smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760677 836705274 /nfs/dbraw/zinc/70/52/74/836705274.db2.gz VVFDFPWBUBEOEU-VIFPVBQESA-N -1 1 389.805 3.841 20 10 GHCDMM CCCn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C1CC1 ZINC000277630256 847342781 /nfs/dbraw/zinc/34/27/81/847342781.db2.gz XEANLRCCNBTSOF-UHFFFAOYSA-N -1 1 378.270 3.569 20 10 GHCDMM C[C@H](c1ccccc1)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000910372967 851162526 /nfs/dbraw/zinc/16/25/26/851162526.db2.gz LWZXIGORXVWWHO-SIJIIQCFSA-N -1 1 381.432 3.576 20 10 GHCDMM C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc(Br)cc1O ZINC000296433142 853544841 /nfs/dbraw/zinc/54/48/41/853544841.db2.gz LZCYCQBNZKNHNL-MRVPVSSYSA-N -1 1 376.176 3.814 20 10 GHCDMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(Br)c1[O-] ZINC000765755101 856008857 /nfs/dbraw/zinc/00/88/57/856008857.db2.gz ZQIMEVYVDKBEIR-GFCCVEGCSA-N -1 1 390.277 3.727 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(C)c(C)c1O ZINC000187060336 858936454 /nfs/dbraw/zinc/93/64/54/858936454.db2.gz JNVPJWJVZDYRHJ-UHFFFAOYSA-N -1 1 382.441 3.837 20 10 GHCDMM O=C(COC(=O)c1ccc(Br)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000784166874 859438433 /nfs/dbraw/zinc/43/84/33/859438433.db2.gz FOESOHQAKAAREV-UHFFFAOYSA-N -1 1 385.597 3.553 20 10 GHCDMM COc1ccc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000764758839 859597616 /nfs/dbraw/zinc/59/76/16/859597616.db2.gz VPCIQMFMRYCZHY-JTQLQIEISA-N -1 1 397.244 3.863 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cc2c(cc1Cl)OCO2 ZINC000765236182 859851952 /nfs/dbraw/zinc/85/19/52/859851952.db2.gz XBICYYGAOAQLKV-UHFFFAOYSA-N -1 1 399.628 3.859 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)C(=O)CCC2 ZINC000765300693 859896975 /nfs/dbraw/zinc/89/69/75/859896975.db2.gz KIXPQKWIOHFVDM-UHFFFAOYSA-N -1 1 389.249 3.995 20 10 GHCDMM CC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765319626 859913331 /nfs/dbraw/zinc/91/33/31/859913331.db2.gz VHETYTQCPGOYQL-UHFFFAOYSA-N -1 1 377.238 3.987 20 10 GHCDMM COc1ccc2c(c1NC(=O)NCc1cccc(Br)c1[O-])CCC2 ZINC000765387742 859951701 /nfs/dbraw/zinc/95/17/01/859951701.db2.gz FZWRDTWFEMNQNK-UHFFFAOYSA-N -1 1 391.265 3.974 20 10 GHCDMM O=C(NCCc1c[nH]c2ccccc12)NCc1cccc(Br)c1[O-] ZINC000765446483 859973449 /nfs/dbraw/zinc/97/34/49/859973449.db2.gz OTIBUTLIRAKURU-UHFFFAOYSA-N -1 1 388.265 3.678 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1SCCc2ccccc21 ZINC000765728432 860493790 /nfs/dbraw/zinc/49/37/90/860493790.db2.gz RYTKWUHONFXKPF-INIZCTEOSA-N -1 1 378.291 3.802 20 10 GHCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])nn1[C@@H](C)C1CC1 ZINC000765751118 860564398 /nfs/dbraw/zinc/56/43/98/860564398.db2.gz OIMRCPUAQICYLV-NSHDSACASA-N -1 1 378.270 3.561 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1-c1ccsc1 ZINC000765752464 860568811 /nfs/dbraw/zinc/56/88/11/860568811.db2.gz WGGBTUCSPDWHNO-UHFFFAOYSA-N -1 1 378.251 3.536 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(C)=O)C3(CCCCC3)C2)c1[O-] ZINC000766253943 865911855 /nfs/dbraw/zinc/91/18/55/865911855.db2.gz NDRNTNAWHZKPPL-UHFFFAOYSA-N -1 1 378.900 3.615 20 10 GHCDMM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000742443342 867296480 /nfs/dbraw/zinc/29/64/80/867296480.db2.gz FQLIJPOHTZDNJK-INIZCTEOSA-N -1 1 397.313 3.794 20 10 GHCDMM Cc1cc(C(=O)C[N@H+]2CC[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000263575244 870296419 /nfs/dbraw/zinc/29/64/19/870296419.db2.gz OSUNNWCEOIAEQW-AWEZNQCLSA-N -1 1 394.393 3.702 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000263575244 870296427 /nfs/dbraw/zinc/29/64/27/870296427.db2.gz OSUNNWCEOIAEQW-AWEZNQCLSA-N -1 1 394.393 3.702 20 10 GHCDMM C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193220875 870952806 /nfs/dbraw/zinc/95/28/06/870952806.db2.gz ZBXJDIGDBRHCIX-NWDGAFQWSA-N -1 1 398.887 3.517 20 10 GHCDMM O=S(=O)([N-]Cc1c(O)cccc1F)c1c(Cl)cccc1C(F)(F)F ZINC001195138181 872194257 /nfs/dbraw/zinc/19/42/57/872194257.db2.gz UXKKNQVKJNOEBN-UHFFFAOYSA-N -1 1 383.750 3.682 20 10 GHCDMM C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000857875506 882605479 /nfs/dbraw/zinc/60/54/79/882605479.db2.gz QSGIBDHIHHXXFA-MGPLVRAMSA-N -1 1 393.256 3.658 20 10 GHCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(Oc2ccncc2)cc1 ZINC001201617478 875793094 /nfs/dbraw/zinc/79/30/94/875793094.db2.gz QRNFQPPVXRBJFO-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1[O-] ZINC000785838657 876275930 /nfs/dbraw/zinc/27/59/30/876275930.db2.gz BTOSRBYKPPQPDX-OAHLLOKOSA-N -1 1 378.831 3.826 20 10 GHCDMM COC(=O)c1c[n-]c(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)n1 ZINC000776434566 876488802 /nfs/dbraw/zinc/48/88/02/876488802.db2.gz VYJRXNIRMFDNMI-UHFFFAOYSA-N -1 1 387.436 3.718 20 10 GHCDMM C[C@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1nnnn1C1CC1 ZINC000790753798 879956264 /nfs/dbraw/zinc/95/62/64/879956264.db2.gz FQPYTLZHFIRZGK-YUMQZZPRSA-N -1 1 386.681 3.541 20 10 GHCDMM CC(C)Cc1ccccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000858811167 883372934 /nfs/dbraw/zinc/37/29/34/883372934.db2.gz WJGTWNJJVXXCBK-UHFFFAOYSA-N -1 1 387.461 3.679 20 10 GHCDMM CCOC1CC2(C1)CC[N@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000795721885 912711594 /nfs/dbraw/zinc/71/15/94/912711594.db2.gz XTXUAZJYILHTRC-UHFFFAOYSA-N -1 1 381.472 3.720 20 10 GHCDMM CCOC1CC2(C1)CC[N@@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000795721885 912711601 /nfs/dbraw/zinc/71/16/01/912711601.db2.gz XTXUAZJYILHTRC-UHFFFAOYSA-N -1 1 381.472 3.720 20 10 GHCDMM CCOc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc(Cl)c1[O-] ZINC000762622548 886531094 /nfs/dbraw/zinc/53/10/94/886531094.db2.gz MPLMBMNHPHMZBB-UHFFFAOYSA-N -1 1 375.852 3.959 20 10 GHCDMM CCN(CC)c1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1F ZINC000763250779 888390009 /nfs/dbraw/zinc/39/00/09/888390009.db2.gz PHWOECQVEVXQRS-UHFFFAOYSA-N -1 1 380.847 3.970 20 10 GHCDMM O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)c1ccc([O-])c(O)c1 ZINC000916590522 889152453 /nfs/dbraw/zinc/15/24/53/889152453.db2.gz JLGIFWJMXIRBPJ-UHFFFAOYSA-N -1 1 391.423 3.955 20 10 GHCDMM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590426 889152666 /nfs/dbraw/zinc/15/26/66/889152666.db2.gz ZQJZZWNTQACCTJ-SECBINFHSA-N -1 1 385.199 3.598 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2ncc(Br)cn2)c1[O-] ZINC000814655632 893009247 /nfs/dbraw/zinc/00/92/47/893009247.db2.gz UEFDBNBWKXUNJF-MRVPVSSYSA-N -1 1 384.661 3.652 20 10 GHCDMM CC(C)O[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000816496297 894863140 /nfs/dbraw/zinc/86/31/40/894863140.db2.gz DLBMHEFAJFHOAI-KRWDZBQOSA-N -1 1 378.266 3.937 20 10 GHCDMM CC[C@]1(c2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2)CCC(=O)NC1=O ZINC000816525154 894923988 /nfs/dbraw/zinc/92/39/88/894923988.db2.gz HOJHTECGZCFXSX-HXUWFJFHSA-N -1 1 390.842 3.881 20 10 GHCDMM Cn1cc(C(F)F)c(CNCc2cc(Cl)cc(Br)c2[O-])n1 ZINC000883198933 897361560 /nfs/dbraw/zinc/36/15/60/897361560.db2.gz SXHGHFHMORQJCV-UHFFFAOYSA-N -1 1 380.620 3.769 20 10 GHCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001182570074 911875021 /nfs/dbraw/zinc/87/50/21/911875021.db2.gz VENIUCWTGRNQGG-CQSZACIVSA-N -1 1 386.206 3.757 20 10 GHCDMM Cc1cc(C(=O)Nc2ccncc2[O-])c(C)n1-c1ccccc1Br ZINC001182626818 911909365 /nfs/dbraw/zinc/90/93/65/911909365.db2.gz LJZIHPSLXCHCHZ-UHFFFAOYSA-N -1 1 386.249 3.631 20 10 GHCDMM COc1c([O-])c(CN2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775095086 915073102 /nfs/dbraw/zinc/07/31/02/915073102.db2.gz AQPBHVQJRZJNDN-SJKOYZFVSA-N -1 1 392.839 3.924 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccc([O-])c(O)c1 ZINC000796390396 916337131 /nfs/dbraw/zinc/33/71/31/916337131.db2.gz IPOJJDZHUDUTLC-UONOGXRCSA-N -1 1 396.317 3.526 20 10 GHCDMM O=C(c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1)N1CCC[C@H](CO)C1 ZINC000294353718 916759076 /nfs/dbraw/zinc/75/90/76/916759076.db2.gz SVKQNSYRHQGVAJ-ZDUSSCGKSA-N -1 1 392.858 3.641 20 10 GHCDMM Cc1cc(Br)cc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001191301044 917904921 /nfs/dbraw/zinc/90/49/21/917904921.db2.gz QUHHJOFNWZIEME-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM O=C(NCCc1cccc2[nH]ccc21)NCc1cccc(Br)c1[O-] ZINC000800744763 920414409 /nfs/dbraw/zinc/41/44/09/920414409.db2.gz SZRDWNKEWRZQAG-UHFFFAOYSA-N -1 1 388.265 3.678 20 10 GHCDMM C[C@H]1[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCC12CCOCC2 ZINC000758272542 929998081 /nfs/dbraw/zinc/99/80/81/929998081.db2.gz JJLZRQYWQAWSMK-MRXNPFEDSA-N -1 1 381.472 3.720 20 10 GHCDMM C[C@H]1[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCC12CCOCC2 ZINC000758272542 929998085 /nfs/dbraw/zinc/99/80/85/929998085.db2.gz JJLZRQYWQAWSMK-MRXNPFEDSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C([O-])CCCN1C(=O)/C(=C/c2cc(Cl)c(O)cc2Cl)SC1=S ZINC000759036518 930251933 /nfs/dbraw/zinc/25/19/33/930251933.db2.gz WPOAZBPDTPVUJZ-WZUFQYTHSA-N -1 1 392.285 3.765 20 10 GHCDMM COC(=O)CN(Cc1ccccc1)Cc1cc(C)cc(Br)c1[O-] ZINC000781898557 931016259 /nfs/dbraw/zinc/01/62/59/931016259.db2.gz ZKCLYFZXOWWZLG-UHFFFAOYSA-N -1 1 378.266 3.638 20 10 GHCDMM O=C(COC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc([O-])c(O)c1 ZINC000782798470 931337054 /nfs/dbraw/zinc/33/70/54/931337054.db2.gz PQPWKFBNDVSTIQ-UHFFFAOYSA-N -1 1 397.427 3.656 20 10 GHCDMM O=C(COC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1ccc([O-])c(O)c1 ZINC000783011689 931384851 /nfs/dbraw/zinc/38/48/51/931384851.db2.gz UVIQGVQDHSSFIF-NRFANRHFSA-N -1 1 378.380 3.644 20 10 GHCDMM Cc1cc(C)c(C(=O)CCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000783063383 931399917 /nfs/dbraw/zinc/39/99/17/931399917.db2.gz NYPMJUJZQDDSGC-UHFFFAOYSA-N -1 1 384.428 3.802 20 10 GHCDMM O=C(COC(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccc([O-])c(O)c1 ZINC000783176965 931447676 /nfs/dbraw/zinc/44/76/76/931447676.db2.gz ZSUVNBRUYVNYHZ-UHFFFAOYSA-N -1 1 395.845 3.976 20 10 GHCDMM Cc1cccc(COCc2cnc3n2CCN(Cc2c([O-])cccc2F)[C@@H]3C)n1 ZINC001137834434 935813383 /nfs/dbraw/zinc/81/33/83/935813383.db2.gz GRMYJKZTEWKSQC-MRXNPFEDSA-N -1 1 396.466 3.725 20 10 GHCDMM O=C(Nc1cnc2cc(Cl)ccc2c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155221335 1032462261 /nfs/dbraw/zinc/46/22/61/1032462261.db2.gz BZSGAHWGBWLUCT-UHFFFAOYSA-N -1 1 382.759 3.658 20 10 GHCDMM Cc1nc2cc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)c(C)cc2s1 ZINC001155227621 1032463455 /nfs/dbraw/zinc/46/34/55/1032463455.db2.gz CARRGOOPEOTXAA-UHFFFAOYSA-N -1 1 382.397 3.683 20 10 GHCDMM CCN(CC)c1ccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c(C)c1 ZINC001155227930 1032464227 /nfs/dbraw/zinc/46/42/27/1032464227.db2.gz HEEMOFNGFHYZIV-UHFFFAOYSA-N -1 1 382.416 3.611 20 10 GHCDMM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227828 1032464483 /nfs/dbraw/zinc/46/44/83/1032464483.db2.gz FRECUJODIAOKSV-UHFFFAOYSA-N -1 1 397.717 3.711 20 10 GHCDMM COC(=O)C[C@H]1CCC[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579951 1032470295 /nfs/dbraw/zinc/47/02/95/1032470295.db2.gz CCRUGBOCIILFRE-UONOGXRCSA-N -1 1 394.423 3.668 20 10 GHCDMM O=C(NCCc1ccccc1Br)NCc1cccc(Cl)c1[O-] ZINC001227767660 1032594104 /nfs/dbraw/zinc/59/41/04/1032594104.db2.gz LCSOVNCTNFIIRG-UHFFFAOYSA-N -1 1 383.673 3.850 20 10 GHCDMM COc1cc(NC(=O)NCc2cccc(Cl)c2[O-])c(OC)c(C)c1OC ZINC001204180872 1032632313 /nfs/dbraw/zinc/63/23/13/1032632313.db2.gz QJYUQUMQSMRUTN-UHFFFAOYSA-N -1 1 380.828 3.702 20 10 GHCDMM COc1ccc([C@H](C)Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)cn1 ZINC001228116323 1032790520 /nfs/dbraw/zinc/79/05/20/1032790520.db2.gz YXIRKQSNDGYEHV-LBPRGKRZSA-N -1 1 381.384 3.578 20 10 GHCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC3CCSCC3)c21 ZINC001228194985 1032834126 /nfs/dbraw/zinc/83/41/26/1032834126.db2.gz SHKCISLNDXYSSA-QGZVFWFLSA-N -1 1 388.441 3.784 20 10 GHCDMM CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140468515 1021765358 /nfs/dbraw/zinc/76/53/58/1021765358.db2.gz NNVQZCRUQNIGKS-IBGZPJMESA-N -1 1 375.852 3.717 20 10 GHCDMM C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(Br)c(F)cc1[O-] ZINC000756840288 1023830937 /nfs/dbraw/zinc/83/09/37/1023830937.db2.gz KYUFHNBGQCLBMV-SECBINFHSA-N -1 1 395.228 3.822 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CSc2ccccc21 ZINC001228940580 1033191392 /nfs/dbraw/zinc/19/13/92/1033191392.db2.gz KXQLKTSLCPRGIV-GFCCVEGCSA-N -1 1 393.306 3.843 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])C[C@H]1C(F)(F)F ZINC001138131352 1024186452 /nfs/dbraw/zinc/18/64/52/1024186452.db2.gz XRPXZDIAOGBYPJ-ZDUSSCGKSA-N -1 1 378.366 3.515 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(c2ncccn2)CC1 ZINC001141373323 1024762151 /nfs/dbraw/zinc/76/21/51/1024762151.db2.gz YTZOJCHZKOSFTM-UHFFFAOYSA-N -1 1 382.689 3.978 20 10 GHCDMM Cc1cncnc1O[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141377531 1024775131 /nfs/dbraw/zinc/77/51/31/1024775131.db2.gz RNRSAQMJPYWJAI-CYBMUJFWSA-N -1 1 398.688 3.560 20 10 GHCDMM C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C[C@@]1(C)O ZINC001203565297 1027437224 /nfs/dbraw/zinc/43/72/24/1027437224.db2.gz ZBUTYBLBIYHYQN-YMTOWFKASA-N -1 1 393.119 3.510 20 10 GHCDMM COc1ccccc1[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841799126 1028944708 /nfs/dbraw/zinc/94/47/08/1028944708.db2.gz PWHMPPRFQSSTKH-HXUWFJFHSA-N -1 1 399.447 3.509 20 10 GHCDMM COc1ccc(CN[C@H](C(=O)[O-])c2cc(Br)ccc2OC)cc1C ZINC000841805973 1028953307 /nfs/dbraw/zinc/95/33/07/1028953307.db2.gz NIGWJAIXIFKQJZ-KRWDZBQOSA-N -1 1 394.265 3.690 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(N2CCCC2=O)cc1 ZINC001225082923 1031250176 /nfs/dbraw/zinc/25/01/76/1031250176.db2.gz HIMASKFAELNEJC-ZDUSSCGKSA-N -1 1 387.867 3.733 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c(O[C@H]3CCCc4cccnc43)cc([O-])c(O)c21 ZINC001229197446 1033335686 /nfs/dbraw/zinc/33/56/86/1033335686.db2.gz OZYGEHWKEHFQJS-INIZCTEOSA-N -1 1 387.391 3.725 20 10 GHCDMM O=C1N(CC2CCCC2)CC[C@@]12CCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277387627 1033483874 /nfs/dbraw/zinc/48/38/74/1033483874.db2.gz MROICDNWXOIJSZ-FQEVSTJZSA-N -1 1 380.891 3.942 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(NC(=O)c2cccnc2)c1 ZINC001159033475 1034391843 /nfs/dbraw/zinc/39/18/43/1034391843.db2.gz JBTUEJBQPRFNPX-UHFFFAOYSA-N -1 1 381.819 3.623 20 10 GHCDMM CCn1ncc2c1CN(Cc1cccc(Cl)c1[O-])C[C@@H]2COCC1CC1 ZINC001231909529 1034984792 /nfs/dbraw/zinc/98/47/92/1034984792.db2.gz BUJFHBNZRLJMJO-MRXNPFEDSA-N -1 1 375.900 3.788 20 10 GHCDMM COC(=O)c1ccc2c(c1)CCN2Cc1cc(Br)cc(F)c1[O-] ZINC001462123683 1070015542 /nfs/dbraw/zinc/01/55/42/1070015542.db2.gz BGNWHBSHWHSZAW-UHFFFAOYSA-N -1 1 380.213 3.643 20 10 GHCDMM O=C(c1cc2ccccc2s1)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001462172382 1070051868 /nfs/dbraw/zinc/05/18/68/1070051868.db2.gz AKQZOKULIQSNBB-UHFFFAOYSA-N -1 1 388.439 3.843 20 10 GHCDMM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])c2ccccc2NC1=O ZINC001462234445 1070107688 /nfs/dbraw/zinc/10/76/88/1070107688.db2.gz KQCWPWVCSMONBS-JTQLQIEISA-N -1 1 379.229 3.889 20 10 GHCDMM Cn1nc(COCC2CC2)c2c1CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233417900 1039276860 /nfs/dbraw/zinc/27/68/60/1039276860.db2.gz MJIPWDGHOHYCSF-UHFFFAOYSA-N -1 1 395.425 3.629 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001233497960 1039393311 /nfs/dbraw/zinc/39/33/11/1039393311.db2.gz SGDQUGWIXMDWDY-GOSISDBHSA-N -1 1 391.464 3.859 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001234473804 1040057529 /nfs/dbraw/zinc/05/75/29/1040057529.db2.gz KFBBTCZYWUQMAW-YVEFUNNKSA-N -1 1 379.453 3.715 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001234474380 1040057808 /nfs/dbraw/zinc/05/78/08/1040057808.db2.gz RRQSRYHSNKVDMO-RXVVDRJESA-N -1 1 391.464 3.859 20 10 GHCDMM CC[C@@H]1[N@@H+](Cc2cc(F)cc(Br)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001235299428 1040770857 /nfs/dbraw/zinc/77/08/57/1040770857.db2.gz UMXRVGSMPHWPPM-YJBOKZPZSA-N -1 1 399.304 3.659 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001237080437 1042027075 /nfs/dbraw/zinc/02/70/75/1042027075.db2.gz MBWKDEUGYXIUPP-UHFFFAOYSA-N -1 1 392.290 3.546 20 10 GHCDMM COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237086580 1042029710 /nfs/dbraw/zinc/02/97/10/1042029710.db2.gz MNCGXPMSOJEHKJ-MSOLQXFVSA-N -1 1 396.270 3.814 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001237121048 1042048778 /nfs/dbraw/zinc/04/87/78/1042048778.db2.gz IJLZQXMVBHVZMR-RPVQJOFSSA-N -1 1 392.858 3.638 20 10 GHCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2c1cnn2CC1CC1 ZINC001237123221 1042050680 /nfs/dbraw/zinc/05/06/80/1042050680.db2.gz IWTKZCRGHOKFEP-AWEZNQCLSA-N -1 1 393.890 3.927 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237124840 1042052484 /nfs/dbraw/zinc/05/24/84/1042052484.db2.gz OGXMMNJVSJBDIQ-UHFFFAOYSA-N -1 1 398.869 3.997 20 10 GHCDMM Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC001237598771 1042277623 /nfs/dbraw/zinc/27/76/23/1042277623.db2.gz JQPNEQZDZACJIQ-UHFFFAOYSA-N -1 1 386.860 3.954 20 10 GHCDMM COc1ccc2c(c1)CN(Cc1cccc(I)c1[O-])C2 ZINC001237779404 1042365745 /nfs/dbraw/zinc/36/57/45/1042365745.db2.gz GCDLNHYPYZKMBU-UHFFFAOYSA-N -1 1 381.213 3.521 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2cn(CC3CC3)nc21 ZINC001237938591 1042429538 /nfs/dbraw/zinc/42/95/38/1042429538.db2.gz KXPAJAFQPJEQFV-INIZCTEOSA-N -1 1 393.890 3.927 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237938601 1042429553 /nfs/dbraw/zinc/42/95/53/1042429553.db2.gz LCOLTXURLLDGAW-DFQSSKMNSA-N -1 1 392.858 3.528 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@@]1(F)CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941648 1042431521 /nfs/dbraw/zinc/43/15/21/1042431521.db2.gz ZYTYULJXVSYULF-KRWDZBQOSA-N -1 1 376.831 3.623 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1F ZINC001237949468 1042435177 /nfs/dbraw/zinc/43/51/77/1042435177.db2.gz MQCGQJUMJVINRN-OCCSQVGLSA-N -1 1 376.831 3.622 20 10 GHCDMM O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc(Oc2ccccn2)cc1 ZINC001260145784 1045395908 /nfs/dbraw/zinc/39/59/08/1045395908.db2.gz CKSUFVGDRCKMNB-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(Cl)c2nonc21 ZINC001261072870 1045888925 /nfs/dbraw/zinc/88/89/25/1045888925.db2.gz JIKXYRSZNWYQGI-UHFFFAOYSA-N -1 1 380.159 3.609 20 10 GHCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1nn(-c2ccccc2F)cc1[O-] ZINC001298840760 1045963914 /nfs/dbraw/zinc/96/39/14/1045963914.db2.gz HKHBBRKDCNJEJV-UHFFFAOYSA-N -1 1 396.205 3.659 20 10 GHCDMM O=C(COCCc1ccc(Br)cc1)NCc1cccc(Cl)c1[O-] ZINC001305083797 1047879796 /nfs/dbraw/zinc/87/97/96/1047879796.db2.gz DFYNINLPBBVWNK-UHFFFAOYSA-N -1 1 398.684 3.684 20 10 GHCDMM O=C(Cc1ccsc1)N1CCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279663834 1047903740 /nfs/dbraw/zinc/90/37/40/1047903740.db2.gz GWVGDVSHJACJDX-UHFFFAOYSA-N -1 1 397.327 3.790 20 10 GHCDMM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279664109 1047903937 /nfs/dbraw/zinc/90/39/37/1047903937.db2.gz RWSUTOIXBMYWFO-OKILXGFUSA-N -1 1 397.327 3.788 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NCCC2=CCCCC2)c1[O-] ZINC001308097938 1049843836 /nfs/dbraw/zinc/84/38/36/1049843836.db2.gz UTWDXTVFUSVXEJ-UHFFFAOYSA-N -1 1 378.900 3.687 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CNc1ccc2[nH]nnc2c1 ZINC001308314696 1049946827 /nfs/dbraw/zinc/94/68/27/1049946827.db2.gz WDYLQSZZQFWTPQ-UHFFFAOYSA-N -1 1 398.058 3.801 20 10 GHCDMM CCn1cc(NCc2cc(Br)cc(Br)c2[O-])cn1 ZINC001308332060 1049951233 /nfs/dbraw/zinc/95/12/33/1049951233.db2.gz KGRUZHBYHTZPKW-UHFFFAOYSA-N -1 1 375.064 3.746 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCn3nc(C(C)(C)C)cc3C2)c1 ZINC001308963686 1050224229 /nfs/dbraw/zinc/22/42/29/1050224229.db2.gz QQFVCMJWHFIPKX-UHFFFAOYSA-N -1 1 378.314 3.973 20 10 GHCDMM CC(C)(C)OC(=O)c1cncc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001310933400 1051715524 /nfs/dbraw/zinc/71/55/24/1051715524.db2.gz PDDOAYJESAPRSH-UHFFFAOYSA-N -1 1 377.828 3.718 20 10 GHCDMM O=C(COC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc([O-])c(O)c1 ZINC001320884029 1055998331 /nfs/dbraw/zinc/99/83/31/1055998331.db2.gz VNIREVHNDYBOCQ-UHFFFAOYSA-N -1 1 380.318 3.574 20 10 GHCDMM CC(C)(C)Nc1ccccc1NC(=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC001338814862 1058807457 /nfs/dbraw/zinc/80/74/57/1058807457.db2.gz PNILNKKWEZVXJO-UHFFFAOYSA-N -1 1 375.856 3.511 20 10 GHCDMM COc1cc(Cl)c(F)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001448964399 1060307589 /nfs/dbraw/zinc/30/75/89/1060307589.db2.gz RAQFAMLLBNPBGT-UHFFFAOYSA-N -1 1 388.620 3.886 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnn(Cc2ccccc2Cl)c1 ZINC001457037247 1062956556 /nfs/dbraw/zinc/95/65/56/1062956556.db2.gz KWRDZVBHXAOFOF-UHFFFAOYSA-N -1 1 376.243 3.874 20 10 GHCDMM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752948 1068121155 /nfs/dbraw/zinc/12/11/55/1068121155.db2.gz KGJMMVVMAFNNKG-UHFFFAOYSA-N -1 1 397.250 3.715 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccccc1Cl ZINC000823504490 599310155 /nfs/dbraw/zinc/31/01/55/599310155.db2.gz QVTLFOMTBCMUJS-KPKJPENVSA-N -1 1 389.849 3.519 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccccc1Cl ZINC000823504490 599310158 /nfs/dbraw/zinc/31/01/58/599310158.db2.gz QVTLFOMTBCMUJS-KPKJPENVSA-N -1 1 389.849 3.519 20 10 GHCDMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000821496936 606394010 /nfs/dbraw/zinc/39/40/10/606394010.db2.gz LPXPOIJZDFCZPD-NTEUORMPSA-N -1 1 399.526 3.896 20 10 GHCDMM COc1ccc(C[N@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])cc1 ZINC000728193844 835090755 /nfs/dbraw/zinc/09/07/55/835090755.db2.gz DRNKUUSYXPYKDL-UHFFFAOYSA-N -1 1 377.440 3.969 20 10 GHCDMM COc1ccc(C[N@@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])cc1 ZINC000728193844 835090763 /nfs/dbraw/zinc/09/07/63/835090763.db2.gz DRNKUUSYXPYKDL-UHFFFAOYSA-N -1 1 377.440 3.969 20 10 GHCDMM [O-]c1c(Br)cccc1CNc1nc2ccc(Br)cn2n1 ZINC000195050760 840394840 /nfs/dbraw/zinc/39/48/40/840394840.db2.gz ZJQRSMXUWWZGQZ-UHFFFAOYSA-N -1 1 398.058 3.572 20 10 GHCDMM CC(C)CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000023938792 842514460 /nfs/dbraw/zinc/51/44/60/842514460.db2.gz YHRZEEQKRDKUPN-UHFFFAOYSA-N -1 1 398.484 3.829 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccccc1N1CCC(O)CC1 ZINC000894415449 851246215 /nfs/dbraw/zinc/24/62/15/851246215.db2.gz MUMHWCKUTCNAIG-UHFFFAOYSA-N -1 1 395.272 3.867 20 10 GHCDMM Cc1ccc(C)c(OCc2nnc(SCC(=O)c3ccc([O-])c(O)c3)o2)c1 ZINC000028872601 852188874 /nfs/dbraw/zinc/18/88/74/852188874.db2.gz KKWJXMCIDNGJSS-UHFFFAOYSA-N -1 1 386.429 3.652 20 10 GHCDMM O=C(CNc1c(Cl)nc(Cl)nc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001170314183 881343822 /nfs/dbraw/zinc/34/38/22/881343822.db2.gz RBHVYRSEUAAZSP-UHFFFAOYSA-N -1 1 382.125 3.508 20 10 GHCDMM CSc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764765213 859600964 /nfs/dbraw/zinc/60/09/64/859600964.db2.gz AQQZXXDOMMDMBA-UHFFFAOYSA-N -1 1 381.295 3.876 20 10 GHCDMM Cc1ccc(O[C@H](C)CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764790155 859610013 /nfs/dbraw/zinc/61/00/13/859610013.db2.gz HPJKQVKOOZPWHD-CYBMUJFWSA-N -1 1 393.281 3.730 20 10 GHCDMM CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C12CCCC2 ZINC000764790937 859611113 /nfs/dbraw/zinc/61/11/13/859611113.db2.gz KXLJWZUEPWTEMX-LSDHHAIUSA-N -1 1 397.313 3.692 20 10 GHCDMM CN(C)C(=O)c1cnc(NCc2cccc(Br)c2[O-])c(Cl)c1 ZINC000764933415 859689309 /nfs/dbraw/zinc/68/93/09/859689309.db2.gz CVJJDOXHUQYRAQ-UHFFFAOYSA-N -1 1 384.661 3.517 20 10 GHCDMM CC(C)(C)S(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])cn1 ZINC000764934874 859690425 /nfs/dbraw/zinc/69/04/25/859690425.db2.gz PSJRUEQPZXPLOM-UHFFFAOYSA-N -1 1 399.310 3.734 20 10 GHCDMM COc1cc(C)c(NC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765350337 859933633 /nfs/dbraw/zinc/93/36/33/859933633.db2.gz XFDBIQLGSRCNOZ-UHFFFAOYSA-N -1 1 383.217 3.933 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837296 859999204 /nfs/dbraw/zinc/99/92/04/859999204.db2.gz KTEJLNFXIFBXJH-LBPRGKRZSA-N -1 1 388.611 3.555 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000765534665 860106827 /nfs/dbraw/zinc/10/68/27/860106827.db2.gz LXDFORVHWJDCTN-USXIJHARSA-N -1 1 387.277 3.682 20 10 GHCDMM CCCNc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765636377 860371277 /nfs/dbraw/zinc/37/12/77/860371277.db2.gz VEMXWHONRMMJAG-UHFFFAOYSA-N -1 1 392.297 3.976 20 10 GHCDMM COc1ccc2[nH]cc(CC(=O)NCc3cccc(Br)c3[O-])c2c1 ZINC000765726671 860484038 /nfs/dbraw/zinc/48/40/38/860484038.db2.gz IVAPXKOKZAKYFI-UHFFFAOYSA-N -1 1 389.249 3.504 20 10 GHCDMM C[C@H](CCOc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765728582 860491599 /nfs/dbraw/zinc/49/15/99/860491599.db2.gz WJFXFESAMPXLSX-CYBMUJFWSA-N -1 1 378.266 3.876 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(-c2ccco2)s1 ZINC000765751106 860565584 /nfs/dbraw/zinc/56/55/84/860565584.db2.gz NWDNYUCEXJRIIF-UHFFFAOYSA-N -1 1 379.235 3.801 20 10 GHCDMM Cc1ccc(Cl)c(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765748528 860566091 /nfs/dbraw/zinc/56/60/91/860566091.db2.gz VYWAEVCSJOAABW-UHFFFAOYSA-N -1 1 384.657 3.812 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000792701950 881628905 /nfs/dbraw/zinc/62/89/05/881628905.db2.gz IYHHFENQXBCKKC-UHFFFAOYSA-N -1 1 388.308 3.986 20 10 GHCDMM COc1cccc(C(F)(F)F)c1CNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236459 870964359 /nfs/dbraw/zinc/96/43/59/870964359.db2.gz DEKHRYPSNCBCBI-UHFFFAOYSA-N -1 1 375.730 3.709 20 10 GHCDMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115490367 882500119 /nfs/dbraw/zinc/50/01/19/882500119.db2.gz UZWAODANTLXALG-UHFFFAOYSA-N -1 1 395.532 3.607 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@@H]2CC2CCCCC2)c1[O-] ZINC001195249146 872279605 /nfs/dbraw/zinc/27/96/05/872279605.db2.gz DJRYPLAXGADUQK-SFHVURJKSA-N -1 1 378.900 3.519 20 10 GHCDMM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775668362 872564841 /nfs/dbraw/zinc/56/48/41/872564841.db2.gz XIVJHEQJWJDWNH-OAHLLOKOSA-N -1 1 381.810 3.720 20 10 GHCDMM CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001196124727 872910204 /nfs/dbraw/zinc/91/02/04/872910204.db2.gz OJEVLQDXGVSUTR-KRWDZBQOSA-N -1 1 377.824 3.504 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3oc4ccccc4c3c2)c1 ZINC000769629798 874176879 /nfs/dbraw/zinc/17/68/79/874176879.db2.gz GDQPYQAYRSGHPO-UHFFFAOYSA-N -1 1 396.424 3.915 20 10 GHCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(Oc2ccncc2)cc1 ZINC001201622358 875797618 /nfs/dbraw/zinc/79/76/18/875797618.db2.gz GGIJHCDUWWIZPA-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](Oc3ncccc3F)C2)c1[O-] ZINC000785838654 876275609 /nfs/dbraw/zinc/27/56/09/876275609.db2.gz BTOSRBYKPPQPDX-HNNXBMFYSA-N -1 1 378.831 3.826 20 10 GHCDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789597956 879105642 /nfs/dbraw/zinc/10/56/42/879105642.db2.gz UCMCQDRHUUQLCG-QGZVFWFLSA-N -1 1 379.287 3.932 20 10 GHCDMM CC[C@H](NC(c1ccnn1C)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858584447 883213327 /nfs/dbraw/zinc/21/33/27/883213327.db2.gz SUECQLNVQIYNKI-ZDUSSCGKSA-N -1 1 394.306 3.996 20 10 GHCDMM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(F)c(F)c2O)SC1=S ZINC000864363856 887727734 /nfs/dbraw/zinc/72/77/34/887727734.db2.gz WXLTUXCNSZYBKQ-FLIBITNWSA-N -1 1 387.429 3.517 20 10 GHCDMM O=C([O-])[C@@H](CC[NH2+]Cc1c([O-])cccc1Br)Cc1ccccc1 ZINC000864505687 887809992 /nfs/dbraw/zinc/80/99/92/887809992.db2.gz QTRWTBJLVQKFOP-AWEZNQCLSA-N -1 1 378.266 3.578 20 10 GHCDMM Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590362 889150810 /nfs/dbraw/zinc/15/08/10/889150810.db2.gz SGMHNFHKGCJNQL-UHFFFAOYSA-N -1 1 387.775 3.754 20 10 GHCDMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2Cl)cc1C(=O)[O-] ZINC001184695729 913362275 /nfs/dbraw/zinc/36/22/75/913362275.db2.gz FNAMTZIUUIJRQN-UHFFFAOYSA-N -1 1 376.217 3.506 20 10 GHCDMM COCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000811970767 890179368 /nfs/dbraw/zinc/17/93/68/890179368.db2.gz NLTHQODBFABEOX-UHFFFAOYSA-N -1 1 385.302 3.551 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2ncc(Br)cn2)c1[O-] ZINC000814655633 893009809 /nfs/dbraw/zinc/00/98/09/893009809.db2.gz UEFDBNBWKXUNJF-QMMMGPOBSA-N -1 1 384.661 3.652 20 10 GHCDMM Cc1cc(Br)c([O-])c([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)c1 ZINC000877857695 893860727 /nfs/dbraw/zinc/86/07/27/893860727.db2.gz XRASQHVMNFDNRG-MRXNPFEDSA-N -1 1 375.266 3.877 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774878624 913868767 /nfs/dbraw/zinc/86/87/67/913868767.db2.gz UWDSSVICHFOQAI-MRXNPFEDSA-N -1 1 378.812 3.536 20 10 GHCDMM COc1c([O-])c(CN2CC(OCc3cccc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000774911463 914012426 /nfs/dbraw/zinc/01/24/26/914012426.db2.gz DNCVAQSZEOAHQE-UHFFFAOYSA-N -1 1 394.427 3.863 20 10 GHCDMM C[C@@H](Nc1ccc(COCCO)cc1)c1cc(Br)cc(F)c1[O-] ZINC000818361525 896147352 /nfs/dbraw/zinc/14/73/52/896147352.db2.gz KLGARJRIMAMTQF-LLVKDONJSA-N -1 1 384.245 3.976 20 10 GHCDMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C3CCCCC3)cc2)sn1 ZINC001186046790 914282987 /nfs/dbraw/zinc/28/29/87/914282987.db2.gz SAXGOCCIVCWKQT-UHFFFAOYSA-N -1 1 379.551 3.699 20 10 GHCDMM CC1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844207862 900600511 /nfs/dbraw/zinc/60/05/11/900600511.db2.gz CIYRMFBYYXNEGS-PKNBQFBNSA-N -1 1 395.459 3.793 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1[O-] ZINC000157704951 900760559 /nfs/dbraw/zinc/76/05/59/900760559.db2.gz CDORFMMFTBBSLA-ICSRJNTNSA-N -1 1 389.879 3.573 20 10 GHCDMM COC(=O)Cc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001212621054 904740956 /nfs/dbraw/zinc/74/09/56/904740956.db2.gz NGROVBJJYDUAED-UHFFFAOYSA-N -1 1 387.391 3.627 20 10 GHCDMM COCCOc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001175788330 907747265 /nfs/dbraw/zinc/74/72/65/907747265.db2.gz TXKUGRDZVLTRIS-UHFFFAOYSA-N -1 1 389.407 3.936 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2Nc2ccccc2)c1 ZINC000777424025 907888775 /nfs/dbraw/zinc/88/87/75/907888775.db2.gz FQZBAMVQFQATIQ-UHFFFAOYSA-N -1 1 397.456 3.760 20 10 GHCDMM CCOC(=O)[C@@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccccc1 ZINC001176262124 908030259 /nfs/dbraw/zinc/03/02/59/908030259.db2.gz HBFSPRQTKRFRCR-FQEVSTJZSA-N -1 1 375.852 3.816 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nccn2CC(F)(F)F)c1[O-] ZINC000267337893 909457675 /nfs/dbraw/zinc/45/76/75/909457675.db2.gz BMFQEWRSKYSHEF-UHFFFAOYSA-N -1 1 375.778 3.639 20 10 GHCDMM COc1cc(Br)c([O-])c(NC(=O)/C=C/c2ccc(N(C)C)cc2)c1 ZINC001180128279 909974056 /nfs/dbraw/zinc/97/40/56/909974056.db2.gz HIHJMNOLTBOQFU-RMKNXTFCSA-N -1 1 391.265 3.881 20 10 GHCDMM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3cccc(Cl)c3[O-])CCC[C@H]12 ZINC001180421305 910157636 /nfs/dbraw/zinc/15/76/36/910157636.db2.gz ZPIPMFPRYVTHPC-MGPUTAFESA-N -1 1 394.899 3.842 20 10 GHCDMM Cc1cc(C)c(CNC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)c(O)c1 ZINC001191517030 918038508 /nfs/dbraw/zinc/03/85/08/918038508.db2.gz DXAFSXCQEOIYKB-UHFFFAOYSA-N -1 1 375.424 3.876 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])[C@H](c2ccncc2)C1 ZINC000800541053 920258450 /nfs/dbraw/zinc/25/84/50/920258450.db2.gz RBKLLUQBZYTASQ-SFHVURJKSA-N -1 1 387.455 3.720 20 10 GHCDMM C[C@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1cc(F)cc(F)c1[O-] ZINC000757614120 929744957 /nfs/dbraw/zinc/74/49/57/929744957.db2.gz YAOHRMIIAZOFFT-LBPRGKRZSA-N -1 1 375.419 3.545 20 10 GHCDMM Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784710761 931985631 /nfs/dbraw/zinc/98/56/31/931985631.db2.gz HHXDKAQSCJKIRC-UHFFFAOYSA-N -1 1 384.428 3.821 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2F)C[C@@H]1C(F)(F)F ZINC001137841327 935818479 /nfs/dbraw/zinc/81/84/79/935818479.db2.gz AQNDXMNPUKXNRJ-CQSZACIVSA-N -1 1 378.366 3.515 20 10 GHCDMM C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001594577806 986427513 /nfs/dbraw/zinc/42/75/13/986427513.db2.gz QOTWRXIJNIHQTQ-MGPQQGTHSA-N -1 1 376.428 3.581 20 10 GHCDMM COc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1Br ZINC001221640883 1032492520 /nfs/dbraw/zinc/49/25/20/1032492520.db2.gz NFNDWXSGHPIUAX-UHFFFAOYSA-N -1 1 399.672 3.816 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1COCc2ccccc21 ZINC001228115326 1032789560 /nfs/dbraw/zinc/78/95/60/1032789560.db2.gz NVKTZKQRQKTVGG-IBGZPJMESA-N -1 1 378.380 3.685 20 10 GHCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000755984113 1023466246 /nfs/dbraw/zinc/46/62/46/1023466246.db2.gz IQZITAHNNMJFJG-UHFFFAOYSA-N -1 1 377.462 3.802 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCN(c2cccnc2)CC1 ZINC001141374904 1024767965 /nfs/dbraw/zinc/76/79/65/1024767965.db2.gz RWECIQRDKLUYJD-UHFFFAOYSA-N -1 1 396.716 3.915 20 10 GHCDMM CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000840221862 1027356118 /nfs/dbraw/zinc/35/61/18/1027356118.db2.gz NBVNXJGRPRHRFN-KRWDZBQOSA-N -1 1 386.444 3.635 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001203574089 1027443683 /nfs/dbraw/zinc/44/36/83/1027443683.db2.gz OGDFPXZHAGJTBE-YPMHNXCESA-N -1 1 376.177 3.926 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])[C@H](C(F)(F)F)C1 ZINC001142531423 1029033698 /nfs/dbraw/zinc/03/36/98/1029033698.db2.gz XDAPYVZDQSKWEV-AWEZNQCLSA-N -1 1 396.356 3.654 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000842614364 1029414298 /nfs/dbraw/zinc/41/42/98/1029414298.db2.gz HRZXHQQRCQEDMG-FXAWDEMLSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000842614364 1029414309 /nfs/dbraw/zinc/41/43/09/1029414309.db2.gz HRZXHQQRCQEDMG-FXAWDEMLSA-N -1 1 381.472 3.720 20 10 GHCDMM COc1cc(Br)cnc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216951897 1030025338 /nfs/dbraw/zinc/02/53/38/1030025338.db2.gz OPWJRAZSENDENA-UHFFFAOYSA-N -1 1 398.600 3.634 20 10 GHCDMM O=C(Nc1cccc2cc[nH]c21)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152607695 1031301815 /nfs/dbraw/zinc/30/18/15/1031301815.db2.gz VGPORQSLNXNOOT-UHFFFAOYSA-N -1 1 398.374 3.607 20 10 GHCDMM O=C(NCCNc1ncc(Cl)cc1Cl)NCc1cccc(Cl)c1[O-] ZINC001220597546 1032003626 /nfs/dbraw/zinc/00/36/26/1032003626.db2.gz DFYIEBZMZWUBCU-UHFFFAOYSA-N -1 1 389.670 3.659 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccccc1OCCF ZINC001205491004 1033438240 /nfs/dbraw/zinc/43/82/40/1033438240.db2.gz HNGZWNPZEHYKIP-UHFFFAOYSA-N -1 1 383.217 3.825 20 10 GHCDMM C[C@@H]1CC(Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H](C)C1 ZINC001229786602 1033713093 /nfs/dbraw/zinc/71/30/93/1033713093.db2.gz OQWZFRMIBZUTFI-QWRGUYRKSA-N -1 1 388.416 3.649 20 10 GHCDMM C[C@@H]1CCC[C@@H](C)C1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790893 1033716182 /nfs/dbraw/zinc/71/61/82/1033716182.db2.gz KIEFAMUHADHYFZ-GHMZBOCLSA-N -1 1 388.416 3.649 20 10 GHCDMM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCc1cccc(Cl)c1[O-] ZINC001159033062 1034392254 /nfs/dbraw/zinc/39/22/54/1034392254.db2.gz AMPLLRANFUQYLV-UHFFFAOYSA-N -1 1 384.650 3.859 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001161850390 1035314951 /nfs/dbraw/zinc/31/49/51/1035314951.db2.gz ZPTOPDXLHWIHJJ-LBPRGKRZSA-N -1 1 378.831 3.855 20 10 GHCDMM O=C(CNC(=S)NC(c1ccccc1)c1ccccc1)c1ccc([O-])c(O)c1 ZINC001244820936 1036670963 /nfs/dbraw/zinc/67/09/63/1036670963.db2.gz YARWOLJAJYUSQG-UHFFFAOYSA-N -1 1 392.480 3.534 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233494798 1039387834 /nfs/dbraw/zinc/38/78/34/1039387834.db2.gz ISSFMSCTHHZZFJ-CYBMUJFWSA-N -1 1 379.453 3.859 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001234475637 1040059729 /nfs/dbraw/zinc/05/97/29/1040059729.db2.gz HCXUGIQJSXABIB-ZDUSSCGKSA-N -1 1 379.453 3.857 20 10 GHCDMM O=C(c1ccccc1)[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235076210 1040565489 /nfs/dbraw/zinc/56/54/89/1040565489.db2.gz UGWKHRMNUNEAKZ-ZDUSSCGKSA-N -1 1 378.241 3.999 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001237076954 1042024565 /nfs/dbraw/zinc/02/45/65/1042024565.db2.gz BINWBACXYLBNND-LJQANCHMSA-N -1 1 393.318 3.982 20 10 GHCDMM C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237120380 1042048878 /nfs/dbraw/zinc/04/88/78/1042048878.db2.gz DHJRHWKNBWUFDI-LBPRGKRZSA-N -1 1 379.863 3.885 20 10 GHCDMM Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC001237604867 1042278724 /nfs/dbraw/zinc/27/87/24/1042278724.db2.gz NBRRONCSNDVSPC-UHFFFAOYSA-N -1 1 395.200 3.851 20 10 GHCDMM C[C@@H]1CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])[C@H]1CO ZINC001237784954 1042368519 /nfs/dbraw/zinc/36/85/19/1042368519.db2.gz ZPHRXMZICWUCQA-RNCFNFMXSA-N -1 1 382.220 3.766 20 10 GHCDMM Nc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 ZINC001238889052 1042746616 /nfs/dbraw/zinc/74/66/16/1042746616.db2.gz ORUUAQQLIDJCRQ-UHFFFAOYSA-N -1 1 379.696 3.750 20 10 GHCDMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1Cl)c1cccc2nonc21 ZINC001260440941 1045496390 /nfs/dbraw/zinc/49/63/90/1045496390.db2.gz APHSFHOLVJMDSN-UHFFFAOYSA-N -1 1 378.624 3.984 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccn(Cc2ccccc2)c1 ZINC001297439405 1045522722 /nfs/dbraw/zinc/52/27/22/1045522722.db2.gz HGTAMWXVTGQFMB-UHFFFAOYSA-N -1 1 385.261 3.935 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2[nH]c(C(F)F)nc21 ZINC001297440258 1045523409 /nfs/dbraw/zinc/52/34/09/1045523409.db2.gz KZIFUPRTZHSHFE-UHFFFAOYSA-N -1 1 396.191 3.899 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1c(Cl)cc(Cl)cc1Cl ZINC001260559461 1045547062 /nfs/dbraw/zinc/54/70/62/1045547062.db2.gz IJQHBVOTEZSAKQ-UHFFFAOYSA-N -1 1 382.652 3.537 20 10 GHCDMM CC[C@@H](C)S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccn1 ZINC001260741653 1045634716 /nfs/dbraw/zinc/63/47/16/1045634716.db2.gz MWDBBEBQWDUHDQ-LLVKDONJSA-N -1 1 397.294 3.615 20 10 GHCDMM O=S(=O)([N-]c1ccc(F)c(Cl)c1F)c1ccc(Cl)c2nonc21 ZINC001261072799 1045887929 /nfs/dbraw/zinc/88/79/29/1045887929.db2.gz HVARTNPBEIWMMW-UHFFFAOYSA-N -1 1 380.159 3.609 20 10 GHCDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1C ZINC000732526474 1049093588 /nfs/dbraw/zinc/09/35/88/1049093588.db2.gz SUJVHEMGJSFRCH-UHFFFAOYSA-N -1 1 375.450 3.613 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCc3nccc(Br)c3C2)c1[O-] ZINC001307867170 1049650186 /nfs/dbraw/zinc/65/01/86/1049650186.db2.gz LEBKYGIAUJSHSP-UHFFFAOYSA-N -1 1 395.684 3.964 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001308689175 1050060128 /nfs/dbraw/zinc/06/01/28/1050060128.db2.gz MSJPLLCBTRFWNH-CYBMUJFWSA-N -1 1 399.329 3.904 20 10 GHCDMM COc1ccc(NCc2cc(Br)cc(F)c2[O-])cc1NC(C)=O ZINC001200562512 1056336799 /nfs/dbraw/zinc/33/67/99/1056336799.db2.gz OKXFHOAUPYNBMJ-UHFFFAOYSA-N -1 1 383.217 3.873 20 10 GHCDMM COc1ccc(Br)cc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001478165913 1078749906 /nfs/dbraw/zinc/74/99/06/1078749906.db2.gz OSBCBPUUJHHZFE-UHFFFAOYSA-N -1 1 399.672 3.816 20 10 GHCDMM COCCC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001478577660 1078922858 /nfs/dbraw/zinc/92/28/58/1078922858.db2.gz JDFQQUWGORYOHU-KRWDZBQOSA-N -1 1 376.884 3.883 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001470555313 1072623269 /nfs/dbraw/zinc/62/32/69/1072623269.db2.gz CPCITEOXSAIJDH-AWEZNQCLSA-N -1 1 391.462 3.518 20 10 GHCDMM CC(C)c1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000820197912 599310911 /nfs/dbraw/zinc/31/09/11/599310911.db2.gz PATSQNJZQSUGQO-OQLLNIDSSA-N -1 1 397.485 3.989 20 10 GHCDMM CC(C)c1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000820197912 599310913 /nfs/dbraw/zinc/31/09/13/599310913.db2.gz PATSQNJZQSUGQO-OQLLNIDSSA-N -1 1 397.485 3.989 20 10 GHCDMM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)n2)s1 ZINC000738493880 600054639 /nfs/dbraw/zinc/05/46/39/600054639.db2.gz YWYDRCPQHNHVOP-UHFFFAOYSA-N -1 1 394.499 3.987 20 10 GHCDMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000832914182 604968838 /nfs/dbraw/zinc/96/88/38/604968838.db2.gz AGXOLWKETLVGGN-UHFFFAOYSA-N -1 1 383.492 3.608 20 10 GHCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC000833496569 605242611 /nfs/dbraw/zinc/24/26/11/605242611.db2.gz CEXGNRXJIMXYKA-UHFFFAOYSA-N -1 1 395.091 3.602 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000890758019 836683970 /nfs/dbraw/zinc/68/39/70/836683970.db2.gz PWIYBZAISZCSDS-HNNXBMFYSA-N -1 1 387.867 3.606 20 10 GHCDMM CCOC(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367603 843065815 /nfs/dbraw/zinc/06/58/15/843065815.db2.gz HRDYSCKRVZORMX-NSHDSACASA-N -1 1 390.705 3.973 20 10 GHCDMM CC(C)c1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765902726 855948984 /nfs/dbraw/zinc/94/89/84/855948984.db2.gz CGYOCSPXOVUFKG-UHFFFAOYSA-N -1 1 391.265 3.533 20 10 GHCDMM Cc1ccc(N2CCCC2)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765770372 857675739 /nfs/dbraw/zinc/67/57/39/857675739.db2.gz PGHVGOFPEJDKGN-UHFFFAOYSA-N -1 1 389.293 3.993 20 10 GHCDMM CCOC(=O)c1ccc(C(F)(F)F)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170322164 881357121 /nfs/dbraw/zinc/35/71/21/881357121.db2.gz FXJHNPRKUNMIBY-UHFFFAOYSA-N -1 1 383.322 3.588 20 10 GHCDMM C[C@H](COc1cccc(F)c1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764763442 859598947 /nfs/dbraw/zinc/59/89/47/859598947.db2.gz LUNKQDDLUZRSSE-LLVKDONJSA-N -1 1 397.244 3.561 20 10 GHCDMM Cc1cccc(OC[C@H](C)NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764763384 859599369 /nfs/dbraw/zinc/59/93/69/859599369.db2.gz LDFMXVXQUCWZJH-ZDUSSCGKSA-N -1 1 393.281 3.730 20 10 GHCDMM CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764777129 859607684 /nfs/dbraw/zinc/60/76/84/859607684.db2.gz BXAZNUGJASBQKQ-HNNXBMFYSA-N -1 1 377.282 3.975 20 10 GHCDMM COc1cccc(F)c1[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792618 859611220 /nfs/dbraw/zinc/61/12/20/859611220.db2.gz WJUSBHUFPCAWDP-SNVBAGLBSA-N -1 1 397.244 3.863 20 10 GHCDMM COc1ccc(C(F)(F)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765728886 860491475 /nfs/dbraw/zinc/49/14/75/860491475.db2.gz WQVQQSBYEUQCKD-UHFFFAOYSA-N -1 1 386.192 3.572 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000765733253 860513079 /nfs/dbraw/zinc/51/30/79/860513079.db2.gz WEGCXSTUWFIQTO-UHFFFAOYSA-N -1 1 396.191 3.899 20 10 GHCDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000793430047 882180059 /nfs/dbraw/zinc/18/00/59/882180059.db2.gz RHHVTCCGWBKJMA-UHFFFAOYSA-N -1 1 383.853 3.586 20 10 GHCDMM Cn1nc(NC(=O)c2ccc(O)c([O-])c2Cl)c2ccc(Br)cc21 ZINC001193210309 870946691 /nfs/dbraw/zinc/94/66/91/870946691.db2.gz XMKOPZBAUZXJFL-UHFFFAOYSA-N -1 1 396.628 3.653 20 10 GHCDMM O=C(c1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194803808 871959403 /nfs/dbraw/zinc/95/94/03/871959403.db2.gz GPUABUCENYCTIF-UHFFFAOYSA-N -1 1 391.876 3.824 20 10 GHCDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1ccc(N2CCCCC2)cc1 ZINC001201768621 875849816 /nfs/dbraw/zinc/84/98/16/875849816.db2.gz GTROOXFTRWYSHC-UHFFFAOYSA-N -1 1 385.942 3.574 20 10 GHCDMM CCC[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nn[n-]n1 ZINC000772708018 877671793 /nfs/dbraw/zinc/67/17/93/877671793.db2.gz LPFVXOLOEDPWQA-SFHVURJKSA-N -1 1 392.467 3.952 20 10 GHCDMM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC000851708878 877873610 /nfs/dbraw/zinc/87/36/10/877873610.db2.gz NTDSDANMBLHNDR-MSOLQXFVSA-N -1 1 391.826 3.688 20 10 GHCDMM CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC000851708878 877873616 /nfs/dbraw/zinc/87/36/16/877873616.db2.gz NTDSDANMBLHNDR-MSOLQXFVSA-N -1 1 391.826 3.688 20 10 GHCDMM O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789956267 879364072 /nfs/dbraw/zinc/36/40/72/879364072.db2.gz DBGCNKJHZHSQHK-AWEZNQCLSA-N -1 1 396.821 3.596 20 10 GHCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863162031 886899084 /nfs/dbraw/zinc/89/90/84/886899084.db2.gz QDPLANQMTVRVPA-UHFFFAOYSA-N -1 1 396.516 3.858 20 10 GHCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000916566154 889141569 /nfs/dbraw/zinc/14/15/69/889141569.db2.gz NXWCBXRVKOROPY-SFHVURJKSA-N -1 1 388.895 3.933 20 10 GHCDMM COc1c([O-])c(CN2CCn3cccc3[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774841870 913733049 /nfs/dbraw/zinc/73/30/49/913733049.db2.gz QLEUFRJHPDDPKP-LJQANCHMSA-N -1 1 379.416 3.716 20 10 GHCDMM O=C(NCc1ccc([O-])c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876393318 893123410 /nfs/dbraw/zinc/12/34/10/893123410.db2.gz KZAWHVXNHDFDDU-MRXNPFEDSA-N -1 1 390.867 3.642 20 10 GHCDMM Cc1cc(Br)c([O-])c([C@H]2NC(C)(C)C(=O)N2c2ccccc2)c1 ZINC000877857694 893860454 /nfs/dbraw/zinc/86/04/54/893860454.db2.gz XRASQHVMNFDNRG-INIZCTEOSA-N -1 1 375.266 3.877 20 10 GHCDMM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1c([O-])c(O)ccc1F ZINC000826042067 894347028 /nfs/dbraw/zinc/34/70/28/894347028.db2.gz SNNBLTJKCFQLCQ-UHFFFAOYSA-N -1 1 394.240 3.803 20 10 GHCDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(C)C)c3)cc21 ZINC000882798962 896999912 /nfs/dbraw/zinc/99/99/12/896999912.db2.gz KMXRGRUMZLZUHP-UHFFFAOYSA-N -1 1 388.489 3.616 20 10 GHCDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1Cl ZINC000821192656 897756264 /nfs/dbraw/zinc/75/62/64/897756264.db2.gz VYSOLNGJNAFRHC-UHFFFAOYSA-N -1 1 381.168 3.547 20 10 GHCDMM CN(C(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1)C1CCOCC1 ZINC001202724275 899955162 /nfs/dbraw/zinc/95/51/62/899955162.db2.gz SFWIXEGLNSVWMC-UHFFFAOYSA-N -1 1 376.403 3.534 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000846016199 902598216 /nfs/dbraw/zinc/59/82/16/902598216.db2.gz QVOLSNWFQXCNIM-NWDGAFQWSA-N -1 1 398.297 3.529 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186774420 914798392 /nfs/dbraw/zinc/79/83/92/914798392.db2.gz YBEHAHNOZCIZEB-UHFFFAOYSA-N -1 1 385.722 3.884 20 10 GHCDMM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(F)cc2[O-])c2nccn2C)c1 ZINC000184960301 907685850 /nfs/dbraw/zinc/68/58/50/907685850.db2.gz JJWDXNLZGPIECM-RNODOKPDSA-N -1 1 385.439 3.722 20 10 GHCDMM O=C(Cc1csc2ccc(Cl)cc12)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181425231 910750409 /nfs/dbraw/zinc/75/04/09/910750409.db2.gz BTADUFSCSASUBY-UHFFFAOYSA-N -1 1 375.833 3.508 20 10 GHCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190270783 917222556 /nfs/dbraw/zinc/22/25/56/917222556.db2.gz QAJXYOZNLPIYHC-UHFFFAOYSA-N -1 1 376.460 3.578 20 10 GHCDMM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(Cl)c1[O-] ZINC001137438468 925789393 /nfs/dbraw/zinc/78/93/93/925789393.db2.gz LKJIDSWAVGRPCF-CQSZACIVSA-N -1 1 395.286 3.799 20 10 GHCDMM CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000758162265 929953928 /nfs/dbraw/zinc/95/39/28/929953928.db2.gz JDWROSKKDOEXEI-UHFFFAOYSA-N -1 1 390.244 3.677 20 10 GHCDMM COc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)s2)cc1 ZINC000782550627 931266797 /nfs/dbraw/zinc/26/67/97/931266797.db2.gz WRCSOYAMJANBSG-UHFFFAOYSA-N -1 1 399.424 3.578 20 10 GHCDMM O=C(CN(Cc1ccccc1)c1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784384837 931876737 /nfs/dbraw/zinc/87/67/37/931876737.db2.gz DBIDUYYMQLFUQU-UHFFFAOYSA-N -1 1 391.423 3.531 20 10 GHCDMM O=C(COC(=O)C1(c2ccc(F)cc2F)CCCC1)c1ccc([O-])c(O)c1 ZINC000784420035 931886765 /nfs/dbraw/zinc/88/67/65/931886765.db2.gz UMHUFRSKQCHCIX-UHFFFAOYSA-N -1 1 376.355 3.614 20 10 GHCDMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000798940567 932825836 /nfs/dbraw/zinc/82/58/36/932825836.db2.gz TUOUUQMRIAVTFJ-KPZWWZAWSA-N -1 1 376.403 3.761 20 10 GHCDMM COc1c(C)cnc(CN(C)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])c1C ZINC001599333785 997795015 /nfs/dbraw/zinc/79/50/15/997795015.db2.gz JJLBALOBFAZAHW-UHFFFAOYSA-N -1 1 385.439 3.668 20 10 GHCDMM Cc1nc(-c2cccc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)c2)cs1 ZINC001155218249 1032461650 /nfs/dbraw/zinc/46/16/50/1032461650.db2.gz NAUNJFDTPAEJQD-UHFFFAOYSA-N -1 1 394.408 3.888 20 10 GHCDMM C[C@@H](NCc1nncn1-c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756404293 1023630913 /nfs/dbraw/zinc/63/09/13/1023630913.db2.gz UNOROPNBWIDABL-LLVKDONJSA-N -1 1 391.244 3.725 20 10 GHCDMM COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@H]1C ZINC001141373051 1024761645 /nfs/dbraw/zinc/76/16/45/1024761645.db2.gz KVBREJAJYJFRMY-CABZTGNLSA-N -1 1 376.678 3.582 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1cncc(Br)c1 ZINC001139125142 1025937695 /nfs/dbraw/zinc/93/76/95/1025937695.db2.gz NMHUDMDNASSEFK-UHFFFAOYSA-N -1 1 389.249 3.597 20 10 GHCDMM Cc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Br)c2[O-])cc1Cl ZINC001139975290 1026772559 /nfs/dbraw/zinc/77/25/59/1026772559.db2.gz ZHNAUAFZDGAFIL-UHFFFAOYSA-N -1 1 399.628 3.955 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000840116675 1027224157 /nfs/dbraw/zinc/22/41/57/1027224157.db2.gz QCUIVIXDQXLQGD-DUXKGJEZSA-N -1 1 395.499 3.844 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000840116684 1027225397 /nfs/dbraw/zinc/22/53/97/1027225397.db2.gz QCUIVIXDQXLQGD-WMQCIHAUSA-N -1 1 395.499 3.844 20 10 GHCDMM CC(=O)OCCCc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001203553469 1027430364 /nfs/dbraw/zinc/43/03/64/1027430364.db2.gz XTSPIAOWJQLUSA-UHFFFAOYSA-N -1 1 376.840 3.863 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001203575183 1027443806 /nfs/dbraw/zinc/44/38/06/1027443806.db2.gz FDNQYZRKRXOSPG-CGTJXYLNSA-N -1 1 395.286 3.510 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000840558068 1027616349 /nfs/dbraw/zinc/61/63/49/1027616349.db2.gz XEVOFEHDMFOHDB-AWEZNQCLSA-N -1 1 384.524 3.524 20 10 GHCDMM O=C1c2ccccc2N[C@@H](c2cc(Cl)c(F)cc2[O-])N1C[C@H]1CCCO1 ZINC000840785186 1027822783 /nfs/dbraw/zinc/82/27/83/1027822783.db2.gz NKMBASUDFCETTR-ADLMAVQZSA-N -1 1 376.815 3.930 20 10 GHCDMM O=C(COc1ccccc1NCc1cc(F)cc(F)c1[O-])Nc1cccnc1 ZINC001461417387 1069540617 /nfs/dbraw/zinc/54/06/17/1069540617.db2.gz OBKPJGANFWOWKK-UHFFFAOYSA-N -1 1 385.370 3.695 20 10 GHCDMM CCOc1ccc(CCNC(=O)NCc2cccc(Cl)c2[O-])cc1OCC ZINC001222120990 1029971143 /nfs/dbraw/zinc/97/11/43/1029971143.db2.gz IKBXJRCVTVYTPE-UHFFFAOYSA-N -1 1 392.883 3.885 20 10 GHCDMM CC(=O)N1CCCc2cc(-c3noc(-c4ccc(O)c([O-])c4Cl)n3)ccc21 ZINC001216952115 1030024825 /nfs/dbraw/zinc/02/48/25/1030024825.db2.gz UISHQVRQPFLDLZ-UHFFFAOYSA-N -1 1 385.807 3.767 20 10 GHCDMM Cc1cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cc(C)c1F ZINC001217056193 1030128798 /nfs/dbraw/zinc/12/87/98/1030128798.db2.gz GAGKDXVWVNEIOR-UHFFFAOYSA-N -1 1 383.423 3.697 20 10 GHCDMM Cc1ccc(F)cc1NC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152601944 1031299586 /nfs/dbraw/zinc/29/95/86/1031299586.db2.gz NUFSRLGTXJBTMO-UHFFFAOYSA-N -1 1 391.354 3.573 20 10 GHCDMM CN(C(=O)OC(C)(C)C)C1CCC([N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455054 1034598194 /nfs/dbraw/zinc/59/81/94/1034598194.db2.gz VUNXYHFCFDBWQX-UHFFFAOYSA-N -1 1 392.496 3.700 20 10 GHCDMM CN(C(=O)OC(C)(C)C)C1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455054 1034598199 /nfs/dbraw/zinc/59/81/99/1034598199.db2.gz VUNXYHFCFDBWQX-UHFFFAOYSA-N -1 1 392.496 3.700 20 10 GHCDMM O=C(c1ccccc1)[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033148 1038789204 /nfs/dbraw/zinc/78/92/04/1038789204.db2.gz IQZYLUPEDKFUQR-ZDUSSCGKSA-N -1 1 378.241 3.999 20 10 GHCDMM CC(C)S(=O)(=O)[N-]c1cc(Br)ccc1C(=O)c1ccccc1 ZINC001252530308 1039022567 /nfs/dbraw/zinc/02/25/67/1039022567.db2.gz STPBLRYVABGDLI-UHFFFAOYSA-N -1 1 382.279 3.830 20 10 GHCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001233333248 1039130437 /nfs/dbraw/zinc/13/04/37/1039130437.db2.gz OWOLDEVSUOIOPQ-YCRPNKLZSA-N -1 1 390.430 3.516 20 10 GHCDMM CCCS(=O)(=O)[N-]c1cc(Br)ccc1C(=O)c1ccccc1 ZINC001253710020 1039776393 /nfs/dbraw/zinc/77/63/93/1039776393.db2.gz DFCVQYNANTXMSL-UHFFFAOYSA-N -1 1 382.279 3.832 20 10 GHCDMM CC[C@H](C)N1C[C@@]2(F)CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@]2(F)C1=O ZINC001277831065 1039828300 /nfs/dbraw/zinc/82/83/00/1039828300.db2.gz UHRMFMQJELCWGJ-PZDALLCQSA-N -1 1 393.261 3.572 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C ZINC001234474019 1040057103 /nfs/dbraw/zinc/05/71/03/1040057103.db2.gz NBDVBJVOEGREAY-FXSPWANNSA-N -1 1 395.427 3.558 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001234475636 1040058924 /nfs/dbraw/zinc/05/89/24/1040058924.db2.gz HCXUGIQJSXABIB-CYBMUJFWSA-N -1 1 379.453 3.857 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235063997 1040553313 /nfs/dbraw/zinc/55/33/13/1040553313.db2.gz CPSVWPIPQVYXEV-LLVKDONJSA-N -1 1 388.277 3.848 20 10 GHCDMM Oc1c(Br)cc(F)cc1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001235307867 1040782413 /nfs/dbraw/zinc/78/24/13/1040782413.db2.gz MIAKXNVVQZTQKR-HOTGVXAUSA-N -1 1 389.284 3.692 20 10 GHCDMM C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])Cc2nnc(C(F)(F)F)n21 ZINC001236805476 1041907417 /nfs/dbraw/zinc/90/74/17/1041907417.db2.gz ZAXXVGRVAUOJTO-ZETCQYMHSA-N -1 1 381.185 3.886 20 10 GHCDMM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cc(Br)cc1F ZINC001278043067 1041996973 /nfs/dbraw/zinc/99/69/73/1041996973.db2.gz CRXJZNDOGNIAKR-HFBAOOFYSA-N -1 1 399.304 3.658 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3c([O-])ccc(Cl)c3Cl)C[C@H]21 ZINC001237077348 1042024178 /nfs/dbraw/zinc/02/41/78/1042024178.db2.gz GCIWTFXRSAPONP-CNDDSTCGSA-N -1 1 387.307 3.902 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001237080601 1042026961 /nfs/dbraw/zinc/02/69/61/1042026961.db2.gz UQUHOEOLLOAWET-AWEZNQCLSA-N -1 1 396.318 3.954 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237125352 1042053127 /nfs/dbraw/zinc/05/31/27/1042053127.db2.gz YBDMNUVKSRGNIC-ILZDJORESA-N -1 1 392.858 3.528 20 10 GHCDMM O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237939970 1042430279 /nfs/dbraw/zinc/43/02/79/1042430279.db2.gz IOTDVKBYYBTHNT-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM O=c1cc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)c2ccc([O-])cc2o1 ZINC001256929770 1043756175 /nfs/dbraw/zinc/75/61/75/1043756175.db2.gz AGAZEZGLHQOPPF-UHFFFAOYSA-N -1 1 385.379 3.930 20 10 GHCDMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1F)c1ccc(Cl)c2nonc21 ZINC001261071117 1045886743 /nfs/dbraw/zinc/88/67/43/1045886743.db2.gz MXSCCGTWTFLPII-UHFFFAOYSA-N -1 1 395.721 3.835 20 10 GHCDMM Cc1cc(OCC(=O)NCc2cccc(Cl)c2[O-])ccc1Br ZINC001305083805 1047887429 /nfs/dbraw/zinc/88/74/29/1047887429.db2.gz DIUVKSPCZPWENU-UHFFFAOYSA-N -1 1 384.657 3.812 20 10 GHCDMM CC(C)(C)NC(=O)c1n[nH]c2c1CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279972592 1048020816 /nfs/dbraw/zinc/02/08/16/1048020816.db2.gz QMMYOSHAAGBZJB-UHFFFAOYSA-N -1 1 397.306 3.509 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1ncc(C2CCCCC2)s1 ZINC001349355865 1063675538 /nfs/dbraw/zinc/67/55/38/1063675538.db2.gz CRXLIFWPWLZGRT-UHFFFAOYSA-N -1 1 393.896 3.805 20 10 GHCDMM O=S(=O)(CCC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC001463651626 1064526750 /nfs/dbraw/zinc/52/67/50/1064526750.db2.gz PKVNVRHAHZGJOU-UHFFFAOYSA-N -1 1 376.316 3.545 20 10 GHCDMM COc1cc(C(F)(F)F)cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001464785616 1065210070 /nfs/dbraw/zinc/21/00/70/1065210070.db2.gz DBBUEKHNIKDUKV-UHFFFAOYSA-N -1 1 395.786 3.552 20 10 GHCDMM CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001464788321 1065212080 /nfs/dbraw/zinc/21/20/80/1065212080.db2.gz KXEMTMSCHFQZGF-UHFFFAOYSA-N -1 1 388.272 3.770 20 10 GHCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000765753859 1068120675 /nfs/dbraw/zinc/12/06/75/1068120675.db2.gz RCNDZZVATLIPQW-VIFPVBQESA-N -1 1 397.200 3.622 20 10 GHCDMM CCOCCOC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001474332424 1074346672 /nfs/dbraw/zinc/34/66/72/1074346672.db2.gz DVMHZILLGNEITE-UHFFFAOYSA-N -1 1 392.721 3.826 20 10 GHCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1[O-] ZINC001603102901 1126227263 /nfs/dbraw/zinc/22/72/63/1126227263.db2.gz CGBUINXHWRQCHT-IBGZPJMESA-N -1 1 379.815 3.563 20 10 GHCDMM Cc1cc([O-])c(C[NH2+][C@@H](Cc2ccccc2Br)C(=O)[O-])c(Cl)c1 ZINC001607699926 1126234229 /nfs/dbraw/zinc/23/42/29/1126234229.db2.gz PHSRQSLZUVGUEH-HNNXBMFYSA-N -1 1 398.684 3.902 20 10 GHCDMM CC[N@@H+](CCC(=O)[O-])Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000737096876 600424499 /nfs/dbraw/zinc/42/44/99/600424499.db2.gz SGYITIGNLMXZFH-UHFFFAOYSA-N -1 1 381.428 3.771 20 10 GHCDMM COc1ccc(N(Cc2cccs2)Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826209207 607520075 /nfs/dbraw/zinc/52/00/75/607520075.db2.gz QWFGBPQEBKFQRN-UHFFFAOYSA-N -1 1 378.461 3.539 20 10 GHCDMM COc1ccc(N(Cc2cccs2)Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826209207 607520077 /nfs/dbraw/zinc/52/00/77/607520077.db2.gz QWFGBPQEBKFQRN-UHFFFAOYSA-N -1 1 378.461 3.539 20 10 GHCDMM COc1ccc2[nH]cc(C3CCN(C(=O)c4c(F)ccc(O)c4[O-])CC3)c2c1 ZINC000276588630 842312502 /nfs/dbraw/zinc/31/25/02/842312502.db2.gz MRQGIFYQDZYGCP-UHFFFAOYSA-N -1 1 384.407 3.747 20 10 GHCDMM C[C@H](NCc1nccn1CCCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595848 847380561 /nfs/dbraw/zinc/38/05/61/847380561.db2.gz QMLCASRFWACNPB-INIZCTEOSA-N -1 1 380.448 3.981 20 10 GHCDMM Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765770867 857712335 /nfs/dbraw/zinc/71/23/35/857712335.db2.gz RKOCAYMPQLAEJP-UHFFFAOYSA-N -1 1 380.286 3.653 20 10 GHCDMM CC(C)Oc1cc(Br)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320993 881354916 /nfs/dbraw/zinc/35/49/16/881354916.db2.gz UIVAXQZFBZTWOC-UHFFFAOYSA-N -1 1 380.238 3.942 20 10 GHCDMM COC(=O)c1ccc(C)c(-c2cccc(NCC(=O)c3ccc([O-])c(O)c3)n2)c1 ZINC001170320847 881356116 /nfs/dbraw/zinc/35/61/16/881356116.db2.gz PKLCJMSOFKUWNC-UHFFFAOYSA-N -1 1 392.411 3.550 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCOc2ccc(F)cc21 ZINC000764806401 859617218 /nfs/dbraw/zinc/61/72/18/859617218.db2.gz PVUSUJCPBCSCKD-AWEZNQCLSA-N -1 1 395.228 3.617 20 10 GHCDMM COCC[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(C)o1 ZINC000764805993 859617443 /nfs/dbraw/zinc/61/74/43/859617443.db2.gz MMARHKXEJNWAEA-AWEZNQCLSA-N -1 1 397.269 3.633 20 10 GHCDMM CC(=O)Nc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765227334 859855536 /nfs/dbraw/zinc/85/55/36/859855536.db2.gz POUSILSVNMDXCI-UHFFFAOYSA-N -1 1 392.253 3.743 20 10 GHCDMM O=C(Cc1cccc(Br)c1)NCc1cccc(Br)c1[O-] ZINC000765730349 860501178 /nfs/dbraw/zinc/50/11/78/860501178.db2.gz AFQXZCBDNVXPRE-UHFFFAOYSA-N -1 1 399.082 3.776 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(OCC2CC2)cc1 ZINC000765736049 860538159 /nfs/dbraw/zinc/53/81/59/860538159.db2.gz KFJLXFANVAXEJT-UHFFFAOYSA-N -1 1 376.250 3.874 20 10 GHCDMM COc1cccc(Cl)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765747035 860559810 /nfs/dbraw/zinc/55/98/10/860559810.db2.gz KEPXZVOICIODRI-UHFFFAOYSA-N -1 1 384.657 3.676 20 10 GHCDMM O=C(COc1ccc(F)cc1Cl)NCc1cccc(Br)c1[O-] ZINC000765752877 860566899 /nfs/dbraw/zinc/56/68/99/860566899.db2.gz ZVGQJUVTABHBRP-UHFFFAOYSA-N -1 1 388.620 3.642 20 10 GHCDMM Cc1cccc(OCCCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765750580 860567813 /nfs/dbraw/zinc/56/78/13/860567813.db2.gz IVTRKPJUZGDLLW-UHFFFAOYSA-N -1 1 378.266 3.939 20 10 GHCDMM O=C(CCOc1cccc(Cl)c1)NCc1cccc(Br)c1[O-] ZINC000765751738 860569919 /nfs/dbraw/zinc/56/99/19/860569919.db2.gz JSLZZUZCTDJBGF-UHFFFAOYSA-N -1 1 384.657 3.893 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000792702696 881628763 /nfs/dbraw/zinc/62/87/63/881628763.db2.gz XKRMFMHXZBRDFM-UHFFFAOYSA-N -1 1 388.308 3.986 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc2ccccc2c1 ZINC000766198887 863845117 /nfs/dbraw/zinc/84/51/17/863845117.db2.gz AIJISRDBBLMJOJ-UHFFFAOYSA-N -1 1 392.274 3.786 20 10 GHCDMM Cc1ccc(Cl)c(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766199822 863848525 /nfs/dbraw/zinc/84/85/25/863848525.db2.gz JLBXRYSZBVKLPO-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CNc1cnn(CCF)c1 ZINC000862482955 886400801 /nfs/dbraw/zinc/40/08/01/886400801.db2.gz DIESAOONQMIVTJ-UHFFFAOYSA-N -1 1 393.054 3.695 20 10 GHCDMM CCOc1cc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)ccc1[N+](=O)[O-] ZINC000793298350 882075817 /nfs/dbraw/zinc/07/58/17/882075817.db2.gz FCNPDKLEGWSYHE-UHFFFAOYSA-N -1 1 391.855 3.675 20 10 GHCDMM C[C@@H]1CN(c2ccc(CNC(=O)c3c([O-])cccc3Cl)cc2F)C[C@H](C)O1 ZINC000920453642 882115544 /nfs/dbraw/zinc/11/55/44/882115544.db2.gz IZEDTYBUNOKIDN-BETUJISGSA-N -1 1 392.858 3.728 20 10 GHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001193232470 870963044 /nfs/dbraw/zinc/96/30/44/870963044.db2.gz KZIVWSJMDXSQRX-QWRGUYRKSA-N -1 1 379.243 3.508 20 10 GHCDMM COc1cc(NCc2cccc(Br)c2[O-])ccc1N1CCCC1=O ZINC000770411614 874655438 /nfs/dbraw/zinc/65/54/38/874655438.db2.gz FVADMUIHRHHLNW-UHFFFAOYSA-N -1 1 391.265 3.902 20 10 GHCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180340974 878794181 /nfs/dbraw/zinc/79/41/81/878794181.db2.gz UOSAGYFCXDVYQM-UHFFFAOYSA-N -1 1 394.393 3.520 20 10 GHCDMM O=C(NCCCc1ccc(Br)cc1F)c1c([O-])c(O)ccc1F ZINC000789977733 879374085 /nfs/dbraw/zinc/37/40/85/879374085.db2.gz XYANZCOFWIKXGM-UHFFFAOYSA-N -1 1 386.192 3.501 20 10 GHCDMM COc1c([O-])c(CN(C)Cc2cscc2Br)ccc1[N+](=O)[O-] ZINC001183572617 912653203 /nfs/dbraw/zinc/65/32/03/912653203.db2.gz MYZLHKFQVMUPAF-UHFFFAOYSA-N -1 1 387.255 3.765 20 10 GHCDMM O=C([O-])[C@H](CC[NH2+]Cc1c([O-])cccc1Br)Cc1ccccc1 ZINC000864505690 887810126 /nfs/dbraw/zinc/81/01/26/887810126.db2.gz QTRWTBJLVQKFOP-CQSZACIVSA-N -1 1 378.266 3.578 20 10 GHCDMM C[C@@H](Nc1ccc(COCCO)cc1)c1cc(Br)c(F)cc1[O-] ZINC000818362346 896147456 /nfs/dbraw/zinc/14/74/56/896147456.db2.gz VCEBHRBQAPKNKS-LLVKDONJSA-N -1 1 384.245 3.976 20 10 GHCDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001185913817 914196071 /nfs/dbraw/zinc/19/60/71/914196071.db2.gz DQJIFCICJJOOKH-UHFFFAOYSA-N -1 1 393.420 3.705 20 10 GHCDMM CO[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C[C@@H]1C ZINC000824815707 899822803 /nfs/dbraw/zinc/82/28/03/899822803.db2.gz XDAJBUWHJYRDNZ-TVQRCGJNSA-N -1 1 393.119 3.774 20 10 GHCDMM [O-]c1cc(F)c(Br)cc1CN1CCC(Oc2cccnc2)CC1 ZINC001144299584 901649524 /nfs/dbraw/zinc/64/95/24/901649524.db2.gz BBGRHEFXVBWYIV-UHFFFAOYSA-N -1 1 381.245 3.732 20 10 GHCDMM CC(=O)c1cc(C(=O)n2c(N)c(N=Nc3ccccc3)ccc2=N)ccc1[O-] ZINC001148656538 904133736 /nfs/dbraw/zinc/13/37/36/904133736.db2.gz XFFRBRSOPQFFBK-JNVQNEIGSA-N -1 1 375.388 3.562 20 10 GHCDMM O=C(CCOc1ccccc1Br)NCc1cccc(Cl)c1[O-] ZINC001180410432 910151711 /nfs/dbraw/zinc/15/17/11/910151711.db2.gz PYBVUWQCQJZZBI-UHFFFAOYSA-N -1 1 384.657 3.893 20 10 GHCDMM O=C(Cc1c(F)ccc(Br)c1F)NCc1cccc(Cl)c1[O-] ZINC001180410854 910151917 /nfs/dbraw/zinc/15/19/17/910151917.db2.gz SLCLPMZAPUHZJU-UHFFFAOYSA-N -1 1 390.611 3.945 20 10 GHCDMM Cc1onc(-c2cccc(Cl)c2)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000796386236 915371655 /nfs/dbraw/zinc/37/16/55/915371655.db2.gz JYOBOGOGUTYIDM-UHFFFAOYSA-N -1 1 387.775 3.754 20 10 GHCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000098094068 916193150 /nfs/dbraw/zinc/19/31/50/916193150.db2.gz YECVAYZRTCYPRZ-UHFFFAOYSA-N -1 1 394.446 3.576 20 10 GHCDMM Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1S(=O)(=O)NC1CC1 ZINC000796432036 917110800 /nfs/dbraw/zinc/11/08/00/917110800.db2.gz ZXNXPAOYXPGASD-UHFFFAOYSA-N -1 1 384.860 3.546 20 10 GHCDMM CC(C)(C)c1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000758277481 929999896 /nfs/dbraw/zinc/99/98/96/929999896.db2.gz BQZYIUSLZJDPGY-UHFFFAOYSA-N -1 1 379.463 3.602 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1ccc(Br)o1 ZINC000759017166 930246130 /nfs/dbraw/zinc/24/61/30/930246130.db2.gz FXXRBHOZRFNDNO-UHFFFAOYSA-N -1 1 399.310 3.511 20 10 GHCDMM CC(=O)N1CCN(c2cccc(N[C@H](C)c3cc(F)cc(F)c3[O-])c2)CC1 ZINC000783293965 931512418 /nfs/dbraw/zinc/51/24/18/931512418.db2.gz LCCYLWNTHHUPTR-CYBMUJFWSA-N -1 1 375.419 3.512 20 10 GHCDMM COC(=O)C[C@@H]1CCC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579950 1032470071 /nfs/dbraw/zinc/47/00/71/1032470071.db2.gz CCRUGBOCIILFRE-KGLIPLIRSA-N -1 1 394.423 3.668 20 10 GHCDMM CC(C)Oc1ccc(COc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)cn1 ZINC001228113952 1032789517 /nfs/dbraw/zinc/78/95/17/1032789517.db2.gz GEHYWXHGTUIWSW-UHFFFAOYSA-N -1 1 395.411 3.796 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1CCCc2cccnc21 ZINC001228116222 1032789825 /nfs/dbraw/zinc/78/98/25/1032789825.db2.gz WBQWIKXBNPJFFU-SFHVURJKSA-N -1 1 377.396 3.886 20 10 GHCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000832795512 1025959308 /nfs/dbraw/zinc/95/93/08/1025959308.db2.gz GXOHGGAUSLWNED-MEBBXXQBSA-N -1 1 399.340 3.858 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn(Cc4ccncc4)c3)c([O-])cc21 ZINC001203138517 1026756017 /nfs/dbraw/zinc/75/60/17/1026756017.db2.gz IAMOYRQQXVICKB-UHFFFAOYSA-N -1 1 396.406 3.551 20 10 GHCDMM O=S(=O)([N-]Cc1c(O)cccc1F)c1c(Cl)cc(Cl)cc1Cl ZINC001213797483 1028381175 /nfs/dbraw/zinc/38/11/75/1028381175.db2.gz DHVMPYGNNKFSIV-UHFFFAOYSA-N -1 1 384.643 3.970 20 10 GHCDMM CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001214739845 1028892829 /nfs/dbraw/zinc/89/28/29/1028892829.db2.gz KAIKDWXNLWCCRN-UHFFFAOYSA-N -1 1 375.856 3.896 20 10 GHCDMM Nc1c(F)c(F)c(F)cc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001216009602 1029488690 /nfs/dbraw/zinc/48/86/90/1029488690.db2.gz JKLZDEHWBDNDGT-UHFFFAOYSA-N -1 1 384.313 3.911 20 10 GHCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1c([O-])cnc2c(F)cccc21 ZINC001142843823 1029569019 /nfs/dbraw/zinc/56/90/19/1029569019.db2.gz DTRKRDFYDFHORS-UHFFFAOYSA-N -1 1 379.435 4.000 20 10 GHCDMM COC(=O)[C@H]1CC[C@@H](Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229828642 1033739793 /nfs/dbraw/zinc/73/97/93/1033739793.db2.gz BIKPQIXBWOHCRP-OKILXGFUSA-N -1 1 394.423 3.587 20 10 GHCDMM O=C(Cc1noc2ccc(Br)cc12)NCc1cccc(Cl)c1[O-] ZINC001159041478 1034397138 /nfs/dbraw/zinc/39/71/38/1034397138.db2.gz OTKWTSFPIVMNCB-UHFFFAOYSA-N -1 1 395.640 3.808 20 10 GHCDMM O=C(CNC(F)(F)c1cccc2ccnc(Cl)c21)c1ccc([O-])c(O)c1 ZINC001159278856 1034519777 /nfs/dbraw/zinc/51/97/77/1034519777.db2.gz DRPHVTVTTRZRMB-UHFFFAOYSA-N -1 1 378.762 3.821 20 10 GHCDMM C[C@H]1Cc2ccc(Br)cc2CN1Cc1ccc(C(=O)[O-])cc1O ZINC001231453670 1034597124 /nfs/dbraw/zinc/59/71/24/1034597124.db2.gz OBJJUSASPKOCBE-NSHDSACASA-N -1 1 376.250 3.800 20 10 GHCDMM CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231454165 1034598420 /nfs/dbraw/zinc/59/84/20/1034598420.db2.gz OOQVDVQTHNHZGP-WKILWMFISA-N -1 1 377.481 3.672 20 10 GHCDMM CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231454165 1034598431 /nfs/dbraw/zinc/59/84/31/1034598431.db2.gz OOQVDVQTHNHZGP-WKILWMFISA-N -1 1 377.481 3.672 20 10 GHCDMM C[C@H](c1ccccc1)[N@@H+](Cc1cc(C(=O)[O-])ccc1O)[C@@H]1CN2CCC1CC2 ZINC001231566406 1034714841 /nfs/dbraw/zinc/71/48/41/1034714841.db2.gz ISBLIDAEOPYGJF-IIBYNOLFSA-N -1 1 380.488 3.748 20 10 GHCDMM C[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@H]1COc2ccccc2O1 ZINC001462037016 1069959957 /nfs/dbraw/zinc/95/99/57/1069959957.db2.gz GCUSDRCQNDWETF-ZDUSSCGKSA-N -1 1 382.229 3.566 20 10 GHCDMM Cc1cccnc1N1CCCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233030797 1038781641 /nfs/dbraw/zinc/78/16/41/1038781641.db2.gz NRPUNHRFQYFMRY-UHFFFAOYSA-N -1 1 394.288 3.710 20 10 GHCDMM Cc1cccc(O[C@H]2CCN(Cc3c([O-])cc(Br)cc3F)C2)n1 ZINC001233032334 1038784787 /nfs/dbraw/zinc/78/47/87/1038784787.db2.gz DOHSGCFXNGGUQB-ZDUSSCGKSA-N -1 1 381.245 3.651 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])C[C@H](F)C1 ZINC001233416780 1039274930 /nfs/dbraw/zinc/27/49/30/1039274930.db2.gz WBDPJIWDGWNUQP-ZDUSSCGKSA-N -1 1 392.393 3.802 20 10 GHCDMM CCOC(=O)c1nc2c(s1)CN(Cc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001233419208 1039280236 /nfs/dbraw/zinc/28/02/36/1039280236.db2.gz NOCILQASBOTCSH-UHFFFAOYSA-N -1 1 386.395 3.603 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCN(c2ccc(Cl)nn2)CC1 ZINC001233496850 1039391337 /nfs/dbraw/zinc/39/13/37/1039391337.db2.gz KBMCOLCHDFRLJE-UHFFFAOYSA-N -1 1 391.855 3.572 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001234474510 1040058653 /nfs/dbraw/zinc/05/86/53/1040058653.db2.gz SRKKESVMJYCVCY-WDNDVIMCSA-N -1 1 377.437 3.610 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC(Oc2ccncc2)CC1 ZINC001235293790 1040767159 /nfs/dbraw/zinc/76/71/59/1040767159.db2.gz BZIGBGXAAYLLCR-UHFFFAOYSA-N -1 1 381.245 3.732 20 10 GHCDMM O=C(NCc1ccco1)C12CC(C1)CN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794611 1041899245 /nfs/dbraw/zinc/89/92/45/1041899245.db2.gz YEAWJTYVMRAWTJ-UHFFFAOYSA-N -1 1 381.259 3.573 20 10 GHCDMM COc1ccc(CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)c([O-])c1Cl ZINC001236801289 1041904245 /nfs/dbraw/zinc/90/42/45/1041904245.db2.gz FMRXDSUIBUDOOZ-UHFFFAOYSA-N -1 1 382.888 3.543 20 10 GHCDMM COc1ccc(C(=O)N2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)cc1 ZINC001236805176 1041906629 /nfs/dbraw/zinc/90/66/29/1041906629.db2.gz WJKHCZHOMHMMSY-UHFFFAOYSA-N -1 1 395.286 3.666 20 10 GHCDMM Cc1cc(CN(C)Cc2cc(Br)cc(C(F)(F)F)c2[O-])n(C)n1 ZINC001237780873 1042365885 /nfs/dbraw/zinc/36/58/85/1042365885.db2.gz HPADOADJBIQLDO-UHFFFAOYSA-N -1 1 392.219 3.847 20 10 GHCDMM C[C@@H]1CC[C@@H](CO)CN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237784155 1042367739 /nfs/dbraw/zinc/36/77/39/1042367739.db2.gz RHLZHWLDNWZTLK-NXEZZACHSA-N -1 1 382.220 3.766 20 10 GHCDMM [O-]c1c(CN2CCC[C@@]23CCOC3)cc(Br)cc1C(F)(F)F ZINC001237792736 1042372914 /nfs/dbraw/zinc/37/29/14/1042372914.db2.gz UYDYJQKJPGZMOI-AWEZNQCLSA-N -1 1 380.204 3.928 20 10 GHCDMM COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c(OC)c1 ZINC001301999868 1046778815 /nfs/dbraw/zinc/77/88/15/1046778815.db2.gz BIGPYPLEGQAZPP-UHFFFAOYSA-N -1 1 392.455 3.525 20 10 GHCDMM CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001305084050 1047886967 /nfs/dbraw/zinc/88/69/67/1047886967.db2.gz FQMKNHVIEUIKKP-ZDUSSCGKSA-N -1 1 382.888 3.699 20 10 GHCDMM Cc1ccccc1-c1cc(NCc2cc(Cl)cc(F)c2[O-])n(CCO)n1 ZINC001308244059 1049924017 /nfs/dbraw/zinc/92/40/17/1049924017.db2.gz FRJIWOKUKWKBSP-UHFFFAOYSA-N -1 1 375.831 3.961 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCNC(=O)[C@@H]2CC2CCCCC2)c1 ZINC001308823895 1050108638 /nfs/dbraw/zinc/10/86/38/1050108638.db2.gz AJMLMWYZUSNFAG-KRWDZBQOSA-N -1 1 395.341 3.734 20 10 GHCDMM Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001471336208 1073025338 /nfs/dbraw/zinc/02/53/38/1073025338.db2.gz PZUWPVJTSRLMOR-UHFFFAOYSA-N -1 1 392.507 3.750 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(Cn2cncn2)cc1 ZINC001474052275 1074248719 /nfs/dbraw/zinc/24/87/19/1074248719.db2.gz DJVQDWPNQPMNNZ-UHFFFAOYSA-N -1 1 377.217 3.546 20 10 GHCDMM CC(C)c1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000820197910 599311026 /nfs/dbraw/zinc/31/10/26/599311026.db2.gz PATSQNJZQSUGQO-DHDCSXOGSA-N -1 1 397.485 3.989 20 10 GHCDMM CC(C)c1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000820197910 599311028 /nfs/dbraw/zinc/31/10/28/599311028.db2.gz PATSQNJZQSUGQO-DHDCSXOGSA-N -1 1 397.485 3.989 20 10 GHCDMM CN(CC(=O)Nc1ccccc1Cl)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737397260 600409825 /nfs/dbraw/zinc/40/98/25/600409825.db2.gz RIVDYJIVLQHXAB-UHFFFAOYSA-N -1 1 398.846 3.968 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000738977437 600420278 /nfs/dbraw/zinc/42/02/78/600420278.db2.gz YHKWEDSCRZXRAG-INIZCTEOSA-N -1 1 393.439 3.771 20 10 GHCDMM CC(C)c1ncc2c(n1)CN(Cc1c(O)c(C(=O)[O-])cc3ccccc31)CC2 ZINC000827158544 600717379 /nfs/dbraw/zinc/71/73/79/600717379.db2.gz KZKXHFDUAYBMSE-UHFFFAOYSA-N -1 1 377.444 3.715 20 10 GHCDMM Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000321958239 601331803 /nfs/dbraw/zinc/33/18/03/601331803.db2.gz FHXNZMZMOOHLHE-UHFFFAOYSA-N -1 1 376.217 3.506 20 10 GHCDMM Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000822231910 606393876 /nfs/dbraw/zinc/39/38/76/606393876.db2.gz MHCAJMBZKJQEAK-RIYZIHGNSA-N -1 1 399.526 3.951 20 10 GHCDMM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000821492357 606393971 /nfs/dbraw/zinc/39/39/71/606393971.db2.gz NDNZABLUDFVQAA-NTEUORMPSA-N -1 1 399.526 3.896 20 10 GHCDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000177229154 836146205 /nfs/dbraw/zinc/14/62/05/836146205.db2.gz LHYAJYHAKMUDKO-UHFFFAOYSA-N -1 1 385.851 3.507 20 10 GHCDMM CC(=O)CCc1ccc(OCCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890757541 836683017 /nfs/dbraw/zinc/68/30/17/836683017.db2.gz HFYRLKMCYVLYDY-UHFFFAOYSA-N -1 1 375.852 3.653 20 10 GHCDMM CC(C)(C)n1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1Br ZINC000890761028 836710130 /nfs/dbraw/zinc/71/01/30/836710130.db2.gz ISNITOUBKUVMFW-UHFFFAOYSA-N -1 1 386.677 3.690 20 10 GHCDMM Cc1ccc(NCc2cccc(Br)c2[O-])c(OCC(=O)N(C)C)c1 ZINC000122573968 839745597 /nfs/dbraw/zinc/74/55/97/839745597.db2.gz VEKAJWAORLUACL-UHFFFAOYSA-N -1 1 393.281 3.542 20 10 GHCDMM COC(=O)C1(C)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141373253 843279088 /nfs/dbraw/zinc/27/90/88/843279088.db2.gz USHZFODDEIFGNA-UHFFFAOYSA-N -1 1 376.678 3.583 20 10 GHCDMM Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000731870364 861939031 /nfs/dbraw/zinc/93/90/31/861939031.db2.gz XEAWCVOOMUSULZ-UHFFFAOYSA-N -1 1 388.470 3.815 20 10 GHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000766047830 862525145 /nfs/dbraw/zinc/52/51/45/862525145.db2.gz LMTSTKIOXDZMGC-UHFFFAOYSA-N -1 1 398.278 3.775 20 10 GHCDMM CCN(CC)c1ccc(CN(C)C(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1 ZINC000729512921 855746477 /nfs/dbraw/zinc/74/64/77/855746477.db2.gz WTHDOQBNKVUKHJ-UHFFFAOYSA-N -1 1 378.476 3.762 20 10 GHCDMM CCN(CC)c1ccc(CN(C)C(=O)c2cnc3nc(C)ccc3c2[O-])cc1 ZINC000729512921 855746481 /nfs/dbraw/zinc/74/64/81/855746481.db2.gz WTHDOQBNKVUKHJ-UHFFFAOYSA-N -1 1 378.476 3.762 20 10 GHCDMM O=C(COC/C=C/c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765757063 856348350 /nfs/dbraw/zinc/34/83/50/856348350.db2.gz QCPXKHHJXQRDON-VMPITWQZSA-N -1 1 376.250 3.501 20 10 GHCDMM COc1cc(OC2CC2)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756915 856368388 /nfs/dbraw/zinc/36/83/88/856368388.db2.gz ORXBPOMUAPUVFO-UHFFFAOYSA-N -1 1 392.249 3.635 20 10 GHCDMM CCc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1C1CCCC1 ZINC000765770449 857712180 /nfs/dbraw/zinc/71/21/80/857712180.db2.gz RESKHRUVJCWOET-UHFFFAOYSA-N -1 1 392.297 3.959 20 10 GHCDMM CC(C)Cn1cnc2c1c1ccccc1nc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316518 881347031 /nfs/dbraw/zinc/34/70/31/881347031.db2.gz GUGUIOSOVBUGIQ-UHFFFAOYSA-N -1 1 390.443 3.947 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1cccc(F)c1F ZINC000764798598 859611748 /nfs/dbraw/zinc/61/17/48/859611748.db2.gz FYSDADQACHXYBS-SECBINFHSA-N -1 1 385.208 3.993 20 10 GHCDMM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764804920 859617088 /nfs/dbraw/zinc/61/70/88/859617088.db2.gz JYBCDAJHSJLYMQ-LSDHHAIUSA-N -1 1 385.302 3.548 20 10 GHCDMM CC1(C)Oc2ccc(NC(=O)NCc3cccc(Br)c3[O-])cc2O1 ZINC000765259831 859869615 /nfs/dbraw/zinc/86/96/15/859869615.db2.gz YIKRXTAEPASMNW-UHFFFAOYSA-N -1 1 393.237 3.984 20 10 GHCDMM Cc1cnc([C@@H](NC(=O)NCc2cccc(Br)c2[O-])C2CC2)s1 ZINC000765518756 860053598 /nfs/dbraw/zinc/05/35/98/860053598.db2.gz WKJLDPOFZPNMJW-ZDUSSCGKSA-N -1 1 396.310 3.870 20 10 GHCDMM CCC(CC)n1nc(C)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765729021 860491536 /nfs/dbraw/zinc/49/15/36/860491536.db2.gz XQDUHEWOASWPME-UHFFFAOYSA-N -1 1 380.286 3.951 20 10 GHCDMM CC(C)c1ccccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765728471 860493569 /nfs/dbraw/zinc/49/35/69/860493569.db2.gz SVIDAKMVLOPCII-UHFFFAOYSA-N -1 1 378.266 3.973 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000741136214 866263260 /nfs/dbraw/zinc/26/32/60/866263260.db2.gz KIUJJDACQPPXLI-UHFFFAOYSA-N -1 1 388.489 3.639 20 10 GHCDMM CC(=O)Nc1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1C(F)(F)F ZINC001193232957 870963080 /nfs/dbraw/zinc/96/30/80/870963080.db2.gz RZGUIGYOXPDRNO-UHFFFAOYSA-N -1 1 388.729 3.981 20 10 GHCDMM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000766891245 872061009 /nfs/dbraw/zinc/06/10/09/872061009.db2.gz BHPJZKSEUFVBLU-UHFFFAOYSA-N -1 1 390.244 3.595 20 10 GHCDMM C[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000857875582 882605345 /nfs/dbraw/zinc/60/53/45/882605345.db2.gz ULBJHERAQIVHBJ-QGHHPUGFSA-N -1 1 393.256 3.658 20 10 GHCDMM C[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1n1ccnc1 ZINC000121509300 874316515 /nfs/dbraw/zinc/31/65/15/874316515.db2.gz BYASHBCXIJZDND-UZLBHIALSA-N -1 1 391.471 3.608 20 10 GHCDMM C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1n1ccnc1 ZINC000121509300 874316526 /nfs/dbraw/zinc/31/65/26/874316526.db2.gz BYASHBCXIJZDND-UZLBHIALSA-N -1 1 391.471 3.608 20 10 GHCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1[O-] ZINC000109363610 876994903 /nfs/dbraw/zinc/99/49/03/876994903.db2.gz AITOSBMSUBXVGQ-UHFFFAOYSA-N -1 1 375.266 3.685 20 10 GHCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000747350172 884964445 /nfs/dbraw/zinc/96/44/45/884964445.db2.gz OCPBDJXLGIXPNX-UHFFFAOYSA-N -1 1 396.516 3.593 20 10 GHCDMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000761995239 885127946 /nfs/dbraw/zinc/12/79/46/885127946.db2.gz IAARLYXIRSLUCT-UHFFFAOYSA-N -1 1 399.852 3.640 20 10 GHCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000916566153 889141543 /nfs/dbraw/zinc/14/15/43/889141543.db2.gz NXWCBXRVKOROPY-GOSISDBHSA-N -1 1 388.895 3.933 20 10 GHCDMM O=C(COc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590193 889150945 /nfs/dbraw/zinc/15/09/45/889150945.db2.gz IBFADUIGTQZDHU-UHFFFAOYSA-N -1 1 378.380 3.570 20 10 GHCDMM O=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccc([O-])c(O)c1 ZINC000916589902 889151001 /nfs/dbraw/zinc/15/10/01/889151001.db2.gz FVSLQYOILRQGCZ-UHFFFAOYSA-N -1 1 378.380 3.717 20 10 GHCDMM CC1(C)COc2ccc(C(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000811460161 889619509 /nfs/dbraw/zinc/61/95/09/889619509.db2.gz ZBJVUTDBSCIHIX-UHFFFAOYSA-N -1 1 376.250 3.755 20 10 GHCDMM Cc1nn(C)c2cc(NC(=O)NCc3cccc(Br)c3[O-])ccc12 ZINC000812990572 891190241 /nfs/dbraw/zinc/19/02/41/891190241.db2.gz QPDANKIRNBJZKO-UHFFFAOYSA-N -1 1 389.253 3.672 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cc2c(cn1)CCCC2 ZINC000813014098 891241681 /nfs/dbraw/zinc/24/16/81/891241681.db2.gz PCJNGKSUERPHNI-UHFFFAOYSA-N -1 1 376.254 3.750 20 10 GHCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)c([O-])c1 ZINC001137081297 892266654 /nfs/dbraw/zinc/26/66/54/892266654.db2.gz CVMNCUFZPCBLPH-CYBMUJFWSA-N -1 1 380.366 3.532 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCc3c(ncn3-c3ccccc3)C2)c1[O-] ZINC000778237367 893530811 /nfs/dbraw/zinc/53/08/11/893530811.db2.gz OUDRFXZINBBWHV-UHFFFAOYSA-N -1 1 381.863 3.992 20 10 GHCDMM CN(C)c1ccc(C2(C(=O)NCc3cccc(Br)c3[O-])CC2)cc1 ZINC000816496357 894862460 /nfs/dbraw/zinc/86/24/60/894862460.db2.gz GSGODTNAPZUCLU-UHFFFAOYSA-N -1 1 389.293 3.569 20 10 GHCDMM CC[C@H](NCc1cc(Br)cc(F)c1[O-])c1nnc2n1CCCCC2 ZINC000882959653 897148126 /nfs/dbraw/zinc/14/81/26/897148126.db2.gz MJQLQYRCPIJQFS-AWEZNQCLSA-N -1 1 397.292 3.853 20 10 GHCDMM CCO[C@@H](C)n1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001174704699 907166557 /nfs/dbraw/zinc/16/65/57/907166557.db2.gz QOQWIAPCRPOMHP-LBPRGKRZSA-N -1 1 377.400 3.663 20 10 GHCDMM CC(C)(C)OC(=O)COc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180421094 910157264 /nfs/dbraw/zinc/15/72/64/910157264.db2.gz VTVLEWIIPQMKFE-UHFFFAOYSA-N -1 1 391.851 3.696 20 10 GHCDMM C[C@H](CC(=O)NCC(=O)c1ccc([O-])c(O)c1)Sc1ccc(Cl)cc1 ZINC001181770815 910972455 /nfs/dbraw/zinc/97/24/55/910972455.db2.gz LROURLPYVJOAET-LLVKDONJSA-N -1 1 379.865 3.621 20 10 GHCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000392916811 926408772 /nfs/dbraw/zinc/40/87/72/926408772.db2.gz VSKQEGXBYRDNEP-UHFFFAOYSA-N -1 1 395.742 3.563 20 10 GHCDMM Cc1cc(CSc2ccccc2C(=O)OCC(=O)c2ccc([O-])c(O)c2)on1 ZINC000782204127 931120464 /nfs/dbraw/zinc/12/04/64/931120464.db2.gz VYSAIOIOASOACX-UHFFFAOYSA-N -1 1 399.424 3.726 20 10 GHCDMM COc1ccc2cc([C@H](C)C(=O)OCC(=O)c3ccc([O-])c(O)c3)ccc2c1 ZINC000782495967 931241981 /nfs/dbraw/zinc/24/19/81/931241981.db2.gz RGLMZQWDCTWDSL-ZDUSSCGKSA-N -1 1 380.396 3.789 20 10 GHCDMM CC(=O)N1CCN(c2cccc(N[C@@H](C)c3cc(F)cc(F)c3[O-])c2)CC1 ZINC000783293966 931512324 /nfs/dbraw/zinc/51/23/24/931512324.db2.gz LCCYLWNTHHUPTR-ZDUSSCGKSA-N -1 1 375.419 3.512 20 10 GHCDMM Cc1ccnc(OC2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)c1 ZINC000783593667 931591333 /nfs/dbraw/zinc/59/13/33/931591333.db2.gz AIEKRGAFGZMOKV-UHFFFAOYSA-N -1 1 377.828 3.701 20 10 GHCDMM C[C@H](Cc1ccccc1)n1cccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784529193 931926125 /nfs/dbraw/zinc/92/61/25/931926125.db2.gz GGOMQSOPFSZRHE-OAHLLOKOSA-N -1 1 379.412 3.743 20 10 GHCDMM CCN(CC)c1ccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001603739510 974185488 /nfs/dbraw/zinc/18/54/88/974185488.db2.gz SHZOOGQBZXEAGV-GOSISDBHSA-N -1 1 385.508 3.717 20 10 GHCDMM CC1(C)OCc2cc(C[N@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])ccc2O1 ZINC001593980907 997196440 /nfs/dbraw/zinc/19/64/40/997196440.db2.gz OWOCHPUZXFRBJI-UHFFFAOYSA-N -1 1 391.851 3.778 20 10 GHCDMM CC1(C)OCc2cc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])ccc2O1 ZINC001593980907 997196444 /nfs/dbraw/zinc/19/64/44/997196444.db2.gz OWOCHPUZXFRBJI-UHFFFAOYSA-N -1 1 391.851 3.778 20 10 GHCDMM O=C(NC1(c2cccc3ccccc32)CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234571 1032465245 /nfs/dbraw/zinc/46/52/45/1032465245.db2.gz PASFJKAWSKDMAW-UHFFFAOYSA-N -1 1 387.391 3.777 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1CCOc2ccccc21 ZINC001228114524 1032789685 /nfs/dbraw/zinc/78/96/85/1032789685.db2.gz IBDNWDGXYZMQEG-IBGZPJMESA-N -1 1 378.380 3.937 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CC(F)(F)C1 ZINC001140464521 1021757995 /nfs/dbraw/zinc/75/79/95/1021757995.db2.gz SSYIGFWRQSOYJX-ZDUSSCGKSA-N -1 1 376.831 3.780 20 10 GHCDMM COc1cc(C2(C(=O)NCc3cccc(Br)c3[O-])CC2)ccc1C ZINC001156792385 1033243706 /nfs/dbraw/zinc/24/37/06/1033243706.db2.gz MOUKMEZZMPGTBX-UHFFFAOYSA-N -1 1 390.277 3.820 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001203575482 1027444872 /nfs/dbraw/zinc/44/48/72/1027444872.db2.gz OSYYBHDJFKXBCD-UHFFFAOYSA-N -1 1 381.307 3.507 20 10 GHCDMM Cc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC001213351690 1028128980 /nfs/dbraw/zinc/12/89/80/1028128980.db2.gz KAXISMBEOWZQPH-UHFFFAOYSA-N -1 1 391.474 3.542 20 10 GHCDMM N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccc2cccnc2c1[O-] ZINC001149315297 1030127537 /nfs/dbraw/zinc/12/75/37/1030127537.db2.gz XNVQXROSRZYUSV-IEOAKVAPSA-N -1 1 384.399 3.907 20 10 GHCDMM CC(C)(CNC(=O)NCc1cccc(Cl)c1[O-])c1ccc2c(c1)OCO2 ZINC001225153933 1031282427 /nfs/dbraw/zinc/28/24/27/1031282427.db2.gz JHNFDHFZQRPFHC-UHFFFAOYSA-N -1 1 376.840 3.551 20 10 GHCDMM C[C@@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1cccnc1F ZINC001229197828 1033335282 /nfs/dbraw/zinc/33/52/82/1033335282.db2.gz QTUNNZSHUCDYIP-SNVBAGLBSA-N -1 1 379.343 3.547 20 10 GHCDMM CC[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)(C)C ZINC001229785092 1033711152 /nfs/dbraw/zinc/71/11/52/1033711152.db2.gz DFEXEVONEXGPJL-HNNXBMFYSA-N -1 1 376.405 3.649 20 10 GHCDMM [O-]c1c(F)c(F)ccc1CN1CCN(c2ccc(Br)cc2)CC1 ZINC001233075994 1038838498 /nfs/dbraw/zinc/83/84/98/1038838498.db2.gz HWXFBMGARSJLLH-UHFFFAOYSA-N -1 1 383.236 3.755 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCN(c2ccnc(Cl)n2)CC1 ZINC001233494284 1039386575 /nfs/dbraw/zinc/38/65/75/1039386575.db2.gz BEVZVUVCHJBVPJ-UHFFFAOYSA-N -1 1 391.855 3.572 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001233496392 1039390039 /nfs/dbraw/zinc/39/00/39/1039390039.db2.gz FWFFASHYLAQXGD-XAYKYTGQSA-N -1 1 391.464 3.715 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233496792 1039391915 /nfs/dbraw/zinc/39/19/15/1039391915.db2.gz IXPFZEDCNPHAJM-GFCCVEGCSA-N -1 1 379.453 3.715 20 10 GHCDMM CCS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccc1F ZINC001253355730 1039567466 /nfs/dbraw/zinc/56/74/66/1039567466.db2.gz VRLUUWARDLTNID-UHFFFAOYSA-N -1 1 386.242 3.581 20 10 GHCDMM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277829711 1039807175 /nfs/dbraw/zinc/80/71/75/1039807175.db2.gz ITGXGDLCAZPHFF-BUXKBTBVSA-N -1 1 399.318 3.634 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCCN(c2ccc(F)cn2)CC1 ZINC001235293812 1040766937 /nfs/dbraw/zinc/76/69/37/1040766937.db2.gz CCOJABDLMFWURC-UHFFFAOYSA-N -1 1 398.251 3.540 20 10 GHCDMM CN1CCN(Cc2cc(F)cc(Br)c2[O-])[C@@H](c2ccccc2)C1 ZINC001235297638 1040767968 /nfs/dbraw/zinc/76/79/68/1040767968.db2.gz OTSFGHMIILXIAA-QGZVFWFLSA-N -1 1 379.273 3.783 20 10 GHCDMM CCCCCc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)o1 ZINC001256080083 1041512697 /nfs/dbraw/zinc/51/26/97/1041512697.db2.gz SHYKSWBDNYPZRM-UHFFFAOYSA-N -1 1 378.384 3.656 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)c1 ZINC001236662553 1041809862 /nfs/dbraw/zinc/80/98/62/1041809862.db2.gz FJIWJRKZTGWPHM-DGCLKSJQSA-N -1 1 382.220 3.741 20 10 GHCDMM CCOCc1cnc2n1CCN(Cc1cc(C)cc(Br)c1[O-])[C@@H]2C ZINC001236666635 1041813580 /nfs/dbraw/zinc/81/35/80/1041813580.db2.gz PEAFWFABMSKOOL-CYBMUJFWSA-N -1 1 394.313 3.773 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001236791989 1041896708 /nfs/dbraw/zinc/89/67/08/1041896708.db2.gz DGKKARCXKNNEMS-UHFFFAOYSA-N -1 1 392.290 3.546 20 10 GHCDMM COc1ccc(N2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)c(C)c1 ZINC001236808688 1041909590 /nfs/dbraw/zinc/90/95/90/1041909590.db2.gz IGUAMWXMFGLPSR-UHFFFAOYSA-N -1 1 376.884 3.693 20 10 GHCDMM O=C1Nc2ccccc2CN1C1CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237087553 1042029790 /nfs/dbraw/zinc/02/97/90/1042029790.db2.gz YUGUCMSRMBRRIZ-UHFFFAOYSA-N -1 1 378.259 3.931 20 10 GHCDMM C[C@@]1(O)CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237784144 1042366991 /nfs/dbraw/zinc/36/69/91/1042366991.db2.gz QSSDRFJURNYNJR-CQSZACIVSA-N -1 1 382.220 3.910 20 10 GHCDMM COc1ccccc1C(=O)NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237801273 1042377201 /nfs/dbraw/zinc/37/72/01/1042377201.db2.gz GVDGWPGVFBPNRE-UHFFFAOYSA-N -1 1 392.858 3.588 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001237935573 1042427196 /nfs/dbraw/zinc/42/71/96/1042427196.db2.gz CKKHVIBXKBNSON-RYQLBKOJSA-N -1 1 396.821 3.530 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001237936832 1042428170 /nfs/dbraw/zinc/42/81/70/1042428170.db2.gz GHNGBJWRVMFFCM-DFQSSKMNSA-N -1 1 392.858 3.528 20 10 GHCDMM O=S(=O)([N-]c1c(Cl)ccc2nc(Cl)ccc21)c1cccc2nonc21 ZINC001260440945 1045496308 /nfs/dbraw/zinc/49/63/08/1045496308.db2.gz AWYWANSNWDHIAC-UHFFFAOYSA-N -1 1 395.227 3.879 20 10 GHCDMM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1c(Cl)cc(Cl)cc1Cl ZINC001260559035 1045546332 /nfs/dbraw/zinc/54/63/32/1045546332.db2.gz NOEMQNALKFSUIK-UHFFFAOYSA-N -1 1 396.679 3.579 20 10 GHCDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1F ZINC001260754111 1045636814 /nfs/dbraw/zinc/63/68/14/1045636814.db2.gz MJHVBRYDRKHSFB-UHFFFAOYSA-N -1 1 395.411 3.710 20 10 GHCDMM O=S(=O)([N-]c1c(Cl)ccc2cccnc21)c1ccc(Cl)c2nonc21 ZINC001261073476 1045888912 /nfs/dbraw/zinc/88/89/12/1045888912.db2.gz WJSYNZMKKDHPIQ-UHFFFAOYSA-N -1 1 395.227 3.879 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(CNCc2nc(-c3ccncc3)cs2)c1[O-] ZINC000733332011 1049372301 /nfs/dbraw/zinc/37/23/01/1049372301.db2.gz VZFWDXZDNNPJNO-UHFFFAOYSA-N -1 1 376.825 3.762 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1sc(N2CCCC2)nc1Cl ZINC001323481982 1056975958 /nfs/dbraw/zinc/97/59/58/1056975958.db2.gz FRQIEXYCKOJREH-UHFFFAOYSA-N -1 1 384.248 3.839 20 10 GHCDMM COc1ccc2c(c1)c(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c(C)n2C1CC1 ZINC001326579147 1057515632 /nfs/dbraw/zinc/51/56/32/1057515632.db2.gz FDOIEYSIUMEKLA-UHFFFAOYSA-N -1 1 395.411 3.744 20 10 GHCDMM O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1c(F)ccc(O)c1[O-] ZINC001457825769 1063389654 /nfs/dbraw/zinc/38/96/54/1063389654.db2.gz XOGZTCHLNUOARM-NSHDSACASA-N -1 1 384.176 3.556 20 10 GHCDMM Cc1cc(NC(=O)NCc2cccc(Cl)c2[O-])ccc1C(=O)NC(C)C ZINC001351196183 1064302619 /nfs/dbraw/zinc/30/26/19/1064302619.db2.gz UYGQWFRJMAQAHI-UHFFFAOYSA-N -1 1 375.856 3.814 20 10 GHCDMM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c(F)ccc(O)c1[O-] ZINC001472554736 1073549340 /nfs/dbraw/zinc/54/93/40/1073549340.db2.gz UIVJCFPEJJBLMY-SNVBAGLBSA-N -1 1 384.226 3.576 20 10 GHCDMM c1[nH]c2ncccc2c1C1=CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000735398416 599263756 /nfs/dbraw/zinc/26/37/56/599263756.db2.gz FMNQHTZPTMEZLI-UHFFFAOYSA-N -1 1 394.442 3.585 20 10 GHCDMM c1[nH]c2ncccc2c1C1=CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735398416 599263758 /nfs/dbraw/zinc/26/37/58/599263758.db2.gz FMNQHTZPTMEZLI-UHFFFAOYSA-N -1 1 394.442 3.585 20 10 GHCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)cc1 ZINC000822241367 606389511 /nfs/dbraw/zinc/38/95/11/606389511.db2.gz SZVVLRFZCMXZBO-JYRVWZFOSA-N -1 1 385.499 3.642 20 10 GHCDMM COc1cccc([C@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CCO2)c1 ZINC000167511835 836248810 /nfs/dbraw/zinc/24/88/10/836248810.db2.gz AJMZPPZWDSNSPQ-LJQANCHMSA-N -1 1 375.852 3.830 20 10 GHCDMM Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890757311 836681960 /nfs/dbraw/zinc/68/19/60/836681960.db2.gz BZBGQBSGTDAHCS-CYBMUJFWSA-N -1 1 392.908 3.731 20 10 GHCDMM CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890758467 836689845 /nfs/dbraw/zinc/68/98/45/836689845.db2.gz ZIHPIMPPUAIMEU-CQSZACIVSA-N -1 1 375.852 3.651 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000890758946 836693349 /nfs/dbraw/zinc/69/33/49/836693349.db2.gz ZZJCAXBNTXLHQN-UHFFFAOYSA-N -1 1 387.867 3.606 20 10 GHCDMM O=S(=O)(c1ccc(NCc2cccc(Br)c2[O-])cc1)C(F)F ZINC000314699830 843584949 /nfs/dbraw/zinc/58/49/49/843584949.db2.gz UYJSBYPOIRTKTO-UHFFFAOYSA-N -1 1 392.221 3.763 20 10 GHCDMM CCCc1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC001211746761 844796588 /nfs/dbraw/zinc/79/65/88/844796588.db2.gz VYWVAWSOAJHILY-UHFFFAOYSA-N -1 1 384.295 3.586 20 10 GHCDMM O=C(CNc1ncc(Br)cc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001170314485 881344575 /nfs/dbraw/zinc/34/45/75/881344575.db2.gz AIWCISPBBWBEQP-UHFFFAOYSA-N -1 1 391.143 3.569 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000729517392 855820896 /nfs/dbraw/zinc/82/08/96/855820896.db2.gz FJYSAXQKXFFOAG-UHFFFAOYSA-N -1 1 398.440 3.808 20 10 GHCDMM CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765768270 857652546 /nfs/dbraw/zinc/65/25/46/857652546.db2.gz ILOGPWZVIDBEDS-MRXNPFEDSA-N -1 1 378.266 3.937 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1COc2ccccc21 ZINC000764798680 859613649 /nfs/dbraw/zinc/61/36/49/859613649.db2.gz HJDMKHKAXPXLRH-SMDDNHRTSA-N -1 1 391.265 3.519 20 10 GHCDMM CC(=O)Nc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1C ZINC000765240026 859859841 /nfs/dbraw/zinc/85/98/41/859859841.db2.gz BGRUWWBSEIXACA-UHFFFAOYSA-N -1 1 392.253 3.743 20 10 GHCDMM COc1cc(F)c(NC(=O)NCc2cccc(Br)c2[O-])cc1OC ZINC000765282524 859887844 /nfs/dbraw/zinc/88/78/44/859887844.db2.gz VSXXXEKKBFDDCF-UHFFFAOYSA-N -1 1 399.216 3.633 20 10 GHCDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765726350 860479640 /nfs/dbraw/zinc/47/96/40/860479640.db2.gz GCAFQRCOVCWFML-UHFFFAOYSA-N -1 1 386.249 3.783 20 10 GHCDMM CC(C)Oc1ccccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765727875 860485189 /nfs/dbraw/zinc/48/51/89/860485189.db2.gz QHSPEBCHLRILCO-UHFFFAOYSA-N -1 1 378.266 3.801 20 10 GHCDMM COc1ccc(CCCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765746312 860557332 /nfs/dbraw/zinc/55/73/32/860557332.db2.gz FKDFKUBDSWNNFN-UHFFFAOYSA-N -1 1 378.266 3.802 20 10 GHCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])C(=O)c1ccccc1 ZINC000765752519 860569742 /nfs/dbraw/zinc/56/97/42/860569742.db2.gz XCLHGFJSYKDCKG-LBPRGKRZSA-N -1 1 376.250 3.680 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000792702646 881628963 /nfs/dbraw/zinc/62/89/63/881628963.db2.gz WRPQWPPIWMPHFL-UHFFFAOYSA-N -1 1 386.882 3.527 20 10 GHCDMM CCN(CCC(=O)OC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000738096501 865484111 /nfs/dbraw/zinc/48/41/11/865484111.db2.gz LHOGDZRJMAOSDD-UHFFFAOYSA-N -1 1 395.455 3.859 20 10 GHCDMM C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193220877 870953356 /nfs/dbraw/zinc/95/33/56/870953356.db2.gz ZBXJDIGDBRHCIX-RYUDHWBXSA-N -1 1 398.887 3.517 20 10 GHCDMM O=c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1-c1ccccn1 ZINC001168526267 871760394 /nfs/dbraw/zinc/76/03/94/871760394.db2.gz UUJXNDYFCPHUBQ-UHFFFAOYSA-N -1 1 378.819 3.752 20 10 GHCDMM CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643975 872253073 /nfs/dbraw/zinc/25/30/73/872253073.db2.gz WZWPDPBNXSCIKJ-UHFFFAOYSA-N -1 1 393.846 3.604 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)ccc1O ZINC001196490954 873168839 /nfs/dbraw/zinc/16/88/39/873168839.db2.gz QQMMMFYUMXJNCH-UHFFFAOYSA-N -1 1 394.449 3.549 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn(Cc4ccccn4)c3)c([O-])cc21 ZINC001201423394 875681912 /nfs/dbraw/zinc/68/19/12/875681912.db2.gz ZCJOLFXJRLDZIF-UHFFFAOYSA-N -1 1 396.406 3.551 20 10 GHCDMM COc1ccc(NCc2cc(Br)cc(Br)c2[O-])nc1 ZINC000776250782 876050974 /nfs/dbraw/zinc/05/09/74/876050974.db2.gz LVBOPHXLAPRMKW-UHFFFAOYSA-N -1 1 388.059 3.933 20 10 GHCDMM COc1cc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])ccc1OCC(C)C ZINC000790068864 879413822 /nfs/dbraw/zinc/41/38/22/879413822.db2.gz GOTUPDWCCXKQGH-LBPRGKRZSA-N -1 1 377.412 3.771 20 10 GHCDMM CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000809684817 887704540 /nfs/dbraw/zinc/70/45/40/887704540.db2.gz OVZQEDWQTUVZHK-NSHDSACASA-N -1 1 386.876 3.874 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN[C@@H](C)c2noc(COC(C)C)n2)c1 ZINC000811519180 889672626 /nfs/dbraw/zinc/67/26/26/889672626.db2.gz XCRNOFPIEAWNOQ-NSHDSACASA-N -1 1 384.274 3.622 20 10 GHCDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1 ZINC000811704203 889878383 /nfs/dbraw/zinc/87/83/83/889878383.db2.gz BMXXVBNNOIQXSU-UHFFFAOYSA-N -1 1 399.896 3.918 20 10 GHCDMM COc1ccc(N(Cc2cccs2)Cc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000878232547 894115568 /nfs/dbraw/zinc/11/55/68/894115568.db2.gz GRUOMTCOPPSKBY-UHFFFAOYSA-N -1 1 383.473 3.532 20 10 GHCDMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816598948 894962345 /nfs/dbraw/zinc/96/23/45/894962345.db2.gz WYLMPCUKJDBFFA-GOSISDBHSA-N -1 1 378.831 3.715 20 10 GHCDMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001212768064 907386522 /nfs/dbraw/zinc/38/65/22/907386522.db2.gz MARKSGLSCBFHMZ-UHFFFAOYSA-N -1 1 377.404 3.711 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC001175196145 907407977 /nfs/dbraw/zinc/40/79/77/907407977.db2.gz WLKSVVDPPSCCKI-NHYWBVRUSA-N -1 1 382.888 3.736 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000267090483 909386282 /nfs/dbraw/zinc/38/62/82/909386282.db2.gz UGSYKEAIKGGTRJ-GFCCVEGCSA-N -1 1 395.908 3.845 20 10 GHCDMM CC(C)(C)OC(=O)/C=C/c1cc(C(=O)NCc2cccc(Cl)c2[O-])co1 ZINC001180419912 910157525 /nfs/dbraw/zinc/15/75/25/910157525.db2.gz FPWLIGWBKHNNOX-BQYQJAHWSA-N -1 1 377.824 3.924 20 10 GHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189037343 916359020 /nfs/dbraw/zinc/35/90/20/916359020.db2.gz YVSWJQGLUYJDFJ-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM O=C(c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1)N1CCC(CO)CC1 ZINC000294388754 916781442 /nfs/dbraw/zinc/78/14/42/916781442.db2.gz VFPUYWXXQKLEMZ-UHFFFAOYSA-N -1 1 392.858 3.641 20 10 GHCDMM C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(Br)cc(F)c1[O-] ZINC000757609924 929743236 /nfs/dbraw/zinc/74/32/36/929743236.db2.gz BGIMMJBUTQVYMT-SECBINFHSA-N -1 1 379.229 3.753 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC000781909091 931023978 /nfs/dbraw/zinc/02/39/78/931023978.db2.gz PFFQFHRFKLEGNZ-NSHDSACASA-N -1 1 381.236 3.532 20 10 GHCDMM Cc1nc(-c2ccccc2C)sc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784808592 932007033 /nfs/dbraw/zinc/00/70/33/932007033.db2.gz LDYTYYMJRXDNGE-UHFFFAOYSA-N -1 1 383.425 3.878 20 10 GHCDMM Cc1cc(Br)cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1O ZINC001594272086 957683538 /nfs/dbraw/zinc/68/35/38/957683538.db2.gz RDZUBVQCJIITIH-MRXNPFEDSA-N -1 1 376.250 3.647 20 10 GHCDMM CCCO[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203567416 1027438053 /nfs/dbraw/zinc/43/80/53/1027438053.db2.gz QJVGQROYDFYUSA-GFCCVEGCSA-N -1 1 393.119 3.918 20 10 GHCDMM CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155224348 1032463336 /nfs/dbraw/zinc/46/33/36/1032463336.db2.gz CMNJTIROIPYZSR-SZNDQCEHSA-N -1 1 389.448 3.608 20 10 GHCDMM O=C(NC1c2ccccc2-c2ccccc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232337 1032465435 /nfs/dbraw/zinc/46/54/35/1032465435.db2.gz SPIKWRKVPXNFLL-UHFFFAOYSA-N -1 1 385.375 3.704 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1CCc2ccccc2C1 ZINC001228111187 1032788723 /nfs/dbraw/zinc/78/87/23/1032788723.db2.gz SDDKJELQQAKBRD-SFHVURJKSA-N -1 1 376.408 3.971 20 10 GHCDMM CCCOC[C@H](C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228190192 1032831739 /nfs/dbraw/zinc/83/17/39/1032831739.db2.gz GCDZUTVFKRYJFL-SGTLLEGYSA-N -1 1 388.416 3.704 20 10 GHCDMM CO[C@@](C)(CNC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000836594299 1023154731 /nfs/dbraw/zinc/15/47/31/1023154731.db2.gz UYYBYVYOUUBPGJ-SFHVURJKSA-N -1 1 393.281 3.516 20 10 GHCDMM C[C@H](NCc1nnc2n1CCCCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000756356615 1023603962 /nfs/dbraw/zinc/60/39/62/1023603962.db2.gz FWLKHOGADMRMIJ-JTQLQIEISA-N -1 1 399.720 3.977 20 10 GHCDMM C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756450960 1023657727 /nfs/dbraw/zinc/65/77/27/1023657727.db2.gz WVFTWHFQLRNWDZ-AWEZNQCLSA-N -1 1 378.432 3.826 20 10 GHCDMM COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000839739025 1026240726 /nfs/dbraw/zinc/24/07/26/1026240726.db2.gz DNFQTHDFYBDCAX-UONOGXRCSA-N -1 1 376.250 3.583 20 10 GHCDMM COC[C@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC001203563114 1027436644 /nfs/dbraw/zinc/43/66/44/1027436644.db2.gz VTEFWWJQNQAAQE-LLVKDONJSA-N -1 1 379.092 3.528 20 10 GHCDMM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4cc(Cl)cc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001203575557 1027445409 /nfs/dbraw/zinc/44/54/09/1027445409.db2.gz RLJGKUZKXOWTLA-NZVBXONLSA-N -1 1 384.263 3.743 20 10 GHCDMM Cc1noc([C@H]2C[C@@H]3CCN(Cc4cc(Cl)cc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001203575556 1027445691 /nfs/dbraw/zinc/44/56/91/1027445691.db2.gz RLJGKUZKXOWTLA-COLVAYQJSA-N -1 1 384.263 3.743 20 10 GHCDMM COc1ccnc(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC001203586160 1027454322 /nfs/dbraw/zinc/45/43/22/1027454322.db2.gz LWEFWCRMJCUKIL-CYBMUJFWSA-N -1 1 384.263 3.541 20 10 GHCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000840918462 1027955574 /nfs/dbraw/zinc/95/55/74/1027955574.db2.gz UGFPYHWYNRIGIR-UHFFFAOYSA-N -1 1 375.368 3.667 20 10 GHCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1Br ZINC001214006369 1028503517 /nfs/dbraw/zinc/50/35/17/1028503517.db2.gz JILMGGJOVNQWRG-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM Cc1c(Br)cccc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001214006690 1028504043 /nfs/dbraw/zinc/50/40/43/1028504043.db2.gz URLCVADWTHWXSY-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3cc(Cl)ccc3F)no2)cc1CN1CCOCC1 ZINC001217054774 1030127057 /nfs/dbraw/zinc/12/70/57/1030127057.db2.gz KDWAPBRVUOWZQU-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM C[C@@H](COc1ccc(F)cc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC001224274234 1030951760 /nfs/dbraw/zinc/95/17/60/1030951760.db2.gz FRJWCXREEGJKNO-NSHDSACASA-N -1 1 397.244 3.561 20 10 GHCDMM COc1c2ccc(Cl)cc2sc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001154193251 1031978070 /nfs/dbraw/zinc/97/80/70/1031978070.db2.gz IICOQAPWYKQXAY-UHFFFAOYSA-N -1 1 391.832 3.587 20 10 GHCDMM COC(=O)c1ccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc2C)cc1 ZINC001159278855 1034519631 /nfs/dbraw/zinc/51/96/31/1034519631.db2.gz DRKZUVOBEMHHCT-UHFFFAOYSA-N -1 1 392.411 3.550 20 10 GHCDMM CCCC[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231565595 1034714939 /nfs/dbraw/zinc/71/49/39/1034714939.db2.gz HSUPWEKLCRORKR-KRWDZBQOSA-N -1 1 392.496 3.702 20 10 GHCDMM CCCC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231565595 1034714953 /nfs/dbraw/zinc/71/49/53/1034714953.db2.gz HSUPWEKLCRORKR-KRWDZBQOSA-N -1 1 392.496 3.702 20 10 GHCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3Cc4cccnc4C3)c2)nc1C ZINC001232451248 1038234226 /nfs/dbraw/zinc/23/42/26/1038234226.db2.gz JILAXNLPAJSBSK-UHFFFAOYSA-N -1 1 395.484 3.912 20 10 GHCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3C[C@@H](F)C[C@H]3CF)c2)nc1C ZINC001232452348 1038236725 /nfs/dbraw/zinc/23/67/25/1038236725.db2.gz UXFYQACGLBDIPY-GJZGRUSLSA-N -1 1 396.459 3.883 20 10 GHCDMM [O-]c1c(CN2Cc3nccn3C[C@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417478 1039277179 /nfs/dbraw/zinc/27/71/79/1039277179.db2.gz VYUMDMFWKWNIHB-OAHLLOKOSA-N -1 1 395.425 3.666 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001233496388 1039389728 /nfs/dbraw/zinc/38/97/28/1039389728.db2.gz FWFFASHYLAQXGD-RVZJWNSFSA-N -1 1 391.464 3.715 20 10 GHCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1C1CCCC1 ZINC001255876602 1041371776 /nfs/dbraw/zinc/37/17/76/1041371776.db2.gz CZFJVBSJTCDWOA-UHFFFAOYSA-N -1 1 378.270 3.705 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CC(C)(NC(=O)OC(C)(C)C)C2)c1 ZINC001236669956 1041818146 /nfs/dbraw/zinc/81/81/46/1041818146.db2.gz RALCVBYRDSQYBR-UHFFFAOYSA-N -1 1 385.302 3.562 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CC(N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001236673472 1041820676 /nfs/dbraw/zinc/82/06/76/1041820676.db2.gz MLWTXETWYODSEL-UHFFFAOYSA-N -1 1 385.302 3.514 20 10 GHCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2cn(CC3CC3)nc21 ZINC001237120598 1042048996 /nfs/dbraw/zinc/04/89/96/1042048996.db2.gz DQERLHHSAYLZJR-OAHLLOKOSA-N -1 1 393.890 3.927 20 10 GHCDMM O=C1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3[O-])C2)CN1c1ccsc1 ZINC001237798815 1042375828 /nfs/dbraw/zinc/37/58/28/1042375828.db2.gz BMCMTGMDIRPXPF-SFHVURJKSA-N -1 1 380.872 3.875 20 10 GHCDMM CS(=O)(=O)c1ccc(C2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)cc1 ZINC001237943196 1042432531 /nfs/dbraw/zinc/43/25/31/1042432531.db2.gz LMIMIOOWQOPTHN-UHFFFAOYSA-N -1 1 397.899 3.968 20 10 GHCDMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cccc2nsnc21 ZINC001260388748 1045487051 /nfs/dbraw/zinc/48/70/51/1045487051.db2.gz XIPIOHDYAUROHY-UHFFFAOYSA-N -1 1 378.237 3.938 20 10 GHCDMM CC(=O)N(Cc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1)C1CC1 ZINC001333376993 1051728112 /nfs/dbraw/zinc/72/81/12/1051728112.db2.gz XXMOAXFXSNOMHX-UHFFFAOYSA-N -1 1 387.867 3.878 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC001311774563 1052389014 /nfs/dbraw/zinc/38/90/14/1052389014.db2.gz IXEWFAWXIRSZID-DLBZAZTESA-N -1 1 378.831 3.904 20 10 GHCDMM COc1cccc(C(F)(F)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001448954568 1060304360 /nfs/dbraw/zinc/30/43/60/1060304360.db2.gz AKHXMUDJMHCAGO-UHFFFAOYSA-N -1 1 386.192 3.572 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001457039677 1062957682 /nfs/dbraw/zinc/95/76/82/1062957682.db2.gz YWGQFTKMEZLOGA-UHFFFAOYSA-N -1 1 386.713 3.841 20 10 GHCDMM CC(C)Oc1nc(NCc2cccc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC001458362939 1063764981 /nfs/dbraw/zinc/76/49/81/1063764981.db2.gz FDXLTMOFHOTRQX-UHFFFAOYSA-N -1 1 382.214 3.857 20 10 GHCDMM C[C@@](NC(=O)NCc1cccc(Br)c1[O-])(C1CC1)C(F)(F)F ZINC001467425800 1067290293 /nfs/dbraw/zinc/29/02/93/1067290293.db2.gz GDJHORWLNNELHC-CYBMUJFWSA-N -1 1 381.192 3.685 20 10 GHCDMM COc1c([O-])c(CN2CCCC[C@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC001474378575 1074374257 /nfs/dbraw/zinc/37/42/57/1074374257.db2.gz ASRWGHRJIPGPOG-AWEZNQCLSA-N -1 1 376.413 3.543 20 10 GHCDMM COC(=O)c1cc2ccccc2c(CN2Cc3ccc(C(=O)[O-])cc3C2)c1O ZINC000737678418 600078172 /nfs/dbraw/zinc/07/81/72/600078172.db2.gz RMDIYASOXVOLAN-UHFFFAOYSA-N -1 1 377.396 3.546 20 10 GHCDMM COc1cccc(C[N@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])c1 ZINC000728194518 835092800 /nfs/dbraw/zinc/09/28/00/835092800.db2.gz MODSIBSXMXEBCU-UHFFFAOYSA-N -1 1 377.440 3.969 20 10 GHCDMM COc1cccc(C[N@@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])c1 ZINC000728194518 835092810 /nfs/dbraw/zinc/09/28/10/835092810.db2.gz MODSIBSXMXEBCU-UHFFFAOYSA-N -1 1 377.440 3.969 20 10 GHCDMM COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C(=O)OC)ccc3[O-])ccc21 