KJAFRM COC(=O)[C@@]1(C)[C@@H]2CC[C@@H]3[C@@]4(C[C@]24[C@@H](O)C[C@@H]1O)CC[C@]1(C)[C@@H]([C@@H](C/C=C/C(C)(C)OO)C(=O)[O-])CC[C@@]31C ZINC000044386512 562655940 /nfs/dbraw/zinc/65/59/40/562655940.db2.gz MDZACYBINFCJBT-OZURKETISA-N -1 0 548.717 4.826 1 0 KJAFRM COc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3F)cs2)cnc1N1CCC(C(=O)[O-])CC1 ZINC000044387746 562656181 /nfs/dbraw/zinc/65/61/81/562656181.db2.gz URXNVLWKITVWBV-UHFFFAOYSA-N -1 0 524.496 4.925 1 0 KJAFRM CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)[C@H](O)C[C@H](O)[C@](C)(C(=O)[O-])[C@@H]1CC3=O ZINC000044387954 562656237 /nfs/dbraw/zinc/65/62/37/562656237.db2.gz KDPKGPAHQJHMQT-SYGGIMJSSA-N -1 0 502.692 4.664 1 0 KJAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)N4CCCC4)cc3)cc2)cc1)C(=O)[O-] ZINC000044404345 562656404 /nfs/dbraw/zinc/65/64/04/562656404.db2.gz VPUXSDTXLAEHRM-HHHXNRCGSA-N -1 0 536.650 4.556 1 0 KJAFRM CS(=O)(=O)c1ccc(CNCc2cc(C(=O)[O-])c(Nc3ccc(I)cc3F)c(F)c2F)cc1 ZINC000044404479 562656405 /nfs/dbraw/zinc/65/64/05/562656405.db2.gz FHSZADDMYZNJFY-UHFFFAOYSA-N -1 0 590.361 4.844 1 0 KJAFRM COc1ccc([C@@H](CC(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000044405880 562656746 /nfs/dbraw/zinc/65/67/46/562656746.db2.gz XKDSEIRMISTJJW-IRPSRAIASA-N -1 0 544.604 4.574 1 0 KJAFRM COc1ccc([C@H](CC(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000044405883 562656730 /nfs/dbraw/zinc/65/67/30/562656730.db2.gz XKDSEIRMISTJJW-SVEHJYQDSA-N -1 0 544.604 4.574 1 0 KJAFRM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(CC)CC)CC3)s2)cc1 ZINC000044406329 562656861 /nfs/dbraw/zinc/65/68/61/562656861.db2.gz FKFXZYVMDNOTOS-HSZRJFAPSA-N -1 0 538.688 4.583 1 0 KJAFRM O=C([O-])C[C@@H](c1ccc2c(c1)OCO2)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O ZINC000044417273 562657060 /nfs/dbraw/zinc/65/70/60/562657060.db2.gz MLCFOKYQRPBDTP-QFIPXVFZSA-N -1 0 526.549 4.587 1 0 KJAFRM O=C([O-])C[C@H](c1ccc2c(c1)OCO2)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O ZINC000044417277 562657100 /nfs/dbraw/zinc/65/71/00/562657100.db2.gz MLCFOKYQRPBDTP-JOCHJYFZSA-N -1 0 526.549 4.587 1 0 KJAFRM O=C(c1cccc(S(=O)(=O)N2CCc3cc(Cl)ccc32)c1)n1[n-]c(=O)c2cc(Br)ccc21 ZINC000044418064 562657236 /nfs/dbraw/zinc/65/72/36/562657236.db2.gz IISYNLKOWMKGIM-UHFFFAOYSA-N -1 0 532.803 4.598 1 0 KJAFRM O=C([O-])[C@@]1(N(CCN2CCCC2=O)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000044430553 562657555 /nfs/dbraw/zinc/65/75/55/562657555.db2.gz PQZKWIKGTDZECV-LBNVMWSVSA-N -1 0 539.053 4.631 1 0 KJAFRM COc1cccn(CCN([C@]2(C(=O)[O-])C[C@H]2c2ccccc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1=O ZINC000044430794 562657669 /nfs/dbraw/zinc/65/76/69/562657669.db2.gz RPIUNUUQFWLVDM-FREGXXQWSA-N -1 0 579.074 4.879 1 0 KJAFRM O=C([O-])[C@@]1(N(CCN2CCCOC2=O)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000044431218 562657781 /nfs/dbraw/zinc/65/77/81/562657781.db2.gz MJBZNVGBLSSPEY-LBNVMWSVSA-N -1 0 555.052 4.851 1 0 KJAFRM C[C@@](Cc1ccccc1)(C(=O)[O-])N(CCN1CCCC1=O)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000044431626 562657892 /nfs/dbraw/zinc/65/78/92/562657892.db2.gz LKBXWWXGNYTFLM-MUUNZHRXSA-N -1 0 541.069 4.706 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1cnn2c1ncc(-c1ccc(F)cc1)c2C1CCCCC1 ZINC000045259840 562660007 /nfs/dbraw/zinc/66/00/07/562660007.db2.gz JEPNDASPVGSQMU-DEOSSOPVSA-N -1 0 502.546 4.714 1 0 in-vivo KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)/C=C/c4ccc(Cl)cc4Cl)CC3)cc21 ZINC000045298429 562660375 /nfs/dbraw/zinc/66/03/75/562660375.db2.gz GWZCJFGPSILTNV-GQCTYLIASA-N -1 0 518.372 4.528 1 0 KJAFRM CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)C(=O)[O-] ZINC000045336758 562661389 /nfs/dbraw/zinc/66/13/89/562661389.db2.gz LPTIVJHXKJOFOH-SANMLTNESA-N -1 0 500.643 4.707 1 0 KJAFRM CCc1cccc(C)c1C(=O)N[C@H](Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)C(=O)[O-] ZINC000045336760 562661396 /nfs/dbraw/zinc/66/13/96/562661396.db2.gz LPTIVJHXKJOFOH-AREMUKBSSA-N -1 0 500.643 4.707 1 0 KJAFRM Cc1cc(F)cc(C)c1C(=O)N[C@@H](Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)C(=O)[O-] ZINC000045337493 562661456 /nfs/dbraw/zinc/66/14/56/562661456.db2.gz FSPLAXQMJPHBAM-VWLOTQADSA-N -1 0 504.606 4.592 1 0 KJAFRM Cc1cc(F)cc(C)c1C(=O)N[C@H](Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)C(=O)[O-] ZINC000045337495 562661437 /nfs/dbraw/zinc/66/14/37/562661437.db2.gz FSPLAXQMJPHBAM-RUZDIDTESA-N -1 0 504.606 4.592 1 0 KJAFRM Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(N3CCC(CNc4ccccn4)CC3)cc2)C(=O)[O-])c(C)c1 ZINC000045353912 562661767 /nfs/dbraw/zinc/66/17/67/562661767.db2.gz QWDUETPFSXAGIR-SANMLTNESA-N -1 0 500.643 4.761 1 0 KJAFRM Cc1cc(C)c(C(=O)N[C@H](Cc2ccc(N3CCC(CNc4ccccn4)CC3)cc2)C(=O)[O-])c(C)c1 ZINC000045353915 562661824 /nfs/dbraw/zinc/66/18/24/562661824.db2.gz QWDUETPFSXAGIR-AREMUKBSSA-N -1 0 500.643 4.761 1 0 KJAFRM NS(=O)(=O)c1cccc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])c1 ZINC000045358921 562662005 /nfs/dbraw/zinc/66/20/05/562662005.db2.gz OYPQQMFNEGYGFY-UHFFFAOYSA-N -1 0 500.548 4.543 1 0 KJAFRM NS(=O)(=O)c1ccc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])cc1 ZINC000045364407 562661984 /nfs/dbraw/zinc/66/19/84/562661984.db2.gz HDUFPXYTKOHYIW-UHFFFAOYSA-N -1 0 500.548 4.543 1 0 KJAFRM CO/C(=C\c1cc(Br)c([O-])c(Br)c1)C(=O)N/C=C/c1ccc(OC(C)=O)cc1 ZINC000045368647 562662166 /nfs/dbraw/zinc/66/21/66/562662166.db2.gz VGHIWOOZQQFBFN-DMEQQGFLSA-N -1 0 511.166 4.617 1 0 KJAFRM COc1cccc(Oc2cccc3c2c(/C=C/C(=O)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cn3C)c1 ZINC000045496013 562662666 /nfs/dbraw/zinc/66/26/66/562662666.db2.gz BJEUHNYKRCRIHI-MDZDMXLPSA-N -1 0 516.497 4.915 1 0 KJAFRM O=C([O-])C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000045498650 562662785 /nfs/dbraw/zinc/66/27/85/562662785.db2.gz PLORMMYDFRWDDE-JTHBVZDNSA-N -1 0 508.594 4.740 1 0 KJAFRM O=C([O-])C[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000045498652 562662796 /nfs/dbraw/zinc/66/27/96/562662796.db2.gz PLORMMYDFRWDDE-GGAORHGYSA-N -1 0 508.594 4.740 1 0 KJAFRM O=C([O-])C[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000045498654 562662776 /nfs/dbraw/zinc/66/27/76/562662776.db2.gz PLORMMYDFRWDDE-FYYLOGMGSA-N -1 0 508.594 4.740 1 0 KJAFRM Cc1c([C@@H]2c3ccccc3S(=O)(=O)N2CCOc2ccc(Cl)cc2)c2ccccc2n1CC(=O)[O-] ZINC000049110457 562664514 /nfs/dbraw/zinc/66/45/14/562664514.db2.gz XPTYRDICABQMAS-SANMLTNESA-N -1 0 510.999 4.860 1 0 KJAFRM Cc1c([C@H]2c3ccccc3S(=O)(=O)N2CCOc2ccc(Cl)cc2)c2ccccc2n1CC(=O)[O-] ZINC000049110459 562664525 /nfs/dbraw/zinc/66/45/25/562664525.db2.gz XPTYRDICABQMAS-AREMUKBSSA-N -1 0 510.999 4.860 1 0 KJAFRM Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)[O-])NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000049605892 562666410 /nfs/dbraw/zinc/66/64/10/562666410.db2.gz DRQVDSCOJCYNGL-PQMADMOESA-N -1 0 694.789 4.921 1 0 KJAFRM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(Br)c2OC)cc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000049639174 562667683 /nfs/dbraw/zinc/66/76/83/562667683.db2.gz UPBCWFGVGOEOKD-UHFFFAOYSA-N -1 0 615.761 4.594 1 0 KJAFRM O=C([O-])CCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc32)NC1=O ZINC000049677806 562668392 /nfs/dbraw/zinc/66/83/92/562668392.db2.gz VGLDOTYMNLKSIR-AKQLPAHTSA-N -1 0 715.851 4.727 1 0 KJAFRM Cc1cn(Cc2cn3ccccc3n2)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049677841 562668397 /nfs/dbraw/zinc/66/83/97/562668397.db2.gz GORVHQOPMSYJLR-VMPITWQZSA-N -1 0 524.524 4.581 1 0 KJAFRM Cc1cn(Cc2cn3ccccc3n2)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000049678110 562668474 /nfs/dbraw/zinc/66/84/74/562668474.db2.gz DBKCFFQIWNFRMN-AATRIKPKSA-N -1 0 524.524 4.581 1 0 KJAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(SC3CCCC3)nc(-c3ccccc3)n2)CC1 ZINC000049680195 562669152 /nfs/dbraw/zinc/66/91/52/562669152.db2.gz AGTQKMKCEYTVNM-DEOSSOPVSA-N -1 0 611.765 4.613 1 0 KJAFRM O=C([O-])[C@H]1CCCN1C(=O)N1[C@@H]2CC[C@H]1CC(c1ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn31)C2 ZINC000049694895 581096411 /nfs/dbraw/zinc/09/64/11/581096411.db2.gz UDKIKURHDLVZDP-OKGVJPLOSA-N -1 0 562.634 4.714 1 0 KJAFRM O=C([O-])Cn1cnc(C(=O)c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1 ZINC000049695336 562670440 /nfs/dbraw/zinc/67/04/40/562670440.db2.gz KNYXCJCIVARQRW-UHFFFAOYSA-N -1 0 573.562 4.707 1 0 KJAFRM CCCC(=O)[N-]S(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1 ZINC000049708857 562671068 /nfs/dbraw/zinc/67/10/68/562671068.db2.gz PNEQOGFCKMWIML-LJQANCHMSA-N -1 0 530.672 4.608 1 0 KJAFRM CCCC(=O)[N-]S(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1 ZINC000049708859 562671120 /nfs/dbraw/zinc/67/11/20/562671120.db2.gz PNEQOGFCKMWIML-IBGZPJMESA-N -1 0 530.672 4.608 1 0 KJAFRM CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Br)cc2[S-])CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720449 562672078 /nfs/dbraw/zinc/67/20/78/562672078.db2.gz FWDLLMHEAFMLAW-MWENIVGLSA-N -1 0 723.778 4.523 1 0 KJAFRM COC(=O)c1cn(CCN([C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000049723098 562672963 /nfs/dbraw/zinc/67/29/63/562672963.db2.gz CSUSVRGINZAUKG-IRPSRAIASA-N -1 0 580.062 4.692 1 0 KJAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1O ZINC000049745541 562673932 /nfs/dbraw/zinc/67/39/32/562673932.db2.gz UMHUIUBPLNPTMK-ABYGYWHVSA-N -1 0 548.544 4.804 1 0 KJAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1O ZINC000049745543 562673980 /nfs/dbraw/zinc/67/39/80/562673980.db2.gz UMHUIUBPLNPTMK-SVEHJYQDSA-N -1 0 548.544 4.804 1 0 KJAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1O ZINC000049745545 562673951 /nfs/dbraw/zinc/67/39/51/562673951.db2.gz UMHUIUBPLNPTMK-VAVYLYDRSA-N -1 0 548.544 4.804 1 0 KJAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1O ZINC000049745547 562673975 /nfs/dbraw/zinc/67/39/75/562673975.db2.gz UMHUIUBPLNPTMK-IRPSRAIASA-N -1 0 548.544 4.804 1 0 KJAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(COCCC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049746929 562674676 /nfs/dbraw/zinc/67/46/76/562674676.db2.gz KTNZQDFPUIULHZ-PMERELPUSA-N -1 0 665.832 4.826 1 0 KJAFRM NC(=O)Cc1c(C(=O)N2CCC(C(=O)[O-])(c3ccc(F)cn3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000049756704 562675221 /nfs/dbraw/zinc/67/52/21/562675221.db2.gz SKHJYMXKKBQLIN-UHFFFAOYSA-N -1 0 596.446 4.667 1 0 KJAFRM CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 ZINC000049757290 562675834 /nfs/dbraw/zinc/67/58/34/562675834.db2.gz HRVRKPFPRCYOJT-SANMLTNESA-N -1 0 596.725 4.752 1 0 KJAFRM NC(=O)Cc1c(C(=O)N2CCC(C(=O)[O-])(c3ccccn3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000049757503 562676092 /nfs/dbraw/zinc/67/60/92/562676092.db2.gz SMMDHXBJGWDJES-UHFFFAOYSA-N -1 0 578.456 4.528 1 0 KJAFRM CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049763028 562676773 /nfs/dbraw/zinc/67/67/73/562676773.db2.gz PERRQLWKIDIDAR-HKBQPEDESA-N -1 0 706.885 4.658 1 0 KJAFRM COc1cc(C(=O)[N-]c2nonc2NCc2ccc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)on1 ZINC000049766797 562677203 /nfs/dbraw/zinc/67/72/03/562677203.db2.gz WEVILATZZMPFBJ-UHFFFAOYSA-N -1 0 543.874 4.888 1 0 KJAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(-c2cn(CC(=O)Nc3nc4ccccc4s3)nn2)c1-c1ccccc1 ZINC000049767618 562677616 /nfs/dbraw/zinc/67/76/16/562677616.db2.gz HWHCRXKZIGLFJS-UHFFFAOYSA-N -1 0 524.562 4.756 1 0 KJAFRM CC(=O)N1CCN(c2cc(-c3nc(C(c4ccc(F)cc4)c4ccc(F)cc4)sc3CC(=O)[O-])ccn2)CC1 ZINC000049768074 562677830 /nfs/dbraw/zinc/67/78/30/562677830.db2.gz WEMDMVHBYVEMGI-UHFFFAOYSA-N -1 0 548.615 4.959 1 0 KJAFRM CC(C)(C)Oc1ccc(C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)c2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000049772252 562678566 /nfs/dbraw/zinc/67/85/66/562678566.db2.gz LJMQUSNZDFLNFN-KYJUHHDHSA-N -1 0 684.790 4.966 1 0 KJAFRM O=S(=O)(CC(F)(F)F)[N-]C[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000049777219 562679760 /nfs/dbraw/zinc/67/97/60/562679760.db2.gz XTUWPBJYLMIPRQ-PCMMCCAGSA-N -1 0 573.989 4.578 1 0 KJAFRM C[C@@H]1C[C@H]2O[C@@]3(C[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C[C@@H](OC(=O)[O-])[C@]2(C)[C@@H]13)CC[C@H](O)C5(C)C ZINC000049777273 562679858 /nfs/dbraw/zinc/67/98/58/562679858.db2.gz QDQTUGOWMGACMO-LKNVOPGRSA-N -1 0 546.745 4.995 1 0 KJAFRM O=C(CCc1ccc(Cn2cccn2)cc1ONCc1cccc2ccccc21)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049777587 562680254 /nfs/dbraw/zinc/68/02/54/562680254.db2.gz CUVIWZMOEZNKMO-UHFFFAOYSA-N -1 0 576.625 4.884 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000049777853 562680592 /nfs/dbraw/zinc/68/05/92/562680592.db2.gz DJDXDCSJVWBHKD-DTXPUJKBSA-N -1 0 601.744 4.610 1 0 KJAFRM Cc1nc(C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)[O-])c(C)o1 ZINC000049777871 562680599 /nfs/dbraw/zinc/68/05/99/562680599.db2.gz WEMYVDFSUIDDDX-ZPGRZCPFSA-N -1 0 724.818 4.598 1 0 KJAFRM Cc1cc(OCc2nc(-c3cnc(N4CCOCC4)nc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049778062 562680849 /nfs/dbraw/zinc/68/08/49/562680849.db2.gz ARDLYEQBIROAPF-UHFFFAOYSA-N -1 0 586.523 4.885 1 0 KJAFRM CCCc1ccccc1OS(=O)(=O)[N-]C(=O)C1(c2cccc(OC)c2)CCN(c2ccccc2OC)CC1 ZINC000049780580 562681891 /nfs/dbraw/zinc/68/18/91/562681891.db2.gz DOSPIOLXMCTXIZ-UHFFFAOYSA-N -1 0 538.666 4.635 1 0 KJAFRM C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1C(F)(F)F ZINC000049780699 562682120 /nfs/dbraw/zinc/68/21/20/562682120.db2.gz YMBOZHBXRGFOHL-DEOSSOPVSA-N -1 0 538.459 4.759 1 0 KJAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049780753 562682160 /nfs/dbraw/zinc/68/21/60/562682160.db2.gz OKVJTMZLLRXEJY-WEVVVXLNSA-N -1 0 537.371 4.879 1 0 KJAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000049780772 562682257 /nfs/dbraw/zinc/68/22/57/562682257.db2.gz DBCXJPULOVPXNM-CSKARUKUSA-N -1 0 538.906 4.775 1 0 KJAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049780860 562682352 /nfs/dbraw/zinc/68/23/52/562682352.db2.gz PFFVXHDLNGWLIK-WEVVVXLNSA-N -1 0 537.371 4.879 1 0 KJAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000049781005 562682522 /nfs/dbraw/zinc/68/25/22/562682522.db2.gz UXYDTFCWKZHLCE-ZHACJKMWSA-N -1 0 536.531 4.865 1 0 KJAFRM C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Br)c1 ZINC000049781020 562682518 /nfs/dbraw/zinc/68/25/18/562682518.db2.gz UOLFBZYNLRKEKZ-DEOSSOPVSA-N -1 0 549.358 4.503 1 0 KJAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ncccn3)CC2)c1 ZINC000049781342 562682931 /nfs/dbraw/zinc/68/29/31/562682931.db2.gz YVDNMOOBMIRZMX-UHFFFAOYSA-N -1 0 552.697 4.710 1 0 KJAFRM O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)[N-]S(=O)(=O)c1cccnc1 ZINC000049783628 562683170 /nfs/dbraw/zinc/68/31/70/562683170.db2.gz ZIBNPXSFCSQQNQ-UHFFFAOYSA-N -1 0 540.645 4.539 1 0 KJAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000049783907 562683318 /nfs/dbraw/zinc/68/33/18/562683318.db2.gz SPKOMQWURCMAAK-ZHACJKMWSA-N -1 0 550.514 4.505 1 0 KJAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccco3)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049784210 562683509 /nfs/dbraw/zinc/68/35/09/562683509.db2.gz DDRCSJRNLROLKA-BIWBSIMWSA-N -1 0 520.566 4.870 1 0 KJAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccco3)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049784211 562683516 /nfs/dbraw/zinc/68/35/16/562683516.db2.gz DDRCSJRNLROLKA-ZGOFBEGVSA-N -1 0 520.566 4.870 1 0 KJAFRM Cc1cn(Cc2ccc3c(c2)OCCO3)c2c1cc(F)cc2-c1nnc([N-]S(=O)(=O)c2ccc(F)cc2)o1 ZINC000049793437 562684838 /nfs/dbraw/zinc/68/48/38/562684838.db2.gz QPSUYCCXWJVILO-UHFFFAOYSA-N -1 0 538.532 4.898 1 0 KJAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049793446 562684864 /nfs/dbraw/zinc/68/48/64/562684864.db2.gz ZQDLCZUZPUGYQD-FNORWQNLSA-N -1 0 543.400 4.941 1 0 KJAFRM O=C([O-])COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc4ccccc42)C2=C(N=3)c3ccccc3CC2)c1 ZINC000049793480 562684874 /nfs/dbraw/zinc/68/48/74/562684874.db2.gz WNGODDOYVDPJJV-FABFSAKGSA-N -1 0 544.632 4.935 1 0 KJAFRM O=C([O-])COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc4ccccc42)C2=C(N=3)c3ccccc3CC2)c1 ZINC000049793481 562684869 /nfs/dbraw/zinc/68/48/69/562684869.db2.gz WNGODDOYVDPJJV-CTHKJOMYSA-N -1 0 544.632 4.935 1 0 KJAFRM C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 ZINC000049802611 562685824 /nfs/dbraw/zinc/68/58/24/562685824.db2.gz YRLWOUXQTIDPEK-DEOSSOPVSA-N -1 0 538.459 4.759 1 0 KJAFRM O=C([N-]S(=O)(=O)c1ccccc1)NCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 ZINC000049802820 562685920 /nfs/dbraw/zinc/68/59/20/562685920.db2.gz PELNAJMIORGITF-UHFFFAOYSA-N -1 0 540.645 4.894 1 0 KJAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@@H]3CNS(C)(=O)=O)nc2-c2ccc(C)cc2)c1 ZINC000049823203 562687082 /nfs/dbraw/zinc/68/70/82/562687082.db2.gz NKKFEAGZTVHWTC-LJAQVGFWSA-N -1 0 667.788 4.978 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@H](N2CCC2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000049832941 562687341 /nfs/dbraw/zinc/68/73/41/562687341.db2.gz DWWRBBBYJCGWGH-OPXMRZJTSA-N -1 0 715.443 4.597 1 0 KJAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000049832988 562687351 /nfs/dbraw/zinc/68/73/51/562687351.db2.gz NRMKSPOWOANUGM-XFCANUNOSA-N -1 0 729.831 4.703 1 0 KJAFRM CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3ccccc32)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)C(=O)[O-] ZINC000049833260 562687646 /nfs/dbraw/zinc/68/76/46/562687646.db2.gz YKNJNPJKKWPKRC-GTCYTXIXSA-N -1 0 725.887 4.845 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CC2)N(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC000049833270 562687639 /nfs/dbraw/zinc/68/76/39/562687639.db2.gz ANPCSZDBYATLCX-YPZXTKLSSA-N -1 0 660.768 4.932 1 0 KJAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000049841250 562688156 /nfs/dbraw/zinc/68/81/56/562688156.db2.gz RXKZEOMBVZELEA-UZNIZVIGSA-N -1 0 713.942 4.745 1 0 KJAFRM O=[P@]([O-])(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 ZINC000049844805 562688653 /nfs/dbraw/zinc/68/86/53/562688653.db2.gz PYHCZIXNZWZCBY-UHFFFAOYSA-N -1 0 657.904 4.676 1 0 KJAFRM Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)[O-])NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000049853559 562688955 /nfs/dbraw/zinc/68/89/55/562688955.db2.gz DRQVDSCOJCYNGL-QGWJVEIISA-N -1 0 694.789 4.921 1 0 KJAFRM CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c(O)c4)c(-c4ccncc4)nn32)cc1 ZINC000049872020 562689696 /nfs/dbraw/zinc/68/96/96/562689696.db2.gz JEJHYHQYTOXLOT-ZEQRLZLVSA-N -1 0 520.568 4.779 1 0 KJAFRM CC(C)c1c(C(=O)N(C)[C@@H](C)c2ccccc2)nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000049877475 562690147 /nfs/dbraw/zinc/69/01/47/562690147.db2.gz MWFPRNDXYVUNHJ-WUMKDDEVSA-N -1 0 525.621 4.623 1 0 KJAFRM O=C(c1cccc(S(=O)(=O)N2CCc3cc(Cl)ccc32)c1)n1[n-]c(=O)c2cc(C(F)(F)F)ccc21 ZINC000049877757 562690267 /nfs/dbraw/zinc/69/02/67/562690267.db2.gz ZKVGGIDMAKDKMG-UHFFFAOYSA-N -1 0 521.904 4.854 1 0 KJAFRM O=C(c1cccc(S(=O)(=O)N2CCc3cc(Cl)ccc32)c1)n1[n-]c(=O)c2ccc(Br)cc21 ZINC000049877760 562690278 /nfs/dbraw/zinc/69/02/78/562690278.db2.gz DAQBMKGTEDHHRG-UHFFFAOYSA-N -1 0 532.803 4.598 1 0 KJAFRM CCc1c(C(=O)NCc2ccc(-c3ccccc3)cc2)c2c(n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])CCCCC2 ZINC000049877768 562690269 /nfs/dbraw/zinc/69/02/69/562690269.db2.gz QAHXUYBKXUMQHT-CLJLJLNGSA-N -1 0 532.681 4.893 1 0 KJAFRM CC1(C)[C@@H]2C(=O)C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@H]([C@@]5(C)CCCC(C)(C)O5)CC[C@]43C)[C@@]2(C)C[C@]1(O)C(=O)[O-] ZINC000049877988 562690346 /nfs/dbraw/zinc/69/03/46/562690346.db2.gz JJRWQVHBBISWBL-NJAPZZHESA-N -1 0 504.708 4.985 1 0 KJAFRM CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])[C@H]4C[C@H](O)[C@@]3(C)[C@H]12 ZINC000049888802 562691487 /nfs/dbraw/zinc/69/14/87/562691487.db2.gz PGGDNFLHYMDIRS-QYWQWFLASA-N -1 0 556.696 4.636 1 0 KJAFRM CC(=O)O[C@H]1[C@H](OC(=O)C[C@@](C)(O)CC(=O)[O-])C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000049888924 562691591 /nfs/dbraw/zinc/69/15/91/562691591.db2.gz CBOCHURFHBDQGB-AQKNGHDUSA-N -1 0 692.887 4.660 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](CC(=O)NC2(C(=O)[O-])CC2)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC000049889353 562692020 /nfs/dbraw/zinc/69/20/20/562692020.db2.gz WSXCDSDUNJEQRQ-QXTPGCHQSA-N -1 0 660.768 4.932 1 0 KJAFRM CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)CC[C@](C)([C@H](C)C(C)C)[C@@H](C(=O)[O-])[C@]1(C)CC3 ZINC000049889450 562692094 /nfs/dbraw/zinc/69/20/94/562692094.db2.gz VAULMUOCCMYLIA-CFKORPOZSA-N -1 0 678.904 4.845 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@@H](N2CCC2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000049889502 562692164 /nfs/dbraw/zinc/69/21/64/562692164.db2.gz DWWRBBBYJCGWGH-YNJKOYDBSA-N -1 0 715.443 4.597 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)NC2(CC(=O)[O-])CC2)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC000049898186 562692323 /nfs/dbraw/zinc/69/23/23/562692323.db2.gz GTZXGOAJIWVMRX-JWZRJXMASA-N -1 0 660.768 4.932 1 0 KJAFRM C[NH2+][C@@H](Cn1c(=O)c(-c2cccc(OCCOCC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049898238 562692331 /nfs/dbraw/zinc/69/23/31/562692331.db2.gz ARERDXBHAZDIGD-VWLOTQADSA-N -1 0 647.597 4.771 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CC2)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC000049898501 562692615 /nfs/dbraw/zinc/69/26/15/562692615.db2.gz PCSFDAYFVAMCDF-OVTKCHPXSA-N -1 0 646.741 4.541 1 0 KJAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000049898543 562692619 /nfs/dbraw/zinc/69/26/19/562692619.db2.gz VLKSXELFNUEYKM-OHOLNXJGSA-N -1 0 604.825 4.525 1 0 KJAFRM 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ZINC000064512232 562706247 /nfs/dbraw/zinc/70/62/47/562706247.db2.gz NDRGPHAFOLTLRU-UHFFFAOYSA-N -1 0 513.667 4.799 1 0 KJAFRM C[C@@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000064528044 562707244 /nfs/dbraw/zinc/70/72/44/562707244.db2.gz YVXGRBGGZCGCQZ-CYBMUJFWSA-N -1 0 586.006 4.645 1 0 KJAFRM Cc1ccccc1S(=O)(=O)[N-]c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2 ZINC000064528330 562707315 /nfs/dbraw/zinc/70/73/15/562707315.db2.gz CPLHXNCPKTZFBE-UHFFFAOYSA-N -1 0 513.667 4.799 1 0 KJAFRM Cc1cccc(S(=O)(=O)[N-]c2nc(NCCc3ccccc3)nc3c2CN(Cc2ccccc2)CC3)c1 ZINC000064528522 562707387 /nfs/dbraw/zinc/70/73/87/562707387.db2.gz SMEGAWMUAQCEBU-UHFFFAOYSA-N -1 0 513.667 4.799 1 0 KJAFRM C/C(NNC(=S)N1CCc2cc(C(=O)[O-])ccc21)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 ZINC000064540058 562707660 /nfs/dbraw/zinc/70/76/60/562707660.db2.gz YEMUOEHMKYRKQT-QQXSKIMKSA-N -1 0 528.609 4.864 1 0 KJAFRM C/C(NNC(=S)N1CCc2cc(C(=O)[O-])ccc21)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 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578.548 4.619 1 0 KJAFRM COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 ZINC000072106131 562720934 /nfs/dbraw/zinc/72/09/34/562720934.db2.gz WMUFBYGHMKJROO-QFIPXVFZSA-N -1 0 500.551 4.550 1 0 KJAFRM CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc21 ZINC000072106529 562721037 /nfs/dbraw/zinc/72/10/37/562721037.db2.gz HUZCBCHTKAAOJJ-UHFFFAOYSA-N -1 0 578.548 4.619 1 0 KJAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1nc(NCc2ccccc2)nc(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[nH+]1 ZINC000072107335 562721259 /nfs/dbraw/zinc/72/12/59/562721259.db2.gz NLRHBFWRWZGLBY-SVBPBHIXSA-N -1 0 590.644 4.662 1 0 KJAFRM CC(C)c1ccc(NC(=O)c2cc(I)cc(I)c2[O-])cc1 ZINC000072108516 562721437 /nfs/dbraw/zinc/72/14/37/562721437.db2.gz BHQUCEYGVQQDGG-UHFFFAOYSA-N -1 0 507.109 4.977 1 0 KJAFRM O=C(c1sc2cc(F)ccc2c1Cl)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000072108601 562721464 /nfs/dbraw/zinc/72/14/64/562721464.db2.gz YVNVOGMCBLDQFU-UHFFFAOYSA-N -1 0 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CECBYFPRDXXDMB-DBQZHCBRSA-N -1 0 557.621 4.553 1 0 KJAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@H](C(=O)[O-])c3ccc(F)cc3)c2)c(OC)c1 ZINC000084603364 562744124 /nfs/dbraw/zinc/74/41/24/562744124.db2.gz ARRIRCWXVMNDPN-GIPLCNRYSA-N -1 0 545.585 4.684 1 0 KJAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C(=O)[O-])c3ccc(F)cc3)c2)c(OC)c1 ZINC000084603367 562744134 /nfs/dbraw/zinc/74/41/34/562744134.db2.gz ARRIRCWXVMNDPN-TYBKAHOSSA-N -1 0 545.585 4.684 1 0 KJAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@H](C(=O)[O-])c3ccccc3)c2)c(OC)c1 ZINC000084615088 562744456 /nfs/dbraw/zinc/74/44/56/562744456.db2.gz KEVFAHSHSRDVLW-JYSHFMIGSA-N -1 0 527.595 4.545 1 0 KJAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C(=O)[O-])c3ccccc3)c2)c(OC)c1 ZINC000084615090 562744453 /nfs/dbraw/zinc/74/44/53/562744453.db2.gz KEVFAHSHSRDVLW-WUZNFDRSSA-N -1 0 527.595 4.545 1 0 KJAFRM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN(C)C(C)=O)c1 ZINC000084617850 562745037 /nfs/dbraw/zinc/74/50/37/562745037.db2.gz VCQBYDICCOARIN-UHFFFAOYSA-N -1 0 519.048 4.587 1 0 KJAFRM Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCN(c4ccc(C(N)=O)cc4)CC3)cc2)c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000084632037 562745403 /nfs/dbraw/zinc/74/54/03/562745403.db2.gz SNSKABVPQWBANT-UHFFFAOYSA-N -1 0 670.788 4.736 1 0 KJAFRM Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C(=O)[O-])ccn2)cc2c[nH]nc21 ZINC000084635510 562746194 /nfs/dbraw/zinc/74/61/94/562746194.db2.gz KDCYNZWBCZEYFR-SANMLTNESA-N -1 0 554.607 4.897 1 0 KJAFRM Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C(=O)[O-])ccn2)cc2c[nH]nc21 ZINC000084635513 562746171 /nfs/dbraw/zinc/74/61/71/562746171.db2.gz KDCYNZWBCZEYFR-AREMUKBSSA-N -1 0 554.607 4.897 1 0 KJAFRM Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084652221 562746480 /nfs/dbraw/zinc/74/64/80/562746480.db2.gz SANKBBBKIREHFJ-XMMPIXPASA-N -1 0 566.672 4.819 1 0 KJAFRM O=C([O-])[C@@H]1CSc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc43)c(CN3CCOCC3)c(=O)n21 ZINC000084652461 562746535 /nfs/dbraw/zinc/74/65/35/562746535.db2.gz KUOVUUHSYJOABH-DEOSSOPVSA-N -1 0 572.639 4.540 1 0 KJAFRM O=C([O-])[C@@H]1CSc2c(-c3cccs3)c(Cc3cccc4ccccc43)c(CN3CCOCC3)c(=O)n21 ZINC000084652462 562746512 /nfs/dbraw/zinc/74/65/12/562746512.db2.gz RECCTLRLFFSGKX-QHCPKHFHSA-N -1 0 518.660 4.884 1 0 KJAFRM Cn1cc(-c2c3n(c(=O)c(CO)c2COc2cccc4ccccc42)[C@H](C(=O)[O-])CS3)c2ccccc21 ZINC000084652463 562746527 /nfs/dbraw/zinc/74/65/27/562746527.db2.gz YLAIZEBVHHEXQQ-DEOSSOPVSA-N -1 0 512.587 4.963 1 0 KJAFRM Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CN3CC(C(=O)[O-])C3)cc21 ZINC000084652758 562746638 /nfs/dbraw/zinc/74/66/38/562746638.db2.gz BIORJDGRVOKKJM-UHFFFAOYSA-N -1 0 535.522 4.993 1 0 KJAFRM CN(C)c1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)n1 ZINC000084654035 562747168 /nfs/dbraw/zinc/74/71/68/562747168.db2.gz FKASXWSDVMDKSE-NRFANRHFSA-N -1 0 502.398 4.502 1 0 KJAFRM COc1c(Cl)cc([C@@H]2C(C(=O)[O-])=CNC(C(OC)OC)=C2C(=O)OC/C=C/c2ccccc2)cc1Cl ZINC000084654150 562747215 /nfs/dbraw/zinc/74/72/15/562747215.db2.gz LWFVCQIIGFWCHV-JRMCHAMMSA-N -1 0 534.392 4.787 1 0 KJAFRM COc1c(Cl)cc([C@H]2C(C(=O)[O-])=CNC(C(OC)OC)=C2C(=O)OC/C=C/c2ccccc2)cc1Cl ZINC000084654151 562747231 /nfs/dbraw/zinc/74/72/31/562747231.db2.gz LWFVCQIIGFWCHV-OSICKASQSA-N -1 0 534.392 4.787 1 0 KJAFRM COc1ccc(-c2c(C3CCCCC3)c3ccc4cc3n2CC(=O)NCCCCN(C)S(=O)(=O)[N-]C4=O)cc1 ZINC000084654591 562747308 /nfs/dbraw/zinc/74/73/08/562747308.db2.gz YOLCBIVXUSHZAD-UHFFFAOYSA-N -1 0 552.697 4.756 1 0 KJAFRM CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2C)n1 ZINC000084654726 562747309 /nfs/dbraw/zinc/74/73/09/562747309.db2.gz AYXKDCNGRBXXLP-FQEVSTJZSA-N -1 0 502.398 4.786 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(OCCNc2nc3ccccc3[nH]2)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654958 562747344 /nfs/dbraw/zinc/74/73/44/562747344.db2.gz IFDCMTYFWOPBHL-NRFANRHFSA-N -1 0 513.381 4.786 1 0 KJAFRM CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)[O-])c1 ZINC000084655147 562747446 /nfs/dbraw/zinc/74/74/46/562747446.db2.gz UIQHPJBLRPBJON-QFIPXVFZSA-N -1 0 609.915 4.675 1 0 KJAFRM CN1CCOCCN(C)S(=O)(=O)[N-]C(=O)c2ccc3c(c2)n2c(c3C3CCCCC3)-c3ccc(F)cc3C=C(C2)C1=O ZINC000084655334 562747484 /nfs/dbraw/zinc/74/74/84/562747484.db2.gz LOAFYOJUBZPIMS-UHFFFAOYSA-N -1 0 594.709 4.862 1 0 KJAFRM CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2F)n1 ZINC000084655499 562747567 /nfs/dbraw/zinc/74/75/67/562747567.db2.gz RQGAXIDPYFPPMW-IBGZPJMESA-N -1 0 506.361 4.616 1 0 KJAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@H](c2cc(Cl)cc(Cl)c2)C(C(=O)[O-])=CN1 ZINC000084668498 562747673 /nfs/dbraw/zinc/74/76/73/562747673.db2.gz RVBHWRBXUWZGKP-AQDCRGGLSA-N -1 0 504.366 4.778 1 0 KJAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2cc(Cl)cc(Cl)c2)C(C(=O)[O-])=CN1 ZINC000084668499 562747670 /nfs/dbraw/zinc/74/76/70/562747670.db2.gz RVBHWRBXUWZGKP-ZGBFETHSSA-N -1 0 504.366 4.778 1 0 KJAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)[O-])=CN1 ZINC000084668500 562747638 /nfs/dbraw/zinc/74/76/38/562747638.db2.gz QEKZJHDIOBYDIK-AQDCRGGLSA-N -1 0 504.366 4.778 1 0 KJAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)[O-])=CN1 ZINC000084668501 562747671 /nfs/dbraw/zinc/74/76/71/562747671.db2.gz QEKZJHDIOBYDIK-ZGBFETHSSA-N -1 0 504.366 4.778 1 0 KJAFRM CS(=O)(=O)c1ccccc1C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)[O-] ZINC000084669998 562748163 /nfs/dbraw/zinc/74/81/63/562748163.db2.gz WKGAXYJCUWQUOB-NRFANRHFSA-N -1 0 609.915 4.675 1 0 KJAFRM CN(C)S(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084670001 562748143 /nfs/dbraw/zinc/74/81/43/562748143.db2.gz QQSAZMAJLFVCGT-DEOSSOPVSA-N -1 0 644.533 4.614 1 0 KJAFRM CS(=O)(=O)c1cc(F)cc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084670133 562748202 /nfs/dbraw/zinc/74/82/02/562748202.db2.gz JBBDDNUWYXTKTL-QHCPKHFHSA-N -1 0 633.481 4.906 1 0 KJAFRM CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)[O-])cc1 ZINC000084670365 562748225 /nfs/dbraw/zinc/74/82/25/562748225.db2.gz YAPIRWIJBXRQKZ-QFIPXVFZSA-N -1 0 609.915 4.675 1 0 KJAFRM O=C([O-])[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084671166 562748459 /nfs/dbraw/zinc/74/84/59/562748459.db2.gz XUISHROIRBHOIM-QFIPXVFZSA-N -1 0 514.409 4.794 1 0 KJAFRM O=C([O-])c1c(=O)[nH]c(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccccc1 ZINC000084671456 562748571 /nfs/dbraw/zinc/74/85/71/562748571.db2.gz QIVUVBUEZZLJIY-UHFFFAOYSA-N -1 0 624.462 4.593 1 0 KJAFRM COc1cccc([C@H]2O[C@H](CCn3nnc(C4(C(=O)[O-])CC4)n3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084671578 562748567 /nfs/dbraw/zinc/74/85/67/562748567.db2.gz HHDMKDNLKZRQJA-FYYLOGMGSA-N -1 0 535.988 4.502 1 0 KJAFRM CC[C@H]1CCCC[C@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000084672405 562748793 /nfs/dbraw/zinc/74/87/93/562748793.db2.gz JLRDMSUQFUWACS-RORDBKJESA-N -1 0 639.742 4.666 1 0 in-vitro KJAFRM CC[C@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000084687602 562748955 /nfs/dbraw/zinc/74/89/55/562748955.db2.gz JLRDMSUQFUWACS-HHEUQNFPSA-N -1 0 639.742 4.666 1 0 KJAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084687910 562749024 /nfs/dbraw/zinc/74/90/24/562749024.db2.gz UQHLUAWEIKVPBH-RRPNLBNLSA-N -1 0 679.719 4.674 1 0 KJAFRM O=C([O-])CN(C[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000084687956 562749019 /nfs/dbraw/zinc/74/90/19/562749019.db2.gz NYEGSLBOERXGQG-AKJBCIBTSA-N -1 0 550.505 4.866 1 0 KJAFRM O=C([O-])CN(C[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000084687957 562749046 /nfs/dbraw/zinc/74/90/46/562749046.db2.gz NYEGSLBOERXGQG-DXPJPUQTSA-N -1 0 550.505 4.866 1 0 KJAFRM CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000084688457 562749202 /nfs/dbraw/zinc/74/92/02/562749202.db2.gz JLRDMSUQFUWACS-XACWCOMZSA-N -1 0 639.742 4.666 1 0 in-vitro KJAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084689797 562749397 /nfs/dbraw/zinc/74/93/97/562749397.db2.gz KJOHCQSXVVYRRQ-IZZNHLLZSA-N -1 0 670.762 4.531 1 0 KJAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(F)cc(F)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084690487 562749598 /nfs/dbraw/zinc/74/95/98/562749598.db2.gz KBBJHTXSCSXDMI-RRPNLBNLSA-N -1 0 633.666 4.906 1 0 KJAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084703637 562749781 /nfs/dbraw/zinc/74/97/81/562749781.db2.gz CJWQEWHQGBRSST-RRPNLBNLSA-N -1 0 657.738 4.645 1 0 KJAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CC(C(=O)[O-])C3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084703826 562749806 /nfs/dbraw/zinc/74/98/06/562749806.db2.gz IJKJQBHKXCIZKV-RCZVLFRGSA-N -1 0 510.974 4.632 1 0 KJAFRM COc1cccc([C@H]2O[C@H](CCn3nnc(C(C)(C)C(=O)[O-])n3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084704197 562749853 /nfs/dbraw/zinc/74/98/53/562749853.db2.gz DPUFYRLHXKDAMT-FYYLOGMGSA-N -1 0 538.004 4.748 1 0 KJAFRM CCC(C)(C)C(=O)C(=O)N1CC=CC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000084707603 562750115 /nfs/dbraw/zinc/75/01/15/562750115.db2.gz KEGHLZHAGBOBCV-LOSJGSFVSA-N -1 0 581.662 4.547 1 0 KJAFRM COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)[O-])cs3)c2)cc1 ZINC000084709288 562750307 /nfs/dbraw/zinc/75/03/07/562750307.db2.gz DWLBFFMLIQEQIV-ORMBLBCUSA-N -1 0 524.664 4.760 1 0 KJAFRM CN1C/C=C/CCNC(=O)Cn2c3cc(ccc3c(C3CCCCC3)c2-c2ccoc2)C(=O)[N-]S1(=O)=O ZINC000084710239 562750484 /nfs/dbraw/zinc/75/04/84/562750484.db2.gz MLAQXRRWSYYBIG-XVNBXDOJSA-N -1 0 524.643 4.506 1 0 KJAFRM CN1CCCCCNC(=O)Cn2c3cc(ccc3c(C3CCCCC3)c2-c2ccoc2)C(=O)[N-]S1(=O)=O ZINC000084710241 562750462 /nfs/dbraw/zinc/75/04/62/562750462.db2.gz OLRIZJFQQRRDDF-UHFFFAOYSA-N -1 0 526.659 4.730 1 0 KJAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084711351 562750673 /nfs/dbraw/zinc/75/06/73/562750673.db2.gz CQAQXBDVMQFNRY-RRPNLBNLSA-N -1 0 615.676 4.767 1 0 KJAFRM COc1cccc([C@H]2O[C@H](CCn3nnc(COC(C)(C)C(=O)[O-])n3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084712249 562750739 /nfs/dbraw/zinc/75/07/39/562750739.db2.gz AOKGZIBSTKKHRB-RCZVLFRGSA-N -1 0 568.030 4.765 1 0 KJAFRM O=C([O-])[C@@H]1CSc2c(-c3cn(CC4CC4)nn3)c(Cc3cccc4ccccc43)c(Br)c(=O)n21 ZINC000084712563 562750824 /nfs/dbraw/zinc/75/08/24/562750824.db2.gz BBNCADLJYPVJMH-FQEVSTJZSA-N -1 0 537.439 4.755 1 0 KJAFRM COc1cccc([C@H]2O[C@H](CCn3nncc3CC(=O)[O-])c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084713011 562750860 /nfs/dbraw/zinc/75/08/60/562750860.db2.gz ZMOPEYXEAWNURN-RCZVLFRGSA-N -1 0 508.962 4.618 1 0 KJAFRM COc1cccc([C@H]2O[C@H](CCn3cc(COCC(=O)[O-])nn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084713013 562750865 /nfs/dbraw/zinc/75/08/65/562750865.db2.gz OAEBKPQXBOGTND-ZEQKJWHPSA-N -1 0 538.988 4.592 1 0 KJAFRM COc1ccc2c(c1)C[C@H]1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CCOCCN(C)C1=O ZINC000084714170 562750958 /nfs/dbraw/zinc/75/09/58/562750958.db2.gz JYIVMQPLCGSFGI-DEOSSOPVSA-N -1 0 608.761 4.507 1 0 KJAFRM O=C([O-])c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 ZINC000084725658 562751296 /nfs/dbraw/zinc/75/12/96/562751296.db2.gz PNAPUQSCDLKDBJ-BJIJGURPSA-N -1 0 535.647 4.892 1 0 KJAFRM CN1CCCCNC(=O)COc2ccccc2-c2c(C3CCCCC3)c3ccc(cc3n2C)C(=O)[N-]S1(=O)=O ZINC000084727670 562751412 /nfs/dbraw/zinc/75/14/12/562751412.db2.gz ZUYDRWRUHZVIRN-UHFFFAOYSA-N -1 0 552.697 4.663 1 0 KJAFRM COc1ccc2c(c1)[C@@H]1C[C@]13Cn1c4cc(ccc4c(C4CCCCC4)c1-2)C(=O)[N-]S(=O)(=O)N(C)CCOCCN(C)C3=O ZINC000084727892 562751399 /nfs/dbraw/zinc/75/13/99/562751399.db2.gz QVTAODDAKLWTED-CMVGPNDKSA-N -1 0 620.772 4.822 1 0 KJAFRM CO[C@H]1Sc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc43)cc(=O)n2[C@@H]1C(=O)[O-] ZINC000084728987 562751493 /nfs/dbraw/zinc/75/14/93/562751493.db2.gz ASGWEIYBUWVPDZ-SQHAQQRYSA-N -1 0 503.532 4.680 1 0 KJAFRM COc1ccc2c(c1)[C@@H]1C[C@@]13Cn1c4cc(ccc4c(C4CCCCC4)c1-2)C(=O)[N-]S(=O)(=O)N(C)CCOCCN(C)C3=O ZINC000084729174 562751476 /nfs/dbraw/zinc/75/14/76/562751476.db2.gz QVTAODDAKLWTED-VCTRWQRLSA-N -1 0 620.772 4.822 1 0 KJAFRM COc1ccc2c(c1)[C@H]1C[C@@]13Cn1c4cc(ccc4c(C4CCCCC4)c1-2)C(=O)[N-]S(=O)(=O)N(C)CCOCCN(C)C3=O ZINC000084729175 562751515 /nfs/dbraw/zinc/75/15/15/562751515.db2.gz QVTAODDAKLWTED-ZORMNXRFSA-N -1 0 620.772 4.822 1 0 KJAFRM CC(=O)c1c(C)c(O)c2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COC[C@H]7CC8(CCCC8)C[C@@H]5[C@@H]76)CO4)[C@H](O)[C@H]3O)c2c1O ZINC000085511125 291858784 /nfs/dbraw/zinc/85/87/84/291858784.db2.gz MSKWSFRHFLUSJK-RAXCEGMGSA-N -1 0 732.823 4.543 1 0 biogenic,in-vitro KJAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COCC[C@H]6[C@@H]5C)CO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511404 291879390 /nfs/dbraw/zinc/87/93/90/291879390.db2.gz IQISVQSMJXWQEY-MPCDIALUSA-N -1 0 726.819 4.890 1 0 biogenic,in-vitro KJAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)C[C@@H]1c2ccccc2[C@@H]2C[C@H]1C=C[C@@H]2c1ccccc1 ZINC000085511458 291879238 /nfs/dbraw/zinc/87/92/38/291879238.db2.gz JDPXHKMRQFXRLV-BEYPWWHBSA-N -1 0 666.723 4.544 1 0 biogenic,in-vitro KJAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)C[C@H]1c2ccccc2[C@H]2C[C@@H]1CC[C@H]2c1ccccc1 ZINC000085511461 291879245 /nfs/dbraw/zinc/87/92/45/291879245.db2.gz ZPRXGMLEOSNTCR-QHXGPKKCSA-N -1 0 668.739 4.768 1 0 biogenic,in-vitro KJAFRM CC[C@]1(O)[C@H](O)[C@@H](O)[C@H](Oc2cc(C(=O)[O-])cc3cc(C)c(C(=O)C[C@H]4CC[C@@H](Cc5ccccc5)c5ccccc54)c(O)c32)O[C@@H]1CO ZINC000085511502 565135119 /nfs/dbraw/zinc/13/51/19/565135119.db2.gz DXQZXQUIHSBKBF-ZKAWAKRZSA-N -1 0 670.755 4.988 1 0 biogenic,in-vitro KJAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CC[C@@H](C)[C@H]4CCOCC45CCCC5)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511556 291879242 /nfs/dbraw/zinc/87/92/42/291879242.db2.gz XUPFIUXEIPVTOU-QWYLVJCBSA-N -1 0 706.829 4.930 1 0 biogenic,in-vitro KJAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](C4(O)CCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1 ZINC000085511601 291879251 /nfs/dbraw/zinc/87/92/51/291879251.db2.gz PXRYMTGTNDMYJI-XAPMQAIDSA-N -1 0 670.755 4.644 1 0 biogenic,in-vitro KJAFRM C[C@H]1[C@]2(O)C[C@H](O)[C@]3(CO)[C@]1(CO2)CC[C@@H]1[C@@]2(C)CC[C@@]4(C)CC[C@@](C)(C(=O)[O-])C[C@H]4[C@]2(C)CC[C@]13C ZINC000085530726 291877774 /nfs/dbraw/zinc/87/77/74/291877774.db2.gz OFJBEEKWIVBJST-KKKCCWTNSA-N -1 0 518.735 4.985 1 0 biogenic,in-vitro KJAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(OCCCO)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569398 560069982 /nfs/dbraw/zinc/06/99/82/560069982.db2.gz IJACFJUABNBPAA-UHFFFAOYSA-N -1 0 506.551 4.833 1 0 biogenic,in-vitro KJAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(O[C@H](CO)CCCO)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569400 560069978 /nfs/dbraw/zinc/06/99/78/560069978.db2.gz XPPUDRVTLBKZGZ-DEOSSOPVSA-N -1 0 534.605 4.878 1 0 biogenic,in-vitro KJAFRM COC(C)(C)[C@H](O)[C@@H](O)C[C@H](C)[C@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2C[C@H](ON[C@H](C=O)CCC(=O)[O-])[C@@]13C ZINC000095099078 518036261 /nfs/dbraw/zinc/03/62/61/518036261.db2.gz NNSBGGZLWSDMDU-JSRDXWKLSA-N -1 0 635.883 4.891 1 0 biogenic,in-vitro KJAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095099384 565173110 /nfs/dbraw/zinc/17/31/10/565173110.db2.gz QUBNLZCADIYAFW-OQGYDJTASA-N -1 0 604.825 4.669 1 0 biogenic,in-vitro KJAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000095099386 291859731 /nfs/dbraw/zinc/85/97/31/291859731.db2.gz QUBNLZCADIYAFW-KUAOYTDGSA-N -1 0 604.825 4.669 1 0 biogenic,in-vitro KJAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095099387 565173128 /nfs/dbraw/zinc/17/31/28/565173128.db2.gz QUBNLZCADIYAFW-QDQWWNNGSA-N -1 0 604.825 4.669 1 0 biogenic,in-vitro KJAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000095099388 565173150 /nfs/dbraw/zinc/17/31/50/565173150.db2.gz QUBNLZCADIYAFW-ZHWLQCGJSA-N -1 0 604.825 4.669 1 0 biogenic,in-vitro KJAFRM CC(=O)O[C@H]1[C@@H]2[C@@H](O[C@H]3CC=C(C(=O)[O-])C(=O)N3C)[C@]3(OC2(C)C)[C@@](C)(O)C[C@H](Cc2ccccc2)C[C@@]3(C)[C@H]1OCc1ccccc1 ZINC000095485997 291858463 /nfs/dbraw/zinc/85/84/63/291858463.db2.gz COKFTZFUDOVCRL-LEISQZETSA-N -1 0 661.792 4.675 1 0 biogenic,in-vitro KJAFRM O=C([O-])CCCCC[C@@H]1NC(=O)[C@H](Cc2c(F)c(F)c(F)c(F)c2F)NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccc3ccccc32)NC1=O ZINC000095536745 562754066 /nfs/dbraw/zinc/75/40/66/562754066.db2.gz SIZHTDBLXAPBAY-DFZCOPKLSA-N -1 0 782.763 4.647 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(-c2cc(OC)c(OC)c(OC)c2)nc1OCCNS(=O)(=O)c1cccs1 ZINC000095538101 562754481 /nfs/dbraw/zinc/75/44/81/562754481.db2.gz GBJIVPGNFQWBRC-UHFFFAOYSA-N -1 0 743.842 4.893 1 0 KJAFRM NC(=O)C1(NC(=O)[C@@H](CCCC(=O)[O-])NC(=O)[C@@H](CCCCNC(=O)/C=C/c2cccnc2)NC(=O)c2ccc(Nc3nc4ccccc4s3)cc2)CCCCC1 ZINC000095540646 562755886 /nfs/dbraw/zinc/75/58/86/562755886.db2.gz RPYHKNXKWKZJCZ-YCKQIAHZSA-N -1 0 796.951 4.577 1 0 KJAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095541420 562756083 /nfs/dbraw/zinc/75/60/83/562756083.db2.gz LLYJTSQEQHRKSW-QXUSSCGESA-N -1 0 792.886 4.624 1 0 KJAFRM CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(N)=O)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000095542226 562756576 /nfs/dbraw/zinc/75/65/76/562756576.db2.gz IWKAGXRLPMMLRK-UHFFFAOYSA-N -1 0 791.927 4.530 1 0 KJAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000095542475 562756758 /nfs/dbraw/zinc/75/67/58/562756758.db2.gz ZKALUTXZNGDPCY-VWLOTQADSA-N -1 0 736.635 4.610 1 0 KJAFRM COc1ccccc1CCNC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000095542519 562756780 /nfs/dbraw/zinc/75/67/80/562756780.db2.gz BILNSZDVZCHXSZ-GVBYMILNSA-N -1 0 749.865 4.811 1 0 KJAFRM CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)[O-])c2ccccc2)CC(C)C)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000095542615 562756851 /nfs/dbraw/zinc/75/68/51/562756851.db2.gz ZGAGKQFSGHBIGV-JVLQLMMJSA-N -1 0 770.722 4.892 1 0 KJAFRM CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)[O-])c2ccccc2)CC(C)C)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000095542616 562756856 /nfs/dbraw/zinc/75/68/56/562756856.db2.gz ZGAGKQFSGHBIGV-AXJWHKOCSA-N -1 0 770.722 4.892 1 0 KJAFRM COc1ccc(CCNC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 ZINC000095547505 562758763 /nfs/dbraw/zinc/75/87/63/562758763.db2.gz MFUSEKCCGCHOBJ-ZTJXOPACSA-N -1 0 749.865 4.811 1 0 KJAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(CSCCO)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000095548803 562759514 /nfs/dbraw/zinc/75/95/14/562759514.db2.gz NHKISFOFSVKHPH-SQDZOXHUSA-N -1 0 820.088 4.846 1 0 KJAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000095549065 562759712 /nfs/dbraw/zinc/75/97/12/562759712.db2.gz ZRTZKIHGMMJZSE-KFXLATFZSA-N -1 0 773.994 4.767 1 0 KJAFRM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000095549223 562759815 /nfs/dbraw/zinc/75/98/15/562759815.db2.gz OPNFXJNSGPPNQF-UHFFFAOYSA-N -1 0 791.927 4.530 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(SC)cn1 ZINC000095552604 562760725 /nfs/dbraw/zinc/76/07/25/562760725.db2.gz JOBIZVVLDQEHKD-UHFFFAOYSA-N -1 0 647.739 4.689 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(Br)cn1 ZINC000095553197 562760896 /nfs/dbraw/zinc/76/08/96/562760896.db2.gz VAXUKYCSAUELNZ-UHFFFAOYSA-N -1 0 652.487 4.546 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(C(F)(F)F)cn1 ZINC000095554322 562761214 /nfs/dbraw/zinc/76/12/14/562761214.db2.gz BTPMMVWQHRCMQR-UHFFFAOYSA-N -1 0 669.642 4.986 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)Cc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(Br)cn1 ZINC000095554696 562761404 /nfs/dbraw/zinc/76/14/04/562761404.db2.gz CUPYKYWQFHCUJZ-UHFFFAOYSA-N -1 0 666.514 4.687 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(Cl)cn1 ZINC000095554993 562761441 /nfs/dbraw/zinc/76/14/41/562761441.db2.gz RJXHHVXIVAHBHS-UHFFFAOYSA-N -1 0 636.090 4.620 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(Br)cn1 ZINC000095555792 562761595 /nfs/dbraw/zinc/76/15/95/562761595.db2.gz DEOGRJUDPLWPSR-UHFFFAOYSA-N -1 0 680.541 4.729 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(C2CC2)cn1 ZINC000095557554 562762133 /nfs/dbraw/zinc/76/21/33/562762133.db2.gz CFOMGVYXSNFELK-UHFFFAOYSA-N -1 0 641.710 4.844 1 0 KJAFRM CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C(/CC(=O)[O-])C(=O)[O-] ZINC000095557757 562762194 /nfs/dbraw/zinc/76/21/94/562762194.db2.gz CBXCNCWCPJOWIG-FSRGMCFTSA-N -1 0 636.742 4.668 1 0 KJAFRM O=C([O-])CCc1ccccc1C(=O)N1C(=O)CC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000095561109 562763241 /nfs/dbraw/zinc/76/32/41/562763241.db2.gz MYUMNTLHROMWII-QHCPKHFHSA-N -1 0 509.603 4.676 1 0 KJAFRM O=C([O-])CCc1ccccc1C(=O)N1C(=O)CC[C@@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000095561110 562763276 /nfs/dbraw/zinc/76/32/76/562763276.db2.gz MYUMNTLHROMWII-HSZRJFAPSA-N -1 0 509.603 4.676 1 0 KJAFRM COc1cc(OC)c(S(=O)(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)cc1NC(=O)CCC(=O)[O-] ZINC000095562481 562763729 /nfs/dbraw/zinc/76/37/29/562763729.db2.gz KSPFXCDJIGBEQP-UHFFFAOYSA-N -1 0 512.584 4.651 1 0 KJAFRM COc1ccccc1S(=O)(=O)[N-]c1cc(-c2cc3n[nH]cc3c(NC(=O)c3csc(CN4C[C@@H](C)O[C@@H](C)C4)n3)c2)cnc1OC ZINC000095564487 562764335 /nfs/dbraw/zinc/76/43/35/562764335.db2.gz GKVTXLPUOJSFHF-KDURUIRLSA-N -1 0 663.782 4.761 1 0 KJAFRM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000095570872 562768562 /nfs/dbraw/zinc/76/85/62/562768562.db2.gz ZVBRWALMWNTHNS-PMAPCBKXSA-N -1 0 640.706 4.952 1 0 KJAFRM Cc1nnn(-c2ccc(-c3ccc(C4(C(=O)[N-]S(C)(=O)=O)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1 ZINC000095572689 541107611 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HEWISADZOXYZPA-LGEMSOLVSA-N -1 0 518.735 4.656 1 0 biogenic,in-vitro KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1ccc(OC)cc1F)c2=O ZINC000096169960 562790947 /nfs/dbraw/zinc/79/09/47/562790947.db2.gz GFFNNVTXYHZMSR-UHFFFAOYSA-N -1 0 612.639 4.876 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O ZINC000096169962 562790980 /nfs/dbraw/zinc/79/09/80/562790980.db2.gz GXQLVOMQUIUSHT-UHFFFAOYSA-N -1 0 612.639 4.876 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1nc3ccccc3n1C)c2=O ZINC000096169977 562790968 /nfs/dbraw/zinc/79/09/68/562790968.db2.gz LPOXFSOKZYFXPG-UHFFFAOYSA-N -1 0 618.675 4.615 1 0 KJAFRM CC(C)(C)[C@H](O)Cn1c(=O)c2cc(C3CC3)sc2n(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c1=O ZINC000096169979 562790924 /nfs/dbraw/zinc/79/09/24/562790924.db2.gz MWTALFMKVVWOCO-XMMPIXPASA-N -1 0 558.660 4.568 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(C[C@H](O)c1ccc(OC)cc1)c2=O ZINC000096169985 562790993 /nfs/dbraw/zinc/79/09/93/562790993.db2.gz ZFLDKJDSQBCUEX-MHZLTWQESA-N -1 0 614.655 4.727 1 0 KJAFRM CC(C)(C)C(=O)Cn1c(=O)c2cc(C3CC3)sc2n(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c1=O ZINC000096169992 562791033 /nfs/dbraw/zinc/79/10/33/562791033.db2.gz PFILJUFPSYOJRO-UHFFFAOYSA-N -1 0 556.644 4.776 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccc(F)cc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O ZINC000096169996 562791028 /nfs/dbraw/zinc/79/10/28/562791028.db2.gz DXUGMBUGECOZTQ-UHFFFAOYSA-N -1 0 612.639 4.876 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3cc(F)ccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O ZINC000096169997 562791024 /nfs/dbraw/zinc/79/10/24/562791024.db2.gz VXCLPEQCTVHDHX-UHFFFAOYSA-N -1 0 612.639 4.876 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)C1CCCCC1)c2=O ZINC000096169998 562791013 /nfs/dbraw/zinc/79/10/13/562791013.db2.gz IVXUEUCRVKGGFZ-UHFFFAOYSA-N -1 0 570.671 4.995 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1ccccc1)c2=O ZINC000096169999 562791002 /nfs/dbraw/zinc/79/10/02/562791002.db2.gz IBVFZXQMHCXGPF-UHFFFAOYSA-N -1 0 564.623 4.729 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1cccs1)c2=O ZINC000096170004 562790988 /nfs/dbraw/zinc/79/09/88/562790988.db2.gz DYQUTHANMIPNLI-UHFFFAOYSA-N -1 0 570.652 4.790 1 0 KJAFRM O=C([O-])CCNC(=O)c1ccc([C@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C2CCCC2)cc1 ZINC000096170476 562791154 /nfs/dbraw/zinc/79/11/54/562791154.db2.gz KZWVSKJOXJGUQM-HSZRJFAPSA-N -1 0 501.509 4.834 1 0 KJAFRM O=C([O-])CCNC(=O)c1ccc([C@@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C2CCCC2)cc1 ZINC000096170477 562791135 /nfs/dbraw/zinc/79/11/35/562791135.db2.gz KZWVSKJOXJGUQM-QHCPKHFHSA-N -1 0 501.509 4.834 1 0 KJAFRM Cc1cc(N[C@@H](CC(C)C)c2ccc(C(=O)NCCC(=O)[O-])cc2)cnc1-n1cc(C(F)(F)F)cn1 ZINC000096170480 562791160 /nfs/dbraw/zinc/79/11/60/562791160.db2.gz HWVPKJAIAFMSII-NRFANRHFSA-N -1 0 503.525 4.998 1 0 KJAFRM Cc1cc(N[C@H](CC(C)C)c2ccc(C(=O)NCCC(=O)[O-])cc2)cnc1-n1cc(C(F)(F)F)cn1 ZINC000096170481 562791141 /nfs/dbraw/zinc/79/11/41/562791141.db2.gz HWVPKJAIAFMSII-OAQYLSRUSA-N -1 0 503.525 4.998 1 0 KJAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1N)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171970 562791193 /nfs/dbraw/zinc/79/11/93/562791193.db2.gz PQWLBCZVLOHKPP-GCDLXZGJSA-N -1 0 611.824 4.964 1 0 KJAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(N)c1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171971 562791209 /nfs/dbraw/zinc/79/12/09/562791209.db2.gz AYNNLJQUTJDIEG-BPBHNCSOSA-N -1 0 611.824 4.964 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(CC(C)(C)C)c2nc(C)nn21 ZINC000096178217 562792505 /nfs/dbraw/zinc/79/25/05/562792505.db2.gz BDKCPXPMEGDFEK-UHFFFAOYSA-N -1 0 512.614 4.799 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(Cc2ccc(F)cc2)c2ncnn21 