ZINC000505749498 851162170 /nfs/dbraw/zinc/16/21/70/851162170.db2.gz JKNCHWZGQXGKGV-UHFFFAOYSA-N -1 1 396.443 3.649 20 10 GHCDMM COc1ccc([C@H](C)CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765770889 857713239 /nfs/dbraw/zinc/71/32/39/857713239.db2.gz RVSJOZOXZGDBPS-GFCCVEGCSA-N -1 1 378.266 3.973 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1c(F)cccc1F ZINC000764761651 859599087 /nfs/dbraw/zinc/59/90/87/859599087.db2.gz CHCCWFKBSULBGM-SECBINFHSA-N -1 1 385.208 3.993 20 10 GHCDMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781784 859601777 /nfs/dbraw/zinc/60/17/77/859601777.db2.gz CBDIZQWUSRULAD-BBRMVZONSA-N -1 1 399.329 3.795 20 10 GHCDMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782297 859609332 /nfs/dbraw/zinc/60/93/32/859609332.db2.gz XJGZWUMVZQVIBG-MEDUHNTESA-N -1 1 375.266 3.887 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCC1(c2cccc(F)c2)CC1 ZINC000764784672 859618252 /nfs/dbraw/zinc/61/82/52/859618252.db2.gz RODZORJNMBSYPZ-UHFFFAOYSA-N -1 1 393.256 3.825 20 10 GHCDMM CC[C@H](C)n1ncc(NC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765387785 859951806 /nfs/dbraw/zinc/95/18/06/859951806.db2.gz GIMRWYGDJDNHOJ-JTQLQIEISA-N -1 1 381.274 3.952 20 10 GHCDMM CCOc1ccc(SCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765727049 860482996 /nfs/dbraw/zinc/48/29/96/860482996.db2.gz JVAQVHAJAMKYPL-UHFFFAOYSA-N -1 1 396.306 3.962 20 10 GHCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c(Cl)c1 ZINC000766201917 863856990 /nfs/dbraw/zinc/85/69/90/863856990.db2.gz XPCRJMUKWNMBGC-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM CN(c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1)C1CCCCC1 ZINC000742734212 867517401 /nfs/dbraw/zinc/51/74/01/867517401.db2.gz VVTZCBQGJILEES-UHFFFAOYSA-N -1 1 390.487 3.622 20 10 GHCDMM O=C(Nc1c[nH]c2nccc(Br)c12)c1ccc(O)c([O-])c1Cl ZINC001193220350 870951193 /nfs/dbraw/zinc/95/11/93/870951193.db2.gz STBOFLJDWHHICR-UHFFFAOYSA-N -1 1 382.601 3.642 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232210 870962409 /nfs/dbraw/zinc/96/24/09/870962409.db2.gz FUCMDBWRWIOQNC-UBHSHLNASA-N -1 1 395.883 3.866 20 10 GHCDMM O=C(CNC(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1)c1ccc([O-])c(O)c1 ZINC001195903431 872746482 /nfs/dbraw/zinc/74/64/82/872746482.db2.gz MALJXVMJMBJTFS-UHFFFAOYSA-N -1 1 386.407 3.859 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC[C@H](CCO)C1 ZINC000775680985 872812894 /nfs/dbraw/zinc/81/28/94/872812894.db2.gz LQCBXHNTXDKNMK-SNVBAGLBSA-N -1 1 393.119 3.512 20 10 GHCDMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1C ZINC000768507241 873343798 /nfs/dbraw/zinc/34/37/98/873343798.db2.gz FDEIKRZTCXHERS-UHFFFAOYSA-N -1 1 394.493 3.746 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1[O-] ZINC000768731592 873541045 /nfs/dbraw/zinc/54/10/45/873541045.db2.gz LPTBEUBFJWAVRP-MRXNPFEDSA-N -1 1 389.805 3.992 20 10 GHCDMM Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201221559 875585562 /nfs/dbraw/zinc/58/55/62/875585562.db2.gz DNHCQZJRXAHQQT-UHFFFAOYSA-N -1 1 399.428 3.718 20 10 GHCDMM COc1ccc(N2CC[C@H](Nc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000853758337 879264680 /nfs/dbraw/zinc/26/46/80/879264680.db2.gz CKRMBRGPWBLDSP-KRWDZBQOSA-N -1 1 391.475 3.560 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1C(F)(F)F ZINC001142534412 884603679 /nfs/dbraw/zinc/60/36/79/884603679.db2.gz INZIBLRDEQCNQC-AWEZNQCLSA-N -1 1 396.356 3.654 20 10 GHCDMM O=C([O-])/C=C/c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000013461777 885138393 /nfs/dbraw/zinc/13/83/93/885138393.db2.gz QLBOEHNQLDBVAG-WEVVVXLNSA-N -1 1 399.422 3.544 20 10 GHCDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1Cl ZINC000808115449 886026103 /nfs/dbraw/zinc/02/61/03/886026103.db2.gz DVQUNGBUJBVIIU-UHFFFAOYSA-N -1 1 394.207 3.646 20 10 GHCDMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115821 886026159 /nfs/dbraw/zinc/02/61/59/886026159.db2.gz UGSHFSRBXZEXHK-UHFFFAOYSA-N -1 1 394.207 3.646 20 10 GHCDMM O=S(=O)(c1cccc(NCc2c([O-])ccc(Cl)c2F)c1)N1CCCC1 ZINC000808438103 886347485 /nfs/dbraw/zinc/34/74/85/886347485.db2.gz RREIEOSAGBZWFU-UHFFFAOYSA-N -1 1 384.860 3.581 20 10 GHCDMM COCc1nc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])cs1 ZINC000810253313 888356446 /nfs/dbraw/zinc/35/64/46/888356446.db2.gz QQDDDBKQGGTEBU-QMMMGPOBSA-N -1 1 375.263 3.748 20 10 GHCDMM CC(=O)N1CCN(c2ccc(N[C@@H](C)c3cc(F)cc(F)c3[O-])cc2)CC1 ZINC000866625285 888975688 /nfs/dbraw/zinc/97/56/88/888975688.db2.gz BFNLRKROONZCJD-ZDUSSCGKSA-N -1 1 375.419 3.512 20 10 GHCDMM O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc([O-])c(O)c1 ZINC000916589457 889149264 /nfs/dbraw/zinc/14/92/64/889149264.db2.gz OHJYWMYQTYTSKE-UHFFFAOYSA-N -1 1 389.363 3.946 20 10 GHCDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000811703955 889878264 /nfs/dbraw/zinc/87/82/64/889878264.db2.gz MVWKXBSJDOVMPJ-UHFFFAOYSA-N -1 1 386.473 3.975 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCC1CCC(F)(F)CC1 ZINC000800022313 898512054 /nfs/dbraw/zinc/51/20/54/898512054.db2.gz QAGUORKEUDWBCE-UHFFFAOYSA-N -1 1 377.229 3.779 20 10 GHCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC001186655625 914711882 /nfs/dbraw/zinc/71/18/82/914711882.db2.gz NJUUZUIRVPAWJH-UHFFFAOYSA-N -1 1 385.441 3.781 20 10 GHCDMM COc1cnc([C@H]2CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[n-]c1=O ZINC000889794799 904768448 /nfs/dbraw/zinc/76/84/48/904768448.db2.gz ADIUSLJUTHPWIP-GOSISDBHSA-N -1 1 392.459 3.576 20 10 GHCDMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(N(C)C)cc1 ZINC000773611634 908431283 /nfs/dbraw/zinc/43/12/83/908431283.db2.gz IMGTZZUYFAQSES-MRXNPFEDSA-N -1 1 395.503 3.824 20 10 GHCDMM C[C@@H]1CN(C(=O)c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC001178900396 909303065 /nfs/dbraw/zinc/30/30/65/909303065.db2.gz CGZCDIWXJFLZIK-BETUJISGSA-N -1 1 376.403 3.532 20 10 GHCDMM COc1ccc(CN2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)CC2=O)cc1 ZINC001180595174 910261057 /nfs/dbraw/zinc/26/10/57/910261057.db2.gz ZNUNONOIXGBKGZ-UHFFFAOYSA-N -1 1 388.895 3.597 20 10 GHCDMM O=C(CSc1nnc(Nc2ccccc2F)s1)c1ccc([O-])c(O)c1 ZINC000010316308 924049565 /nfs/dbraw/zinc/04/95/65/924049565.db2.gz QURUAEVJXIBHCM-UHFFFAOYSA-N -1 1 377.422 3.807 20 10 GHCDMM Cc1oc2c(ccc([O-])c2CN2CCOC[C@H](C)C2)c(=O)c1-c1ccccc1 ZINC000753986337 929622924 /nfs/dbraw/zinc/62/29/24/929622924.db2.gz MLKGTFDHFRZRFO-OAHLLOKOSA-N -1 1 379.456 3.942 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000781912344 931024788 /nfs/dbraw/zinc/02/47/88/931024788.db2.gz PGKFDYWUJFTQSP-KRWDZBQOSA-N -1 1 378.266 3.742 20 10 GHCDMM O=C(C=Cc1cccc(OC2CCCC2)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783438614 931545498 /nfs/dbraw/zinc/54/54/98/931545498.db2.gz FTERCXJOAQDNMQ-DHZHZOJOSA-N -1 1 382.412 3.859 20 10 GHCDMM O=C(COC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccc([O-])c(O)c1 ZINC000784604442 931955177 /nfs/dbraw/zinc/95/51/77/931955177.db2.gz NXYKBAZAEOCAOI-UHFFFAOYSA-N -1 1 391.351 3.539 20 10 GHCDMM CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784629866 931963315 /nfs/dbraw/zinc/96/33/15/931963315.db2.gz ZZVUJVXQSVITGR-UHFFFAOYSA-N -1 1 390.819 3.776 20 10 GHCDMM Cc1cc(C)c(Br)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784728757 931989077 /nfs/dbraw/zinc/98/90/77/931989077.db2.gz KOCGQEVHIIKJOH-UHFFFAOYSA-N -1 1 379.206 3.517 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000798091947 932528773 /nfs/dbraw/zinc/52/87/73/932528773.db2.gz IYEULNVDJJURLL-SHTZXODSSA-N -1 1 375.266 3.900 20 10 GHCDMM O=C(CNC(=O)c1cn(CCCCCF)c2ccccc12)c1ccc([O-])c(O)c1 ZINC001154563277 1032184299 /nfs/dbraw/zinc/18/42/99/1032184299.db2.gz DKSBXKHETNBRNF-UHFFFAOYSA-N -1 1 398.434 3.805 20 10 GHCDMM CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155224344 1032463577 /nfs/dbraw/zinc/46/35/77/1032463577.db2.gz CMNJTIROIPYZSR-SPLOXXLWSA-N -1 1 389.448 3.608 20 10 GHCDMM Cc1ccc(CNC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c2ccccc12 ZINC001155234476 1032465232 /nfs/dbraw/zinc/46/52/32/1032465232.db2.gz NUKHIQAMKLHLHU-UHFFFAOYSA-N -1 1 375.380 3.596 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001227580131 1032471035 /nfs/dbraw/zinc/47/10/35/1032471035.db2.gz HCMNCYRCIHAVJL-PSLXWICFSA-N -1 1 394.423 3.622 20 10 GHCDMM O=C(NCCc1coc(-c2ccc(F)cc2)n1)NCc1cccc(Cl)c1[O-] ZINC001221645100 1032494201 /nfs/dbraw/zinc/49/42/01/1032494201.db2.gz GSXMNHARMUHQAA-UHFFFAOYSA-N -1 1 389.814 3.882 20 10 GHCDMM COC1=CC[C@H](Oc2cc([O-])cc3c2C(=O)C[C@H](c2ccc(O)c(O)c2)O3)CC1 ZINC001228191225 1032832509 /nfs/dbraw/zinc/83/25/09/1032832509.db2.gz PCBHJFZWZXDKLS-HNAYVOBHSA-N -1 1 398.411 3.972 20 10 GHCDMM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1C ZINC001141373050 1024760669 /nfs/dbraw/zinc/76/06/69/1024760669.db2.gz KVBREJAJYJFRMY-BXKDBHETSA-N -1 1 376.678 3.582 20 10 GHCDMM CCOC(=O)NC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141374210 1024767919 /nfs/dbraw/zinc/76/79/19/1024767919.db2.gz BUVICSIROVNDHI-UHFFFAOYSA-N -1 1 391.693 3.519 20 10 GHCDMM O=C(NCc1nc(-c2cccc(Cl)c2)no1)NCc1cccc(Cl)c1[O-] ZINC001222027970 1029940632 /nfs/dbraw/zinc/94/06/32/1029940632.db2.gz XHDFPDPFYGWTPU-UHFFFAOYSA-N -1 1 393.230 3.748 20 10 GHCDMM COc1ccc(Br)c(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)n1 ZINC001216954231 1030026433 /nfs/dbraw/zinc/02/64/33/1030026433.db2.gz SSFJNAPCDJGTJE-UHFFFAOYSA-N -1 1 398.600 3.634 20 10 GHCDMM Cc1cc(F)cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1F ZINC001217056603 1030128526 /nfs/dbraw/zinc/12/85/26/1030128526.db2.gz LSABPEJWWXAOEG-UHFFFAOYSA-N -1 1 387.386 3.528 20 10 GHCDMM Cc1nc2cccc(C(=O)Nc3cc4c(cc3[O-])C(=O)c3ccccc3C4=O)c2[nH]1 ZINC001153608425 1031668193 /nfs/dbraw/zinc/66/81/93/1031668193.db2.gz JLSKGSVJWKICQK-UHFFFAOYSA-N -1 1 397.390 3.605 20 10 GHCDMM Cc1cccc([C@H](C)Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001229794193 1033721882 /nfs/dbraw/zinc/72/18/82/1033721882.db2.gz ZVWXDHLQSVIHGG-LBPRGKRZSA-N -1 1 396.395 3.894 20 10 GHCDMM Cn1c(C(=O)NCc2cccc(Cl)c2[O-])cc2cc(Br)cnc21 ZINC001159041526 1034397551 /nfs/dbraw/zinc/39/75/51/1034397551.db2.gz QNXCJCKVNWSPJZ-UHFFFAOYSA-N -1 1 394.656 3.625 20 10 GHCDMM CCN1C(=O)C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])[C@H]1c1cccc(C)c1 ZINC001159041607 1034397673 /nfs/dbraw/zinc/39/76/73/1034397673.db2.gz UIAMGKRGXNKESZ-VQIMIIECSA-N -1 1 386.879 3.580 20 10 GHCDMM O=C(CNc1cnc(Cl)nc1Oc1cccc(F)c1)c1ccc([O-])c(O)c1 ZINC001159280217 1034520973 /nfs/dbraw/zinc/52/09/73/1034520973.db2.gz GUNWZTYIFGXDIW-UHFFFAOYSA-N -1 1 389.770 3.767 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231566007 1034714189 /nfs/dbraw/zinc/71/41/89/1034714189.db2.gz GZHYUDJJMBMBMJ-XYPHTWIQSA-N -1 1 375.465 3.565 20 10 GHCDMM CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541432 1034761248 /nfs/dbraw/zinc/76/12/48/1034761248.db2.gz XERRDJNEBGBBQB-LJQANCHMSA-N -1 1 395.341 3.830 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC001233027214 1038779326 /nfs/dbraw/zinc/77/93/26/1038779326.db2.gz NFFQZCGXIYATCT-CYBMUJFWSA-N -1 1 386.183 3.573 20 10 GHCDMM CC(=O)N(C(C)C)C1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233029619 1038780416 /nfs/dbraw/zinc/78/04/16/1038780416.db2.gz GGFZJZRTLOGFLU-UHFFFAOYSA-N -1 1 387.293 3.515 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCN(c2cc(Cl)ncn2)CC1 ZINC001233496355 1039389375 /nfs/dbraw/zinc/38/93/75/1039389375.db2.gz FHWHWCJBDZCLMH-UHFFFAOYSA-N -1 1 391.855 3.572 20 10 GHCDMM O=C1c2cccc(O)c2C(=O)c2c([O-])cc(-c3nnc(Cc4ccccc4)o3)cc21 ZINC001253495738 1039676565 /nfs/dbraw/zinc/67/65/65/1039676565.db2.gz LONOVNLUOYGSJP-UHFFFAOYSA-N -1 1 398.374 3.514 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001234478333 1040061238 /nfs/dbraw/zinc/06/12/38/1040061238.db2.gz YNSCRGJNAXICPC-KRWDZBQOSA-N -1 1 379.453 3.715 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001235308374 1040781237 /nfs/dbraw/zinc/78/12/37/1040781237.db2.gz PSNNZTBSVZYRHY-HNNXBMFYSA-N -1 1 381.245 3.732 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1F ZINC001237083944 1042028793 /nfs/dbraw/zinc/02/87/93/1042028793.db2.gz FQOKWKDIWZDJBX-NWDGAFQWSA-N -1 1 379.259 3.746 20 10 GHCDMM Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 ZINC001237605144 1042278919 /nfs/dbraw/zinc/27/89/19/1042278919.db2.gz QUXOBZVDHRNTSS-UHFFFAOYSA-N -1 1 395.200 3.851 20 10 GHCDMM C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001237784069 1042367485 /nfs/dbraw/zinc/36/74/85/1042367485.db2.gz PEUTYPBTNFUGOV-ZANVPECISA-N -1 1 382.220 3.766 20 10 GHCDMM COC(=O)C[C@@H]1CCCN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237791878 1042372795 /nfs/dbraw/zinc/37/27/95/1042372795.db2.gz MZWXEGZHHSQDDO-NSHDSACASA-N -1 1 396.203 3.701 20 10 GHCDMM O=C(c1cccc(F)c1)N1CC[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]21 ZINC001237812874 1042381509 /nfs/dbraw/zinc/38/15/09/1042381509.db2.gz IIVIRBUZDHLPJJ-SCLBCKFNSA-N -1 1 392.833 3.670 20 10 GHCDMM CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237943115 1042432593 /nfs/dbraw/zinc/43/25/93/1042432593.db2.gz INRNSVNGWCZOFN-LJQANCHMSA-N -1 1 393.842 3.856 20 10 GHCDMM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259356132 1045096467 /nfs/dbraw/zinc/09/64/67/1045096467.db2.gz MFALKDQCVVMZDO-UHFFFAOYSA-N -1 1 379.437 3.653 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC001259431750 1045149005 /nfs/dbraw/zinc/14/90/05/1045149005.db2.gz VCCMUBOWVSQMOM-UHFFFAOYSA-N -1 1 383.294 3.813 20 10 GHCDMM CC[C@H](C)S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccn1 ZINC001260741654 1045634582 /nfs/dbraw/zinc/63/45/82/1045634582.db2.gz MWDBBEBQWDUHDQ-NSHDSACASA-N -1 1 397.294 3.615 20 10 GHCDMM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001279674226 1047909602 /nfs/dbraw/zinc/90/96/02/1047909602.db2.gz FLYNMHPDYMXXQV-CQSZACIVSA-N -1 1 393.314 3.866 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CNc1ccn(CCF)n1 ZINC001308495876 1049990495 /nfs/dbraw/zinc/99/04/95/1049990495.db2.gz HTIGMBRDVPVZPX-UHFFFAOYSA-N -1 1 393.054 3.695 20 10 GHCDMM CC(C)OC(=O)C[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001308665118 1050052680 /nfs/dbraw/zinc/05/26/80/1050052680.db2.gz XCKFQXQYBQNHCR-LBPRGKRZSA-N -1 1 388.277 3.848 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1cccc(OC2CCCC2)c1 ZINC001337385183 1052462436 /nfs/dbraw/zinc/46/24/36/1052462436.db2.gz FOSXXIGJLOHCDT-UHFFFAOYSA-N -1 1 388.851 3.622 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnn2c1nc(C1CC1)cc2C(F)F ZINC001337460114 1052478042 /nfs/dbraw/zinc/47/80/42/1052478042.db2.gz SXCXYOTZYQJAME-UHFFFAOYSA-N -1 1 392.793 3.833 20 10 GHCDMM CC(C)C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])N(C)C(=O)OC(C)(C)C ZINC001457034534 1062955986 /nfs/dbraw/zinc/95/59/86/1062955986.db2.gz HSNVVSTXDKKWPW-HNNXBMFYSA-N -1 1 384.904 3.943 20 10 GHCDMM CN(c1ccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1)C1CCCCC1 ZINC001464544480 1065073046 /nfs/dbraw/zinc/07/30/46/1065073046.db2.gz ZJMMWIAHWPRCPQ-UHFFFAOYSA-N -1 1 395.532 3.717 20 10 GHCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1nn(-c2ccccc2)cc1[O-] ZINC001468668678 1067814967 /nfs/dbraw/zinc/81/49/67/1067814967.db2.gz KZVMGUNFRGYSHM-UHFFFAOYSA-N -1 1 378.215 3.520 20 10 GHCDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000765209977 1068111490 /nfs/dbraw/zinc/11/14/90/1068111490.db2.gz GAFNPWFZKPILPG-UHFFFAOYSA-N -1 1 380.198 3.693 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000765733226 1068120964 /nfs/dbraw/zinc/12/09/64/1068120964.db2.gz VNEAOQKUCCNQKF-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM COC(=O)c1ccc(F)c2c1CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC001460428304 1068961515 /nfs/dbraw/zinc/96/15/15/1068961515.db2.gz KKBBZRHOHRUCQY-UHFFFAOYSA-N -1 1 391.826 3.732 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(Cc2cccc(F)c2)CCOCC1 ZINC000890759186 836700326 /nfs/dbraw/zinc/70/03/26/836700326.db2.gz FXABPEUHHFNISD-UHFFFAOYSA-N -1 1 377.843 3.840 20 10 GHCDMM Cc1nc(C2CCN(Cc3cc(Cl)cc(Br)c3[O-])CC2)no1 ZINC001141373037 843273109 /nfs/dbraw/zinc/27/31/09/843273109.db2.gz KDJCDEUIAHPUFN-UHFFFAOYSA-N -1 1 386.677 3.879 20 10 GHCDMM CCOCCOCc1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000891916096 843796279 /nfs/dbraw/zinc/79/62/79/843796279.db2.gz MXNGOOYFZNAASL-UHFFFAOYSA-N -1 1 392.883 3.598 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c2cccnc12 ZINC000732526623 862337267 /nfs/dbraw/zinc/33/72/67/862337267.db2.gz SYMSWWNTGGJHFO-UHFFFAOYSA-N -1 1 383.473 3.644 20 10 GHCDMM O=C(NCCOc1ccc(Cl)cc1)NCc1cccc(Br)c1[O-] ZINC000764744197 859588478 /nfs/dbraw/zinc/58/84/78/859588478.db2.gz GIVOBZBXQKGRJW-UHFFFAOYSA-N -1 1 399.672 3.686 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1COc2ccc(Cl)cc21 ZINC000764798426 859612734 /nfs/dbraw/zinc/61/27/34/859612734.db2.gz RXOFVKRUZRZSGX-ZDUSSCGKSA-N -1 1 397.656 3.741 20 10 GHCDMM CCC(CC)[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000764805281 859617143 /nfs/dbraw/zinc/61/71/43/859617143.db2.gz KDOSLSLBIHAPOF-GDBMZVCRSA-N -1 1 399.329 3.938 20 10 GHCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])Oc1cccc(F)c1 ZINC000764789468 859620197 /nfs/dbraw/zinc/62/01/97/859620197.db2.gz FSEXZMNVRUCOKW-LLVKDONJSA-N -1 1 397.244 3.561 20 10 GHCDMM CCc1cc(NCc2cccc(Br)c2[O-])nc(-c2ccncc2)n1 ZINC000764935495 859690502 /nfs/dbraw/zinc/69/05/02/859690502.db2.gz VJXDMINHFMPGNF-UHFFFAOYSA-N -1 1 385.265 3.603 20 10 GHCDMM O=C(CCCOCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765727041 860482955 /nfs/dbraw/zinc/48/29/55/860482955.db2.gz JTJTWMWAIFDTGZ-UHFFFAOYSA-N -1 1 378.266 3.768 20 10 GHCDMM O=C(Cc1ccc(OC(F)F)cc1)NCc1cccc(Br)c1[O-] ZINC000765732546 860512457 /nfs/dbraw/zinc/51/24/57/860512457.db2.gz QPRFRXDKSSZXAO-UHFFFAOYSA-N -1 1 386.192 3.615 20 10 GHCDMM Cc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200559 863855530 /nfs/dbraw/zinc/85/55/30/863855530.db2.gz MESUODSXZNDXOV-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM CC[C@H]1NC(=O)N(c2cccc(NCc3cc(Cl)cc(F)c3[O-])c2)C1=O ZINC000793345450 882092906 /nfs/dbraw/zinc/09/29/06/882092906.db2.gz CLNRKSRBUBDZPQ-OAHLLOKOSA-N -1 1 377.803 3.632 20 10 GHCDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(C(C)C)c(O)cc3C)c2)o1 ZINC001192266761 870250309 /nfs/dbraw/zinc/25/03/09/870250309.db2.gz WRHRAVGAYNARKT-UHFFFAOYSA-N -1 1 387.461 3.983 20 10 GHCDMM Cc1ccc(-c2ccc(C)cc2C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001195696258 872590290 /nfs/dbraw/zinc/59/02/90/872590290.db2.gz ACIPZLSIDJQTBA-UHFFFAOYSA-N -1 1 375.424 3.994 20 10 GHCDMM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([O-])c(F)c1 ZINC000767938817 872972402 /nfs/dbraw/zinc/97/24/02/872972402.db2.gz CWTAOBSQACCQSG-UHFFFAOYSA-N -1 1 380.366 3.532 20 10 GHCDMM Cc1c(Br)cccc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001196552372 873206431 /nfs/dbraw/zinc/20/64/31/873206431.db2.gz NBYDLWOBIGXXLV-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM C[C@@H](NC(c1nccn1C)c1nccn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000527948005 873794469 /nfs/dbraw/zinc/79/44/69/873794469.db2.gz PMINNUREBQKJJA-SNVBAGLBSA-N -1 1 380.279 3.606 20 10 GHCDMM CC(C)c1cccc(C(C)C)c1NC(=S)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769790986 874292189 /nfs/dbraw/zinc/29/21/89/874292189.db2.gz GIKWVHILLDFOHZ-UHFFFAOYSA-N -1 1 399.524 3.629 20 10 GHCDMM CO[C@H](C)C(=O)Nc1cccc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC001199777984 875181184 /nfs/dbraw/zinc/18/11/84/875181184.db2.gz ZWYMHUZHXAYDBV-SNVBAGLBSA-N -1 1 397.244 3.879 20 10 GHCDMM O=C(NCc1ccccc1O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000109675088 877313921 /nfs/dbraw/zinc/31/39/21/877313921.db2.gz YOCYLUBHGZKPMY-UHFFFAOYSA-N -1 1 398.365 3.558 20 10 GHCDMM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1c([O-])c(O)ccc1F ZINC000789965826 879369644 /nfs/dbraw/zinc/36/96/44/879369644.db2.gz FDJQITSPFLCADV-JTQLQIEISA-N -1 1 382.229 3.751 20 10 GHCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1S(=O)(=O)NC1CC1 ZINC000809684270 887702869 /nfs/dbraw/zinc/70/28/69/887702869.db2.gz VPDYRCACSHMSOX-UHFFFAOYSA-N -1 1 384.860 3.546 20 10 GHCDMM O=C(COc1ccc2oc3c(c2c1)CCCC3)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916611233 889183735 /nfs/dbraw/zinc/18/37/35/889183735.db2.gz JANPQIVOONJECJ-UHFFFAOYSA-N -1 1 396.395 3.528 20 10 GHCDMM CC(C)OCc1c2ccccc2oc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916617961 889193875 /nfs/dbraw/zinc/19/38/75/889193875.db2.gz VSUCNYAOFQPALM-UHFFFAOYSA-N -1 1 384.384 3.809 20 10 GHCDMM Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000747814571 890929153 /nfs/dbraw/zinc/92/91/53/890929153.db2.gz BZVCUADFZQEUAL-LJQANCHMSA-N -1 1 391.471 3.572 20 10 GHCDMM Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000747814571 890929161 /nfs/dbraw/zinc/92/91/61/890929161.db2.gz BZVCUADFZQEUAL-LJQANCHMSA-N -1 1 391.471 3.572 20 10 GHCDMM CCOc1ccc(NC(=O)NCc2cccc(Br)c2[O-])nc1C ZINC000825882920 893228795 /nfs/dbraw/zinc/22/87/95/893228795.db2.gz PVVQLFNTHGQMTE-UHFFFAOYSA-N -1 1 380.242 3.579 20 10 GHCDMM CC1(C)N[C@H](c2cc(O)cc(Br)c2[O-])N(CC2CCCCC2)C1=O ZINC000877856361 893857705 /nfs/dbraw/zinc/85/77/05/893857705.db2.gz BQAKNUYMCOWVTN-INIZCTEOSA-N -1 1 397.313 3.650 20 10 GHCDMM COc1c([O-])c(CN2CCc3sc(Br)cc3C2)ccc1[N+](=O)[O-] ZINC000774909854 914011891 /nfs/dbraw/zinc/01/18/91/914011891.db2.gz OZBIYEFGGUNHBR-UHFFFAOYSA-N -1 1 399.266 3.691 20 10 GHCDMM CCCN(Cc1ccccc1O)C(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000129941212 896935437 /nfs/dbraw/zinc/93/54/37/896935437.db2.gz DTRGQSADWRPPLX-UHFFFAOYSA-N -1 1 388.518 3.814 20 10 GHCDMM O=C(NCCC[C@@H]1CC1(Cl)Cl)NCc1cccc(Br)c1[O-] ZINC000845675202 902294536 /nfs/dbraw/zinc/29/45/36/902294536.db2.gz RPFQSPCKBBYMGK-SNVBAGLBSA-N -1 1 396.112 3.928 20 10 GHCDMM COCCOc1ccccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001212640492 905346300 /nfs/dbraw/zinc/34/63/00/905346300.db2.gz UWPDJGMWUVIZJF-UHFFFAOYSA-N -1 1 389.407 3.936 20 10 GHCDMM C[S@@](=O)c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001175483602 907569514 /nfs/dbraw/zinc/56/95/14/907569514.db2.gz NGKAWQNFMLDFIU-HHHXNRCGSA-N -1 1 377.421 3.649 20 10 GHCDMM C[C@@H]1CN(C(=O)c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)C[C@@H](C)O1 ZINC001178900398 909303232 /nfs/dbraw/zinc/30/32/32/909303232.db2.gz CGZCDIWXJFLZIK-CHWSQXEVSA-N -1 1 376.403 3.532 20 10 GHCDMM O=C(CNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1)c1ccc([O-])c(O)c1 ZINC001181176308 910586865 /nfs/dbraw/zinc/58/68/65/910586865.db2.gz HLBUMTHUKIEELM-UHFFFAOYSA-N -1 1 393.361 3.537 20 10 GHCDMM COc1c([O-])c(CN2CCn3c(cc4c3cccc4Cl)C2)ccc1[N+](=O)[O-] ZINC000775204812 916252402 /nfs/dbraw/zinc/25/24/02/916252402.db2.gz RIONQADZEFNCIY-UHFFFAOYSA-N -1 1 387.823 3.933 20 10 GHCDMM C[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)c4ccccc43)c2)CC1 ZINC001189388883 916584115 /nfs/dbraw/zinc/58/41/15/916584115.db2.gz HYKSYGONPAIEHN-UHFFFAOYSA-N -1 1 399.491 3.532 20 10 GHCDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775291228 916838580 /nfs/dbraw/zinc/83/85/80/916838580.db2.gz GKZPFHWKTGHVHN-UHFFFAOYSA-N -1 1 383.853 3.558 20 10 GHCDMM Cn1c(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc2cccc(Cl)c21 ZINC000775321627 916948606 /nfs/dbraw/zinc/94/86/06/916948606.db2.gz YDEWSPYRWAXLDK-UHFFFAOYSA-N -1 1 381.219 3.784 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cccc(Br)c1 ZINC000385823143 926365064 /nfs/dbraw/zinc/36/50/64/926365064.db2.gz VECQWBKTJREMQV-UHFFFAOYSA-N -1 1 381.295 3.850 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCc3c(cnn3-c3ccccc3)C2)c1[O-] ZINC000750035995 927398719 /nfs/dbraw/zinc/39/87/19/927398719.db2.gz IQAUUZAOFHGZPC-UHFFFAOYSA-N -1 1 381.863 3.992 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCN(c3cccs3)CC2)c1[O-] ZINC000757615494 929746443 /nfs/dbraw/zinc/74/64/43/929746443.db2.gz RZRIIZFQDHUZAB-UHFFFAOYSA-N -1 1 394.496 3.713 20 10 GHCDMM C[C@H](O)[C@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892269 930629844 /nfs/dbraw/zinc/62/98/44/930629844.db2.gz IVSDXELWYAQVDS-UWVGGRQHSA-N -1 1 393.119 3.510 20 10 GHCDMM Cn1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc2cc(C(F)(F)F)ccc21 ZINC000783926289 931718826 /nfs/dbraw/zinc/71/88/26/931718826.db2.gz YWWASAVFXRFRAX-UHFFFAOYSA-N -1 1 393.317 3.648 20 10 GHCDMM CCN(Cc1cc(Br)ccc1O)C(=O)c1c(F)ccc([O-])c1F ZINC000798173677 932551752 /nfs/dbraw/zinc/55/17/52/932551752.db2.gz XPGFWPOWPMDJPB-UHFFFAOYSA-N -1 1 386.192 3.801 20 10 GHCDMM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000798940570 932826430 /nfs/dbraw/zinc/82/64/30/932826430.db2.gz TUOUUQMRIAVTFJ-XIKOKIGWSA-N -1 1 376.403 3.761 20 10 GHCDMM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000798958534 932839556 /nfs/dbraw/zinc/83/95/56/932839556.db2.gz CGDAAIAVOVLTRM-KRWDZBQOSA-N -1 1 378.831 3.715 20 10 GHCDMM CCc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n1 ZINC000829463885 935812856 /nfs/dbraw/zinc/81/28/56/935812856.db2.gz QEYXXTLXYJMYRC-UHFFFAOYSA-N -1 1 386.452 3.661 20 10 GHCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000829927184 935882876 /nfs/dbraw/zinc/88/28/76/935882876.db2.gz NQMMVKHTHAQKNI-UHFFFAOYSA-N -1 1 375.368 3.783 20 10 GHCDMM CCn1c(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])nc2ccccc21 ZINC001597854217 989606792 /nfs/dbraw/zinc/60/67/92/989606792.db2.gz ZVWZGZUTTNKKBK-UHFFFAOYSA-N -1 1 380.423 3.675 20 10 GHCDMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1Br)c1ccc(N(C)C)cc1 ZINC001593194244 994132550 /nfs/dbraw/zinc/13/25/50/994132550.db2.gz CEBUBNNDILJGDX-YVEFUNNKSA-N -1 1 377.282 3.992 20 10 GHCDMM CC(C)Cc1ccc([C@@H](C)NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cc1 ZINC001155235750 1032466833 /nfs/dbraw/zinc/46/68/33/1032466833.db2.gz QQKWOGQUZJTQAI-CYBMUJFWSA-N -1 1 381.428 3.894 20 10 GHCDMM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000834513973 1021236206 /nfs/dbraw/zinc/23/62/06/1021236206.db2.gz FUKFDZOPPRMZTL-UHFFFAOYSA-N -1 1 388.439 3.534 20 10 GHCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc(F)c1F ZINC000755985254 1023466529 /nfs/dbraw/zinc/46/65/29/1023466529.db2.gz