ZINC000096178218 562792497 /nfs/dbraw/zinc/79/24/97/562792497.db2.gz OQELBAUWFHCSLJ-UHFFFAOYSA-N -1 0 536.567 4.632 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(Cc2ccc(F)cc2)c2nc(C)nn21 ZINC000096178219 562792520 /nfs/dbraw/zinc/79/25/20/562792520.db2.gz BKKCJJIPELGQME-UHFFFAOYSA-N -1 0 550.594 4.940 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(Cc2ccc(CC)nc2)c2nc(C)nn21 ZINC000096178220 562792524 /nfs/dbraw/zinc/79/25/24/562792524.db2.gz BYAKRUCOBXXWRE-UHFFFAOYSA-N -1 0 561.646 4.759 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(Cc2ccc(C(C)=O)cc2)c2ncnn21 ZINC000096178224 562792529 /nfs/dbraw/zinc/79/25/29/562792529.db2.gz XULNPMYWNNDBGY-UHFFFAOYSA-N -1 0 560.614 4.696 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(Cc2ccc(OC)cc2OC)c2ncnn21 ZINC000096178226 562792522 /nfs/dbraw/zinc/79/25/22/562792522.db2.gz ALLLHFRXGANKBS-UHFFFAOYSA-N -1 0 596.619 4.649 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(CC2(C)CC2)c2nc(C)nn21 ZINC000096178230 562792544 /nfs/dbraw/zinc/79/25/44/562792544.db2.gz JIDXEERWAWKOAA-UHFFFAOYSA-N -1 0 510.598 4.553 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(C2CCSCC2)c2nc(C)nn21 ZINC000096178239 562792601 /nfs/dbraw/zinc/79/26/01/562792601.db2.gz SCMJNQALJSOOGD-UHFFFAOYSA-N -1 0 560.655 4.960 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2CCOC(C)(C)C2)c2ncnn21 ZINC000096178252 562792553 /nfs/dbraw/zinc/79/25/53/562792553.db2.gz LLZQQLZVYFTVML-JOCHJYFZSA-N -1 0 554.651 4.965 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CCOC(C)(C)C2)c2ncnn21 ZINC000096178253 562792611 /nfs/dbraw/zinc/79/26/11/562792611.db2.gz LLZQQLZVYFTVML-QFIPXVFZSA-N -1 0 554.651 4.965 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(C2CCOCC2)c2nc(C)nn21 ZINC000096178254 562792561 /nfs/dbraw/zinc/79/25/61/562792561.db2.gz GVLIQIVLGVJMFI-UHFFFAOYSA-N -1 0 558.614 4.634 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OC)CC2)c2ncnn21 ZINC000096178266 562792599 /nfs/dbraw/zinc/79/25/99/562792599.db2.gz DWTPNLGNPSAZTF-UHFFFAOYSA-N -1 0 554.651 4.965 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OC)CC2)c2ncnn21 ZINC000096178268 562792571 /nfs/dbraw/zinc/79/25/71/562792571.db2.gz ORPJDQNJVCXPEH-UHFFFAOYSA-N -1 0 540.624 4.575 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2CCO[C@H](C)C2)c2ncnn21 ZINC000096178271 562792575 /nfs/dbraw/zinc/79/25/75/562792575.db2.gz FTOXBHNSFAJYQD-DENIHFKCSA-N -1 0 540.624 4.575 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CCO[C@H](C)C2)c2ncnn21 ZINC000096178272 562792597 /nfs/dbraw/zinc/79/25/97/562792597.db2.gz FTOXBHNSFAJYQD-KNQAVFIVSA-N -1 0 540.624 4.575 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2CCO[C@@H](C)C2)c2ncnn21 ZINC000096178273 562792591 /nfs/dbraw/zinc/79/25/91/562792591.db2.gz FTOXBHNSFAJYQD-SIKLNZKXSA-N -1 0 540.624 4.575 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CCO[C@@H](C)C2)c2ncnn21 ZINC000096178274 562792630 /nfs/dbraw/zinc/79/26/30/562792630.db2.gz FTOXBHNSFAJYQD-UGKGYDQZSA-N -1 0 540.624 4.575 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)OCCCO3)c2ncnn21 ZINC000096178321 562792634 /nfs/dbraw/zinc/79/26/34/562792634.db2.gz QVQGECJQNMJCPQ-UHFFFAOYSA-N -1 0 582.661 4.693 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)OC(=O)C(C)(C)O3)c2ncnn21 ZINC000096178323 562792659 /nfs/dbraw/zinc/79/26/59/562792659.db2.gz DILBTNRCKIFWLR-UHFFFAOYSA-N -1 0 610.671 4.608 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)OCCO3)c2nc(C)nn21 ZINC000096178324 562792666 /nfs/dbraw/zinc/79/26/66/562792666.db2.gz UYRUONLGWLWXSU-UHFFFAOYSA-N -1 0 582.661 4.611 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(C(C)(C)O)CC2)c2ncnn21 ZINC000096178368 562792638 /nfs/dbraw/zinc/79/26/38/562792638.db2.gz HXWAPTSLHXUNKA-UHFFFAOYSA-N -1 0 568.678 4.947 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCN(c3ccc(O)cc3)CC2)c2ncnn21 ZINC000096178371 562792642 /nfs/dbraw/zinc/79/26/42/562792642.db2.gz FGUSNDXUJQSAAN-UHFFFAOYSA-N -1 0 603.683 4.992 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OC[C@H](C)O)CC2)c2ccnn21 ZINC000096178377 562792687 /nfs/dbraw/zinc/79/26/87/562792687.db2.gz HJLVKXPZXWUDTP-ANYOXOOPSA-N -1 0 583.689 4.931 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OC[C@@H](C)O)CC2)c2ccnn21 ZINC000096178378 562792683 /nfs/dbraw/zinc/79/26/83/562792683.db2.gz HJLVKXPZXWUDTP-BURHJUHKSA-N -1 0 583.689 4.931 1 0 KJAFRM O=C([O-])C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000096258537 562792892 /nfs/dbraw/zinc/79/28/92/562792892.db2.gz NYOWHLFZRKAXFQ-HXUWFJFHSA-N -1 0 533.484 4.595 1 0 KJAFRM O=C([O-])C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000096258538 562792902 /nfs/dbraw/zinc/79/29/02/562792902.db2.gz NYOWHLFZRKAXFQ-FQEVSTJZSA-N -1 0 533.484 4.595 1 0 KJAFRM Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)[O-])c1 ZINC000096269882 562793064 /nfs/dbraw/zinc/79/30/64/562793064.db2.gz PSCSPRXNTYPGSP-PIKZIKFNSA-N -1 0 538.618 4.939 1 0 KJAFRM Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)[O-])c1 ZINC000096269883 562793062 /nfs/dbraw/zinc/79/30/62/562793062.db2.gz PSCSPRXNTYPGSP-LYZGTLIUSA-N -1 0 538.618 4.939 1 0 KJAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN3CCC[C@@H]3C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270840 562793376 /nfs/dbraw/zinc/79/33/76/562793376.db2.gz PONARRZYCQPRIZ-KODFZCBSSA-N -1 0 514.688 4.550 1 0 KJAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC[P@@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270857 562793421 /nfs/dbraw/zinc/79/34/21/562793421.db2.gz YWGSHVRWIRHOKZ-JWQCQUIFSA-N -1 0 509.605 4.611 1 0 KJAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN3CCC[C@H]3C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270875 562793453 /nfs/dbraw/zinc/79/34/53/562793453.db2.gz PONARRZYCQPRIZ-DANFDKMISA-N -1 0 514.688 4.550 1 0 KJAFRM CC(C)(C)C1=NO[C@@](C)(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])C1 ZINC000096271088 562793694 /nfs/dbraw/zinc/79/36/94/562793694.db2.gz ZZQVVTQOTXKPIG-AVRWGWEMSA-N -1 0 520.413 4.939 1 0 KJAFRM COc1cccc(OC)c1C1=NO[C@@](C)(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])C1 ZINC000096271097 562793697 /nfs/dbraw/zinc/79/36/97/562793697.db2.gz WCFJGBKSAFVGBA-AFJIDDCJSA-N -1 0 600.455 4.958 1 0 KJAFRM COc1ccc(C2=NO[C@@](C)(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])C2)cc1OC ZINC000096271098 562793698 /nfs/dbraw/zinc/79/36/98/562793698.db2.gz XBGGGQXCSZSXPP-KCWXNJEJSA-N -1 0 600.455 4.958 1 0 KJAFRM COc1ccccc1C1=NO[C@@](C)(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])C1 ZINC000096271099 562793701 /nfs/dbraw/zinc/79/37/01/562793701.db2.gz XCAHCYCIROCQHV-RBTNQOKQSA-N -1 0 570.429 4.950 1 0 KJAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccccc2)=NO1 ZINC000096271103 562793684 /nfs/dbraw/zinc/79/36/84/562793684.db2.gz NFPVFKFQQWVUHN-KDYSTLNUSA-N -1 0 540.403 4.941 1 0 KJAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccccc2)=NO1 ZINC000096271104 562793689 /nfs/dbraw/zinc/79/36/89/562793689.db2.gz NFPVFKFQQWVUHN-IDISGSTGSA-N -1 0 540.403 4.941 1 0 KJAFRM CCN(CC)c1ncc(N(CC)c2cccnc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273504 562794503 /nfs/dbraw/zinc/79/45/03/562794503.db2.gz XZFJCAFPBMJEOX-DEOSSOPVSA-N -1 0 547.660 4.578 1 0 KJAFRM CCN(CC)c1ncc(N(CC)C(=O)NCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273510 562794505 /nfs/dbraw/zinc/79/45/05/562794505.db2.gz JVVBWVZYFIVRCL-SANMLTNESA-N -1 0 603.724 4.761 1 0 KJAFRM CCN(CC)c1ncc(N(CC)C(=O)NCCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273511 562794507 /nfs/dbraw/zinc/79/45/07/562794507.db2.gz AWGJFTQNOSRFEP-MHZLTWQESA-N -1 0 617.751 4.804 1 0 KJAFRM CCN(CC)c1ncc(N(CC)c2ccccn2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273517 562794556 /nfs/dbraw/zinc/79/45/56/562794556.db2.gz JXLQTKNDLMYWSD-QHCPKHFHSA-N -1 0 547.660 4.578 1 0 KJAFRM CCN(CC)c1ncc(N(CC)C(=O)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273522 562794539 /nfs/dbraw/zinc/79/45/39/562794539.db2.gz LTQGACDEOSCTBA-VWLOTQADSA-N -1 0 592.672 4.831 1 0 KJAFRM CCN(CC)c1ncc(N(CC)C(=O)c2cccc(F)c2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273525 562794537 /nfs/dbraw/zinc/79/45/37/562794537.db2.gz ROZGMDLHPFOJJF-VWLOTQADSA-N -1 0 592.672 4.831 1 0 KJAFRM CCN(CC)c1ncc(N(CC)C(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273527 562794546 /nfs/dbraw/zinc/79/45/46/562794546.db2.gz DLBRECLYCZAQOF-VWLOTQADSA-N -1 0 592.672 4.831 1 0 KJAFRM CC(C)(C)OC(=O)n1c(NCc2ccc(C(=O)Nc3ccccc3N)cc2)nc([O-])c1Cc1c[nH]c2ccccc12 ZINC000096273679 562794583 /nfs/dbraw/zinc/79/45/83/562794583.db2.gz AMDUCWJBYRMCNV-AREMUKBSSA-N -1 0 552.635 4.837 1 0 KJAFRM CC(C)(C)OC(=O)n1c(NCc2ccc(C(=O)Nc3ccccc3N)cc2)nc([O-])c1Cc1c[nH]c2ccccc12 ZINC000096273680 562794620 /nfs/dbraw/zinc/79/46/20/562794620.db2.gz AMDUCWJBYRMCNV-SANMLTNESA-N -1 0 552.635 4.837 1 0 KJAFRM COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283213 562794773 /nfs/dbraw/zinc/79/47/73/562794773.db2.gz UVNHLBMANWDQRC-UHFFFAOYSA-N -1 0 527.581 4.614 1 0 KJAFRM CNc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283218 562794842 /nfs/dbraw/zinc/79/48/42/562794842.db2.gz OGSWPCCMSSMXTK-UHFFFAOYSA-N -1 0 526.597 4.647 1 0 KJAFRM CN(C)c1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283219 562794816 /nfs/dbraw/zinc/79/48/16/562794816.db2.gz YWIXUJBYTOCIRC-UHFFFAOYSA-N -1 0 540.624 4.671 1 0 KJAFRM Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000096284679 562795278 /nfs/dbraw/zinc/79/52/78/562795278.db2.gz UURDJSKSVUJRDK-UHFFFAOYSA-N -1 0 536.650 4.958 1 0 KJAFRM COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)[O-])cn3)c3nnc(CF)n3-c3ccc(Cl)cc32)c1OC ZINC000096285786 562795900 /nfs/dbraw/zinc/79/59/00/562795900.db2.gz VYODEMHPMQHSGG-IFMALSPDSA-N -1 0 527.940 4.553 1 0 KJAFRM CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000096302129 562796287 /nfs/dbraw/zinc/79/62/87/562796287.db2.gz OYSPDOPHXQTSCD-VYBYJOSASA-N -1 0 744.792 4.540 1 0 KJAFRM CC(=O)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@H](C)O[C@H]1OC[C@@H]1[C@@H](O)C[C@H](O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000096307601 562796418 /nfs/dbraw/zinc/79/64/18/562796418.db2.gz HUNWHQSDNRTZBU-XNENCTOESA-N -1 0 704.898 4.780 1 0 KJAFRM 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/nfs/dbraw/zinc/80/64/46/562806446.db2.gz SSFYFPFPUBLPRC-UHFFFAOYSA-N -1 0 548.573 4.550 1 0 KJAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(Nc4c(=O)c(=O)c4NCc4ccccn4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000100073138 562806643 /nfs/dbraw/zinc/80/66/43/562806643.db2.gz LSLKZALEBUNDHY-NDEPHWFRSA-N -1 0 624.719 4.600 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c2ncnn21 ZINC000100638552 562807183 /nfs/dbraw/zinc/80/71/83/562807183.db2.gz ITPVLKMMBRJIQE-JHDGKUDLSA-N -1 0 554.651 4.963 1 0 KJAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2C[C@@H](C)O[C@@H](C)C2)c2ncnn21 ZINC000100638553 562807190 /nfs/dbraw/zinc/80/71/90/562807190.db2.gz ITPVLKMMBRJIQE-NPHXMPSESA-N -1 0 554.651 4.963 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn21 ZINC000100638578 562807188 /nfs/dbraw/zinc/80/71/88/562807188.db2.gz AFZGGVPKOZGSRB-RQNOJGIXSA-N -1 0 598.704 4.716 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@@H](Oc3ccon3)CC2)c2ncnn21 ZINC000100638677 562807220 /nfs/dbraw/zinc/80/72/20/562807220.db2.gz IPOQWKDEGVCCKW-YHBQERECSA-N -1 0 593.644 4.995 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@H](Oc3ccon3)CC2)c2ncnn21 ZINC000100638679 562807211 /nfs/dbraw/zinc/80/72/11/562807211.db2.gz IPOQWKDEGVCCKW-ZRZAMGCNSA-N -1 0 593.644 4.995 1 0 KJAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)(C)O)CC2)c2ncnn21 ZINC000100638751 562807232 /nfs/dbraw/zinc/80/72/32/562807232.db2.gz AFZGGVPKOZGSRB-PSWAGMNNSA-N -1 0 598.704 4.716 1 0 KJAFRM CS(=O)(=O)c1ccc2c([O-])c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 ZINC000100779004 562807864 /nfs/dbraw/zinc/80/78/64/562807864.db2.gz KGDHXMCWBKOSBL-UHFFFAOYSA-N -1 0 549.612 4.673 1 0 KJAFRM COc1cc(O)c2c(c1)[C@@H]([C@H]1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)[O-])cc31)c1cc(C)cc(O)c1C2=O ZINC000100826926 560052489 /nfs/dbraw/zinc/05/24/89/560052489.db2.gz NJQDJYRXLQEGRB-ZEQRLZLVSA-N -1 0 538.508 4.577 1 0 endogenous,in-man KJAFRM Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)[O-])cc31)c1cccc(O)c1C2=O ZINC000100826931 291879241 /nfs/dbraw/zinc/87/92/41/291879241.db2.gz BYPYDHLERFKKKV-PKTZIBPZSA-N -1 0 508.482 4.568 1 0 endogenous,in-man KJAFRM COC(=O)C(=C([O-])c1ccc(Cn2ncc3ccc(NC(=O)OC4CCCC4)cc32)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000100830917 562808163 /nfs/dbraw/zinc/80/81/63/562808163.db2.gz CDMNZNNPWJEINU-LJAQVGFWSA-N -1 0 605.669 4.783 1 0 KJAFRM COC(=O)C(=C([O-])c1ccc(Cn2ncc3ccc(NC(=O)OC4CCCC4)cc32)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000100830921 562808152 /nfs/dbraw/zinc/80/81/52/562808152.db2.gz CDMNZNNPWJEINU-GDLZYMKVSA-N -1 0 605.669 4.783 1 0 KJAFRM O=C(Cc1ccccc1)O[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100971013 562808560 /nfs/dbraw/zinc/80/85/60/562808560.db2.gz PPEKRJZEOBNGOP-BWTSREIZSA-N -1 0 564.504 4.904 1 0 KJAFRM CC(C)CCn1c2ccc(NC(=O)c3ccccc3)cc2c([O-])c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000101036402 562808859 /nfs/dbraw/zinc/80/88/59/562808859.db2.gz NLKDDQGZSNCDMJ-UHFFFAOYSA-N -1 0 530.606 4.567 1 0 KJAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3c(=O)n(C)c2-c2nnn[n-]2)cc1 ZINC000101067043 562808979 /nfs/dbraw/zinc/80/89/79/562808979.db2.gz RJSRPFAIHCEPPD-UHFFFAOYSA-N -1 0 504.598 4.748 1 0 KJAFRM CC(C)CCn1c2ccc(OCc3ccccc3)cc2c([O-])c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000101077838 562809027 /nfs/dbraw/zinc/80/90/27/562809027.db2.gz PSQQUSCSHUIBGT-UHFFFAOYSA-N -1 0 517.607 4.893 1 0 KJAFRM CC(C)(C(=O)[O-])c1cc(-c2cc3c(cc[nH+]c3N)[nH]2)c(O)c(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1 ZINC000101090956 562809113 /nfs/dbraw/zinc/80/91/13/562809113.db2.gz KQROUHWYZMVGES-NDEPHWFRSA-N -1 0 564.642 4.718 1 0 KJAFRM COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccc(C(=O)[O-])cc4)nc2-3)cc1OC1CCCC1 ZINC000101499844 562811071 /nfs/dbraw/zinc/81/10/71/562811071.db2.gz CNEQRVGMNVJECM-UHFFFAOYSA-N -1 0 531.613 4.793 1 0 KJAFRM C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C\C=C\[C@@H](OC(=O)CCC(=O)[O-])C/C=C/C=C\C(=O)O1 ZINC000101728141 562812045 /nfs/dbraw/zinc/81/20/45/562812045.db2.gz QXSCSCFGEZMIKB-AELFMCOISA-N -1 0 502.604 4.540 1 0 KJAFRM CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3c(Br)c(Cl)sc3N2)c([O-])c2ccccc21 ZINC000101839376 562812283 /nfs/dbraw/zinc/81/22/83/562812283.db2.gz YVSGBINNKDFYTQ-UHFFFAOYSA-N -1 0 530.853 4.792 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCCN(C)C(=O)N2C1 ZINC000102071351 562812646 /nfs/dbraw/zinc/81/26/46/562812646.db2.gz NWEBFFCAQDQRDE-SBNYBRTISA-N -1 0 598.700 4.874 1 0 KJAFRM O=C(Nn1c([O-])cc(=O)n(C2CCCCC2)c1=S)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000102080005 562812702 /nfs/dbraw/zinc/81/27/02/562812702.db2.gz BABMDKRRACZCNH-UHFFFAOYSA-N -1 0 559.692 4.743 1 0 KJAFRM COc1ccc([C@@H]2Oc3c(cccc3-c3c(=O)c4c(O)cc([O-])cc4oc3-c3ccc(O)cc3)C(=O)[C@@H]2O)cc1O ZINC000102986888 562813947 /nfs/dbraw/zinc/81/39/47/562813947.db2.gz LIXLQHZDLFCVIN-JDXGNMNLSA-N -1 0 554.507 4.635 1 0 KJAFRM C[C@H]1COc2c(NC(=O)[C@H]3CC[C@@H](COc4cccc(F)c4F)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000103024462 562814076 /nfs/dbraw/zinc/81/40/76/562814076.db2.gz CKBJXVQMQJYGHI-KKUMJFAQSA-N -1 0 530.499 4.894 1 0 KJAFRM C[C@H]1COc2c(NC(=O)[C@H]3CC[C@H](COc4cccc(F)c4F)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000103028347 562814083 /nfs/dbraw/zinc/81/40/83/562814083.db2.gz CKBJXVQMQJYGHI-SOUVJXGZSA-N -1 0 530.499 4.894 1 0 KJAFRM CCCNC(=S)[N-]S(=O)(=O)c1ccc(N2N=C(c3ccc(Oc4ccccc4)cc3)CCC2=O)cc1 ZINC000103168330 562814690 /nfs/dbraw/zinc/81/46/90/562814690.db2.gz MRRLBFCMBFUDMR-UHFFFAOYSA-N -1 0 522.652 4.573 1 0 KJAFRM Cc1sc(N2CCN(C)CC2)nc1CCOc1ccc(C[C@@](O)(C(=O)[O-])c2ccccc2C(=O)c2ccccc2)cc1 ZINC000103178136 562815143 /nfs/dbraw/zinc/81/51/43/562815143.db2.gz ITGQHRHQJCHLSA-XIFFEERXSA-N -1 0 585.726 4.571 1 0 KJAFRM COC(=O)c1ccccc1[C@@](O)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] ZINC000103178209 562815150 /nfs/dbraw/zinc/81/51/50/562815150.db2.gz LDUYGALTOGKKFB-LJAQVGFWSA-N -1 0 501.535 4.573 1 0 KJAFRM COc1cc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)COc2ccc(C)cc2)ccc1OCC(=O)[O-] ZINC000103184194 562815317 /nfs/dbraw/zinc/81/53/17/562815317.db2.gz CNTADBRIIMEMEJ-QHCPKHFHSA-N -1 0 508.958 4.877 1 0 KJAFRM COc1cc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)COc2ccc(C)cc2)ccc1OCC(=O)[O-] ZINC000103184196 562815302 /nfs/dbraw/zinc/81/53/02/562815302.db2.gz CNTADBRIIMEMEJ-HSZRJFAPSA-N -1 0 508.958 4.877 1 0 KJAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(c4nnc(SCC(=O)c5ccc(Cl)cc5)s4)CC3)c(F)cc2c1=O ZINC000103185774 562815387 /nfs/dbraw/zinc/81/53/87/562815387.db2.gz UYTSXMHQGFNRAF-UHFFFAOYSA-N -1 0 600.097 4.980 1 0 KJAFRM Cc1ccc(C(=O)CSc2nnc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)s2)cc1 ZINC000103185875 562815440 /nfs/dbraw/zinc/81/54/40/562815440.db2.gz ZAQQOSDWHFKPCO-UHFFFAOYSA-N -1 0 579.679 4.635 1 0 KJAFRM CCCCc1nnc(SCc2ccccc2CO)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103214559 562816903 /nfs/dbraw/zinc/81/69/03/562816903.db2.gz BSCUCGHZILMSBJ-UHFFFAOYSA-N -1 0 554.680 4.886 1 0 KJAFRM CCCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103214567 562816956 /nfs/dbraw/zinc/81/69/56/562816956.db2.gz PFWKGVRODKMEPZ-UHFFFAOYSA-N -1 0 591.097 4.729 1 0 KJAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(=O)(=O)c3ccc(C(C)C)cc3)[C@H]3COC[C@@H]32)OCO4)cc(OC)c1OC ZINC000103224584 562817581 /nfs/dbraw/zinc/81/75/81/562817581.db2.gz LRHMTIHPIYNKCL-BAAZAXTHSA-N -1 0 624.712 4.702 1 0 KJAFRM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)s2)NC1=S ZINC000103225655 562817740 /nfs/dbraw/zinc/81/77/40/562817740.db2.gz FVHHZLXFIYKOPG-BIRYMOPTSA-N -1 0 513.438 4.931 1 0 KJAFRM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)s2)NC1=S ZINC000103225657 562817793 /nfs/dbraw/zinc/81/77/93/562817793.db2.gz FVHHZLXFIYKOPG-HJDVLLJCSA-N -1 0 513.438 4.931 1 0 KJAFRM N#C[N-]C(=O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226878 562817868 /nfs/dbraw/zinc/81/78/68/562817868.db2.gz NKWGKNWRQCGZST-RQRMZWKBSA-N -1 0 511.390 4.520 1 0 KJAFRM N#C[N-]C(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226881 562817875 /nfs/dbraw/zinc/81/78/75/562817875.db2.gz NKWGKNWRQCGZST-QDDTUJKSSA-N -1 0 511.390 4.520 1 0 KJAFRM CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(C(=O)[O-])c3)c(C(=O)c3ccccc3)s2)cc1 ZINC000103232894 562818377 /nfs/dbraw/zinc/81/83/77/562818377.db2.gz YDMFEUDMZCMEQF-UHFFFAOYSA-N -1 0 534.615 4.714 1 0 KJAFRM COC(=O)[C@H](Cc1cccc(O)c1)NC(=O)c1cc(C(=O)[O-])c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1 ZINC000103233042 562818409 /nfs/dbraw/zinc/81/84/09/562818409.db2.gz XGGSNKUHNSVXHM-DEOSSOPVSA-N -1 0 538.478 4.839 1 0 KJAFRM CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])c2cc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000103233054 562818420 /nfs/dbraw/zinc/81/84/20/562818420.db2.gz IYRLCOILNQBJEJ-ZNOKPGKASA-N -1 0 529.980 4.550 1 0 KJAFRM COc1ccc(-c2nc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cn2-c2ccnc3cc(Cl)ccc32)c(OC)c1 ZINC000103233121 562818458 /nfs/dbraw/zinc/81/84/58/562818458.db2.gz MSSVRMZTTHGMIT-NRFANRHFSA-N -1 0 522.989 4.987 1 0 KJAFRM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)NC1=S ZINC000103235541 562818731 /nfs/dbraw/zinc/81/87/31/562818731.db2.gz VACCAMNSVPRAPC-BIRYMOPTSA-N -1 0 502.470 4.599 1 0 KJAFRM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)NC1=S ZINC000103235543 562818711 /nfs/dbraw/zinc/81/87/11/562818711.db2.gz VACCAMNSVPRAPC-HJDVLLJCSA-N -1 0 502.470 4.599 1 0 KJAFRM C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)C(=O)N([C@H](Cc1ccccc1)C(=O)[O-])C3)O2 ZINC000103237853 562819118 /nfs/dbraw/zinc/81/91/18/562819118.db2.gz MUPAWUGNYWIXIO-XAZWSCOFSA-N -1 0 533.665 4.951 1 0 KJAFRM C[C@]1([C@H](O)c2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103239656 562819369 /nfs/dbraw/zinc/81/93/69/562819369.db2.gz BOAOAHFCFGGWPW-PQHLKRTFSA-N -1 0 529.568 4.939 1 0 KJAFRM COC[C@]1(c2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240763 562819502 /nfs/dbraw/zinc/81/95/02/562819502.db2.gz ULKNRPLKMTVYOB-PMERELPUSA-N -1 0 529.568 4.989 1 0 KJAFRM COC[C@@]1(c2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240765 562819524 /nfs/dbraw/zinc/81/95/24/562819524.db2.gz ULKNRPLKMTVYOB-SSEXGKCCSA-N -1 0 529.568 4.989 1 0 KJAFRM O=C([O-])CCCCc1nc2cc(C3=NOC4(Cc5ccccc5C4)C3)ccc2c(=O)n1-c1ccc(F)cc1 ZINC000103240774 562819511 /nfs/dbraw/zinc/81/95/11/562819511.db2.gz BITOPQVAXZDVLV-UHFFFAOYSA-N -1 0 511.553 4.984 1 0 KJAFRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)OCc2ccccc2)c(-c2ccc(Cn3cncn3)cc2)c1 ZINC000103244559 562819744 /nfs/dbraw/zinc/81/97/44/562819744.db2.gz XFSQIQXOQGXMBM-UHFFFAOYSA-N -1 0 504.612 4.807 1 0 KJAFRM C[C@@H](CS(C)(=O)=O)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103248028 562819976 /nfs/dbraw/zinc/81/99/76/562819976.db2.gz LNUKFEPPVDZGIJ-KFGPSKRPSA-N -1 0 512.455 4.965 1 0 KJAFRM CC[C@@H](CNS(C)(=O)=O)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103248047 562820062 /nfs/dbraw/zinc/82/00/62/562820062.db2.gz XITAAXSCXPXQMN-KWLZBDKBSA-N -1 0 541.497 4.859 1 0 KJAFRM COc1ccc(-c2nc3ncc(-c4nc(C(=O)[O-])cs4)c(NCCCNC(=O)C4CCCC4)c3[nH]2)cc1 ZINC000103248062 562820052 /nfs/dbraw/zinc/82/00/52/562820052.db2.gz LLHGFGUOUWJTLQ-UHFFFAOYSA-N -1 0 520.615 4.564 1 0 KJAFRM CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)[O-])CC4)nc3)cc(-c3ccccn3)c2s1 ZINC000103248727 562820088 /nfs/dbraw/zinc/82/00/88/562820088.db2.gz VWGVZRSKDSKOCX-UHFFFAOYSA-N -1 0 517.615 4.648 1 0 KJAFRM CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)[O-])CC4)cn3)cc(-c3ccccn3)c2s1 ZINC000103248752 562820091 /nfs/dbraw/zinc/82/00/91/562820091.db2.gz BQMMRFSCMNFZSU-UHFFFAOYSA-N -1 0 517.615 4.648 1 0 KJAFRM CCNC(=O)Nc1nc2cc(-c3nc(N4CCC(C)(C(=O)[O-])CC4)ns3)cc(-c3ccccn3)c2s1 ZINC000103248758 562820089 /nfs/dbraw/zinc/82/00/89/562820089.db2.gz XVIKDVDCYZJEQZ-UHFFFAOYSA-N -1 0 523.644 4.709 1 0 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CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)C1CC1 ZINC000142730706 562834286 /nfs/dbraw/zinc/83/42/86/562834286.db2.gz DZTICZQSKNMNFE-JOCHJYFZSA-N -1 0 502.398 4.717 1 0 KJAFRM C[C@]1(C2CCCCC2)N=C(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000142740038 562834295 /nfs/dbraw/zinc/83/42/95/562834295.db2.gz NPKZJMSVHJJDNM-NDEPHWFRSA-N -1 0 559.585 4.960 1 0 KJAFRM C[C@@]1(C2CCCCC2)N=C(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000142740240 562834328 /nfs/dbraw/zinc/83/43/28/562834328.db2.gz NPKZJMSVHJJDNM-MUUNZHRXSA-N -1 0 559.585 4.960 1 0 KJAFRM CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(C(=O)[O-])c2)cc1 ZINC000143104839 562834630 /nfs/dbraw/zinc/83/46/30/562834630.db2.gz ASDLZNFKCYCIDE-UHFFFAOYSA-N -1 0 507.486 4.925 1 0 KJAFRM C[C@]1(C2CCCCC2)N[C@H](c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000143452416 562835018 /nfs/dbraw/zinc/83/50/18/562835018.db2.gz NKDFNYWJNDERSQ-NAKRPHOHSA-N -1 0 545.602 4.922 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510.568 4.875 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCOC(=O)N2C1 ZINC000144766895 562836596 /nfs/dbraw/zinc/83/65/96/562836596.db2.gz ZNKKFPUPLGASNG-BHHHAAIVSA-N -1 0 571.630 4.568 1 0 KJAFRM O=C([O-])[C@H]1CCS(=O)(=O)N1Cc1cccc(COc2ccc(-c3cc(F)c(F)cc3Cl)cc2)c1 ZINC000145113671 562836895 /nfs/dbraw/zinc/83/68/95/562836895.db2.gz AJBUTTPOUMRBFH-HSZRJFAPSA-N -1 0 507.942 4.853 1 0 KJAFRM CC(=O)c1ccc(Cl)c(F)c1C=CC(=O)N1CCc2c(O)cccc2[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000145228991 562836902 /nfs/dbraw/zinc/83/69/02/562836902.db2.gz GMWMPDSNVDZSIZ-LEYIMRRPSA-N -1 0 536.943 4.863 1 0 KJAFRM CC(=O)c1ccc(Cl)c(F)c1C=CC(=O)N1CCc2c(O)cccc2[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000145229216 562836925 /nfs/dbraw/zinc/83/69/25/562836925.db2.gz GMWMPDSNVDZSIZ-QSWPLXARSA-N -1 0 536.943 4.863 1 0 KJAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000145507331 562837218 /nfs/dbraw/zinc/83/72/18/562837218.db2.gz BBZBRTSNSQZYEN-GMAHTHKFSA-N -1 0 501.564 4.822 1 0 KJAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000145507542 562837240 /nfs/dbraw/zinc/83/72/40/562837240.db2.gz BBZBRTSNSQZYEN-JTHBVZDNSA-N -1 0 501.564 4.822 1 0 KJAFRM O=C([O-])CCNC(=O)c1ccc([C@@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C2CC(F)(F)C2)cc1 ZINC000145663565 562837398 /nfs/dbraw/zinc/83/73/98/562837398.db2.gz IUWNKLMWQAVWCM-OAQYLSRUSA-N -1 0 523.462 4.689 1 0 KJAFRM O=C([O-])CCNC(=O)c1ccc([C@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C2CC(F)(F)C2)cc1 ZINC000145663783 562837423 /nfs/dbraw/zinc/83/74/23/562837423.db2.gz IUWNKLMWQAVWCM-NRFANRHFSA-N -1 0 523.462 4.689 1 0 KJAFRM CCCCC1(CCCC)CS(=O)(=O)c2cc(C[P@@](=O)([O-])O)c(OC)cc2[C@H](c2ccccc2)N1 ZINC000145969123 562837822 /nfs/dbraw/zinc/83/78/22/562837822.db2.gz PGZJWCFWLZZHIJ-DEOSSOPVSA-N -1 0 509.605 4.958 1 0 KJAFRM CCCCC1(CCCC)CS(=O)(=O)c2cc(C[P@@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000145969325 562837869 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562839311 /nfs/dbraw/zinc/83/93/11/562839311.db2.gz UXDKRIMJVOAFTM-UHFFFAOYSA-N -1 0 532.573 4.583 1 0 KJAFRM C[C@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)Cc1coc2ccccc12 ZINC000147419049 562839340 /nfs/dbraw/zinc/83/93/40/562839340.db2.gz ITTCCZXQCJVCAG-AREMUKBSSA-N -1 0 516.516 4.879 1 0 KJAFRM C[C@@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)Cc1coc2ccccc12 ZINC000147419257 562839325 /nfs/dbraw/zinc/83/93/25/562839325.db2.gz ITTCCZXQCJVCAG-SANMLTNESA-N -1 0 516.516 4.879 1 0 KJAFRM O=S(=O)([N-]c1ncc(F)s1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-n2ccnc2)C1 ZINC000147432601 562839306 /nfs/dbraw/zinc/83/93/06/562839306.db2.gz NPFHACFATXIJEM-UHFFFAOYSA-N -1 0 523.537 4.869 1 0 KJAFRM O=S(=O)([N-]c1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2Br)C1 ZINC000147447862 562839398 /nfs/dbraw/zinc/83/93/98/562839398.db2.gz PLHSQQYMUHVCKT-UHFFFAOYSA-N -1 0 519.368 4.701 1 0 KJAFRM O=S(=O)([N-]c1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CCOCC2)C1 ZINC000147496519 562839415 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COc1ccc(CCCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000147740641 562839511 /nfs/dbraw/zinc/83/95/11/562839511.db2.gz MILAXXOVPJBEPQ-UHFFFAOYSA-N -1 0 605.717 4.850 1 0 KJAFRM O=C([N-]CCCOc1nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)ncc1C(F)(F)F)C(F)(F)F ZINC000148957995 562842046 /nfs/dbraw/zinc/84/20/46/562842046.db2.gz JZBHBCSZMZJCQL-UHFFFAOYSA-N -1 0 541.452 4.616 1 0 KJAFRM CC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cccc(Cl)c1Cl ZINC000149323758 562842582 /nfs/dbraw/zinc/84/25/82/562842582.db2.gz PNFKMZZVXNRXCD-UHFFFAOYSA-N -1 0 605.479 4.763 1 0 KJAFRM CCC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccc(C)cc1Cl ZINC000149334141 562842608 /nfs/dbraw/zinc/84/26/08/562842608.db2.gz GFDBFZSRTNCHNM-UHFFFAOYSA-N -1 0 599.088 4.809 1 0 KJAFRM CCC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(C)ccc1Cl ZINC000149338417 562842621 /nfs/dbraw/zinc/84/26/21/562842621.db2.gz ROXXCBAGOXVFQD-UHFFFAOYSA-N -1 0 599.088 4.809 1 0 KJAFRM 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COc1ccc2c(OCC[C@@H]3NC(=O)N(C)CCCC/C=C\[C@@H]4C[C@@]4(C(=O)[N-]S(=O)(=O)C4(C)CC4)NC3=O)cc(-n3ccc(C(C)C)n3)nc2c1Cl ZINC000166359909 562850460 /nfs/dbraw/zinc/85/04/60/562850460.db2.gz PVIKDOQAXPULIX-QKTQXBGTSA-N -1 0 756.326 4.598 1 0 KJAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(C[C@@H](O)c1ccc(OC)cc1)c2=O ZINC000166883925 562850489 /nfs/dbraw/zinc/85/04/89/562850489.db2.gz ZFLDKJDSQBCUEX-HHHXNRCGSA-N -1 0 614.655 4.727 1 0 KJAFRM CC(C)(C)[C@@H](O)Cn1c(=O)c2cc(C3CC3)sc2n(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c1=O ZINC000167015263 562850558 /nfs/dbraw/zinc/85/05/58/562850558.db2.gz MWTALFMKVVWOCO-DEOSSOPVSA-N -1 0 558.660 4.568 1 0 KJAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccn3c2Cl)cc1 ZINC000167652067 562851065 /nfs/dbraw/zinc/85/10/65/562851065.db2.gz HQXNWJOAOPGBEQ-UHFFFAOYSA-N -1 0 525.892 4.980 1 0 KJAFRM Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCC(=O)[O-])c[nH]4)c3)cc2)c1 ZINC000168726853 562851525 /nfs/dbraw/zinc/85/15/25/562851525.db2.gz UXSCWCUDRSMYNF-UHFFFAOYSA-N -1 0 503.490 4.775 1 0 KJAFRM O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000169304791 562853342 /nfs/dbraw/zinc/85/33/42/562853342.db2.gz NZOMKZDAZUUIBN-UHFFFAOYSA-N -1 0 519.608 4.533 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@@H](c4nnnn4C(C)(C)C)c4ccc(C(C)C)cc4)CC3)cc21 ZINC000169307001 562853708 /nfs/dbraw/zinc/85/37/08/562853708.db2.gz JDMMFSCYAJWSAU-HHHXNRCGSA-N -1 0 575.689 4.635 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H](c4nnnn4C(C)(C)C)c4ccc(C(C)C)cc4)CC3)cc21 ZINC000169307002 562853731 /nfs/dbraw/zinc/85/37/31/562853731.db2.gz JDMMFSCYAJWSAU-MHZLTWQESA-N -1 0 575.689 4.635 1 0 KJAFRM COc1ccc([C@@H]2SCC(=O)N2[N-]C(=O)c2nc3c(C)nn(-c4ccccc4)c3nc2-c2ccccc2)cc1OC ZINC000169307134 562853759 /nfs/dbraw/zinc/85/37/59/562853759.db2.gz RVVXSGYHOUEPSB-PMERELPUSA-N -1 0 566.643 4.727 1 0 KJAFRM COc1ccc([C@H]2SCC(=O)N2[N-]C(=O)c2nc3c(C)nn(-c4ccccc4)c3nc2-c2ccccc2)cc1OC ZINC000169307137 562853757 /nfs/dbraw/zinc/85/37/57/562853757.db2.gz RVVXSGYHOUEPSB-SSEXGKCCSA-N -1 0 566.643 4.727 1 0 KJAFRM Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)[N-]N3C(=O)CS[C@@H]3c3ccccc3)nc12 ZINC000169307138 562853744 /nfs/dbraw/zinc/85/37/44/562853744.db2.gz SZHVAGVRAVNJOX-MUUNZHRXSA-N -1 0 506.591 4.710 1 0 KJAFRM Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)[N-]N3C(=O)CS[C@H]3c3ccccc3)nc12 ZINC000169307139 562853753 /nfs/dbraw/zinc/85/37/53/562853753.db2.gz SZHVAGVRAVNJOX-NDEPHWFRSA-N -1 0 506.591 4.710 1 0 KJAFRM CC[C@@H](CS(=O)(=O)CC)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307584 562853876 /nfs/dbraw/zinc/85/38/76/562853876.db2.gz DLMBWZNPJUBFJQ-KKSHJYNMSA-N -1 0 528.454 4.691 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@@H](c4nnnn4C(C)(C)C)c4cccc5ccccc54)CC3)cc21 ZINC000169308139 562854024 /nfs/dbraw/zinc/85/40/24/562854024.db2.gz WOZGZMPGZWOVPV-MUUNZHRXSA-N -1 0 583.668 4.665 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H](c4nnnn4C(C)(C)C)c4cccc5ccccc54)CC3)cc21 ZINC000169308142 562854028 /nfs/dbraw/zinc/85/40/28/562854028.db2.gz WOZGZMPGZWOVPV-NDEPHWFRSA-N -1 0 583.668 4.665 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@@H](c4nnnn4C(C)(C)C)c4ccc(OC)c5ccccc54)CC3)cc21 ZINC000169308565 562854141 /nfs/dbraw/zinc/85/41/41/562854141.db2.gz DEPBAPCFPIRSST-GDLZYMKVSA-N -1 0 613.694 4.674 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H](c4nnnn4C(C)(C)C)c4ccc(OC)c5ccccc54)CC3)cc21 ZINC000169308567 562854135 /nfs/dbraw/zinc/85/41/35/562854135.db2.gz DEPBAPCFPIRSST-LJAQVGFWSA-N -1 0 613.694 4.674 1 0 KJAFRM CC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308590 562854147 /nfs/dbraw/zinc/85/41/47/562854147.db2.gz NDVVPNQFOKAHKY-MUUNZHRXSA-N -1 0 664.664 4.954 1 0 KJAFRM CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308591 562854127 /nfs/dbraw/zinc/85/41/27/562854127.db2.gz NDVVPNQFOKAHKY-NDEPHWFRSA-N -1 0 664.664 4.954 1 0 KJAFRM CC(C)(C)C1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169310578 562854848 /nfs/dbraw/zinc/85/48/48/562854848.db2.gz GSZGSSWDONJGQU-UHFFFAOYSA-N -1 0 507.606 4.794 1 0 KJAFRM Cc1c(C)c2c(c(C)c1O)C[C@](C)(C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)N3C4CCC(CC4)[C@@H]3C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(C)C)cc1)CO2 ZINC000169313785 562855643 /nfs/dbraw/zinc/85/56/43/562855643.db2.gz DCOGSJWSQGUXPZ-IOFMTVFSSA-N -1 0 820.928 4.560 1 0 KJAFRM Cc1c(C)c2c(c(C)c1O)C[C@](C)(C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)N3C4CCC(CC4)[C@@H]3C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(C)C)cc1)CO2 ZINC000169313789 562855656 /nfs/dbraw/zinc/85/56/56/562855656.db2.gz DCOGSJWSQGUXPZ-OGTZARQCSA-N -1 0 820.928 4.560 1 0 KJAFRM CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@@H]2/C=C/[C@@H]2O[C@H](CC(=O)[O-])C[C@H](OC=O)[C@H]2OC=O)CC=C1C ZINC000169315011 562855774 /nfs/dbraw/zinc/85/57/74/562855774.db2.gz MNBUKGGBUMCAEK-KGUYLFTDSA-N -1 0 530.658 4.793 1 0 KJAFRM O=c1[n-][nH]c(=S)n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000169319625 562856268 /nfs/dbraw/zinc/85/62/68/562856268.db2.gz RORWXOHVJZWEMG-VEYUFSJPSA-N -1 0 519.623 4.519 1 0 KJAFRM N=c1sc(=S)[n-]n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000169319647 562856271 /nfs/dbraw/zinc/85/62/71/562856271.db2.gz BBVYGZKSNJKCNI-VEYUFSJPSA-N -1 0 535.691 4.998 