NLBJYJNSAGEKTA-UHFFFAOYSA-N -1 1 399.415 3.690 20 10 GHCDMM C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)cc(F)c1[O-] ZINC000756818782 1023826735 /nfs/dbraw/zinc/82/67/35/1023826735.db2.gz HOSJQHNHAXMDMX-SNVBAGLBSA-N -1 1 394.244 3.997 20 10 GHCDMM C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)cc(F)c1[O-] ZINC000756831964 1023828147 /nfs/dbraw/zinc/82/81/47/1023828147.db2.gz QNNMYXVSVVCEJF-VIFPVBQESA-N -1 1 394.244 3.657 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1[O-] ZINC000839642755 1026152040 /nfs/dbraw/zinc/15/20/40/1026152040.db2.gz HUDHGHNRLNJUOH-OAQYLSRUSA-N -1 1 385.847 3.858 20 10 GHCDMM C[C@H]1CC[C@H](CO)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC001203565273 1027437169 /nfs/dbraw/zinc/43/71/69/1027437169.db2.gz YRMIIYUICCNRHO-UWVGGRQHSA-N -1 1 393.119 3.510 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3c(F)cc(CO)cc3F)c([O-])cc21 ZINC001214096952 1028546095 /nfs/dbraw/zinc/54/60/95/1028546095.db2.gz UBNHUZHGNGTQNQ-UHFFFAOYSA-N -1 1 381.334 3.682 20 10 GHCDMM O=C([O-])[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000841795150 1028942082 /nfs/dbraw/zinc/94/20/82/1028942082.db2.gz HJBQWWZHAUITOS-IBGZPJMESA-N -1 1 387.411 3.640 20 10 GHCDMM O=C([O-])[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000841795153 1028942230 /nfs/dbraw/zinc/94/22/30/1028942230.db2.gz HJBQWWZHAUITOS-LJQANCHMSA-N -1 1 387.411 3.640 20 10 GHCDMM CSc1cc2c(cc1NC(=O)NCc1cccc(Cl)c1[O-])OCCO2 ZINC001215053648 1029015040 /nfs/dbraw/zinc/01/50/40/1029015040.db2.gz QUDZWBWLDWWOKL-UHFFFAOYSA-N -1 1 380.853 3.860 20 10 GHCDMM CCN(CC)c1ccc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1F ZINC001219672978 1031551385 /nfs/dbraw/zinc/55/13/85/1031551385.db2.gz IUTJQPWOQMOUTJ-UHFFFAOYSA-N -1 1 397.454 3.885 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c(O[C@@H](c3cccnc3)C3CC3)cc([O-])c(O)c21 ZINC001229196345 1033333995 /nfs/dbraw/zinc/33/39/95/1033333995.db2.gz BLFUTBAZTAQBPC-HSZRJFAPSA-N -1 1 387.391 3.798 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC001205493233 1033438772 /nfs/dbraw/zinc/43/87/72/1033438772.db2.gz RSKMJDMKTTUISO-SFHVURJKSA-N -1 1 378.241 3.925 20 10 GHCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1OC1CCCCCCC1 ZINC001229791477 1033718516 /nfs/dbraw/zinc/71/85/16/1033718516.db2.gz NETIEHSTIFPAFA-UHFFFAOYSA-N -1 1 388.416 3.937 20 10 GHCDMM CO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccc(Br)s1 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CDUFXGXXDQANPW-MNOVXSKESA-N -1 1 375.250 3.626 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030882 1038781886 /nfs/dbraw/zinc/78/18/86/1038781886.db2.gz QSOULTQKRRYEOB-LLVKDONJSA-N -1 1 388.277 3.848 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001233032281 1038784612 /nfs/dbraw/zinc/78/46/12/1038784612.db2.gz XSHDUPWDKKUVFZ-CQSZACIVSA-N -1 1 381.245 3.732 20 10 GHCDMM Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333898 1039135143 /nfs/dbraw/zinc/13/51/43/1039135143.db2.gz LRYCHFIWDPFLRB-UHFFFAOYSA-N -1 1 396.441 3.791 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001233496335 1039389464 /nfs/dbraw/zinc/38/94/64/1039389464.db2.gz FAMALXBGIKALPX-SNVBAGLBSA-N -1 1 389.360 3.858 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 ZINC001233498763 1039393438 /nfs/dbraw/zinc/39/34/38/1039393438.db2.gz VFITXABIASJWHA-ZDUSSCGKSA-N -1 1 377.437 3.635 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C ZINC001234474018 1040055685 /nfs/dbraw/zinc/05/56/85/1040055685.db2.gz NBDVBJVOEGREAY-CWMCZYRISA-N -1 1 395.427 3.558 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CO[C@]2(C[C@@H](C)CC[C@@H]2C(C)C)O1 ZINC001234473856 1040056828 /nfs/dbraw/zinc/05/68/28/1040056828.db2.gz KTSUVLQPSMGMOA-DNNRVTFUSA-N -1 1 378.465 3.883 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C ZINC001234474021 1040056991 /nfs/dbraw/zinc/05/69/91/1040056991.db2.gz NBDVBJVOEGREAY-MWDQSAOVSA-N -1 1 395.427 3.558 20 10 GHCDMM CC[C@H](Oc1cc([O-])c(O)cc1C(C)=O)c1cc(OC)c(OC)c(OC)c1 ZINC001234476064 1040059461 /nfs/dbraw/zinc/05/94/61/1040059461.db2.gz KGHFPDNVGWKWHP-INIZCTEOSA-N -1 1 376.405 3.856 20 10 GHCDMM O=C(c1ccccc1)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235076208 1040564982 /nfs/dbraw/zinc/56/49/82/1040564982.db2.gz UGWKHRMNUNEAKZ-CYBMUJFWSA-N -1 1 378.241 3.999 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001235299310 1040772849 /nfs/dbraw/zinc/77/28/49/1040772849.db2.gz SCDBIWDLIKMXDT-UHFFFAOYSA-N -1 1 392.272 3.562 20 10 GHCDMM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235305275 1040779235 /nfs/dbraw/zinc/77/92/35/1040779235.db2.gz LIVYENXRXPIBNN-NSHDSACASA-N -1 1 388.277 3.848 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001236791119 1041896511 /nfs/dbraw/zinc/89/65/11/1041896511.db2.gz XUVIIDNIMBXDPN-YTQUADARSA-N -1 1 395.286 3.905 20 10 GHCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(Cl)c(Cl)cc1[O-])[C@H]2C ZINC001236804817 1041906434 /nfs/dbraw/zinc/90/64/34/1041906434.db2.gz UEWMMOAPPFZSHE-JTQLQIEISA-N -1 1 384.263 3.649 20 10 GHCDMM COc1ccc(CN2CCN(c3nccc4ccccc43)CC2)c([O-])c1Cl ZINC001236811034 1041911603 /nfs/dbraw/zinc/91/16/03/1041911603.db2.gz FFZJTWCNNAPRSS-UHFFFAOYSA-N -1 1 383.879 3.925 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1F ZINC001237077318 1042024732 /nfs/dbraw/zinc/02/47/32/1042024732.db2.gz FQOKWKDIWZDJBX-RYUDHWBXSA-N -1 1 379.259 3.746 20 10 GHCDMM C[N@@H+](Cc1nc2ccccc2o1)Cc1cccc(I)c1[O-] ZINC001237784039 1042367185 /nfs/dbraw/zinc/36/71/85/1042367185.db2.gz QXZVPPSFNCLWGL-UHFFFAOYSA-N -1 1 394.212 3.770 20 10 GHCDMM O=C(c1ccccc1Cl)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237949863 1042435261 /nfs/dbraw/zinc/43/52/61/1042435261.db2.gz NMVIMUNSFCFPEE-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM O=S(=O)([N-]c1ccc(Cl)c(F)c1Cl)c1cccc2nsnc21 ZINC001260387954 1045486581 /nfs/dbraw/zinc/48/65/81/1045486581.db2.gz HGBVMPRANJOYMJ-UHFFFAOYSA-N -1 1 378.237 3.938 20 10 GHCDMM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1Cl ZINC001260432555 1045493546 /nfs/dbraw/zinc/49/35/46/1045493546.db2.gz NCSDGEIGAWEDTL-UHFFFAOYSA-N -1 1 396.679 3.579 20 10 GHCDMM O=S(=O)([N-]c1cc(OCc2ccccc2)ccc1F)c1cccc2nonc21 ZINC001260441666 1045496810 /nfs/dbraw/zinc/49/68/10/1045496810.db2.gz VOOPFEBQSJTKDY-UHFFFAOYSA-N -1 1 399.403 3.742 20 10 GHCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C)n1C[C@H]1CCCOC1 ZINC001305084107 1047887533 /nfs/dbraw/zinc/88/75/33/1047887533.db2.gz GXDNXPFBOGDWMW-OAHLLOKOSA-N -1 1 376.884 3.821 20 10 GHCDMM COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cccc(Br)c1[O-] ZINC001307108542 1049080211 /nfs/dbraw/zinc/08/02/11/1049080211.db2.gz LFVRMLOVMFDRAG-UHFFFAOYSA-N -1 1 395.209 3.770 20 10 GHCDMM CN(CC(=O)N(C)C1CCCCC1)Cc1cc(Br)cc(F)c1[O-] ZINC001308862151 1050127877 /nfs/dbraw/zinc/12/78/77/1050127877.db2.gz SIXFJRKXTORCLV-UHFFFAOYSA-N -1 1 387.293 3.517 20 10 GHCDMM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCc1cccc(Cl)c1[O-] ZINC001309941156 1051062097 /nfs/dbraw/zinc/06/20/97/1051062097.db2.gz PYGROBASXPWMFP-UHFFFAOYSA-N -1 1 380.680 3.972 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1cnn(Cc2cccnc2)c1 ZINC001200056903 1065092413 /nfs/dbraw/zinc/09/24/13/1065092413.db2.gz HQZDSKLDJPOCQM-UHFFFAOYSA-N -1 1 377.217 3.546 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000765748621 1068120914 /nfs/dbraw/zinc/12/09/14/1068120914.db2.gz XYRPHPMMGHZXGT-UHFFFAOYSA-N -1 1 391.177 3.739 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc2c(c1)CCO2 ZINC001471453885 1073083093 /nfs/dbraw/zinc/08/30/93/1073083093.db2.gz HFHDBOUMSRYHQX-LLVKDONJSA-N -1 1 391.265 3.650 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCN2CCOc3cccc1c32 ZINC001474432947 1074403444 /nfs/dbraw/zinc/40/34/44/1074403444.db2.gz GUYUPCQVZVLBDL-UHFFFAOYSA-N -1 1 379.229 3.513 20 10 GHCDMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000822361867 606393774 /nfs/dbraw/zinc/39/37/74/606393774.db2.gz JNSFAKXRZRHSDJ-MDWZMJQESA-N -1 1 385.499 3.642 20 10 GHCDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C2CC2)c(C)n1-c1cccc(C)c1 ZINC000066638017 836573321 /nfs/dbraw/zinc/57/33/21/836573321.db2.gz NRBZOGANHSHFTR-UHFFFAOYSA-N -1 1 381.505 3.922 20 10 GHCDMM CCCNC(=O)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893920346 844251226 /nfs/dbraw/zinc/25/12/26/844251226.db2.gz RKRMPLCFIPRUMI-UHFFFAOYSA-N -1 1 389.721 3.546 20 10 GHCDMM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(Br)cc(F)c1[O-] ZINC000894061746 844451640 /nfs/dbraw/zinc/45/16/40/844451640.db2.gz JSKBOSAXNVEIOK-JOCHJYFZSA-N -1 1 386.286 3.663 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000894170571 844481872 /nfs/dbraw/zinc/48/18/72/844481872.db2.gz DOXPDEBVKPJECX-NVXWUHKLSA-N -1 1 378.831 3.904 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1nnc(C2CCOCC2)s1 ZINC000905413087 856309885 /nfs/dbraw/zinc/30/98/85/856309885.db2.gz LNHDRVOZBRBYHR-UHFFFAOYSA-N -1 1 388.262 3.651 20 10 GHCDMM COc1c(NCC(=O)c2ccc([O-])c(O)c2)cccc1OCc1ccccc1 ZINC001170320657 881354414 /nfs/dbraw/zinc/35/44/14/881354414.db2.gz HGWIMSSACZMUSI-UHFFFAOYSA-N -1 1 379.412 3.980 20 10 GHCDMM Cc1cccc(C)c1OCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764764089 859600411 /nfs/dbraw/zinc/60/04/11/859600411.db2.gz XPYONYSOFCIOBO-UHFFFAOYSA-N -1 1 393.281 3.650 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCc2ccccc2C1 ZINC000764784567 859603113 /nfs/dbraw/zinc/60/31/13/859603113.db2.gz QPPZPWPPPWGISC-CYBMUJFWSA-N -1 1 389.293 3.759 20 10 GHCDMM O=C(NCc1ccc(F)c(Cl)c1)NCc1cccc(Br)c1[O-] ZINC000764768995 859603746 /nfs/dbraw/zinc/60/37/46/859603746.db2.gz MAJJPCFZMRHUIX-UHFFFAOYSA-N -1 1 387.636 3.947 20 10 GHCDMM COc1cc(Cl)ccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764780306 859608270 /nfs/dbraw/zinc/60/82/70/859608270.db2.gz NUACECREGHJIIS-UHFFFAOYSA-N -1 1 399.672 3.816 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(N(C)C)cc1 ZINC000764803032 859615381 /nfs/dbraw/zinc/61/53/81/859615381.db2.gz BOXYICWGTRRDFB-GFCCVEGCSA-N -1 1 392.297 3.781 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnc(-c2ccccc2)nc1 ZINC000765253836 859868748 /nfs/dbraw/zinc/86/87/48/859868748.db2.gz UWJXZNYHLVBYJD-UHFFFAOYSA-N -1 1 399.248 3.933 20 10 GHCDMM CCOc1ccc(OC)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765280241 859886969 /nfs/dbraw/zinc/88/69/69/859886969.db2.gz JEIVWRQXKZZYOS-UHFFFAOYSA-N -1 1 395.253 3.884 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ncn(C2CCCCC2)n1 ZINC000765344696 859921957 /nfs/dbraw/zinc/92/19/57/859921957.db2.gz OISAPWWJCQICPY-UHFFFAOYSA-N -1 1 394.273 3.573 20 10 GHCDMM O=C(Cc1ccccc1OC(F)F)NCc1cccc(Br)c1[O-] ZINC000765729520 860486046 /nfs/dbraw/zinc/48/60/46/860486046.db2.gz NVQCKTNWBBXWGV-UHFFFAOYSA-N -1 1 386.192 3.615 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@H]1c1cccc(F)c1F ZINC000765730563 860497834 /nfs/dbraw/zinc/49/78/34/860497834.db2.gz CZQFRJQBJOSHHA-RYUDHWBXSA-N -1 1 382.204 3.853 20 10 GHCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1CCC(C)C ZINC000765735251 860520289 /nfs/dbraw/zinc/52/02/89/860520289.db2.gz FSQLIZAFCGLISF-UHFFFAOYSA-N -1 1 380.286 3.636 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(Br)c1 ZINC000765736618 860533387 /nfs/dbraw/zinc/53/33/87/860533387.db2.gz PPGBBSHZNRISEC-UHFFFAOYSA-N -1 1 391.084 3.909 20 10 GHCDMM CCCc1c(C(=O)NCc2cccc(Br)c2[O-])[nH]c(C)c1C(C)=O ZINC000765747449 860562655 /nfs/dbraw/zinc/56/26/55/860562655.db2.gz NLVILUSSSKRLCS-UHFFFAOYSA-N -1 1 393.281 3.876 20 10 GHCDMM CCOc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1OCC ZINC000765750259 860563470 /nfs/dbraw/zinc/56/34/70/860563470.db2.gz DUCGPMAAZOINQZ-UHFFFAOYSA-N -1 1 394.265 3.882 20 10 GHCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1OCC ZINC000792703053 881628987 /nfs/dbraw/zinc/62/89/87/881628987.db2.gz PWNPHTHNTFSKFU-UHFFFAOYSA-N -1 1 383.491 3.712 20 10 GHCDMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000445477008 868502766 /nfs/dbraw/zinc/50/27/66/868502766.db2.gz LFPSVSHORUJYFB-UHFFFAOYSA-N -1 1 395.415 3.773 20 10 GHCDMM COc1cc(C)ccc1OC1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193233470 870963030 /nfs/dbraw/zinc/96/30/30/870963030.db2.gz ZWRDGYDOQUTPJY-UHFFFAOYSA-N -1 1 391.851 3.752 20 10 GHCDMM CCOC(=O)CCc1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1F ZINC001193229511 870990518 /nfs/dbraw/zinc/99/05/18/870990518.db2.gz KGQWOBQVULPXGP-UHFFFAOYSA-N -1 1 381.787 3.638 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(O)ccc1C(F)(F)F ZINC000793972415 882509864 /nfs/dbraw/zinc/50/98/64/882509864.db2.gz WXHWEVCFJNZRLE-UHFFFAOYSA-N -1 1 390.155 3.809 20 10 GHCDMM O=C(CNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)c1ccc([O-])c(O)c1 ZINC001195277821 872302956 /nfs/dbraw/zinc/30/29/56/872302956.db2.gz AXSNWHCDAPANFI-WCWDXBQESA-N -1 1 391.383 3.832 20 10 GHCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]OCc2ccc(F)cc2)C1 ZINC000767994052 873008260 /nfs/dbraw/zinc/00/82/60/873008260.db2.gz UOADMEXBWBSQBG-UHFFFAOYSA-N -1 1 395.478 3.795 20 10 GHCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC001196491390 873170078 /nfs/dbraw/zinc/17/00/78/873170078.db2.gz FBSGDHMYAPWRAK-UHFFFAOYSA-N -1 1 391.493 3.900 20 10 GHCDMM O=C(CC1CCCC1)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768251174 873191350 /nfs/dbraw/zinc/19/13/50/873191350.db2.gz JQKKJAQJOISXCR-UHFFFAOYSA-N -1 1 395.887 3.568 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c(Br)c1 ZINC001198075883 874199946 /nfs/dbraw/zinc/19/99/46/874199946.db2.gz UBCQRTQWMDGJAR-UHFFFAOYSA-N -1 1 386.267 3.581 20 10 GHCDMM O=C(Cc1csc2ccc(Cl)cc12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784336544 875503725 /nfs/dbraw/zinc/50/37/25/875503725.db2.gz QSBGMPKMAYPPFR-UHFFFAOYSA-N -1 1 376.817 3.935 20 10 GHCDMM C[C@@H](NCc1ncnn1-c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000786936594 877065927 /nfs/dbraw/zinc/06/59/27/877065927.db2.gz GCSLMQNOFLZYID-LLVKDONJSA-N -1 1 391.244 3.725 20 10 GHCDMM O=C(COC(=O)c1cccc(COc2cccc(F)c2)c1)c1ccc([O-])c(O)c1 ZINC000783673828 877540598 /nfs/dbraw/zinc/54/05/98/877540598.db2.gz ONQYRWGJZLVJBB-UHFFFAOYSA-N -1 1 396.370 3.856 20 10 GHCDMM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1OC ZINC000790346824 879615176 /nfs/dbraw/zinc/61/51/76/879615176.db2.gz TYJZJBNOOQEIIW-UHFFFAOYSA-N -1 1 385.869 3.789 20 10 GHCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1ccc(Br)s1 ZINC000808113943 886022699 /nfs/dbraw/zinc/02/26/99/886022699.db2.gz NMXCMVMWWOWOTP-UHFFFAOYSA-N -1 1 386.651 3.810 20 10 GHCDMM C[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794842884 888419635 /nfs/dbraw/zinc/41/96/35/888419635.db2.gz SZXSXWJIYZXDHM-QMTHXVAHSA-N -1 1 386.326 3.583 20 10 GHCDMM C[C@@H](NCc1nc(C(F)(F)F)n2c1CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866559025 888932501 /nfs/dbraw/zinc/93/25/01/888932501.db2.gz AUYMEYONMWKGPS-SNVBAGLBSA-N -1 1 384.358 3.703 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811803198 889987438 /nfs/dbraw/zinc/98/74/38/889987438.db2.gz IKAHNGMDNQPLAH-INIZCTEOSA-N -1 1 397.862 3.626 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811803198 889987456 /nfs/dbraw/zinc/98/74/56/889987456.db2.gz IKAHNGMDNQPLAH-INIZCTEOSA-N -1 1 397.862 3.626 20 10 GHCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1-n1nnnc1C1CC1 ZINC000816527332 894925467 /nfs/dbraw/zinc/92/54/67/894925467.db2.gz FRDOLROHKLWCIS-UHFFFAOYSA-N -1 1 389.818 3.659 20 10 GHCDMM Cc1cc(S(=O)(=O)N(C)C)cc(NCc2cc(Cl)c(F)cc2[O-])c1C ZINC000816607094 894968637 /nfs/dbraw/zinc/96/86/37/894968637.db2.gz FLKQSWCYBUJDQB-UHFFFAOYSA-N -1 1 386.876 3.664 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000846014843 902593936 /nfs/dbraw/zinc/59/39/36/902593936.db2.gz JWIPSHXESYXYCK-GHMZBOCLSA-N -1 1 396.203 3.519 20 10 GHCDMM CC(=O)NCc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001174234725 906926257 /nfs/dbraw/zinc/92/62/57/906926257.db2.gz XMQXVEMNFQPUCV-UHFFFAOYSA-N -1 1 386.407 3.547 20 10 GHCDMM C[C@H]1CN(C(=O)c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC001178900399 909302910 /nfs/dbraw/zinc/30/29/10/909302910.db2.gz CGZCDIWXJFLZIK-STQMWFEESA-N -1 1 376.403 3.532 20 10 GHCDMM COc1cccc2c1nc(NCc1cc(Br)cc(F)c1[O-])n2C ZINC001179484564 909549776 /nfs/dbraw/zinc/54/97/76/909549776.db2.gz NCXQTZNEJWGSPR-UHFFFAOYSA-N -1 1 380.217 3.801 20 10 GHCDMM O=C(NC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC001180092799 909913655 /nfs/dbraw/zinc/91/36/55/909913655.db2.gz NXAAPFFSHQOZSZ-QGZVFWFLSA-N -1 1 376.859 3.969 20 10 GHCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001182570070 911874794 /nfs/dbraw/zinc/87/47/94/911874794.db2.gz VENIUCWTGRNQGG-AWEZNQCLSA-N -1 1 386.206 3.757 20 10 GHCDMM O=S(=O)(Cc1cccc(Br)c1)Nc1ccc([O-])c(Cl)c1 ZINC001188681256 916106191 /nfs/dbraw/zinc/10/61/91/916106191.db2.gz MYBVDVMLRUBTOW-UHFFFAOYSA-N -1 1 376.659 3.750 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC001189181153 916442734 /nfs/dbraw/zinc/44/27/34/916442734.db2.gz QFOWFXKEAKBAJY-UHFFFAOYSA-N -1 1 392.411 3.681 20 10 GHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1N1CCCS1(=O)=O ZINC000294153578 916615805 /nfs/dbraw/zinc/61/58/05/916615805.db2.gz IDDHCWAJYRSIOU-UHFFFAOYSA-N -1 1 384.860 3.645 20 10 GHCDMM CC[C@@](NCc1cc(Cl)cc(C(C)=O)c1[O-])(C(=O)OC)c1ccccc1 ZINC000750045598 927402801 /nfs/dbraw/zinc/40/28/01/927402801.db2.gz UJIOMVJSVANFCA-FQEVSTJZSA-N -1 1 375.852 3.816 20 10 GHCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2)CC1 ZINC000751126725 928041180 /nfs/dbraw/zinc/04/11/80/928041180.db2.gz CWCADFZRBYQFTJ-UHFFFAOYSA-N -1 1 397.500 3.565 20 10 GHCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000784339479 931862866 /nfs/dbraw/zinc/86/28/66/931862866.db2.gz RXBCQNXTVZNVBD-UHFFFAOYSA-N -1 1 398.802 3.556 20 10 GHCDMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000798300439 932599007 /nfs/dbraw/zinc/59/90/07/932599007.db2.gz CDRJNPIXFMHKSQ-HNNXBMFYSA-N -1 1 395.377 3.938 20 10 GHCDMM [O-]c1cccc(F)c1CN1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001137834519 935813625 /nfs/dbraw/zinc/81/36/25/935813625.db2.gz JPAYKZUSMYVDMW-UHFFFAOYSA-N -1 1 385.483 3.623 20 10 GHCDMM CCOc1ccc2c(c1)CN(Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])CC2 ZINC001597142797 986893009 /nfs/dbraw/zinc/89/30/09/986893009.db2.gz LKOIVSRQOGOVRA-UHFFFAOYSA-N -1 1 382.435 3.973 20 10 GHCDMM CC(C)Oc1cc(COc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)ccn1 ZINC001228108351 1032785756 /nfs/dbraw/zinc/78/57/56/1032785756.db2.gz GADOAXWMPRSLBQ-UHFFFAOYSA-N -1 1 395.411 3.796 20 10 GHCDMM CCC(=O)[C@@H](CC)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228196373 1032835351 /nfs/dbraw/zinc/83/53/51/1032835351.db2.gz YDRXWSDOJFXLTO-QZTJIDSGSA-N -1 1 386.400 3.646 20 10 GHCDMM [O-]c1cc(F)cc(F)c1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001140581022 1022001924 /nfs/dbraw/zinc/00/19/24/1022001924.db2.gz OXGVWIOSCJJQGS-LJQANCHMSA-N -1 1 395.400 3.803 20 10 GHCDMM C[C@H](NCc1nccn1CC(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756539541 1023705659 /nfs/dbraw/zinc/70/56/59/1023705659.db2.gz PXWXSRJGMUXOCE-QMMMGPOBSA-N -1 1 396.182 3.903 20 10 GHCDMM C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)c(F)cc1[O-] ZINC000756833469 1023828740 /nfs/dbraw/zinc/82/87/40/1023828740.db2.gz ZZPAMHFIDLCWIF-SECBINFHSA-N -1 1 394.244 3.657 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1[O-] ZINC000839642754 1026152493 /nfs/dbraw/zinc/15/24/93/1026152493.db2.gz HUDHGHNRLNJUOH-NRFANRHFSA-N -1 1 385.847 3.858 20 10 GHCDMM C[C@H]1CC[C@@H](CO)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC001203565274 1027436815 /nfs/dbraw/zinc/43/68/15/1027436815.db2.gz YRMIIYUICCNRHO-VHSXEESVSA-N -1 1 393.119 3.510 20 10 GHCDMM O=C([O-])[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000841797804 1028944009 /nfs/dbraw/zinc/94/40/09/1028944009.db2.gz BMWXAEJHDGADFZ-KRWDZBQOSA-N -1 1 375.450 3.562 20 10 GHCDMM COc1cc(C)c(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)c(O)c1 ZINC001205794579 1033577332 /nfs/dbraw/zinc/57/73/32/1033577332.db2.gz AWKDXMSWHSQCAS-UHFFFAOYSA-N -1 1 382.382 3.808 20 10 GHCDMM [O-]c1c(CNC(F)(F)c2cc[n+]([O-])c(Cl)c2)cc(Cl)c2cccnc12 ZINC001157727042 1033742807 /nfs/dbraw/zinc/74/28/07/1033742807.db2.gz GKRHGXNHNXNDMG-UHFFFAOYSA-N -1 1 386.185 3.720 20 10 GHCDMM COC(=O)[C@@](C)(NCc1cc(C)cc(Br)c1[O-])c1ccccc1 ZINC001207043634 1034066228 /nfs/dbraw/zinc/06/62/28/1034066228.db2.gz JIBUNTDKKDEYRY-SFHVURJKSA-N -1 1 378.266 3.641 20 10 GHCDMM Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231445793 1034593063 /nfs/dbraw/zinc/59/30/63/1034593063.db2.gz AVZSIMNVRHHBGR-SFHVURJKSA-N -1 1 382.460 3.700 20 10 GHCDMM CC(C)C(=O)N1CCC[C@]12CCN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001233030635 1038782333 /nfs/dbraw/zinc/78/23/33/1038782333.db2.gz JAGOQNCXCVLHDW-GOSISDBHSA-N -1 1 399.304 3.517 20 10 GHCDMM CCc1noc([C@H]2CCCN(Cc3c([O-])cc(Br)cc3F)C2)n1 ZINC001233030578 1038783148 /nfs/dbraw/zinc/78/31/48/1038783148.db2.gz ZBYZJNNCFMHBGH-JTQLQIEISA-N -1 1 384.249 3.619 20 10 GHCDMM O=C(c1ccccc1)[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033146 1038786562 /nfs/dbraw/zinc/78/65/62/1038786562.db2.gz IQZYLUPEDKFUQR-CYBMUJFWSA-N -1 1 378.241 3.999 20 10 GHCDMM Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccc(C(F)(F)F)c3[O-])O2)n1 ZINC001233416356 1039271791 /nfs/dbraw/zinc/27/17/91/1039271791.db2.gz FWHQZHZEHCOUOV-RBSFLKMASA-N -1 1 383.370 3.597 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C(=O)c1ccccn1)c1ccccn1 ZINC001233494238 1039386910 /nfs/dbraw/zinc/38/69/10/1039386910.db2.gz AUOONNZBTHWCNR-QFIPXVFZSA-N -1 1 392.411 3.874 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001234474505 1040059629 /nfs/dbraw/zinc/05/96/29/1040059629.db2.gz SRKKESVMJYCVCY-BTTYYORXSA-N -1 1 377.437 3.610 20 10 GHCDMM Cc1ccc(O[C@@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C2)nc1 ZINC001235076164 1040565561 /nfs/dbraw/zinc/56/55/61/1040565561.db2.gz SMUAFFHSOGBFFI-CQSZACIVSA-N -1 1 381.245 3.651 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCCC[C@](O)(C(F)(F)F)C1 ZINC001235299913 1040772206 /nfs/dbraw/zinc/77/22/06/1040772206.db2.gz WGVDPDQTWAPERA-CYBMUJFWSA-N -1 1 386.183 3.573 20 10 GHCDMM Cc1ccc(O[C@H]2CCN(Cc3cc(F)cc(Br)c3[O-])C2)nc1 ZINC001235306455 1040781147 /nfs/dbraw/zinc/78/11/47/1040781147.db2.gz FYFCDICUHWIYME-AWEZNQCLSA-N -1 1 381.245 3.651 20 10 GHCDMM O=C1Nc2ccccc2CN1C1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236802133 1041903998 /nfs/dbraw/zinc/90/39/98/1041903998.db2.gz GEBCWNDILSSQEV-UHFFFAOYSA-N -1 1 378.259 3.931 20 10 GHCDMM CC(C)COC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2ncn(C)c21 ZINC001237121348 1042049921 /nfs/dbraw/zinc/04/99/21/1042049921.db2.gz DAUUQIZKSXGLAQ-ZDUSSCGKSA-N -1 1 381.879 3.690 20 10 GHCDMM CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3c([O-])ccc(F)c3Cl)C2)c1 ZINC001237131635 1042055965 /nfs/dbraw/zinc/05/59/65/1042055965.db2.gz WBYWMYPOFVPXHQ-AWEZNQCLSA-N -1 1 397.899 3.968 20 10 GHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237624512 1042291238 /nfs/dbraw/zinc/29/12/38/1042291238.db2.gz VQTKYHCPTLSFQE-NSHDSACASA-N -1 1 391.752 3.647 20 10 GHCDMM COC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783305 1042367295 /nfs/dbraw/zinc/36/72/95/1042367295.db2.gz HGKIWCJCMGVAST-SECBINFHSA-N -1 1 396.203 3.559 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001305084126 1047887585 /nfs/dbraw/zinc/88/75/85/1047887585.db2.gz HBGPJEOZBUCIHB-UHFFFAOYSA-N -1 1 376.243 3.874 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccccc1C(=O)N1CCCCC1 ZINC001310019726 1051102206 /nfs/dbraw/zinc/10/22/06/1051102206.db2.gz ZNIBUEHVRUADNH-UHFFFAOYSA-N -1 1 387.867 3.993 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC001319716090 1055418568 /nfs/dbraw/zinc/41/85/68/1055418568.db2.gz TXGXMVOVRUKDSU-UHFFFAOYSA-N -1 1 382.441 3.683 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cccc([N+](=O)[O-])c1Br ZINC001323484344 1056975918 /nfs/dbraw/zinc/97/59/18/1056975918.db2.gz VYDZKCPFCRLBNS-UHFFFAOYSA-N -1 1 397.572 3.799 20 10 GHCDMM CCc1ccc(-c2nc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cs2)cc1 ZINC001324772107 1057223490 /nfs/dbraw/zinc/22/34/90/1057223490.db2.gz KOILWVSHXYCGTG-UHFFFAOYSA-N -1 1 383.425 3.823 20 10 GHCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)n1CC1CC1 ZINC001326393755 1057473868 /nfs/dbraw/zinc/47/38/68/1057473868.db2.gz KKHRXMVSHSWNFK-UHFFFAOYSA-N -1 1 377.282 3.913 20 10 GHCDMM CC(C)(C)NC(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001465002390 1065319055 /nfs/dbraw/zinc/31/90/55/1065319055.db2.gz PMBADRRCLVHQFT-UHFFFAOYSA-N -1 1 375.856 3.896 20 10 GHCDMM CCOc1cc(CCCNC(=O)NCc2cccc(Cl)c2[O-])ccc1OC ZINC001477952871 1078643762 /nfs/dbraw/zinc/64/37/62/1078643762.db2.gz PUVKXCGKYYCPQR-UHFFFAOYSA-N -1 1 392.883 3.885 20 10 GHCDMM O=C(NCC[C@@H]1CNc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000892368629 835556045 /nfs/dbraw/zinc/55/60/45/835556045.db2.gz MQKGFERBDFSVIS-GFCCVEGCSA-N -1 1 390.281 3.553 20 10 GHCDMM Cc1cc(C)cc(CCNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764781838 859602008 /nfs/dbraw/zinc/60/20/08/859602008.db2.gz DCDCINQEPLGGFE-UHFFFAOYSA-N -1 1 377.282 3.813 20 10 GHCDMM COc1cccc(Cl)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764804705 859617205 /nfs/dbraw/zinc/61/72/05/859617205.db2.gz ANURXSQURAQPEZ-UHFFFAOYSA-N -1 1 399.672 3.816 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(-c2ccccc2)nn1 ZINC000765315505 859902136 /nfs/dbraw/zinc/90/21/36/859902136.db2.gz KDHLPIGTYBVMLI-UHFFFAOYSA-N -1 1 399.248 3.933 20 10 GHCDMM CO[C@@H]1Cc2ccc(NC(=O)NCc3cccc(Br)c3[O-])cc2C1 ZINC000765342006 859920193 /nfs/dbraw/zinc/92/01/93/859920193.db2.gz BAXMPIBMIUUJRS-OAHLLOKOSA-N -1 1 391.265 3.590 20 10 GHCDMM CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765747480 860561811 /nfs/dbraw/zinc/56/18/11/860561811.db2.gz OJPTZVQPXFTOEO-UHFFFAOYSA-N -1 1 397.656 3.697 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc2c(c1)CCCC2 ZINC000766202015 863856240 /nfs/dbraw/zinc/85/62/40/863856240.db2.gz YQPYLIACQNWDMX-UHFFFAOYSA-N -1 1 396.306 3.512 20 10 GHCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1 ZINC000741136525 