1 0 KJAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1cn(COC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000169319902 562856313 /nfs/dbraw/zinc/85/63/13/562856313.db2.gz VUMPRRVUQQKTMC-YEYFENTGSA-N -1 0 627.827 4.809 1 0 KJAFRM S=c1[n-]nnn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000169319948 562856329 /nfs/dbraw/zinc/85/63/29/562856329.db2.gz YKWFUYHUCMDLMN-VEYUFSJPSA-N -1 0 504.612 4.621 1 0 KJAFRM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOC4=C(c5ccc(Br)cc5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169325660 562857650 /nfs/dbraw/zinc/85/76/50/562857650.db2.gz OYCBITLOYNBDNW-UHFFFAOYSA-N -1 0 666.475 4.836 1 0 KJAFRM O=C([O-])c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169327925 562858191 /nfs/dbraw/zinc/85/81/91/562858191.db2.gz JDNFXPUAIYDOBE-UHFFFAOYSA-N -1 0 550.015 4.872 1 0 KJAFRM O=C([O-])c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4ccc5ccccc5n4)CC3)ccc2c1=O ZINC000169327928 562858205 /nfs/dbraw/zinc/85/82/05/562858205.db2.gz VBUNLAQNTACDNS-UHFFFAOYSA-N -1 0 543.986 4.810 1 0 KJAFRM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOC4=C(c5cccc(Cl)c5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169332051 562859106 /nfs/dbraw/zinc/85/91/06/562859106.db2.gz YVOSVLXULFKGSG-UHFFFAOYSA-N -1 0 622.024 4.727 1 0 KJAFRM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOC4=C(c5ccc(Cl)cc5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169332415 562859168 /nfs/dbraw/zinc/85/91/68/562859168.db2.gz OPNWJNYJPIIDCK-UHFFFAOYSA-N -1 0 622.024 4.727 1 0 KJAFRM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOC4=C(c5cccc(Br)c5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169332419 562859159 /nfs/dbraw/zinc/85/91/59/562859159.db2.gz QATNUUDVZZKAKN-UHFFFAOYSA-N -1 0 666.475 4.836 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(O)c5c(c4)O[C@H](c4ccc(O)cc4)CC5=O)[C@@H](C)C3)c(F)c21 ZINC000169337454 562860027 /nfs/dbraw/zinc/86/00/27/562860027.db2.gz UXLJBZIKXZIQBS-MYUZEXMDSA-N -1 0 649.647 4.705 1 0 KJAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(CCOc4cc(=O)c5c(O)cc(-c6ccc(O)cc6)oc-5c4)CC3)c(F)cc2c1=O ZINC000169337462 562860088 /nfs/dbraw/zinc/86/00/88/562860088.db2.gz OVTYWFWIVAVQSW-UHFFFAOYSA-N -1 0 627.625 4.559 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c4)[C@@H](C)C3)c(F)c21 ZINC000169337467 562860069 /nfs/dbraw/zinc/86/00/69/562860069.db2.gz YGJKGPHFVHAGRJ-SFHVURJKSA-N -1 0 647.631 4.772 1 0 KJAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(CCOc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c4)CC3)c(F)cc2c1=O ZINC000169337468 562860080 /nfs/dbraw/zinc/86/00/80/562860080.db2.gz YAMNOWVLBFOFDF-UHFFFAOYSA-N -1 0 627.625 4.559 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c4)CC3)cc21 ZINC000169337472 562860076 /nfs/dbraw/zinc/86/00/76/562860076.db2.gz DDRXGZZPUMPGCP-UHFFFAOYSA-N -1 0 599.615 4.539 1 0 KJAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(CCOc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c4)CC3)c(F)cc2c1=O ZINC000169337474 562860118 /nfs/dbraw/zinc/86/01/18/562860118.db2.gz AZUCZHWMTVJGNF-UHFFFAOYSA-N -1 0 611.626 4.854 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(=O)c5c(O)c(-c6ccc(OC)cc6)coc-5c4)CC3)cc21 ZINC000169337480 562860122 /nfs/dbraw/zinc/86/01/22/562860122.db2.gz AMHPASQMKGWLSC-UHFFFAOYSA-N -1 0 629.641 4.547 1 0 KJAFRM [NH3+][C@@H](Cc1cc(I)c(Oc2cc(Cl)c([O-])c(Cl)c2)c(I)c1)C(=O)[O-] ZINC000169337928 562860183 /nfs/dbraw/zinc/86/01/83/562860183.db2.gz FOVOTXCSRLWFJP-LBPRGKRZSA-N -1 0 593.970 4.655 1 0 KJAFRM [NH3+][C@@H](Cc1cc(Cl)c(Oc2cc(Cl)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342212 562860978 /nfs/dbraw/zinc/86/09/78/562860978.db2.gz HGLVUDKKHIIYCJ-LBPRGKRZSA-N -1 0 593.970 4.655 1 0 KJAFRM [NH3+][C@H](Cc1cc(Cl)c(Oc2cc(Cl)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342213 562860976 /nfs/dbraw/zinc/86/09/76/562860976.db2.gz HGLVUDKKHIIYCJ-GFCCVEGCSA-N -1 0 593.970 4.655 1 0 KJAFRM [NH3+][C@@H](Cc1cc(Br)c(Oc2cc(Br)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342220 562860974 /nfs/dbraw/zinc/86/09/74/562860974.db2.gz YIMUPVAJXIKSNV-LBPRGKRZSA-N -1 0 682.872 4.873 1 0 KJAFRM [NH3+][C@H](Cc1cc(Br)c(Oc2cc(Br)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342221 562860992 /nfs/dbraw/zinc/86/09/92/562860992.db2.gz YIMUPVAJXIKSNV-GFCCVEGCSA-N -1 0 682.872 4.873 1 0 KJAFRM [NH3+][C@H](Cc1cc(I)c(Oc2cc(Cl)c([O-])c(Cl)c2)c(I)c1)C(=O)[O-] ZINC000169342229 562860967 /nfs/dbraw/zinc/86/09/67/562860967.db2.gz FOVOTXCSRLWFJP-GFCCVEGCSA-N -1 0 593.970 4.655 1 0 KJAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)c3cccnc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343868 562861282 /nfs/dbraw/zinc/86/12/82/562861282.db2.gz BUINYIYQTHMKAV-UHFFFAOYSA-N -1 0 619.788 4.643 1 0 KJAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)c3ccoc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343874 562861270 /nfs/dbraw/zinc/86/12/70/562861270.db2.gz CGTLMMSNNBXURR-UHFFFAOYSA-N -1 0 608.761 4.841 1 0 KJAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)C3=CCOC=C3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343876 562861274 /nfs/dbraw/zinc/86/12/74/562861274.db2.gz MSOHWINIJSTKBO-UHFFFAOYSA-N -1 0 622.788 4.617 1 0 KJAFRM O=C([O-])COc1ccc(/C=C(/C(=O)Oc2ccccc2)S(=O)(=O)Oc2ccccc2)c(Cl)c1Cl ZINC000169344901 562861464 /nfs/dbraw/zinc/86/14/64/562861464.db2.gz UJCLLJLXWGWDQQ-UYRXBGFRSA-N -1 0 523.346 4.812 1 0 KJAFRM Cc1c(O)ccc2c(OS(=O)(=O)c3cccs3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349083 562862416 /nfs/dbraw/zinc/86/24/16/562862416.db2.gz IYSSVUPEHUMAIJ-UHFFFAOYSA-N -1 0 541.603 4.992 1 0 KJAFRM Cc1c(/C=C/C(=O)NCC(=O)[O-])oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c12 ZINC000169349732 562862698 /nfs/dbraw/zinc/86/26/98/562862698.db2.gz BYPOYJAQQHIBLX-ZHACJKMWSA-N -1 0 615.042 4.852 1 0 KJAFRM O=C(NC[C@@H](O)c1cc(Br)c([O-])c(Br)c1)c1[nH]c(Br)c(Br)c1Br ZINC000169352326 562863065 /nfs/dbraw/zinc/86/30/65/562863065.db2.gz YQXSTLRGHIXCFL-SSDOTTSWSA-N -1 0 640.746 4.996 1 0 KJAFRM CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1cccc2ccccc21)C(=O)[O-] ZINC000169352687 562863182 /nfs/dbraw/zinc/86/31/82/562863182.db2.gz KJYGSDKLRLUCRW-QHCPKHFHSA-N -1 0 534.663 4.663 1 0 KJAFRM COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)[O-])CCCC2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000169352859 562863282 /nfs/dbraw/zinc/86/32/82/562863282.db2.gz ICJRPUREGDBESW-UHFFFAOYSA-N -1 0 520.973 4.885 1 0 KJAFRM COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)[O-])C3CC4CC(C3)CC2C4)nn1-c1ccc(F)cc1 ZINC000169352866 562863287 /nfs/dbraw/zinc/86/32/87/562863287.db2.gz LZOKORVTSZMSAL-UHFFFAOYSA-N -1 0 519.573 4.705 1 0 KJAFRM COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C\O[C@@]2(C)Oc3c(c4c(O)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)C2=O ZINC000169355313 562863735 /nfs/dbraw/zinc/86/37/35/562863735.db2.gz BZOQTGADCSFWHV-PESQADFFSA-N -1 0 697.778 4.612 1 0 KJAFRM CC(C)[C@@H](NC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)[C@@H](NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(=O)C(F)(F)F ZINC000169368763 562864642 /nfs/dbraw/zinc/86/46/42/562864642.db2.gz VDSVLBRPSRRDNV-FJUXYKJISA-N -1 0 741.229 4.645 1 0 KJAFRM C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](C)[C@@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)[O-])O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000169369276 562864657 /nfs/dbraw/zinc/86/46/57/562864657.db2.gz XYNDTMTUXPAPPZ-BHVNRWBKSA-N -1 0 777.952 4.925 1 0 KJAFRM CN1C/C=C\CN(C)S(=O)(=O)[N-]C(=O)c2ccc3c(c2)n(c(-c2ccc(Cl)cc2)c3C2CCCCC2)CC1=O ZINC000169694360 562865243 /nfs/dbraw/zinc/86/52/43/562865243.db2.gz UEDANJNSPPDNGK-SREVYHEPSA-N -1 0 569.127 4.944 1 0 KJAFRM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc([N-]S(=O)(=O)C(F)(F)F)c2)n1 ZINC000169694636 562865485 /nfs/dbraw/zinc/86/54/85/562865485.db2.gz YEYHITPYMZLEJV-LBPRGKRZSA-N -1 0 590.028 4.903 1 0 KJAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000169697121 562866386 /nfs/dbraw/zinc/86/63/86/562866386.db2.gz CIQDQPSLIUICPX-SFHVURJKSA-N -1 0 522.886 4.819 1 0 KJAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000169697122 562866408 /nfs/dbraw/zinc/86/64/08/562866408.db2.gz CIQDQPSLIUICPX-GOSISDBHSA-N -1 0 522.886 4.819 1 0 KJAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OCC[C@@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000169697130 562866437 /nfs/dbraw/zinc/86/64/37/562866437.db2.gz BRUUOQFUWNUOGV-KRWDZBQOSA-N -1 0 538.885 4.655 1 0 KJAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OCC[C@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000169697131 562866405 /nfs/dbraw/zinc/86/64/05/562866405.db2.gz BRUUOQFUWNUOGV-QGZVFWFLSA-N -1 0 538.885 4.655 1 0 KJAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2cc3c(c(F)c2)[C@@H](NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)CC3)no1 ZINC000169697135 562866441 /nfs/dbraw/zinc/86/64/41/562866441.db2.gz RLZPVLDPNQNXFY-KRWDZBQOSA-N -1 0 540.876 4.958 1 0 KJAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2cc3c(c(F)c2)[C@H](NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)CC3)no1 ZINC000169697136 562866435 /nfs/dbraw/zinc/86/64/35/562866435.db2.gz RLZPVLDPNQNXFY-QGZVFWFLSA-N -1 0 540.876 4.958 1 0 KJAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@]3(C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000169697137 562866403 /nfs/dbraw/zinc/86/64/03/562866403.db2.gz HJCJUXBDBHUVCI-HSZRJFAPSA-N -1 0 536.913 4.993 1 0 KJAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@]3(C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000169697138 562866439 /nfs/dbraw/zinc/86/64/39/562866439.db2.gz HJCJUXBDBHUVCI-QHCPKHFHSA-N -1 0 536.913 4.993 1 0 KJAFRM C[C@@H]([N-]C(=O)C(F)(F)F)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698639 562867411 /nfs/dbraw/zinc/86/74/11/562867411.db2.gz YHCFJDHOCLZHNL-LJQANCHMSA-N -1 0 625.677 4.995 1 0 KJAFRM C[C@H]([N-]C(=O)C(F)(F)F)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698640 562867397 /nfs/dbraw/zinc/86/73/97/562867397.db2.gz YHCFJDHOCLZHNL-IBGZPJMESA-N -1 0 625.677 4.995 1 0 KJAFRM CC(C)C[C@@]1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169700297 562867697 /nfs/dbraw/zinc/86/76/97/562867697.db2.gz ZSQMBFPKMUCNLY-SANMLTNESA-N -1 0 518.441 4.834 1 0 KJAFRM CC(C)C[C@]1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169700298 562867684 /nfs/dbraw/zinc/86/76/84/562867684.db2.gz ZSQMBFPKMUCNLY-AREMUKBSSA-N -1 0 518.441 4.834 1 0 KJAFRM CC(C)[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C ZINC000169700301 562867710 /nfs/dbraw/zinc/86/77/10/562867710.db2.gz YFLBMCHZXDYLQE-JOCHJYFZSA-N -1 0 504.414 4.963 1 0 KJAFRM CC(C)(C)n1cc(CN2CC3(C2)CN(c2ccc(C(=O)[O-])cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000169702631 562868480 /nfs/dbraw/zinc/86/84/80/562868480.db2.gz WDRWSOOWZGDYLJ-UHFFFAOYSA-N -1 0 514.504 4.632 1 0 KJAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCCOC(=O)N2C1 ZINC000169702923 562868562 /nfs/dbraw/zinc/86/85/62/562868562.db2.gz AWQPGSZGZVXQPF-WKELZURCSA-N -1 0 585.657 4.958 1 0 KJAFRM Cc1cc(Nc2cc(-c3c[nH]nn3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704390 562868904 /nfs/dbraw/zinc/86/89/04/562868904.db2.gz CFRUPZABOQMKCQ-HHHXNRCGSA-N -1 0 525.594 4.708 1 0 KJAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[N-]S(C)(=O)=O)ccc43)s2)c1 ZINC000169704403 562868971 /nfs/dbraw/zinc/86/89/71/562868971.db2.gz HAABRXWJXIFASG-AREMUKBSSA-N -1 0 603.648 4.933 1 0 KJAFRM O=C([O-])CCNC(=O)c1nc(-c2ccccc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711002 562870795 /nfs/dbraw/zinc/87/07/95/562870795.db2.gz ASHSBOVJZXZVOH-UHFFFAOYSA-N -1 0 519.557 4.689 1 0 KJAFRM COC(=O)c1c(O)cccc1OCCOc1ccc2c(c1)c([C@@](O)(C(=O)[O-])C(F)(F)F)cn2COCC[Si](C)(C)C ZINC000170095540 562871480 /nfs/dbraw/zinc/87/14/80/562871480.db2.gz DPDZJLPNAAJJNG-AREMUKBSSA-N -1 0 599.631 4.738 1 0 KJAFRM COC(=O)c1c(O)cccc1OCCOc1ccc2c(c1)c([C@](O)(C(=O)[O-])C(F)(F)F)cn2COCC[Si](C)(C)C ZINC000170095542 562871477 /nfs/dbraw/zinc/87/14/77/562871477.db2.gz DPDZJLPNAAJJNG-SANMLTNESA-N -1 0 599.631 4.738 1 0 KJAFRM COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccc3ccccc3c1)[C@@H](O)[C@H](CC(=O)[O-])N2C(=O)OCC[Si](C)(C)C ZINC000170105009 562871483 /nfs/dbraw/zinc/87/14/83/562871483.db2.gz KLSIUGBMIOWZCP-BKHJTQGXSA-N -1 0 624.763 4.809 1 0 KJAFRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N1[C@@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C[C@H]2CCCC[C@H]21 ZINC000195211146 562871540 /nfs/dbraw/zinc/87/15/40/562871540.db2.gz VDSVLBRPSRRDNV-ODPBFBRLSA-N -1 0 741.229 4.645 1 0 KJAFRM COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@H]3CC[C@@H](C1)[N@H+]3C)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000197217876 562872562 /nfs/dbraw/zinc/87/25/62/562872562.db2.gz NGOKHMMSOIFOKA-BYMSRTLASA-N -1 0 659.853 4.693 1 0 KJAFRM O=C([O-])c1cc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)n2)ccc1O ZINC000198488745 562872694 /nfs/dbraw/zinc/87/26/94/562872694.db2.gz NMOOFXFFGAWTOY-UHFFFAOYSA-N -1 0 724.750 4.707 1 0 KJAFRM O=C([O-])CCCCn1cc(CCCCn2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)nn1 ZINC000198772521 562872842 /nfs/dbraw/zinc/87/28/42/562872842.db2.gz RFXQOOPGZYPPLZ-UHFFFAOYSA-N -1 0 550.619 4.559 1 0 KJAFRM CCNC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccc(Cl)cc1Cl ZINC000199138896 562872928 /nfs/dbraw/zinc/87/29/28/562872928.db2.gz AAHOZNBHURSHHD-UHFFFAOYSA-N -1 0 634.521 4.946 1 0 KJAFRM O=C([N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccc(F)cc1Cl)NC1CC1 ZINC000199138915 562872930 /nfs/dbraw/zinc/87/29/30/562872930.db2.gz LQZLNXONUVQVKC-UHFFFAOYSA-N -1 0 630.077 4.575 1 0 KJAFRM Cc1cc(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc3c(S(=O)(=O)[N-]C(=O)C4CC4)cnn32)c(Cl)cc1F ZINC000199140885 562872917 /nfs/dbraw/zinc/87/29/17/562872917.db2.gz SXEQMNRMZZIGAB-UHFFFAOYSA-N -1 0 629.089 4.948 1 0 KJAFRM CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000199838236 562873127 /nfs/dbraw/zinc/87/31/27/562873127.db2.gz FKNWCGZJHQMGMN-RUZDIDTESA-N -1 0 532.622 4.778 1 0 KJAFRM CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000199838258 562873099 /nfs/dbraw/zinc/87/30/99/562873099.db2.gz FKNWCGZJHQMGMN-VWLOTQADSA-N -1 0 532.622 4.778 1 0 KJAFRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000200297065 562873339 /nfs/dbraw/zinc/87/33/39/562873339.db2.gz GXPHFVKKSPIKPR-DOVQGEFXSA-N -1 0 543.664 4.832 1 0 KJAFRM CC(C)C[C@H](Nc1ccc(C(=O)NCCC(=O)[O-])cn1)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1 ZINC000200439240 562873357 /nfs/dbraw/zinc/87/33/57/562873357.db2.gz DROAORWMIULFBS-FQEVSTJZSA-N -1 0 501.509 4.961 1 0 KJAFRM CC(C)(Nc1cccc(C(=O)NCCCC(=O)[O-])c1)C(=O)Nc1nc2c(s1)c1c[nH]nc1cc2C(F)(F)F ZINC000202052186 562873617 /nfs/dbraw/zinc/87/36/17/562873617.db2.gz ZFWMAWDMXORLSP-UHFFFAOYSA-N -1 0 548.547 4.615 1 0 KJAFRM O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nnn[n-]1)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202323990 562873725 /nfs/dbraw/zinc/87/37/25/562873725.db2.gz VGSRXYXKYYFUPT-VWLOTQADSA-N -1 0 551.010 4.856 1 0 KJAFRM O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)c1nnn[n-]1)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202324018 562873722 /nfs/dbraw/zinc/87/37/22/562873722.db2.gz VGSRXYXKYYFUPT-RUZDIDTESA-N -1 0 551.010 4.856 1 0 KJAFRM C[C@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc3cc[nH]c3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000205171343 562874953 /nfs/dbraw/zinc/87/49/53/562874953.db2.gz JMKYPDLUNNTTDW-MUUNZHRXSA-N -1 0 503.624 4.810 1 0 KJAFRM C[C@@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc3cc[nH]c3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000205171363 562874984 /nfs/dbraw/zinc/87/49/84/562874984.db2.gz JMKYPDLUNNTTDW-NDEPHWFRSA-N -1 0 503.624 4.810 1 0 KJAFRM Cn1cc(-c2ccc(C(F)(F)F)cc2-c2cn[nH]c2)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000205419387 562875319 /nfs/dbraw/zinc/87/53/19/562875319.db2.gz NVBFTRZZWVPMOO-UHFFFAOYSA-N -1 0 504.519 4.907 1 0 KJAFRM Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)[N-]c3nncs3)cc21 ZINC000205423432 562875282 /nfs/dbraw/zinc/87/52/82/562875282.db2.gz JSVFRINVOKDWFP-UHFFFAOYSA-N -1 0 518.546 4.917 1 0 KJAFRM Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1c[nH]c2cc(S(=O)(=O)[N-]c3ncns3)ccc21 ZINC000205423746 562875313 /nfs/dbraw/zinc/87/53/13/562875313.db2.gz PHYULFZHOXGPDH-UHFFFAOYSA-N -1 0 504.519 4.907 1 0 KJAFRM Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)[N-]c3ccncn3)cc21 ZINC000205423845 562875317 /nfs/dbraw/zinc/87/53/17/562875317.db2.gz QXSKCQSXBLWLMF-UHFFFAOYSA-N -1 0 512.517 4.855 1 0 KJAFRM COC(=O)n1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000205427427 562875335 /nfs/dbraw/zinc/87/53/35/562875335.db2.gz PSAAGFQCPFEEOR-UHFFFAOYSA-N -1 0 562.555 4.994 1 0 KJAFRM Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)[O-])CCN(Cc1ccccc1)C2=O ZINC000205460934 562875433 /nfs/dbraw/zinc/87/54/33/562875433.db2.gz LVIZOSBWGKBSCS-UHFFFAOYSA-N -1 0 528.630 4.503 1 0 KJAFRM O=c1[nH]c2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)[N-]c4ncns4)cc3F)cc2[nH]1 ZINC000205481057 562875420 /nfs/dbraw/zinc/87/54/20/562875420.db2.gz VQFICXZTKHSHRX-UHFFFAOYSA-N -1 0 535.941 4.899 1 0 KJAFRM Nc1noc2ccc(-c3ccccc3Oc3cc(F)c(S(=O)(=O)[N-]c4ncns4)cc3F)cc12 ZINC000205514387 562875475 /nfs/dbraw/zinc/87/54/75/562875475.db2.gz RSNMSLWCZGKIHM-UHFFFAOYSA-N -1 0 501.496 4.800 1 0 KJAFRM Nc1noc2ccc(-c3cc(F)ccc3Oc3cc(F)c(S(=O)(=O)[N-]c4ncns4)cc3F)cc12 ZINC000205528637 562875547 /nfs/dbraw/zinc/87/55/47/562875547.db2.gz XGDLOGLCUZUGDZ-UHFFFAOYSA-N -1 0 519.486 4.939 1 0 KJAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ncc3cnccn32)cc1F ZINC000205537024 562875529 /nfs/dbraw/zinc/87/55/29/562875529.db2.gz XQGSUSFVPPFJIO-UHFFFAOYSA-N -1 0 520.930 4.773 1 0 KJAFRM Cc1cc(Nc2nc(CC3(C(=O)[O-])CCN(C(=O)c4cccc(Cl)c4Cl)CC3)ccc2F)n[nH]1 ZINC000205580816 562875574 /nfs/dbraw/zinc/87/55/74/562875574.db2.gz PLAVWQHGBMTMFR-UHFFFAOYSA-N -1 0 506.365 4.852 1 0 KJAFRM COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(C5(O)CCC(C(=O)[O-])CC5)n4)o3)nc2s1 ZINC000205756097 562875913 /nfs/dbraw/zinc/87/59/13/562875913.db2.gz RGLNBHCUHFKKPA-UHFFFAOYSA-N -1 0 556.622 4.719 1 0 KJAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCCN3CCOCC3)cc12 ZINC000205997721 562876103 /nfs/dbraw/zinc/87/61/03/562876103.db2.gz QJVWQMAWIIEPHE-UHFFFAOYSA-N -1 0 511.622 4.734 1 0 KJAFRM CCNC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(C)c(F)cc1Cl ZINC000206069461 562876168 /nfs/dbraw/zinc/87/61/68/562876168.db2.gz CRHYMIGYUGWBRG-UHFFFAOYSA-N -1 0 632.093 4.741 1 0 KJAFRM CCNC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccc(Cl)c(Cl)c1 ZINC000206069899 562876195 /nfs/dbraw/zinc/87/61/95/562876195.db2.gz XXWGCXNEFYTOIV-UHFFFAOYSA-N -1 0 634.521 4.946 1 0 KJAFRM Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc3c(S(=O)(=O)[N-]C(=O)N[C@@H]4CC4(F)F)cnn32)c1 ZINC000206070062 562876184 /nfs/dbraw/zinc/87/61/84/562876184.db2.gz ZRMJWTNIYJXYTD-XMMPIXPASA-N -1 0 662.094 4.989 1 0 KJAFRM Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc3c(S(=O)(=O)[N-]C(=O)N[C@H]4CC4(F)F)cnn32)c1 ZINC000206070092 562876187 /nfs/dbraw/zinc/87/61/87/562876187.db2.gz ZRMJWTNIYJXYTD-DEOSSOPVSA-N -1 0 662.094 4.989 1 0 KJAFRM CCNC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(Cl)ccc1Cl ZINC000206070615 562876165 /nfs/dbraw/zinc/87/61/65/562876165.db2.gz ADJYYHUMTWCMJN-UHFFFAOYSA-N -1 0 634.521 4.946 1 0 KJAFRM CC1(C(=O)[N-]S(=O)(=O)c2cnn3c2ncc(C(=O)N2CCC(c4ccc(F)cc4)CC2)c3Nc2cc(Cl)ccc2Cl)COC1 ZINC000206071294 562876186 /nfs/dbraw/zinc/87/61/86/562876186.db2.gz OWNNWIKYYQTZRS-UHFFFAOYSA-N -1 0 661.543 4.780 1 0 KJAFRM Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ncns3)ccc21 ZINC000206137563 562876336 /nfs/dbraw/zinc/87/63/36/562876336.db2.gz QVIPCVYLCZNZIV-UHFFFAOYSA-N -1 0 516.530 4.973 1 0 KJAFRM O=S(=O)([N-]c1ncns1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2-c2cn[nH]c2)c1 ZINC000206137597 562876359 /nfs/dbraw/zinc/87/63/59/562876359.db2.gz BVGUTXSMXUQKHD-UHFFFAOYSA-N -1 0 502.503 4.963 1 0 KJAFRM CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2F)s1)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000210450852 562877032 /nfs/dbraw/zinc/87/70/32/562877032.db2.gz NEIQENFRFQTURN-UHFFFAOYSA-N -1 0 555.584 4.774 1 0 KJAFRM O=C([N-]S(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F ZINC000216248564 562877458 /nfs/dbraw/zinc/87/74/58/562877458.db2.gz IFRGFTQIIMWCJG-UHFFFAOYSA-N -1 0 501.542 4.797 1 0 KJAFRM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c3cccnc32)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000220463749 562878555 /nfs/dbraw/zinc/87/85/55/562878555.db2.gz BBKYXDVTWRBSQV-UHFFFAOYSA-N -1 0 540.016 4.952 1 0 KJAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3csnc32)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000220463933 562878521 /nfs/dbraw/zinc/87/85/21/562878521.db2.gz DPSBPGRGUJXVQZ-UHFFFAOYSA-N -1 0 528.055 4.874 1 0 KJAFRM Cc1cc(F)ccc1C1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)CC1 ZINC000220562325 562878617 /nfs/dbraw/zinc/87/86/17/562878617.db2.gz KDGMBJSLJKOURT-UHFFFAOYSA-N -1 0 519.598 4.607 1 0 KJAFRM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c3cccnc32)cc1)N1CCC(O)(c2cccc(F)c2F)CC1 ZINC000220562694 562878619 /nfs/dbraw/zinc/87/86/19/562878619.db2.gz MKJZOECLYHJUSA-UHFFFAOYSA-N -1 0 541.551 4.577 1 0 KJAFRM Cc1cc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000220582595 562878607 /nfs/dbraw/zinc/87/86/07/562878607.db2.gz JHIMXRUEVXVGQU-UHFFFAOYSA-N -1 0 515.635 4.554 1 0 KJAFRM CNc1nc2c(cc(Cl)cc2S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)(CC(C)C)CC3)cc2)s1 ZINC000220582773 562878633 /nfs/dbraw/zinc/87/86/33/562878633.db2.gz CAMCPRWAEGFQCT-UHFFFAOYSA-N -1 0 537.107 4.805 1 0 KJAFRM Cc1nc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)(c4ccccc4Cl)CC3)cc2)o1 ZINC000220582965 562878625 /nfs/dbraw/zinc/87/86/25/562878625.db2.gz HRQCPJAONMPUHY-UHFFFAOYSA-N -1 0 526.014 4.714 1 0 KJAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2ncccc2C(F)(F)F)CC1 ZINC000220719290 562878651 /nfs/dbraw/zinc/87/86/51/562878651.db2.gz SHJKHJRDBNITSV-UHFFFAOYSA-N -1 0 556.566 4.573 1 0 KJAFRM Cc1ccccc1CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)CC1 ZINC000220753768 562878673 /nfs/dbraw/zinc/87/86/73/562878673.db2.gz JNXQAFRSWHNMCY-UHFFFAOYSA-N -1 0 515.635 4.554 1 0 KJAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(F)c2)c1 ZINC000220895586 562878676 /nfs/dbraw/zinc/87/86/76/562878676.db2.gz PATVYWOMEVHGMT-UHFFFAOYSA-N -1 0 573.318 4.570 1 0 KJAFRM CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@H]1OCC=C[C@H]1O[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000220954176 562878699 /nfs/dbraw/zinc/87/86/99/562878699.db2.gz ZEVJFWDTRLIRIP-WYMJOSIYSA-N -1 0 599.658 4.941 1 0 KJAFRM [NH3+][C@@H](CO[P@](=O)([O-])O[C@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000220959125 562878697 /nfs/dbraw/zinc/87/86/97/562878697.db2.gz BIGHQMOUQYMHQN-PIZZNKLWSA-N -1 0 629.599 4.627 1 0 KJAFRM [NH3+][C@@H](CO[P@](=O)([O-])OC[C@H]1OCCC[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000220959316 562878705 /nfs/dbraw/zinc/87/87/05/562878705.db2.gz ZEFLNNLYGODKPF-WIIGKZCBSA-N -1 0 629.599 4.627 1 0 KJAFRM [NH3+][C@@H](CO[P@](=O)([O-])O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000220959370 562878690 /nfs/dbraw/zinc/87/86/90/562878690.db2.gz BIGHQMOUQYMHQN-WIIGKZCBSA-N -1 0 629.599 4.627 1 0 KJAFRM [NH3+][C@@H](CO[P@](=O)([O-])OC[C@H]1OCCC[C@@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000220960779 562878685 /nfs/dbraw/zinc/87/86/85/562878685.db2.gz ZEFLNNLYGODKPF-PIZZNKLWSA-N -1 0 629.599 4.627 1 0 KJAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccc(-n3ccnc3)cc2)c1 ZINC000221053982 562878727 /nfs/dbraw/zinc/87/87/27/562878727.db2.gz RKIMISXMQOTENZ-UHFFFAOYSA-N -1 0 621.391 4.617 1 0 KJAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000221065398 562878719 /nfs/dbraw/zinc/87/87/19/562878719.db2.gz PMFSLJDCJWEKFR-UHFFFAOYSA-N -1 0 639.431 4.949 1 0 KJAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1 ZINC000221065482 562878732 /nfs/dbraw/zinc/87/87/32/562878732.db2.gz NWEIJOGCUWCHAV-UHFFFAOYSA-N -1 0 573.318 4.570 1 0 KJAFRM CC(C)CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)c(C(F)F)c2)CC1 ZINC000221271332 562878908 /nfs/dbraw/zinc/87/89/08/562878908.db2.gz HJKLBQVFOVIKSW-UHFFFAOYSA-N -1 0 517.598 4.986 1 0 KJAFRM O=C(c1ccc([N-]S(=O)(=O)c2csc3cccnc32)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221271981 562878933 /nfs/dbraw/zinc/87/89/33/562878933.db2.gz CUGQUTGLKHYABG-UHFFFAOYSA-N -1 0 528.055 4.874 1 0 KJAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3nc(F)ccc32)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221272319 562878938 /nfs/dbraw/zinc/87/89/38/562878938.db2.gz CDLUCRZTMMYMCT-UHFFFAOYSA-N -1 0 540.016 4.952 1 0 KJAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1F)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221277143 562878957 /nfs/dbraw/zinc/87/89/57/562878957.db2.gz URNNJAPRYGRTLZ-UHFFFAOYSA-N -1 0 540.016 4.952 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(O)c5c(c4)O[C@H](c4ccc(O)cc4)CC5=O)[C@H](C)C3)c(F)c21 ZINC000221696796 562879123 /nfs/dbraw/zinc/87/91/23/562879123.db2.gz UXLJBZIKXZIQBS-CLYVBNDRSA-N -1 0 649.647 4.705 1 0 KJAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c4)[C@H](C)C3)c(F)c21 ZINC000221696887 562879125 /nfs/dbraw/zinc/87/91/25/562879125.db2.gz YGJKGPHFVHAGRJ-GOSISDBHSA-N -1 0 647.631 4.772 1 0 KJAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(OC[C@@H]2CN(CCF)CC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000221726004 562879143 /nfs/dbraw/zinc/87/91/43/562879143.db2.gz LXZJEDQMTJCHFZ-RDJZCZTQSA-N -1 0 547.024 4.725 1 0 KJAFRM COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)[N-]OC(C)(C)C ZINC000221929738 562879392 /nfs/dbraw/zinc/87/93/92/562879392.db2.gz 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ZINC000222389786 562879812 /nfs/dbraw/zinc/87/98/12/562879812.db2.gz YQRMKSWXESHNSY-UHFFFAOYSA-N -1 0 610.198 4.761 1 0 KJAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@H]3CC[C@@H](C1)O3)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222488075 562879836 /nfs/dbraw/zinc/87/98/36/562879836.db2.gz GZNPNEGPNDQTQQ-YMBVRZCPSA-N -1 0 646.810 4.778 1 0 KJAFRM COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@H]3CC[C@@H](C1)O3)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222488142 562879814 /nfs/dbraw/zinc/87/98/14/562879814.db2.gz GZNPNEGPNDQTQQ-GRNAERJRSA-N -1 0 646.810 4.778 1 0 KJAFRM COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@H]3CC[C@@H](C1)O3)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222488205 562879834 /nfs/dbraw/zinc/87/98/34/562879834.db2.gz GZNPNEGPNDQTQQ-BPSLUQJNSA-N -1 0 646.810 4.778 1 0 KJAFRM COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@H]3CC[C@@H](C1)O3)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222488267 562879823 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COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cncnc3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299857410 562892240 /nfs/dbraw/zinc/89/22/40/562892240.db2.gz CUPIIAFLKXMZIM-VAWYXSNFSA-N -1 0 609.687 4.871 1 0 KJAFRM COc1ccc(-c2c(-c3ccccc3)cnn(C[C@H]3CCc4c(cccc4OCC(=O)[O-])C3)c2=O)cc1F ZINC000299858015 562892369 /nfs/dbraw/zinc/89/23/69/562892369.db2.gz POSRYNRAWSTWPY-IBGZPJMESA-N -1 0 514.553 4.994 1 0 KJAFRM COc1ccc(-c2c(-c3ccccc3)cnn(C[C@@H]3CCc4c(cccc4OCC(=O)[O-])C3)c2=O)cc1F ZINC000299858017 562892351 /nfs/dbraw/zinc/89/23/51/562892351.db2.gz POSRYNRAWSTWPY-LJQANCHMSA-N -1 0 514.553 4.994 1 0 KJAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2cnccn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299858402 562892445 /nfs/dbraw/zinc/89/24/45/562892445.db2.gz GNPONZBZQMLMRH-SDNWHVSQSA-N -1 0 582.661 4.941 1 0 KJAFRM COc1ccc(-c2nn(C[C@H]3CCc4c(cccc4OCC(=O)[O-])C3)c(=O)cc2-c2ccccc2)c(F)c1 ZINC000299858665 562892512 /nfs/dbraw/zinc/89/25/12/562892512.db2.gz SIPCNNPEUCKFSM-IBGZPJMESA-N -1 0 514.553 4.994 1 0 KJAFRM COc1ccc(-c2nn(C[C@@H]3CCc4c(cccc4OCC(=O)[O-])C3)c(=O)cc2-c2ccccc2)c(F)c1 ZINC000299858668 562892484 /nfs/dbraw/zinc/89/24/84/562892484.db2.gz SIPCNNPEUCKFSM-LJQANCHMSA-N -1 0 514.553 4.994 1 0 KJAFRM O=C(COc1ccccc1)[N-]S(=O)(=O)Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cc1 ZINC000299859005 562892567 /nfs/dbraw/zinc/89/25/67/562892567.db2.gz VDXQKXRNQCIGCM-MUUNZHRXSA-N -1 0 605.738 4.968 1 0 KJAFRM COc1ccc(-c2nn(C[C@H]3CCc4c(cccc4OCC(=O)[O-])C3)c(=O)cc2-c2ccccc2)cc1F ZINC000299859026 562892581 /nfs/dbraw/zinc/89/25/81/562892581.db2.gz VKPPVAUTZJFQSM-IBGZPJMESA-N -1 0 514.553 4.994 1 0 KJAFRM COc1ccc(-c2nn(C[C@@H]3CCc4c(cccc4OCC(=O)[O-])C3)c(=O)cc2-c2ccccc2)cc1F ZINC000299859028 562892620 /nfs/dbraw/zinc/89/26/20/562892620.db2.gz VKPPVAUTZJFQSM-LJQANCHMSA-N -1 0 514.553 4.994 1 0 KJAFRM O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000299859053 562892604 /nfs/dbraw/zinc/89/26/04/562892604.db2.gz HJKYMJFASHSMQJ-KQWNVCNZSA-N -1 0 554.609 4.885 1 0 KJAFRM O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccc(C(F)(F)F)cc43)c2)cc1 ZINC000299859102 562892609 /nfs/dbraw/zinc/89/26/09/562892609.db2.gz VZQWHCPAYJBPBS-UHFFFAOYSA-N -1 0 504.486 4.797 1 0 KJAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299861398 562893297 /nfs/dbraw/zinc/89/32/97/562893297.db2.gz LCVJXIRFNKHNOB-CCEZHUSRSA-N -1 0 582.661 4.941 1 0 KJAFRM CCNC(=O)N1CCC(Nc2cc(-c3c(-c4ccc(F)cc4)nc(S/C=C\C(=O)[O-])n3C)ccn2)CC1 ZINC000299861441 562893315 /nfs/dbraw/zinc/89/33/15/562893315.db2.gz IFQKWVFKEBTLIM-PTNGSMBKSA-N -1 0 524.622 4.584 1 0 KJAFRM CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@H](C(=O)[O-])C[C@@H]3O)n2C[C@H]2CCCO2)ccn1 ZINC000299861622 562893380 /nfs/dbraw/zinc/89/33/80/562893380.db2.gz IMDLEWGYIJSJML-FCJDFRRUSA-N -1 0 554.644 4.595 1 0 KJAFRM CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@H](C(=O)[O-])C[C@H]3O)n2C[C@@H]2CCCO2)ccn1 ZINC000299861624 562893366 /nfs/dbraw/zinc/89/33/66/562893366.db2.gz IMDLEWGYIJSJML-KZKAQZJJSA-N -1 0 554.644 4.595 1 0 KJAFRM CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@H](C(=O)[O-])C[C@H]3O)n2C[C@H]2CCCO2)ccn1 ZINC000299861626 562893376 /nfs/dbraw/zinc/89/33/76/562893376.db2.gz IMDLEWGYIJSJML-MLDBQTBOSA-N -1 0 554.644 4.595 1 0 KJAFRM CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@H](C(=O)[O-])C[C@@H]3O)n2C[C@@H]2CCCO2)ccn1 ZINC000299861628 562893377 /nfs/dbraw/zinc/89/33/77/562893377.db2.gz IMDLEWGYIJSJML-XXTHSBEZSA-N -1 0 554.644 4.595 1 0 KJAFRM O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccc(Cl)cc2)N1c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000299862707 562893639 /nfs/dbraw/zinc/89/36/39/562893639.db2.gz NPQLGJWBVZLBFU-JLPGSUDCSA-N -1 0 584.013 4.872 1 0 KJAFRM O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000299862981 562893748 /nfs/dbraw/zinc/89/37/48/562893748.db2.gz OFRHTMZGLZRGBW-BWAHOGKJSA-N -1 0 548.580 4.823 1 0 KJAFRM Cc1cc(C)c(Oc2cc(NC3CCN(CC(=O)Nc4ccc(C(=O)[O-])cc4Br)CC3)nc3ncnn32)c(C)c1 ZINC000299863344 562893812 /nfs/dbraw/zinc/89/38/12/562893812.db2.gz LABHDEHFRWAWLT-UHFFFAOYSA-N -1 0 608.497 4.818 1 0 KJAFRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccccc3)cc2)n1 ZINC000299863462 562893857 /nfs/dbraw/zinc/89/38/57/562893857.db2.gz PAGDINYFTAQZET-ONUIUJJFSA-N -1 0 577.622 4.835 1 0 KJAFRM O=C([O-])CNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl ZINC000299865193 562894353 /nfs/dbraw/zinc/89/43/53/562894353.db2.gz SQYFPTDVJFLIMT-UHFFFAOYSA-N -1 0 569.445 4.943 1 0 KJAFRM O=C([O-])CCCN1C[C@H](CO)Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc21 ZINC000299865399 562894405 /nfs/dbraw/zinc/89/44/05/562894405.db2.gz NQJREPQHJNEAAW-RUZDIDTESA-N -1 0 518.610 4.765 1 0 KJAFRM O=C([O-])CCCN1C[C@@H](CO)Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc21 ZINC000299865400 562894410 /nfs/dbraw/zinc/89/44/10/562894410.db2.gz NQJREPQHJNEAAW-VWLOTQADSA-N -1 0 518.610 4.765 1 0 KJAFRM COc1cc(CN2c3ccc(Cl)cc3[C@]3(C2=O)c2c(n[nH]c2-c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c23)cc(OC)c1OC ZINC000299865401 562894406 /nfs/dbraw/zinc/89/44/06/562894406.db2.gz NQURLMSVPMBMHQ-HKBQPEDESA-N -1 0 613.030 4.895 1 0 KJAFRM COc1cc(CN2c3ccc(Cl)cc3[C@@]3(C2=O)c2c(n[nH]c2-c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c23)cc(OC)c1OC ZINC000299865402 562894385 /nfs/dbraw/zinc/89/43/85/562894385.db2.gz NQURLMSVPMBMHQ-WJOKGBTCSA-N -1 0 613.030 4.895 1 0 KJAFRM NS(=O)(=O)c1ccc(C(=S)NCc2ccc(-c3cc(C(=O)[O-])nn3-c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000299865487 562894443 /nfs/dbraw/zinc/89/44/43/562894443.db2.gz UAIPQLMTTVBBJW-UHFFFAOYSA-N -1 0 561.472 4.657 1 0 KJAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2cncnc2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299865572 562894441 /nfs/dbraw/zinc/89/44/41/562894441.db2.gz NWNOFTQXVBPYIY-OUKQBFOZSA-N -1 0 597.676 4.727 1 0 KJAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2cncnc2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299866252 562894641 /nfs/dbraw/zinc/89/46/41/562894641.db2.gz VOCABNOKRVBUBZ-SDNWHVSQSA-N -1 0 582.661 4.941 1 0 KJAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Cl)cn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299866343 562894645 /nfs/dbraw/zinc/89/46/45/562894645.db2.gz VSIWWMNPRKHSRA-VAWYXSNFSA-N -1 0 618.094 4.990 1 0 KJAFRM Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCCCCCCCC(=O)Nc4cc(-c5cccs5)ccc4N)C(=O)[O-])cc3)nc2c(=O)[nH]1 ZINC000299866472 562894674 /nfs/dbraw/zinc/89/46/74/562894674.db2.gz VVOAJONYMVTWBI-MHZLTWQESA-N -1 0 754.874 4.689 1 0 KJAFRM Cc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccccc3)cc2)no1 ZINC000299867752 562894931 /nfs/dbraw/zinc/89/49/31/562894931.db2.gz YRVLANAPTLVFNH-JLPGSUDCSA-N -1 0 552.568 4.725 1 0 KJAFRM CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CCC(=O)[C@@H](C)[C@@H]4[C@@H](O)[C@H](O)[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)[O-] ZINC000299867849 562894953 /nfs/dbraw/zinc/89/49/53/562894953.db2.gz QOWMKMSSJMAJGS-WXVDZNDVSA-N -1 0 530.702 4.845 1 0 KJAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2cnccn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299868542 562895123 /nfs/dbraw/zinc/89/51/23/562895123.db2.gz RRWOXTJRRYSTBV-OUKQBFOZSA-N -1 0 597.676 4.727 1 0 KJAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299869219 562895269 /nfs/dbraw/zinc/89/52/69/562895269.db2.gz UGQUUNKEUVGNDD-VAWYXSNFSA-N -1 0 609.687 4.871 1 0 KJAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cncnc3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299869233 562895270 /nfs/dbraw/zinc/89/52/70/562895270.db2.gz UHRLLZGPCQCYCT-VAWYXSNFSA-N -1 0 609.687 4.871 1 0 KJAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299870722 562895566 /nfs/dbraw/zinc/89/55/66/562895566.db2.gz WVUZNAXQMIDFDT-VAWYXSNFSA-N -1 0 609.687 4.871 1 0 KJAFRM Cc1cccc(Nc2ccccc2C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)C3CC3)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2)c1C ZINC000473088718 562897336 /nfs/dbraw/zinc/89/73/36/562897336.db2.gz JOCFKBQCSFVYBE-CQJXGWKGSA-N -1 0 783.005 4.825 1 0 KJAFRM CCOC(=O)COc1cc(=O)c2c([O-])c(OCC(=O)OCC)c(-c3ccc(OC)cc3)oc-2c1CC=C(C)C ZINC000473095111 562897846 /nfs/dbraw/zinc/89/78/46/562897846.db2.gz XDMQAZDIBZRQSZ-UHFFFAOYSA-N -1 0 540.565 4.567 1 0 KJAFRM COc1cccc(C(=O)NCCNc2cccc([N-]S(=O)(=O)c3cc(-c4cccc(C(=O)N(C)C)c4)ccc3OC)c2)c1 ZINC000473111324 562898546 /nfs/dbraw/zinc/89/85/46/562898546.db2.gz AINDCHPKOIXBSO-UHFFFAOYSA-N -1 0 602.713 4.715 1 0 KJAFRM COc1ccc(CNC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4ccco4)C[C@@H]3c3ccc(OC)cc3)cc2)cc1 ZINC000473111586 562898618 /nfs/dbraw/zinc/89/86/18/562898618.db2.gz AJMUJTLFVZKHSU-HHHXNRCGSA-N -1 0 560.632 4.841 1 0 KJAFRM COc1ccc(CNC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4ccco4)C[C@H]3c3ccc(OC)cc3)cc2)cc1 ZINC000473111587 562898607 /nfs/dbraw/zinc/89/86/07/562898607.db2.gz AJMUJTLFVZKHSU-MHZLTWQESA-N -1 0 560.632 4.841 1 0 KJAFRM COC(=O)c1cccc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(NCCNC(=O)c4ccccc4OC)c3)c2)c1 ZINC000473112069 562898665 /nfs/dbraw/zinc/89/86/65/562898665.db2.gz CTKGTXXMHKYDRW-UHFFFAOYSA-N -1 0 589.670 4.800 1 0 KJAFRM COc1ccccc1C(=O)NCCNc1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)c1 ZINC000473112808 562898708 /nfs/dbraw/zinc/89/87/08/562898708.db2.gz GIZWHKMDGUHFKD-UHFFFAOYSA-N -1 0 511.644 4.778 1 0 KJAFRM COc1ccccc1C(=O)NCCNc1cccc([N-]S(=O)(=O)c2cc(-c3cccc(N)c3)ccc2OC)c1 ZINC000473112865 562898729 /nfs/dbraw/zinc/89/87/29/562898729.db2.gz GMYOVBWXRYDURC-UHFFFAOYSA-N -1 0 546.649 4.596 1 0 KJAFRM COc1ncc(-c2cc3c(cn2)nccc3-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000473113284 562898788 /nfs/dbraw/zinc/89/87/88/562898788.db2.gz FLGKHYKWJIFRIX-UHFFFAOYSA-N -1 0 505.506 4.841 1 0 KJAFRM COc1ncc(-c2ccc3nc(NC(=O)NC4CC4)sc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473115343 562898997 /nfs/dbraw/zinc/89/89/97/562898997.db2.gz SETOUQDIHCNCHQ-UHFFFAOYSA-N -1 0 513.576 4.591 1 0 KJAFRM COc1ccccc1C(=O)NCCNc1cccc([N-]S(=O)(=O)c2cc(-c3cccc(C(=O)N(C)C)c3)ccc2OC)c1 ZINC000473115574 562899061 /nfs/dbraw/zinc/89/90/61/562899061.db2.gz UJUQIPRQLKMFJX-UHFFFAOYSA-N -1 0 602.713 4.715 1 0 KJAFRM COc1ncc(-c2ccc3nc(NC(=O)NCC[NH+]4CCCCC4)sc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473115812 562899039 /nfs/dbraw/zinc/89/90/39/562899039.db2.gz UNUKYNBFUYDMTJ-UHFFFAOYSA-N -1 0 584.699 4.914 1 0 KJAFRM COc1ccccc1C(=O)NCCNc1cccc([N-]S(=O)(=O)c2cc(-c3cccc(C(=O)N4CCC4)c3)ccc2OC)c1 ZINC000473117308 562899198 /nfs/dbraw/zinc/89/91/98/562899198.db2.gz YLNLBHUCFXXOMC-UHFFFAOYSA-N -1 0 614.724 4.859 1 0 KJAFRM COc1ccccc1C(=O)NCCNc1ccc(NS(=O)(=O)c2cc(C(C)C)c(C)cc2OC)cc1 ZINC000473117501 562899214 /nfs/dbraw/zinc/89/92/14/562899214.db2.gz ZMKPRTFJKDZBQF-UHFFFAOYSA-N -1 0 511.644 4.778 1 0 KJAFRM C[C@]12CC[C@H](OC(=O)c3ccc(O)cc3)[C@](C)(C(=O)[O-])[C@@H]1CC[C@@]1(C)C[C@@]3(O)[C@H](CC[C@H]21)[C@@]1(C)CC[C@@H](O)[C@](C)(CO)[C@@H]1C[C@@H]3O ZINC000473120500 562899350 /nfs/dbraw/zinc/89/93/50/562899350.db2.gz DLEILUPSFMLCEI-OCSRNINYSA-N -1 0 642.830 4.913 1 0 KJAFRM COc1ccc([C@H]2CC(c3ccco3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc1 ZINC000473122502 562899485 /nfs/dbraw/zinc/89/94/85/562899485.db2.gz SNOUTCCGFORPID-AREMUKBSSA-N -1 0 530.606 4.832 1 0 KJAFRM COc1ccc([C@@H]2CC(c3ccco3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc1 ZINC000473122503 562899509 /nfs/dbraw/zinc/89/95/09/562899509.db2.gz SNOUTCCGFORPID-SANMLTNESA-N -1 0 530.606 4.832 1 0 KJAFRM COc1ncc(-c2ccc3ncnc(-c4ccncc4)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000473122518 562899530 /nfs/dbraw/zinc/89/95/30/562899530.db2.gz SXCSSRFIAVDRJT-UHFFFAOYSA-N -1 0 505.506 4.841 1 0 KJAFRM COc1ncc(-c2cnc3nccc(-c4ccncc4)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000473124787 562899655 /nfs/dbraw/zinc/89/96/55/562899655.db2.gz XCXIIVVDQFXLEN-UHFFFAOYSA-N -1 0 505.506 4.841 1 0 KJAFRM COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)[N-]c1cccc(NCCNC(=O)c2ccccc2N(C)C)c1 ZINC000473134397 562900497 /nfs/dbraw/zinc/90/04/97/562900497.db2.gz BXJSAMKIFDDLGI-UHFFFAOYSA-N -1 0 615.756 4.773 1 0 KJAFRM CNC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1O[C@H]1CCN(C(=O)c2ccc(Br)s2)C1 ZINC000473135741 562900821 /nfs/dbraw/zinc/90/08/21/562900821.db2.gz JYRUUUVBDLXJTK-KRWDZBQOSA-N -1 0 529.412 4.529 1 0 KJAFRM CNC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1O[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1 ZINC000473135742 562900854 /nfs/dbraw/zinc/90/08/54/562900854.db2.gz JYRUUUVBDLXJTK-QGZVFWFLSA-N -1 0 529.412 4.529 1 0 KJAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](Cc2ccccc2)N2C(=O)N[C@@H](Cc3ccc(-c4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000473148673 562901468 /nfs/dbraw/zinc/90/14/68/562901468.db2.gz GVVALIMVTRSBGL-VMPREFPWSA-N -1 0 602.112 4.895 1 0 KJAFRM O=C([N-]S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O ZINC000473149177 562901519 /nfs/dbraw/zinc/90/15/19/562901519.db2.gz IOLZHRHPTTWVJE-NSOVKSMOSA-N -1 0 588.085 4.586 1 0 KJAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C3(C(F)(F)F)CC3)cc2)nc(-c2ncccn2)nc1OCCO ZINC000473149830 562901527 /nfs/dbraw/zinc/90/15/27/562901527.db2.gz KNMSXEUZCWXOAQ-UHFFFAOYSA-N -1 0 603.579 4.500 1 0 KJAFRM 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/nfs/dbraw/zinc/91/41/99/562914199.db2.gz XNQSRMZMKDJXQI-UHFFFAOYSA-N -1 0 512.412 4.920 1 0 KJAFRM COc1ccc(N2C(=O)c3c(c([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)C2=O)c(C)n1 ZINC000653842109 562914876 /nfs/dbraw/zinc/91/48/76/562914876.db2.gz HJFREMUHBHKZEU-UHFFFAOYSA-N -1 0 514.003 4.951 1 0 KJAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(=O)[O-])c1=O ZINC000653842138 562914925 /nfs/dbraw/zinc/91/49/25/562914925.db2.gz PNHKGAONIQWINY-UHFFFAOYSA-N -1 0 532.041 4.667 1 0 KJAFRM COc1ccc(N2C(=O)c3c(c([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)C2=O)c(OC)n1 ZINC000653842157 562914917 /nfs/dbraw/zinc/91/49/17/562914917.db2.gz WGNYGNLZQDEGNT-UHFFFAOYSA-N -1 0 530.002 4.651 1 0 KJAFRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3c2C(=O)N(Cc2ncccc2F)C3=O)cc1 ZINC000653843964 562915058 /nfs/dbraw/zinc/91/50/58/562915058.db2.gz CGUSHNGXBLNVHT-UHFFFAOYSA-N -1 0 501.967 4.769 1 0 KJAFRM COc1cc(CN2C(=O)c3c(c([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)C2=O)ccn1 ZINC000653847507 562915267 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/nfs/dbraw/zinc/91/56/32/562915632.db2.gz CEDZGYPMDYRFHD-UHFFFAOYSA-N -1 0 514.003 4.638 1 0 KJAFRM COc1ccc(CN2C(=O)c3c(c([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)C2=O)cn1 ZINC000653853277 562915652 /nfs/dbraw/zinc/91/56/52/562915652.db2.gz GKQJTBZGTTXLHJ-UHFFFAOYSA-N -1 0 514.003 4.638 1 0 KJAFRM COc1cncc(CN2C(=O)c3c(c([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)C2=O)c1 ZINC000653853303 562915653 /nfs/dbraw/zinc/91/56/53/562915653.db2.gz NZWYHWUKVZCLEO-UHFFFAOYSA-N -1 0 514.003 4.638 1 0 KJAFRM C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(Cl)c3Cl)c2[O-])C[C@H](C)O1 ZINC000653866596 562916228 /nfs/dbraw/zinc/91/62/28/562916228.db2.gz GFQLAMWIFFENOA-PHIMTYICSA-N -1 0 508.811 4.794 1 0 KJAFRM [NH3+][C@@H](CO[P@](=O)([O-])O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1)C(=O)[O-] ZINC000653884745 562916967 /nfs/dbraw/zinc/91/69/67/562916967.db2.gz GMANHEODTFBTTG-ZGIBFIJWSA-N -1 0 629.599 4.627 1 0 KJAFRM [NH3+][C@@H](CO[P@](=O)([O-])OC[C@H]1OCCC[C@H]1OC(=O)CCc1cccc(OCc2cccc(Oc3ccccc3)c2)c1)C(=O)[O-] ZINC000653884762 562916968 /nfs/dbraw/zinc/91/69/68/562916968.db2.gz NIXMIJJLVYWVJI-ZGIBFIJWSA-N -1 0 629.599 4.627 1 0 KJAFRM [NH3+][C@@H](CO[P@](=O)([O-])OC[C@H]1OCCC[C@H]1OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1)C(=O)[O-] ZINC000653884786 562916938 /nfs/dbraw/zinc/91/69/38/562916938.db2.gz YMCSKCJNRCSFCQ-ZGIBFIJWSA-N -1 0 629.599 4.627 1 0 KJAFRM COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCc2ccccc2)CC(=O)[O-])nn1-c1ccc(F)cc1 ZINC000653887785 562917082 /nfs/dbraw/zinc/91/70/82/562917082.db2.gz BKIKIBZQDFIDCV-NRFANRHFSA-N -1 0 517.557 4.902 1 0 KJAFRM Cc1ccc(Oc2cccc(COc3ccccc3CCC(=O)OC[C@H]3OCCC[C@H]3O[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-])c2)cc1 ZINC000653890274 562917177 /nfs/dbraw/zinc/91/71/77/562917177.db2.gz LBSSBBQXJGJPJY-GNSPLJBXSA-N -1 0 643.626 4.935 1 0 KJAFRM CCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O2 ZINC000653890277 562917188 /nfs/dbraw/zinc/91/71/88/562917188.db2.gz NAOJTSWMWDJRDJ-IGKIAQTJSA-N -1 0 536.533 4.638 1 0 KJAFRM CCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O2 ZINC000653890278 562917182 /nfs/dbraw/zinc/91/71/82/562917182.db2.gz NAOJTSWMWDJRDJ-RPLLCQBOSA-N -1 0 536.533 4.638 1 0 KJAFRM CCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O2 ZINC000653890279 562917168 /nfs/dbraw/zinc/91/71/68/562917168.db2.gz NAOJTSWMWDJRDJ-SHQCIBLASA-N -1 0 536.533 4.638 1 0 KJAFRM CCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O2 ZINC000653890280 562917172 /nfs/dbraw/zinc/91/71/72/562917172.db2.gz NAOJTSWMWDJRDJ-SQHAQQRYSA-N -1 0 536.533 4.638 1 0 KJAFRM Cc1ccc(Oc2cccc(COc3ccccc3CCC(=O)O[C@@H]3CCCO[C@@H]3CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-])c2)cc1 ZINC000653893463 562917261 /nfs/dbraw/zinc/91/72/61/562917261.db2.gz RTEJSUMZCQNBPP-GNSPLJBXSA-N -1 0 643.626 4.935 1 0 KJAFRM [NH3+][C@@H](CO[P@](=O)([O-])O[C@@H]1CCCO[C@@H]1COC(=O)CCc1cccc(OCc2cccc(Oc3ccccc3)c2)c1)C(=O)[O-] ZINC000653893464 562917253 /nfs/dbraw/zinc/91/72/53/562917253.db2.gz STLBSGJARDARTI-ZGIBFIJWSA-N -1 0 629.599 4.627 1 0 KJAFRM COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000653899303 562917445 /nfs/dbraw/zinc/91/74/45/562917445.db2.gz REDOMXZTRIJWFC-FQEVSTJZSA-N -1 0 570.618 4.574 1 0 KJAFRM COc1ccc(Cl)cc1-n1c2nc(SCC(=O)[O-])n(-c3ccc(F)cc3)c(=O)c2sc1=S ZINC000003026768 561681453 /nfs/dbraw/zinc/68/14/53/561681453.db2.gz WJVZSSXGCVSVQI-UHFFFAOYSA-N -1 0 509.993 4.945 3 0 KJAFRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000003233550 561681646 /nfs/dbraw/zinc/68/16/46/561681646.db2.gz YATZHBUNHHTTJA-UHFFFAOYSA-N -1 0 510.351 4.548 3 0 KJAFRM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000006146295 561702692 /nfs/dbraw/zinc/70/26/92/561702692.db2.gz NYFPMKXPOLIZLK-UHFFFAOYSA-N -1 0 505.390 4.910 3 0 KJAFRM CCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1ccccc1OC(=O)c1cccs1 ZINC000008829545 561708577 /nfs/dbraw/zinc/70/85/77/561708577.db2.gz YCWPVJLRPGWFPL-JOCHJYFZSA-N -1 0 500.573 4.516 3 0 KJAFRM CCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccccc1OC(=O)c1cccs1 ZINC000008829546 561708535 /nfs/dbraw/zinc/70/85/35/561708535.db2.gz YCWPVJLRPGWFPL-QFIPXVFZSA-N -1 0 500.573 4.516 3 0 KJAFRM COc1cc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000036387303 562060232 /nfs/dbraw/zinc/06/02/32/562060232.db2.gz YRTDHSSXVUTKPG-OZXSUGGESA-N -1 0 523.607 4.909 3 0 KJAFRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000061896339 562702926 /nfs/dbraw/zinc/70/29/26/562702926.db2.gz UPYCLOPECBOOHM-GDLZYMKVSA-N -1 0 504.652 4.690 3 0 KJAFRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000061896340 562702927 /nfs/dbraw/zinc/70/29/27/562702927.db2.gz UPYCLOPECBOOHM-LJAQVGFWSA-N -1 0 504.652 4.690 3 0 KJAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)OCCCC[C@@H](C)O2 ZINC000072134844 562727355 /nfs/dbraw/zinc/72/73/55/562727355.db2.gz KFWAEXWIPZBOTO-BSFYYBBGSA-N -1 0 720.911 4.517 3 0 KJAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000072134881 562727376 /nfs/dbraw/zinc/72/73/76/562727376.db2.gz ZVBRWALMWNTHNS-YZZKKUAISA-N -1 0 640.706 4.952 3 0 KJAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000072135075 562727473 /nfs/dbraw/zinc/72/74/73/562727473.db2.gz XWYASVXGKKAPNO-OUDXUNEISA-N -1 0 634.677 4.890 3 0 KJAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@@H](C)O2 ZINC000072135936 562727674 /nfs/dbraw/zinc/72/76/74/562727674.db2.gz WZGKHESEMXPJAY-YIBRGFOOSA-N -1 0 741.329 4.862 3 0 KJAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000072136657 562728112 /nfs/dbraw/zinc/72/81/12/562728112.db2.gz JACNTXZESBKDOI-HOOSLVGPSA-N -1 0 640.706 4.952 3 0 KJAFRM COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072139757 562729041 /nfs/dbraw/zinc/72/90/41/562729041.db2.gz ZQGMFHBPRQWIQW-ASHZAFPQSA-N -1 0 664.703 4.899 3 0 KJAFRM Cc1ccc(S(=O)(=O)Oc2ccccc2[C@H]2NC(=O)N(CCCC(=O)[O-])C(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000072141259 562729346 /nfs/dbraw/zinc/72/93/46/562729346.db2.gz YTVCOOQMSIPUSR-MUUNZHRXSA-N -1 0 578.643 4.711 3 0 KJAFRM Cc1ccc(S(=O)(=O)Oc2ccccc2[C@@H]2NC(=O)N(CCCC(=O)[O-])C(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000072141260 562729350 /nfs/dbraw/zinc/72/93/50/562729350.db2.gz YTVCOOQMSIPUSR-NDEPHWFRSA-N -1 0 578.643 4.711 3 0 KJAFRM COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095566628 562765154 /nfs/dbraw/zinc/76/51/54/562765154.db2.gz TWGPRTJZJFSGSY-UMDYSXRGSA-N -1 0 723.936 4.674 3 0 KJAFRM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2[n-]cnc2C(=O)Nc2cc(Br)ccc2F)cc1 ZINC000095570414 562768181 /nfs/dbraw/zinc/76/81/81/562768181.db2.gz YZXNLKKAXDNMFN-UHFFFAOYSA-N -1 0 532.370 4.841 3 0 KJAFRM COc1ccc(-n2c(=O)c(Cc3ccccc3)c([O-])nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000101804609 562812171 /nfs/dbraw/zinc/81/21/71/562812171.db2.gz NSDYSXRQXZRSHT-UHFFFAOYSA-N -1 0 507.999 4.922 3 0 KJAFRM COc1cccc(OC)c1-c1nc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cn1-c1ccnc2cc(Cl)ccc21 ZINC000103233101 562818444 /nfs/dbraw/zinc/81/84/44/562818444.db2.gz OUZUXYQXCXYGMX-LJQANCHMSA-N -1 0 522.989 4.987 3 0 KJAFRM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccc(S(=O)(=O)[N-]C(=O)c3ccco3)cc1)CC2 ZINC000146592628 562838716 /nfs/dbraw/zinc/83/87/16/562838716.db2.gz WSFXRZQAHNHCFH-NDEPHWFRSA-N -1 0 532.618 4.563 3 0 KJAFRM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccc(S(=O)(=O)[N-]C(=O)c3ccco3)cc1)CC2 ZINC000146592831 562838723 /nfs/dbraw/zinc/83/87/23/562838723.db2.gz WSFXRZQAHNHCFH-MUUNZHRXSA-N -1 0 532.618 4.563 3 0 KJAFRM