866262338 /nfs/dbraw/zinc/26/23/38/866262338.db2.gz XRQNEIGSTJCNBM-UHFFFAOYSA-N -1 1 388.489 3.654 20 10 GHCDMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000920879391 882432826 /nfs/dbraw/zinc/43/28/26/882432826.db2.gz KUSJIBDTJXZHTL-INIZCTEOSA-N -1 1 376.456 3.873 20 10 GHCDMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000920882241 882436743 /nfs/dbraw/zinc/43/67/43/882436743.db2.gz XVABEBTXPHQOOH-MRXNPFEDSA-N -1 1 376.456 3.873 20 10 GHCDMM COc1cccc([C@H]2CSCCN2C(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193232491 870962297 /nfs/dbraw/zinc/96/22/97/870962297.db2.gz LJYPGWITXQVCSO-CQSZACIVSA-N -1 1 379.865 3.690 20 10 GHCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c2ccccc12 ZINC001193856236 871355710 /nfs/dbraw/zinc/35/57/10/871355710.db2.gz BPNXBUFZICZUEG-UHFFFAOYSA-N -1 1 382.485 3.786 20 10 GHCDMM Cc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)n1 ZINC001195330053 872352855 /nfs/dbraw/zinc/35/28/55/872352855.db2.gz KYWFQFAKGLHJCU-UHFFFAOYSA-N -1 1 377.404 3.574 20 10 GHCDMM O=C1C[C@H](c2cccc(NCc3cc(Br)cc(F)c3[O-])c2)CN1 ZINC001201557430 875751522 /nfs/dbraw/zinc/75/15/22/875751522.db2.gz IDQFHIWELRSDGJ-NSHDSACASA-N -1 1 379.229 3.509 20 10 GHCDMM C[C@H](NCc1ncnn1-c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000786936595 877066471 /nfs/dbraw/zinc/06/64/71/877066471.db2.gz GCSLMQNOFLZYID-NSHDSACASA-N -1 1 391.244 3.725 20 10 GHCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1C(=O)N1CCOCC1 ZINC000787307943 877332193 /nfs/dbraw/zinc/33/21/93/877332193.db2.gz ZLVZNOIWWLBMTR-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000093909892 912519085 /nfs/dbraw/zinc/51/90/85/912519085.db2.gz GGJGVHFSFGLAER-UHFFFAOYSA-N -1 1 396.468 3.607 20 10 GHCDMM O=C(CCc1cnc2ccccc2c1)NCc1cccc(Br)c1[O-] ZINC000792484705 881140382 /nfs/dbraw/zinc/14/03/82/881140382.db2.gz UBYWVMIWCHDSSD-UHFFFAOYSA-N -1 1 385.261 3.952 20 10 GHCDMM CC[C@@H](NC(c1ccnn1C)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858585877 883214880 /nfs/dbraw/zinc/21/48/80/883214880.db2.gz PBUNKVKDCIAZGA-CQSZACIVSA-N -1 1 394.306 3.996 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(Br)c(F)c1 ZINC000323017196 886473630 /nfs/dbraw/zinc/47/36/30/886473630.db2.gz HSGFLWNKZJNHNE-UHFFFAOYSA-N -1 1 399.285 3.989 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531822 887196025 /nfs/dbraw/zinc/19/60/25/887196025.db2.gz FQXNXBDAGAJRIJ-UZLBHIALSA-N -1 1 382.504 3.936 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)ccc1O ZINC000797820344 887765666 /nfs/dbraw/zinc/76/56/66/887765666.db2.gz SKOQNIZVDRTLHQ-UHFFFAOYSA-N -1 1 392.658 3.618 20 10 GHCDMM CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)o2)cc1 ZINC000916608921 889182217 /nfs/dbraw/zinc/18/22/17/889182217.db2.gz WUTGGHDQHWKOFS-UHFFFAOYSA-N -1 1 380.352 3.600 20 10 GHCDMM O=C([O-])[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@H]1c1ccc(F)cc1 ZINC000872323218 891237460 /nfs/dbraw/zinc/23/74/60/891237460.db2.gz FEBRTXQJNUBIEU-UONOGXRCSA-N -1 1 394.240 3.594 20 10 GHCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@H]1c1ccc(F)cc1 ZINC000872323218 891237477 /nfs/dbraw/zinc/23/74/77/891237477.db2.gz FEBRTXQJNUBIEU-UONOGXRCSA-N -1 1 394.240 3.594 20 10 GHCDMM O=c1n(Cc2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)nc2ccccn12 ZINC000816525523 894925588 /nfs/dbraw/zinc/92/55/88/894925588.db2.gz WXKRIMCKGPRAFO-UHFFFAOYSA-N -1 1 398.825 3.655 20 10 GHCDMM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816598949 894961986 /nfs/dbraw/zinc/96/19/86/894961986.db2.gz WYLMPCUKJDBFFA-SFHVURJKSA-N -1 1 378.831 3.715 20 10 GHCDMM CC[C@@H](NCc1cc(Br)cc(F)c1[O-])c1nnc2n1CCCCC2 ZINC000882959654 897148218 /nfs/dbraw/zinc/14/82/18/897148218.db2.gz MJQLQYRCPIJQFS-CQSZACIVSA-N -1 1 397.292 3.853 20 10 GHCDMM C[C@@]1(CCNC(=O)NCc2cccc(Br)c2[O-])C[C@]1(F)Cl ZINC000845407008 902110452 /nfs/dbraw/zinc/11/04/52/902110452.db2.gz XCVRYTYAZFHHKA-ZIAGYGMSSA-N -1 1 379.657 3.659 20 10 GHCDMM C[C@]1(CCNC(=O)NCc2cccc(Br)c2[O-])C[C@@]1(F)Cl ZINC000845407003 902110618 /nfs/dbraw/zinc/11/06/18/902110618.db2.gz XCVRYTYAZFHHKA-KBPBESRZSA-N -1 1 379.657 3.659 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000846014844 902593867 /nfs/dbraw/zinc/59/38/67/902593867.db2.gz JWIPSHXESYXYCK-MNOVXSKESA-N -1 1 396.203 3.519 20 10 GHCDMM O=C(c1ccc(Br)cc1)c1ccccc1[N-]S(=O)(=O)C1CCC1 ZINC001188136992 915774995 /nfs/dbraw/zinc/77/49/95/915774995.db2.gz LHJQYBQTTXCXHK-UHFFFAOYSA-N -1 1 394.290 3.974 20 10 GHCDMM C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000903341688 922942883 /nfs/dbraw/zinc/94/28/83/922942883.db2.gz QPYJAUWLUQFEOJ-ZETCQYMHSA-N -1 1 396.182 3.897 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCCSCC1 ZINC000780892533 930629883 /nfs/dbraw/zinc/62/98/83/930629883.db2.gz IIRCBKFXQHGXNI-UHFFFAOYSA-N -1 1 381.133 3.856 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000781912346 931025423 /nfs/dbraw/zinc/02/54/23/931025423.db2.gz PGKFDYWUJFTQSP-QGZVFWFLSA-N -1 1 378.266 3.742 20 10 GHCDMM O=C(COC(=O)c1ccc(Br)cc1Cl)c1ccc([O-])c(O)c1 ZINC000783058972 931397970 /nfs/dbraw/zinc/39/79/70/931397970.db2.gz CEFSEEYQYDAZJJ-UHFFFAOYSA-N -1 1 385.597 3.553 20 10 GHCDMM COc1ccc(Br)cc1C1(NCc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000829452649 935811313 /nfs/dbraw/zinc/81/13/13/935811313.db2.gz SPHNCQNXJQIOQC-UHFFFAOYSA-N -1 1 393.237 3.850 20 10 GHCDMM [O-]c1cccc(F)c1CN1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001137834931 935813972 /nfs/dbraw/zinc/81/39/72/935813972.db2.gz ZBJJNEHVAUAQAO-QGZVFWFLSA-N -1 1 385.483 3.664 20 10 GHCDMM C[C@H](COCc1ccccc1)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592775041 979397770 /nfs/dbraw/zinc/39/77/70/979397770.db2.gz CPLUMWKYTAHEAW-HNNXBMFYSA-N -1 1 377.868 3.785 20 10 GHCDMM C[C@H](COCc1ccccc1)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592775041 979397775 /nfs/dbraw/zinc/39/77/75/979397775.db2.gz CPLUMWKYTAHEAW-HNNXBMFYSA-N -1 1 377.868 3.785 20 10 GHCDMM CC[C@](C[NH2+]Cc1c([O-])cccc1Br)(C(=O)[O-])c1ccccc1 ZINC001595167008 979717418 /nfs/dbraw/zinc/71/74/18/979717418.db2.gz CGVDKNVFYLVVID-GOSISDBHSA-N -1 1 378.266 3.677 20 10 GHCDMM CN(C)c1ccc(/C=C\C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314245 991294899 /nfs/dbraw/zinc/29/48/99/991294899.db2.gz JXEUECVLAQJLCK-HMECNJMJSA-N -1 1 378.394 3.941 20 10 GHCDMM CN(C)c1ccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001598318258 991312693 /nfs/dbraw/zinc/31/26/93/991312693.db2.gz SXZLNPHEKZOWBZ-GOSISDBHSA-N -1 1 378.394 3.955 20 10 GHCDMM CO[C@]1(C(F)(F)F)CCCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001599083345 997047548 /nfs/dbraw/zinc/04/75/48/997047548.db2.gz IAPQHCJCGPODPP-QGZVFWFLSA-N -1 1 388.361 3.559 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(-c2noc(-c3nnc(Br)[n-]3)n2)cc1 ZINC001213000924 1032918569 /nfs/dbraw/zinc/91/85/69/1032918569.db2.gz FVOMNSHUGDRDKM-UHFFFAOYSA-N -1 1 385.225 3.692 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(-c2noc(-c3n[n-]c(Br)n3)n2)cc1 ZINC001213000924 1032918573 /nfs/dbraw/zinc/91/85/73/1032918573.db2.gz FVOMNSHUGDRDKM-UHFFFAOYSA-N -1 1 385.225 3.692 20 10 GHCDMM C[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CC1(Cl)Cl ZINC000836592745 1023155067 /nfs/dbraw/zinc/15/50/67/1023155067.db2.gz MJDPKIBUSHVCMM-LBPRGKRZSA-N -1 1 382.085 3.538 20 10 GHCDMM C[C@@H](NCc1ccon1)c1cc(Br)cc(Br)c1[O-] ZINC000756638043 1023748569 /nfs/dbraw/zinc/74/85/69/1023748569.db2.gz RBLIYHJFYXWMHF-SSDOTTSWSA-N -1 1 376.048 3.756 20 10 GHCDMM C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1cc(Br)c(F)cc1[O-] ZINC000756800663 1023819342 /nfs/dbraw/zinc/81/93/42/1023819342.db2.gz CDYZFBGEFQFSRD-LLVKDONJSA-N -1 1 396.260 3.699 20 10 GHCDMM COc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1OCC(=O)NC1CC1 ZINC000756802405 1023819571 /nfs/dbraw/zinc/81/95/71/1023819571.db2.gz BYQPCPYEKPDTGT-LLVKDONJSA-N -1 1 392.402 3.510 20 10 GHCDMM C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)cc(F)c1[O-] ZINC000756854992 1023836583 /nfs/dbraw/zinc/83/65/83/1023836583.db2.gz IPRBGIJFQLRUGD-MRVPVSSYSA-N -1 1 381.201 3.912 20 10 GHCDMM Cc1nc([C@H]2CCCN(Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC001141367823 1024741542 /nfs/dbraw/zinc/74/15/42/1024741542.db2.gz RUJZTEWPERYHCY-JTQLQIEISA-N -1 1 386.677 3.879 20 10 GHCDMM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141374470 1024766876 /nfs/dbraw/zinc/76/68/76/1024766876.db2.gz JFIUVPSXXLXQRY-ZANVPECISA-N -1 1 378.694 3.828 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](Oc2cnccn2)C1 ZINC001141377656 1024775084 /nfs/dbraw/zinc/77/50/84/1024775084.db2.gz XAYAQRGDDLDCTE-ZDUSSCGKSA-N -1 1 398.688 3.642 20 10 GHCDMM COC[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC001203563118 1027436068 /nfs/dbraw/zinc/43/60/68/1027436068.db2.gz VTEFWWJQNQAAQE-NSHDSACASA-N -1 1 379.092 3.528 20 10 GHCDMM C[C@H]1[C@H](CO)CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979090 1028019981 /nfs/dbraw/zinc/01/99/81/1028019981.db2.gz RISVYJQFUJIOGB-UWVGGRQHSA-N -1 1 393.119 3.510 20 10 GHCDMM CC1(C)CC(Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CC(C)(C)O1 ZINC001229199750 1033337005 /nfs/dbraw/zinc/33/70/05/1033337005.db2.gz YJTOIVTXDJRJEY-UHFFFAOYSA-N -1 1 396.439 3.988 20 10 GHCDMM Cc1ccccc1[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787712 1033714320 /nfs/dbraw/zinc/71/43/20/1033714320.db2.gz VREZJFHKCIFFBS-GFCCVEGCSA-N -1 1 396.395 3.894 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001231911166 1034985747 /nfs/dbraw/zinc/98/57/47/1034985747.db2.gz DUCTYANVRBZTGS-IDHHARJASA-N -1 1 394.924 3.698 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001231911657 1034986789 /nfs/dbraw/zinc/98/67/89/1034986789.db2.gz OKDGPHSYIAQHEE-YFVAEKQCSA-N -1 1 388.895 3.637 20 10 GHCDMM CC(=O)N1CCCC[C@]12CCCN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001233029384 1038780013 /nfs/dbraw/zinc/78/00/13/1038780013.db2.gz CCDBORLGMBBYTC-GOSISDBHSA-N -1 1 399.304 3.661 20 10 GHCDMM Cn1cc2c(n1)CN(Cc1cccc(C(F)(F)F)c1[O-])C[C@H]2COCC1CC1 ZINC001233417350 1039275869 /nfs/dbraw/zinc/27/58/69/1039275869.db2.gz RHUBPKVHTJVQMO-HNNXBMFYSA-N -1 1 395.425 3.671 20 10 GHCDMM CCOC(=O)C(F)(F)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccc(F)cc1 ZINC001234475330 1040058489 /nfs/dbraw/zinc/05/84/89/1040058489.db2.gz FSARRJHOEBVSAS-KRWDZBQOSA-N -1 1 398.333 3.758 20 10 GHCDMM COc1ccc(CN2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c([O-])c1Cl ZINC001236802083 1041904122 /nfs/dbraw/zinc/90/41/22/1041904122.db2.gz OCNFVRVIRZGPHN-ZDUSSCGKSA-N -1 1 384.904 3.886 20 10 GHCDMM COc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)c([O-])c1Cl ZINC001236807123 1041907852 /nfs/dbraw/zinc/90/78/52/1041907852.db2.gz MXBXUPJBNPWZCP-UHFFFAOYSA-N -1 1 383.879 3.925 20 10 GHCDMM C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237784097 1042367789 /nfs/dbraw/zinc/36/77/89/1042367789.db2.gz PYAXZADBSDGSBE-VHSXEESVSA-N -1 1 381.236 3.698 20 10 GHCDMM C[C@H]1C(=O)CCN(Cc2cccc(I)c2[O-])C12CCCC2 ZINC001237789721 1042370678 /nfs/dbraw/zinc/37/06/78/1042370678.db2.gz UFLDITAGZBWQJJ-LBPRGKRZSA-N -1 1 399.272 3.721 20 10 GHCDMM O=C(NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1)c1cccc(F)c1 ZINC001237801252 1042377160 /nfs/dbraw/zinc/37/71/60/1042377160.db2.gz FYTURYRXSWLVNA-UHFFFAOYSA-N -1 1 380.822 3.718 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001237936978 1042427946 /nfs/dbraw/zinc/42/79/46/1042427946.db2.gz LVBCTIJCHAESSD-BOFPYLFWSA-N -1 1 392.858 3.638 20 10 GHCDMM COc1ccc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)c(OC)c1 ZINC001237940831 1042430841 /nfs/dbraw/zinc/43/08/41/1042430841.db2.gz OBBOCKJHXZZJJK-UHFFFAOYSA-N -1 1 380.847 3.524 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ncccc1NCC1CCC1 ZINC001297439780 1045523236 /nfs/dbraw/zinc/52/32/36/1045523236.db2.gz JIUJFCKHXHSGBR-UHFFFAOYSA-N -1 1 390.281 3.692 20 10 GHCDMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3ccc(Cl)c4nonc43)cc2o1 ZINC001261073182 1045888305 /nfs/dbraw/zinc/88/83/05/1045888305.db2.gz QEMAQACJGNVICN-UHFFFAOYSA-N -1 1 399.215 3.780 20 10 GHCDMM Cc1ncsc1CN1CCC12CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001279505585 1047827727 /nfs/dbraw/zinc/82/77/27/1047827727.db2.gz QPMRZSGCJCCBNE-UHFFFAOYSA-N -1 1 383.439 3.636 20 10 GHCDMM C[C@@H]1CN(c2ccc(NC(=O)NCc3cccc(Cl)c3[O-])cc2)CCO1 ZINC001354647517 1056856959 /nfs/dbraw/zinc/85/69/59/1056856959.db2.gz SBAQLSRUKQFDAE-CYBMUJFWSA-N -1 1 375.856 3.592 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001323417771 1056967345 /nfs/dbraw/zinc/96/73/45/1056967345.db2.gz JCPCQYGONSPEJP-UHFFFAOYSA-N -1 1 384.682 3.638 20 10 GHCDMM Cc1cc(Cl)cc(Cl)c1NC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001200827350 1056997269 /nfs/dbraw/zinc/99/72/69/1056997269.db2.gz FRBFCIZMZRHHOO-UHFFFAOYSA-N -1 1 385.272 3.882 20 10 GHCDMM COc1cc(F)c(C(=O)NCc2cccc(Br)c2[O-])c(Cl)c1 ZINC001448961148 1060304956 /nfs/dbraw/zinc/30/49/56/1060304956.db2.gz NGHOJEBQQJIOKC-UHFFFAOYSA-N -1 1 388.620 3.886 20 10 GHCDMM Cc1oc(Br)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC001448954596 1060305731 /nfs/dbraw/zinc/30/57/31/1060305731.db2.gz AOCFPDBTPZNDMY-UHFFFAOYSA-N -1 1 389.043 3.749 20 10 GHCDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n1 ZINC001450908680 1060714733 /nfs/dbraw/zinc/71/47/33/1060714733.db2.gz GWGJQTKAQGJCHU-UHFFFAOYSA-N -1 1 386.839 3.900 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC001457033637 1062955013 /nfs/dbraw/zinc/95/50/13/1062955013.db2.gz DOOVSGUJUVGZIK-UHFFFAOYSA-N -1 1 385.826 3.789 20 10 GHCDMM COc1ccc(Br)c(CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001457034405 1062955803 /nfs/dbraw/zinc/95/58/03/1062955803.db2.gz FSZIJDXQNPKIRC-UHFFFAOYSA-N -1 1 384.657 3.676 20 10 GHCDMM [O-]c1c(Cl)cccc1CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC001458690973 1063921392 /nfs/dbraw/zinc/92/13/92/1063921392.db2.gz AQWRVMALNRQSFF-UHFFFAOYSA-N -1 1 380.757 3.950 20 10 GHCDMM CC(=O)c1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1C ZINC001466962123 1066415917 /nfs/dbraw/zinc/41/59/17/1066415917.db2.gz YAVXLZBJVBLYAL-UHFFFAOYSA-N -1 1 377.238 3.987 20 10 GHCDMM CCOC(=O)[C@@H]1C2CCC(CC2)N1Cc1cc(C)cc(Br)c1[O-] ZINC001474542005 1074456330 /nfs/dbraw/zinc/45/63/30/1074456330.db2.gz OTVHIIQTEBCEAW-PXCJXSSVSA-N -1 1 382.298 3.769 20 10 GHCDMM CCCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OC(C)C)c1 ZINC000784923219 834800602 /nfs/dbraw/zinc/80/06/02/834800602.db2.gz AZFQMSGLODNPTQ-UHFFFAOYSA-N -1 1 388.416 3.714 20 10 GHCDMM Cc1ccccc1-n1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C(C)C ZINC000784941265 835319123 /nfs/dbraw/zinc/31/91/23/835319123.db2.gz DXSJSDATIDHWOH-UHFFFAOYSA-N -1 1 394.427 3.755 20 10 GHCDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000066639165 836576286 /nfs/dbraw/zinc/57/62/86/836576286.db2.gz KAPSHKFBYUAUKZ-UHFFFAOYSA-N -1 1 387.484 3.998 20 10 GHCDMM COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757956 836685342 /nfs/dbraw/zinc/68/53/42/836685342.db2.gz OCATWUZSLDDMAQ-UHFFFAOYSA-N -1 1 391.851 3.732 20 10 GHCDMM CC(C)NC(=O)CSc1ccccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758746 836691226 /nfs/dbraw/zinc/69/12/26/836691226.db2.gz VEBCKLYDKVGGDX-UHFFFAOYSA-N -1 1 392.908 3.592 20 10 GHCDMM CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277319758 845702372 /nfs/dbraw/zinc/70/23/72/845702372.db2.gz DJROHTXBXHVZEP-JSGCOSHPSA-N -1 1 385.302 3.548 20 10 GHCDMM COc1ccccc1[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccco1 ZINC000375729911 848060191 /nfs/dbraw/zinc/06/01/91/848060191.db2.gz IQOWAEBTTMZGMK-SFHVURJKSA-N -1 1 384.388 3.790 20 10 GHCDMM CC1(C)OCc2c1nc(Cl)nc2NCc1cccc(Br)c1[O-] ZINC000828031313 854027370 /nfs/dbraw/zinc/02/73/70/854027370.db2.gz LTABINZAJWVWGL-UHFFFAOYSA-N -1 1 384.661 3.976 20 10 GHCDMM O=C(CNc1ncc(C(F)(F)F)cc1-c1cccnc1)c1ccc([O-])c(O)c1 ZINC001170316421 881347784 /nfs/dbraw/zinc/34/77/84/881347784.db2.gz QHULFKNDFVSRPX-UHFFFAOYSA-N -1 1 389.333 3.868 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000764766252 859593976 /nfs/dbraw/zinc/59/39/76/859593976.db2.gz GUALQIGJDUPKIZ-UKRRQHHQSA-N -1 1 379.229 3.649 20 10 GHCDMM CC(C)[C@H](CNC(=O)NCc1cccc(Br)c1[O-])c1cccnc1 ZINC000764790241 859610047 /nfs/dbraw/zinc/61/00/47/859610047.db2.gz IPTFBTQTBVETKW-HNNXBMFYSA-N -1 1 392.297 3.789 20 10 GHCDMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C12CCCC2 ZINC000764790935 859611178 /nfs/dbraw/zinc/61/11/78/859611178.db2.gz KXLJWZUEPWTEMX-HUUCEWRRSA-N -1 1 397.313 3.692 20 10 GHCDMM CCSc1cc(CNC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000764806564 859617108 /nfs/dbraw/zinc/61/71/08/859617108.db2.gz RFHJTEXDSSDCJH-UHFFFAOYSA-N -1 1 396.310 3.661 20 10 GHCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])nn1[C@@H](C)C1CC1 ZINC000765346942 859922657 /nfs/dbraw/zinc/92/26/57/859922657.db2.gz WGRWYQANKSSFMI-NSHDSACASA-N -1 1 393.285 3.952 20 10 GHCDMM [O-]c1c(Br)cccc1CNC(=S)N[C@@H]1CCOc2ccccc21 ZINC000765993001 860322750 /nfs/dbraw/zinc/32/27/50/860322750.db2.gz QZENNYQTUJITIS-CQSZACIVSA-N -1 1 393.306 3.643 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2ccc(F)cc2c1 ZINC000765727276 860483178 /nfs/dbraw/zinc/48/31/78/860483178.db2.gz LFXPOMNBPPUMHK-UHFFFAOYSA-N -1 1 375.197 3.772 20 10 GHCDMM Cc1c(Cl)cccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765728419 860493758 /nfs/dbraw/zinc/49/37/58/860493758.db2.gz RKDSVSQJYPAJIT-UHFFFAOYSA-N -1 1 384.657 3.812 20 10 GHCDMM COc1cccc([C@H]2C[C@@H]2C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765735269 860520259 /nfs/dbraw/zinc/52/02/59/860520259.db2.gz FYCNWNBREVEROB-CABCVRRESA-N -1 1 376.250 3.583 20 10 GHCDMM COc1ccccc1/C(C)=C/C(=O)NCc1cccc(Br)c1[O-] ZINC000765750185 860563622 /nfs/dbraw/zinc/56/36/22/860563622.db2.gz AHVFHZXUKOHTIJ-ZRDIBKRKSA-N -1 1 376.250 3.883 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccc2c1CCCC2 ZINC000766200456 863856592 /nfs/dbraw/zinc/85/65/92/863856592.db2.gz LPQICWSSMPMVKN-UHFFFAOYSA-N -1 1 396.306 3.512 20 10 GHCDMM O=C(NCC[C@H]1CC1(Cl)Cl)NCc1cccc(Br)c1[O-] ZINC000856890235 881837350 /nfs/dbraw/zinc/83/73/50/881837350.db2.gz ADSWBCSXCLHYKN-VIFPVBQESA-N -1 1 382.085 3.538 20 10 GHCDMM CCc1cc2c(CN(C)c3cc(OC)c(OC)c(OC)c3)cc(=O)oc2cc1[O-] ZINC000741798374 866820391 /nfs/dbraw/zinc/82/03/91/866820391.db2.gz ACVHBOFVXLCCPQ-UHFFFAOYSA-N -1 1 399.443 3.723 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000743300570 868053710 /nfs/dbraw/zinc/05/37/10/868053710.db2.gz UIJBLKDXBMHDLH-UHFFFAOYSA-N -1 1 394.452 3.587 20 10 GHCDMM Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C)n1-c1ccccc1 ZINC001193466176 871113620 /nfs/dbraw/zinc/11/36/20/871113620.db2.gz WKMPLWJRYBUKQN-UHFFFAOYSA-N -1 1 394.418 3.990 20 10 GHCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1N1CCCS1(=O)=O ZINC001201124321 875537302 /nfs/dbraw/zinc/53/73/02/875537302.db2.gz OCAKSWPPTDJABM-UHFFFAOYSA-N -1 1 384.860 3.645 20 10 GHCDMM COc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1OCCC(C)C ZINC000790070062 879413672 /nfs/dbraw/zinc/41/36/72/879413672.db2.gz ZZBHMRQIDHBYIH-UHFFFAOYSA-N -1 1 377.412 3.600 20 10 GHCDMM Cc1cc(Br)c(O)c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000790636568 879875900 /nfs/dbraw/zinc/87/59/00/879875900.db2.gz QQJUWOHPUKGPTF-UHFFFAOYSA-N -1 1 386.293 3.998 20 10 GHCDMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115934 886027206 /nfs/dbraw/zinc/02/72/06/886027206.db2.gz ZWDONQGGQJABDK-UHFFFAOYSA-N -1 1 387.816 3.807 20 10 GHCDMM C[C@@H](c1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1)C1CC1 ZINC000762365864 886084155 /nfs/dbraw/zinc/08/41/55/886084155.db2.gz XARMYUNAMDGKQT-SNVBAGLBSA-N -1 1 391.474 3.818 20 10 GHCDMM O=S(=O)(c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1)N1CCCCC1 ZINC000863987832 887503709 /nfs/dbraw/zinc/50/37/09/887503709.db2.gz YDUHSKQWOJAGTP-UHFFFAOYSA-N -1 1 398.887 3.971 20 10 GHCDMM CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2cccc(Cl)c2[O-])c1 ZINC000809679938 887699515 /nfs/dbraw/zinc/69/95/15/887699515.db2.gz NZPHOAOKQCDUAF-UHFFFAOYSA-N -1 1 398.912 3.697 20 10 GHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(OC(F)(F)F)c(Br)c1 ZINC000794865402 888533984 /nfs/dbraw/zinc/53/39/84/888533984.db2.gz IHOQGWSKAFGUCZ-YWEYNIOJSA-N -1 1 384.198 3.837 20 10 GHCDMM O=C(COC(=O)c1ccccc1CCc1ccccc1)c1ccc([O-])c(O)c1 ZINC000916591530 889153874 /nfs/dbraw/zinc/15/38/74/889153874.db2.gz SBULCUIYVSFOQQ-UHFFFAOYSA-N -1 1 376.408 3.923 20 10 GHCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1O ZINC000811705050 889879808 /nfs/dbraw/zinc/87/98/08/889879808.db2.gz NZFZXVJWOXETBU-UHFFFAOYSA-N -1 1 375.368 3.535 20 10 GHCDMM COc1cccc2c1[C@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000816496253 894862728 /nfs/dbraw/zinc/86/27/28/894862728.db2.gz CBECKIBDAYUDNC-CYBMUJFWSA-N -1 1 376.250 3.510 20 10 GHCDMM CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816606971 894968336 /nfs/dbraw/zinc/96/83/36/894968336.db2.gz AJFWRUAPGZBLMY-LLVKDONJSA-N -1 1 386.876 3.874 20 10 GHCDMM C[C@H](Nc1ccc(COCCO)cc1)c1cc(Br)cc(F)c1[O-] ZINC000818361526 896147385 /nfs/dbraw/zinc/14/73/85/896147385.db2.gz KLGARJRIMAMTQF-NSHDSACASA-N -1 1 384.245 3.976 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800016886 898505874 /nfs/dbraw/zinc/50/58/74/898505874.db2.gz YJGXNMOKPKXLIU-AWEZNQCLSA-N -1 1 395.684 3.775 20 10 GHCDMM CS[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824683964 899764083 /nfs/dbraw/zinc/76/40/83/899764083.db2.gz ZDPONRWEQMSPIU-JTQLQIEISA-N -1 1 381.133 3.855 20 10 GHCDMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001143738681 900430706 /nfs/dbraw/zinc/43/07/06/900430706.db2.gz WZBLYJQRZQQOQD-UHFFFAOYSA-N -1 1 392.883 3.680 20 10 GHCDMM CC(C)C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC001180420623 910157106 /nfs/dbraw/zinc/15/71/06/910157106.db2.gz MXGUMIUHCTUCDT-AWEZNQCLSA-N -1 1 384.904 3.991 20 10 GHCDMM O=C(NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)C1CCCCC1 ZINC000092644688 911674440 /nfs/dbraw/zinc/67/44/40/911674440.db2.gz BQANIODXSCGTNY-UHFFFAOYSA-N -1 1 395.887 3.615 20 10 GHCDMM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2O)cc1 ZINC001187801830 915521958 /nfs/dbraw/zinc/52/19/58/915521958.db2.gz IUMPNDCFZXATOV-UHFFFAOYSA-N -1 1 387.413 3.700 20 10 GHCDMM CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000796432213 917107032 /nfs/dbraw/zinc/10/70/32/917107032.db2.gz SVSORUDLZUXMOA-LLVKDONJSA-N -1 1 386.876 3.874 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC(C3CCOCC3)CC2)c1[O-] ZINC000752806723 929032524 /nfs/dbraw/zinc/03/25/24/929032524.db2.gz ZBPOZGHJLVEPQW-UHFFFAOYSA-N -1 1 395.499 3.967 20 10 GHCDMM CCOc1ccc(-c2nc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cs2)cc1 ZINC000782748441 931322015 /nfs/dbraw/zinc/32/20/15/931322015.db2.gz KYLPXSRNZXFOGD-UHFFFAOYSA-N -1 1 399.424 3.660 20 10 GHCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1OC(F)F ZINC000784066978 931773214 /nfs/dbraw/zinc/77/32/14/931773214.db2.gz OWYRHINGBPAUEB-FLIBITNWSA-N -1 1 378.327 3.529 20 10 GHCDMM Cc1ccc([C@H](NCc2cc(Cl)cc(F)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000798088672 932525614 /nfs/dbraw/zinc/52/56/14/932525614.db2.gz RODWQHRQHZZLGY-YVEFUNNKSA-N -1 1 385.888 3.757 20 10 GHCDMM CCN(CC)C(=O)c1ccccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000929937075 933718056 /nfs/dbraw/zinc/71/80/56/933718056.db2.gz IXDXSBULRIPUTD-UHFFFAOYSA-N -1 1 375.856 3.849 20 10 GHCDMM CCN(CC)c1ccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001603739511 974185631 /nfs/dbraw/zinc/18/56/31/974185631.db2.gz SHZOOGQBZXEAGV-SFHVURJKSA-N -1 1 385.508 3.717 20 10 GHCDMM O=C([O-])C1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000840995330 979295609 /nfs/dbraw/zinc/29/56/09/979295609.db2.gz GEAAARBKNODKOG-UHFFFAOYSA-N -1 1 381.314 3.736 20 10 GHCDMM CCOCOc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC001596945390 986084946 /nfs/dbraw/zinc/08/49/46/986084946.db2.gz JGEXYFADOAXUAJ-UHFFFAOYSA-N -1 1 379.840 3.505 20 10 GHCDMM CCOCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC001596945390 986084961 /nfs/dbraw/zinc/08/49/61/986084961.db2.gz JGEXYFADOAXUAJ-UHFFFAOYSA-N -1 1 379.840 3.505 20 10 GHCDMM O=C(CCC[C@@H](O)c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000834476123 1021213209 /nfs/dbraw/zinc/21/32/09/1021213209.db2.gz NZTSNXZBEWWBFD-MRXNPFEDSA-N -1 1 378.266 3.675 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001141375095 1024768852 /nfs/dbraw/zinc/76/88/52/1024768852.db2.gz WPOOAHADBRUSNZ-ZDUSSCGKSA-N -1 1 382.632 3.808 20 10 GHCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4ccccc4c3[O-])C2)cc1 ZINC001162718762 1025890114 /nfs/dbraw/zinc/89/01/14/1025890114.db2.gz QAGSAZUBEWIRSY-INIZCTEOSA-N -1 1 376.456 3.810 20 10 GHCDMM Cc1ccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cc1Cl ZINC001217056983 1030130254 /nfs/dbraw/zinc/13/02/54/1030130254.db2.gz YSOONQJJSPEMBL-UHFFFAOYSA-N -1 1 385.851 3.903 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCCc4cccnc43)cc([O-])c(O)c21 ZINC001229197448 1033335584 /nfs/dbraw/zinc/33/55/84/1033335584.db2.gz OZYGEHWKEHFQJS-MRXNPFEDSA-N -1 1 387.391 3.725 20 10 GHCDMM O=C1C[C@@]2(CN1CC(F)(F)F)CCCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277505580 1034510263 /nfs/dbraw/zinc/51/02/63/1034510263.db2.gz AOYBLPMUNHDWLS-MRXNPFEDSA-N -1 1 394.796 3.704 20 10 GHCDMM O=C(CNc1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001159277164 1034519019 /nfs/dbraw/zinc/51/90/19/1034519019.db2.gz PQGIAHCTJACIHD-UHFFFAOYSA-N -1 1 398.422 3.912 20 10 GHCDMM CC(C)C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001231455872 1034598613 /nfs/dbraw/zinc/59/86/13/1034598613.db2.gz VVZSWTIZCMNFSW-KRWDZBQOSA-N -1 1 392.496 3.558 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cn(CC3CC3)nc21 ZINC001231910853 1034986159 /nfs/dbraw/zinc/98/61/59/1034986159.db2.gz XNKGULBQPDABDI-KRWDZBQOSA-N -1 1 375.900 3.788 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001231912127 1034987218 /nfs/dbraw/zinc/98/72/18/1034987218.db2.gz WQFLBVSSGBOQQX-UHFFFAOYSA-N -1 1 384.867 3.622 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001233306016 1039096723 /nfs/dbraw/zinc/09/67/23/1039096723.db2.gz BZJHKNNCAGYMFF-GFCCVEGCSA-N -1 1 396.203 3.511 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001233307664 1039098264 /nfs/dbraw/zinc/09/82/64/1039098264.db2.gz MMEBZRKMAVPVST-LLVKDONJSA-N -1 1 396.203 3.716 20 10 GHCDMM COC[C@@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2cn(CC3CCCC3)nc21 ZINC001233333044 1039131039 /nfs/dbraw/zinc/13/10/39/1039131039.db2.gz HSTGLAOQJXTLBE-INIZCTEOSA-N -1 1 391.462 3.803 20 10 GHCDMM Cn1cnc2c1[C@H](COCC1CCCC1)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233332918 1039131679 /nfs/dbraw/zinc/13/16/79/1039131679.db2.gz BZAZZIBQCAFUGR-HNNXBMFYSA-N -1 1 391.462 3.710 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC001233496841 1039391990 /nfs/dbraw/zinc/39/19/90/1039391990.db2.gz KBAGJHQTMNDUKQ-CQSZACIVSA-N -1 1 389.379 3.624 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001233497245 1039392084 /nfs/dbraw/zinc/39/20/84/1039392084.db2.gz OBZJAIHJQIFTQB-CXAGYDPISA-N -1 1 397.443 3.807 20 10 GHCDMM COc1ccccc1O[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300865 1040772464 /nfs/dbraw/zinc/77/24/64/1040772464.db2.gz CAXZXAYIXDBRMT-AWEZNQCLSA-N -1 1 396.256 3.956 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC(Oc2cccnc2)CC1 ZINC001235301208 1040775642 /nfs/dbraw/zinc/77/56/42/1040775642.db2.gz DTBKQJWXCOOFRK-UHFFFAOYSA-N -1 1 381.245 3.732 20 10 GHCDMM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1c([O-])cc(OC)cc1Cl ZINC001236797761 1041901540 /nfs/dbraw/zinc/90/15/40/1041901540.db2.gz ASNDKUHDEVMELM-UHFFFAOYSA-N -1 1 393.867 3.628 20 10 GHCDMM COc1cc([O-])c(CN2CCn3c(COCC4CC4)cnc3[C@H]2C)c(Cl)c1 ZINC001236799035 1041902124 /nfs/dbraw/zinc/90/21/24/1041902124.db2.gz XGWRWTDEARUBAN-CYBMUJFWSA-N -1 1 391.899 3.754 20 10 GHCDMM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236805168 1041906568 /nfs/dbraw/zinc/90/65/68/1041906568.db2.gz VWVXSHQYQCFELS-WCQYABFASA-N -1 1 398.290 3.652 20 10 GHCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2ncn(CC3CC3)c21 ZINC001237123194 1042050788 /nfs/dbraw/zinc/05/07/88/1042050788.db2.gz IFMYUCBYZXPMAM-AWEZNQCLSA-N -1 1 393.890 3.927 20 10 GHCDMM CCOCc1nn(CC2CC2)c2c1CN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237124927 1042052918 /nfs/dbraw/zinc/05/29/18/1042052918.db2.gz SRQJDNFRQNHZKG-UHFFFAOYSA-N -1 1 393.890 3.886 20 10 GHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237624508 1042290940 /nfs/dbraw/zinc/29/09/40/1042290940.db2.gz VQTKYHCPTLSFQE-LLVKDONJSA-N -1 1 391.752 3.647 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001237775120 1042361832 /nfs/dbraw/zinc/36/18/32/1042361832.db2.gz CZSCKMMJTBVLBQ-NSHDSACASA-N -1 1 385.167 3.566 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@]1(F)CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941652 1042431414 /nfs/dbraw/zinc/43/14/14/1042431414.db2.gz ZYTYULJXVSYULF-QGZVFWFLSA-N -1 1 376.831 3.623 20 10 GHCDMM CCC(CC)(NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)c1nn[n-]n1 ZINC001297488189 1045538254 /nfs/dbraw/zinc/53/82/54/1045538254.db2.gz UGYBMJLPHDXCHP-UHFFFAOYSA-N -1 1 386.887 3.706 20 10 GHCDMM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccc(Cl)c2nonc21 ZINC001261072988 1045887971 /nfs/dbraw/zinc/88/79/71/1045887971.db2.gz LYWJKHYHOYFWFN-UHFFFAOYSA-N -1 1 378.624 3.984 20 10 GHCDMM O=S(=O)([N-]c1c(Cl)ccc2ncccc21)c1ccc(Cl)c2nonc21 ZINC001261073511 1045890299 /nfs/dbraw/zinc/89/02/99/1045890299.db2.gz XYJJOCKPEWCSTH-UHFFFAOYSA-N -1 1 395.227 3.879 20 10 GHCDMM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001279676401 1047910527 /nfs/dbraw/zinc/91/05/27/1047910527.db2.gz DBVKHCDBILKPSB-TXEJJXNPSA-N -1 1 384.332 3.923 20 10 GHCDMM CCO[C@H](C)c1nc(CN2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cs1 ZINC001308562226 1050009612 /nfs/dbraw/zinc/00/96/12/1050009612.db2.gz VMMAKZKUTRRPQV-CYBMUJFWSA-N -1 1 397.491 3.542 20 10 GHCDMM O=C(NCC[C@@H]1CCC(F)(F)C1)NCc1cccc(Br)c1[O-] ZINC001313396347 1053041639 /nfs/dbraw/zinc/04/16/39/1053041639.db2.gz ZOOLIPCJCBMSLL-JTQLQIEISA-N -1 1 377.229 3.779 20 10 GHCDMM O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1cccc(Cl)c1[O-] ZINC001464792098 1065214029 /nfs/dbraw/zinc/21/40/29/1065214029.db2.gz OPQLDNLFPKEDKY-UHFFFAOYSA-N -1 1 379.787 3.684 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(Cl)c1[N+](=O)[O-] ZINC000765757037 1068120708 /nfs/dbraw/zinc/12/07/08/1068120708.db2.gz PUPAPQNYKGRBDM-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM CC(C)c1nc(C(=O)NCc2cccc(Cl)c2[O-])nn1-c1ccccc1F ZINC001472316948 1073417815 /nfs/dbraw/zinc/41/78/15/1073417815.db2.gz OEZPCIYARNFVDO-UHFFFAOYSA-N -1 1 388.830 3.819 20 10 GHCDMM Cc1cc(C(=O)N2CCSCC2)ccc1NCc1cc(F)cc(F)c1[O-] ZINC001474171410 1074283005 /nfs/dbraw/zinc/28/30/05/1074283005.db2.gz QJTNSFHZVWZJQB-UHFFFAOYSA-N -1 1 378.444 3.780 20 10 GHCDMM O=C1CCC(=O)N1c1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001474753246 1074546441 /nfs/dbraw/zinc/54/64/41/1074546441.db2.gz UXUJICPCOZSGEF-UHFFFAOYSA-N -1 1 393.212 3.559 20 10 GHCDMM Cc1cc([O-])c(C[NH2+][C@H](Cc2ccccc2Br)C(=O)[O-])cc1Cl ZINC001607700157 1126234282 /nfs/dbraw/zinc/23/42/82/1126234282.db2.gz VAIXXEUJQBGPRN-OAHLLOKOSA-N -1 1 398.684 3.902 20 10 GHCDMM [O-]c1c(Br)cccc1CNc1ccccc1CN1CCOCC1 ZINC000120938028 837480133 /nfs/dbraw/zinc/48/01/33/837480133.db2.gz AZPGKXBJNXDRPT-UHFFFAOYSA-N -1 1 377.282 3.599 20 10 GHCDMM COc1c([O-])c(CN(CCC(F)(F)F)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000280599816 846457642 /nfs/dbraw/zinc/45/76/42/846457642.db2.gz YDHHWFGJWCFMLY-UHFFFAOYSA-N -1 1 376.253 3.626 20 10 GHCDMM COC1CCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000271784437 846918587 /nfs/dbraw/zinc/91/85/87/846918587.db2.gz HLTZQYXGHMLXDT-UHFFFAOYSA-N -1 1 379.092 3.528 20 10 GHCDMM O=C(Cc1csc(-c2ccoc2)n1)NCc1cccc(Br)c1[O-] ZINC000765763405 856803850 /nfs/dbraw/zinc/80/38/50/856803850.db2.gz AVRRKOPXXSHAGN-UHFFFAOYSA-N -1 1 393.262 3.730 20 10 GHCDMM CSc1ccc(O[C@@H](C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765764553 856938827 /nfs/dbraw/zinc/93/88/27/856938827.db2.gz MBQRZHQBHVICHB-NSHDSACASA-N -1 1 396.306 3.960 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCc2ccc(F)cc21 ZINC000764778933 859608625 /nfs/dbraw/zinc/60/86/25/859608625.db2.gz LDWOBYCTZXYUKL-OAHLLOKOSA-N -1 1 379.229 3.781 20 10 GHCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])Oc1ccc(F)cc1 ZINC000764791609 859610124 /nfs/dbraw/zinc/61/01/24/859610124.db2.gz OCJFYHJUNPBNAN-NSHDSACASA-N -1 1 397.244 3.561 20 10 GHCDMM CCOc1cc(C)ccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764795939 859611728 /nfs/dbraw/zinc/61/17/28/859611728.db2.gz CPTVBUMBENYMFT-UHFFFAOYSA-N -1 1 393.281 3.861 20 10 GHCDMM CCO[C@H](CCNC(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000764789455 859619720 /nfs/dbraw/zinc/61/97/20/859619720.db2.gz FIIMAKAMEPAAGZ-MRXNPFEDSA-N -1 1 399.329 3.939 20 10 GHCDMM O=C(NCCSCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765454428 859976689 /nfs/dbraw/zinc/97/66/89/859976689.db2.gz WPDDPLWESAJVTP-UHFFFAOYSA-N -1 1 395.322 3.887 20 10 GHCDMM COc1cccc([C@@H]2C[C@H]2C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765735274 860520184 /nfs/dbraw/zinc/52/01/84/860520184.db2.gz FYCNWNBREVEROB-LSDHHAIUSA-N -1 1 376.250 3.583 20 10 GHCDMM CCC(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000765747960 860560710 /nfs/dbraw/zinc/56/07/10/860560710.db2.gz RWJOJIAFSJNAGE-UHFFFAOYSA-N -1 1 380.213 3.817 20 10 GHCDMM C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1cccc(Br)c1[O-] ZINC000765751933 860569661 /nfs/dbraw/zinc/56/96/61/860569661.db2.gz ASCWDYFBKXDCJH-LLVKDONJSA-N -1 1 394.240 3.819 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc(C3CCC3)no2)c1)c1cccs1 ZINC000761641476 882398264 /nfs/dbraw/zinc/39/82/64/882398264.db2.gz GDTTVDUSGRBKKD-UHFFFAOYSA-N -1 1 377.447 3.572 20 10 GHCDMM COc1ccc(-c2nnsc2NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193220811 870951323 /nfs/dbraw/zinc/95/13/23/870951323.db2.gz XXBMPYLKIYSOKH-UHFFFAOYSA-N -1 1 377.809 3.531 20 10 GHCDMM O=C(c1ccc(O)c([O-])c1Cl)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001193232800 870962691 /nfs/dbraw/zinc/96/26/91/870962691.db2.gz PJXYTYKCVLUXSJ-UHFFFAOYSA-N -1 1 390.650 3.693 20 10 GHCDMM CC(C)N(C(=O)c1ccc(O)c([O-])c1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001193233442 870963009 /nfs/dbraw/zinc/96/30/09/870963009.db2.gz YWMBAVOQVXPSEX-LBPRGKRZSA-N -1 1 398.887 3.611 20 10 GHCDMM O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccc(O)c([O-])c1Cl ZINC001193230526 870990881 /nfs/dbraw/zinc/99/08/81/870990881.db2.gz UAILGXYPGHZIBE-UHFFFAOYSA-N -1 1 380.791 3.942 20 10 GHCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c3ccccc23)c(Cl)cc1F ZINC001194010521 871430325 /nfs/dbraw/zinc/43/03/25/871430325.db2.gz KKIKTYHCSNGPAA-UHFFFAOYSA-N -1 1 395.795 3.837 20 10 GHCDMM NC(=O)c1cc(O)cc([N-]S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC001197186175 873620705 /nfs/dbraw/zinc/62/07/05/873620705.db2.gz JCEHOWWQZRMBPX-QURGRASLSA-N -1 1 396.428 3.707 20 10 GHCDMM CC(C)(C)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000769645517 874211083 /nfs/dbraw/zinc/21/10/83/874211083.db2.gz VWWVKAYEVIDMDJ-INIZCTEOSA-N -1 1 388.489 3.554 20 10 GHCDMM CCCCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000769714363 874246928 /nfs/dbraw/zinc/24/69/28/874246928.db2.gz PSXZOYFUANGMNP-UHFFFAOYSA-N -1 1 392.477 3.503 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc(-c3ccco3)no2)c1)c1cccs1 ZINC000771191727 875103595 /nfs/dbraw/zinc/10/35/95/875103595.db2.gz RUNONLUFTHFPAZ-UHFFFAOYSA-N -1 1 389.414 3.565 20 10 GHCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000761999705 885181068 /nfs/dbraw/zinc/18/10/68/885181068.db2.gz IXIRHBAGTXZQSX-UHFFFAOYSA-N -1 1 387.404 3.624 20 10 GHCDMM C[C@@H]1CN(Cc2cccc(Br)c2[O-])c2ccccc2N(C)C1=O ZINC000809786343 887837922 /nfs/dbraw/zinc/83/79/22/887837922.db2.gz YSJKDEXHBHJTRK-GFCCVEGCSA-N -1 1 375.266 3.774 20 10 GHCDMM Cn1c(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc2cc(Cl)ccc21 ZINC000778202340 893252686 /nfs/dbraw/zinc/25/26/86/893252686.db2.gz RTIIXDGBQOMDLH-UHFFFAOYSA-N -1 1 381.219 3.784 20 10 GHCDMM COc1cccc(Nc2nnc(SCC(=O)c3ccc([O-])c(O)c3)s2)c1 ZINC000004541279 913754104 /nfs/dbraw/zinc/75/41/04/913754104.db2.gz KFMOJUUWCCSHHT-UHFFFAOYSA-N -1 1 389.458 3.677 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)c3ccsc3)CC2)c1[O-] ZINC000748049615 894558306 /nfs/dbraw/zinc/55/83/06/894558306.db2.gz MJYMVJYWABVQMA-UHFFFAOYSA-N -1 1 392.908 3.658 20 10 GHCDMM O=C(CNC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC001185460327 913885757 /nfs/dbraw/zinc/88/57/57/913885757.db2.gz XATNEDLRUAJNIC-UHFFFAOYSA-N -1 1 397.377 3.507 20 10 GHCDMM NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1N1CCCCC1 ZINC000816598383 894960109 /nfs/dbraw/zinc/96/01/09/894960109.db2.gz ZIORAKINBGUCTF-UHFFFAOYSA-N -1 1 377.847 3.886 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CNCc1nccn1CC(F)(F)F ZINC000882969604 897158009 /nfs/dbraw/zinc/15/80/09/897158009.db2.gz ZTMWVDOGYIWWFP-UHFFFAOYSA-N -1 1 398.610 3.857 20 10 GHCDMM COc1c([O-])c(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)ccc1[N+](=O)[O-] ZINC000289966850 914454698 /nfs/dbraw/zinc/45/46/98/914454698.db2.gz YVYIDOKCICLMDR-HNNXBMFYSA-N -1 1 388.424 3.687 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773256357 904619667 /nfs/dbraw/zinc/61/96/67/904619667.db2.gz BWWKFVHFOAABRW-MSOLQXFVSA-N -1 1 395.499 3.967 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773256357 904619676 /nfs/dbraw/zinc/61/96/76/904619676.db2.gz BWWKFVHFOAABRW-MSOLQXFVSA-N -1 1 395.499 3.967 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C)n1-c1cccc(C)c1 ZINC000773315119 904707059 /nfs/dbraw/zinc/70/70/59/904707059.db2.gz NJJROYDLWLKPGN-INIZCTEOSA-N -1 1 380.448 3.511 20 10 GHCDMM COC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])c1ccc(F)c(C)c1 ZINC000779178579 905135267 /nfs/dbraw/zinc/13/52/67/905135267.db2.gz PDTAPTNYZCPBIN-INIZCTEOSA-N -1 1 396.256 3.915 20 10 GHCDMM Nc1cc(C(F)(F)F)c(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001175717244 907700487 /nfs/dbraw/zinc/70/04/87/907700487.db2.gz GSBXMPJVEDUJIE-UHFFFAOYSA-N -1 1 399.328 3.907 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ncc(C(F)(F)F)s1 ZINC000801753498 921453884 /nfs/dbraw/zinc/45/38/84/921453884.db2.gz VNSSFDSVHGFFHW-UHFFFAOYSA-N -1 1 396.188 3.952 20 10 GHCDMM O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000781099718 930698402 /nfs/dbraw/zinc/69/84/02/930698402.db2.gz FYOZSEIVMIEUNW-YRNVUSSQSA-N -1 1 396.443 3.518 20 10 GHCDMM Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)o2)c(C)c1 ZINC000783125640 931424320 /nfs/dbraw/zinc/42/43/20/931424320.db2.gz UVQXCQMMGPRDCY-UHFFFAOYSA-N -1 1 396.395 3.926 20 10 GHCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000777550679 931717452 /nfs/dbraw/zinc/71/74/52/931717452.db2.gz GPPOKMNDKVESBA-GOSISDBHSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000777550679 931717459 /nfs/dbraw/zinc/71/74/59/931717459.db2.gz GPPOKMNDKVESBA-GOSISDBHSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000777550679 931717466 /nfs/dbraw/zinc/71/74/66/931717466.db2.gz GPPOKMNDKVESBA-GOSISDBHSA-N -1 1 381.472 3.720 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)CN(Cc2c([O-])cccc2F)C1 ZINC001137838829 935817400 /nfs/dbraw/zinc/81/74/00/935817400.db2.gz LFMREYNARGYPFW-NEPJUHHUSA-N -1 1 392.393 3.809 20 10 GHCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001591634928 992942627 /nfs/dbraw/zinc/94/26/27/992942627.db2.gz GKRPYQNKLCXTNZ-UHFFFAOYSA-N -1 1 391.471 3.745 20 10 GHCDMM COc1cccc2c(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cccc12 ZINC001155231816 1032464247 /nfs/dbraw/zinc/46/42/47/1032464247.db2.gz KSXGRXKJDZQWFC-UHFFFAOYSA-N -1 1 377.352 3.618 20 10 GHCDMM CCC[C@@H](CC(=O)OCC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580380 1032470954 /nfs/dbraw/zinc/47/09/54/1032470954.db2.gz NTINYZRSCUDCBS-ZDUSSCGKSA-N -1 1 382.412 3.668 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001227580129 1032471275 /nfs/dbraw/zinc/47/12/75/1032471275.db2.gz HCMNCYRCIHAVJL-FATZIPQQSA-N -1 1 394.423 3.622 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCSC2(CCC2)C1 ZINC000927272404 1017378339 /nfs/dbraw/zinc/37/83/39/1017378339.db2.gz KSFCZZJWFSBURA-GFCCVEGCSA-N -1 1 385.327 3.772 20 10 GHCDMM O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227937172 1032705835 /nfs/dbraw/zinc/70/58/35/1032705835.db2.gz DJILNLNUCGGLMZ-IBGZPJMESA-N -1 1 389.451 3.982 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CSc2ccccc21 ZINC001228940581 1033191709 /nfs/dbraw/zinc/19/17/09/1033191709.db2.gz KXQLKTSLCPRGIV-LBPRGKRZSA-N -1 1 393.306 3.843 20 10 GHCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1-n1cccn1 ZINC001156792943 1033243909 /nfs/dbraw/zinc/24/39/09/1033243909.db2.gz VFVMVRAMIIUWCJ-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM CC(C)Oc1cc(C(N)=O)ccc1NCc1cc(Br)cc(F)c1[O-] ZINC001202884108 1025696335 /nfs/dbraw/zinc/69/63/35/1025696335.db2.gz SWWZVTBKZJNZEI-UHFFFAOYSA-N -1 1 397.244 3.792 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001139132695 1025944589 /nfs/dbraw/zinc/94/45/89/1025944589.db2.gz ZIFNWKNRGTZPOZ-JOCHJYFZSA-N -1 1 383.419 3.694 20 10 GHCDMM CC(C)Oc1ncnc2c1CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203575619 1027445638 /nfs/dbraw/zinc/44/56/38/1027445638.db2.gz UPRCLCXRFWQECE-UHFFFAOYSA-N -1 1 382.291 3.877 20 10 GHCDMM CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203579252 1027447644 /nfs/dbraw/zinc/44/76/44/1027447644.db2.gz PLQOIYXPFVYVRM-UHFFFAOYSA-N -1 1 383.323 3.752 20 10 GHCDMM COc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc(Cl)c1[O-] ZINC000840556031 1027614901 /nfs/dbraw/zinc/61/49/01/1027614901.db2.gz KIECUCAYWLVQDI-ZDUSSCGKSA-N -1 1 376.884 3.790 20 10 GHCDMM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(Cl)c1[O-] ZINC001214003371 1028502038 /nfs/dbraw/zinc/50/20/38/1028502038.db2.gz MYDQAVSPESBIFS-UHFFFAOYSA-N -1 1 380.680 3.972 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])[C@@H](C(F)(F)F)C1 ZINC001142531424 1029033659 /nfs/dbraw/zinc/03/36/59/1029033659.db2.gz XDAPYVZDQSKWEV-CQSZACIVSA-N -1 1 396.356 3.654 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@H](c3c(F)cccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000843437140 1030009823 /nfs/dbraw/zinc/00/98/23/1030009823.db2.gz WWMDVJDSEMXQRT-HNNXBMFYSA-N -1 1 396.802 3.675 20 10 GHCDMM O=C(CNc1cc(F)ccc1Oc1ccc(Cl)nn1)c1ccc([O-])c(O)c1 ZINC001159279535 1034519482 /nfs/dbraw/zinc/51/94/82/1034519482.db2.gz SIKMYAMOCRVUCO-UHFFFAOYSA-N -1 1 389.770 3.767 20 10 GHCDMM O=C(CNc1cnc(Cl)nc1Oc1ccccc1F)c1ccc([O-])c(O)c1 ZINC001159280231 1034520822 /nfs/dbraw/zinc/52/08/22/1034520822.db2.gz HFIGANYBLKHZFX-UHFFFAOYSA-N -1 1 389.770 3.767 20 10 GHCDMM CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(Cl)c1[O-])CCO2 ZINC001231909785 1034984471 /nfs/dbraw/zinc/98/44/71/1034984471.db2.gz IWQPGYCHBLWENO-UHFFFAOYSA-N -1 1 396.915 3.648 20 10 GHCDMM COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c(O)c1I ZINC001248489988 1035911101 /nfs/dbraw/zinc/91/11/01/1035911101.db2.gz SSTYTAVLLMHRBM-QWRGUYRKSA-N -1 1 375.250 3.626 20 10 GHCDMM CC(C)(C)OC(=O)NCC[C@@H](NCc1cc(F)c(F)cc1[O-])C(F)(F)F ZINC001462350239 1070191222 /nfs/dbraw/zinc/19/12/22/1070191222.db2.gz GXAPVVQVUQVLNJ-CYBMUJFWSA-N -1 1 384.345 3.606 20 10 GHCDMM CC(C)(C)OC(=O)N1CCCC12CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416421 1039273017 /nfs/dbraw/zinc/27/30/17/1039273017.db2.gz HLMAXUMEXYBNPL-UHFFFAOYSA-N -1 1 386.414 3.996 20 10 GHCDMM Cc1cccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)c1 ZINC001233418840 1039280144 /nfs/dbraw/zinc/28/01/44/1039280144.db2.gz YEAGPEABBYMUSE-UHFFFAOYSA-N -1 1 378.394 3.677 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1F ZINC001233494530 1039387731 /nfs/dbraw/zinc/38/77/31/1039387731.db2.gz GGVGOCRNBWVJOG-UGSOOPFHSA-N -1 1 397.443 3.807 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCOc2ccc(Br)cc21 ZINC001234473411 1040057474 /nfs/dbraw/zinc/05/74/74/1040057474.db2.gz GNUUGOFKAXSNSJ-INIZCTEOSA-N -1 1 379.206 3.966 20 10 GHCDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001254497733 1040285268 /nfs/dbraw/zinc/28/52/68/1040285268.db2.gz MHPJIWQBJAJLQC-UHFFFAOYSA-N -1 1 377.421 3.571 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCn3cc(C(F)(F)F)nc3C2)c1 ZINC001236663218 1041811269 /nfs/dbraw/zinc/81/12/69/1041811269.db2.gz DWHILOWYVWZALO-UHFFFAOYSA-N -1 1 390.203 3.694 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001237081598 1042027822 /nfs/dbraw/zinc/02/78/22/1042027822.db2.gz ZDZDLAYFFGJVGK-UHFFFAOYSA-N -1 1 397.306 3.623 20 10 GHCDMM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)Cc2nnc(C(F)(F)F)n21 ZINC001237087028 1042029934 /nfs/dbraw/zinc/02/99/34/1042029934.db2.gz SIINEPLZHFPYFD-SSDOTTSWSA-N -1 1 381.185 3.886 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001237121585 1042050218 /nfs/dbraw/zinc/05/02/18/1042050218.db2.gz MQOROAZLUIWHBS-XKGZKEIXSA-N -1 1 392.858 3.528 20 10 GHCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2c1cnn2CC1CC1 ZINC001237123223 1042051087 /nfs/dbraw/zinc/05/10/87/1042051087.db2.gz IWTKZCRGHOKFEP-CQSZACIVSA-N -1 1 393.890 3.927 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)CC[C@H]1F ZINC001237125512 1042053340 /nfs/dbraw/zinc/05/33/40/1042053340.db2.gz DDAPEIXTZVTIDR-YPMHNXCESA-N -1 1 376.831 3.622 20 10 GHCDMM CN(Cc1cncnc1)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237785879 1042369261 /nfs/dbraw/zinc/36/92/61/1042369261.db2.gz JUKQFKUDVQQVGF-UHFFFAOYSA-N -1 1 376.176 3.596 20 10 GHCDMM COCCOc1ccccc1N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237942830 1042432201 /nfs/dbraw/zinc/43/22/01/1042432201.db2.gz GQPGNLQGDTVFGK-UHFFFAOYSA-N -1 1 394.874 3.532 20 10 GHCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(Oc2ccccn2)cc1 ZINC001260145911 1045396049 /nfs/dbraw/zinc/39/60/49/1045396049.db2.gz MTETZVAODURHHD-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(-c2ccccc2)n1 ZINC001297440787 1045524350 /nfs/dbraw/zinc/52/43/50/1045524350.db2.gz QGTYBJQVJVSZDF-UHFFFAOYSA-N -1 1 384.233 3.542 20 10 GHCDMM O=C(N[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1)c1ccccc1 ZINC001305069464 1047871155 /nfs/dbraw/zinc/87/11/55/1047871155.db2.gz GABPQDQRHLNRES-LJQANCHMSA-N -1 1 394.858 3.833 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1c[nH]c2ncc(Br)cc12 ZINC001305085411 1047888614 /nfs/dbraw/zinc/88/86/14/1047888614.db2.gz YKFIBIAYUUOBIT-UHFFFAOYSA-N -1 1 380.629 3.614 20 10 GHCDMM CC(C)(C)OC(=O)NCC1(C(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC001305085089 1047888864 /nfs/dbraw/zinc/88/88/64/1047888864.db2.gz QNYZCHHTSUURJI-UHFFFAOYSA-N -1 1 382.888 3.747 20 10 GHCDMM O=C(NCc1nc(-c2ccc(Cl)cc2)no1)NCc1cccc(Cl)c1[O-] ZINC001312024442 1052535590 /nfs/dbraw/zinc/53/55/90/1052535590.db2.gz OVKBVHSNRISEHS-UHFFFAOYSA-N -1 1 393.230 3.748 20 10 GHCDMM O=C(NCc1ccc(Br)cc1F)NCc1cccc(Cl)c1[O-] ZINC001313389327 1053040479 /nfs/dbraw/zinc/04/04/79/1053040479.db2.gz UDFVADKGLFBPJW-UHFFFAOYSA-N -1 1 387.636 3.947 20 10 GHCDMM O=C(CCOc1cc(Cl)ccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC001321311424 1056220211 /nfs/dbraw/zinc/22/02/11/1056220211.db2.gz XLJPOLCWCCEUJK-UHFFFAOYSA-N -1 1 385.199 3.600 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001324141721 1057077652 /nfs/dbraw/zinc/07/76/52/1057077652.db2.gz MOPGTEKZXDZEGQ-UHFFFAOYSA-N -1 1 397.572 3.799 20 10 GHCDMM O=C(Cc1c[nH]c2nccc(Cl)c12)NCc1cccc(Br)c1[O-] ZINC001467765309 1067458767 /nfs/dbraw/zinc/45/87/67/1067458767.db2.gz WQKGKNCOWORSEL-UHFFFAOYSA-N -1 1 394.656 3.543 20 10 GHCDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1nnc2ccccn21 ZINC001473921604 1074204903 /nfs/dbraw/zinc/20/49/03/1074204903.db2.gz OEFYLJBVMDDBAT-VIFPVBQESA-N -1 1 381.661 3.702 20 10 GHCDMM Cc1cc(O)c(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cc1Cl ZINC001474588635 1074473511 /nfs/dbraw/zinc/47/35/11/1074473511.db2.gz NOMSKWWCMAJFNN-AWEZNQCLSA-N -1 1 398.812 3.964 20 10 GHCDMM Cc1cc(C(=O)CN(C(C)C)C2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859462 601596397 /nfs/dbraw/zinc/59/63/97/601596397.db2.gz QJIIXMCBKQVJIL-UHFFFAOYSA-N -1 1 398.503 3.864 20 10 GHCDMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000890763136 836740850 /nfs/dbraw/zinc/74/08/50/836740850.db2.gz OPUIUMRKQAZJKM-CHWSQXEVSA-N -1 1 382.888 3.697 20 10 GHCDMM CC(C)c1nn(C)c(Cl)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000277497325 846517462 /nfs/dbraw/zinc/51/74/62/846517462.db2.gz JYKJVPBPPHZUJL-UHFFFAOYSA-N -1 1 386.677 3.595 20 10 GHCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])oc2c1C(=O)CCC2 ZINC000277508489 846592524 /nfs/dbraw/zinc/59/25/24/846592524.db2.gz KSTUWTFMYOXKNX-UHFFFAOYSA-N -1 1 378.222 3.505 20 10 GHCDMM CC(=O)n1ncc2ccc(Nc3cc4c(cc3[O-])C(=O)c3ccccc3C4=O)cc21 ZINC001212421744 855243193 /nfs/dbraw/zinc/24/31/93/855243193.db2.gz ZMEKOSTUDXHXDJ-UHFFFAOYSA-N -1 1 397.390 3.921 20 10 GHCDMM C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765755227 855994276 /nfs/dbraw/zinc/99/42/76/855994276.db2.gz HXOXMMYWKBDHEH-SNVBAGLBSA-N -1 1 384.657 3.892 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1ccc(Br)c(F)c1 ZINC000225614177 856694442 /nfs/dbraw/zinc/69/44/42/856694442.db2.gz YHGIQEFRZRGBLF-UHFFFAOYSA-N -1 1 380.622 3.748 20 10 GHCDMM Cc1ccc(OCCC(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765764619 857123385 /nfs/dbraw/zinc/12/33/85/857123385.db2.gz MXFDWUGRTIHGFQ-UHFFFAOYSA-N -1 1 378.266 3.857 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(-c2ccccn2)s1 ZINC000765767896 857522746 /nfs/dbraw/zinc/52/27/46/857522746.db2.gz FSZYMAGBMVLBKR-UHFFFAOYSA-N -1 1 390.262 3.603 20 10 GHCDMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781790 859601848 /nfs/dbraw/zinc/60/18/48/859601848.db2.gz CBDIZQWUSRULAD-CZUORRHYSA-N -1 1 399.329 3.795 20 10 GHCDMM COCCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000764804229 859615498 /nfs/dbraw/zinc/61/54/98/859615498.db2.gz FZUFUZQEXRYIRX-UHFFFAOYSA-N -1 1 399.329 3.941 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](Cc1ccccc1)C1CC1 ZINC000764785306 859618041 /nfs/dbraw/zinc/61/80/41/859618041.db2.gz USDRNHQIDLXATB-QGZVFWFLSA-N -1 1 389.293 3.975 20 10 GHCDMM CC(C)(C)n1ncc2c1ncnc2NCc1cccc(Br)c1[O-] ZINC000764933972 859690228 /nfs/dbraw/zinc/69/02/28/859690228.db2.gz HBXYHWADZBRCJM-UHFFFAOYSA-N -1 1 376.258 3.662 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc(-c2cc[nH]n2)c1 ZINC000765346414 859922932 /nfs/dbraw/zinc/92/29/32/859922932.db2.gz IPTNEOYWEOWFOB-UHFFFAOYSA-N -1 1 387.237 3.867 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCOC2(CCCCC2)C1 ZINC000765534445 860106933 /nfs/dbraw/zinc/10/69/33/860106933.db2.gz KZNSNXQRMXPISZ-AWEZNQCLSA-N -1 1 397.313 3.836 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(Br)c1 ZINC000765726043 860479551 /nfs/dbraw/zinc/47/95/51/860479551.db2.gz DRHBGYXUOMTSRW-UHFFFAOYSA-N -1 1 385.055 3.847 20 10 GHCDMM O=C(Cc1c[nH]c2ccc(F)cc12)NCc1cccc(Br)c1[O-] ZINC000765730271 860501109 /nfs/dbraw/zinc/50/11/09/860501109.db2.gz RTGGWSZSPHVJER-UHFFFAOYSA-N -1 1 377.213 3.634 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1sccc1Br ZINC000765736543 860526789 /nfs/dbraw/zinc/52/67/89/860526789.db2.gz NTOUEUDQAPQPAP-UHFFFAOYSA-N -1 1 391.084 3.909 20 10 GHCDMM COc1ccc(CCC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765737259 860532790 /nfs/dbraw/zinc/53/27/90/860532790.db2.gz SRRUBWKYWHIICW-UHFFFAOYSA-N -1 1 382.229 3.551 20 10 GHCDMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765754242 860568072 /nfs/dbraw/zinc/56/80/72/860568072.db2.gz TWIBNWABWKGCLS-SECBINFHSA-N -1 1 386.192 3.517 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc(C3CCCC3)no2)c1)c1cccs1 ZINC000184844097 864982980 /nfs/dbraw/zinc/98/29/80/864982980.db2.gz DMCZLQKNIZEEPD-UHFFFAOYSA-N -1 1 391.474 3.962 20 10 GHCDMM COc1ccc([C@@H]2C[C@H]2NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000793243472 882041418 /nfs/dbraw/zinc/04/14/18/882041418.db2.gz RPZATJBBHGZNFM-GOEBONIOSA-N -1 1 391.265 3.519 20 10 GHCDMM COc1c([O-])c(CN2CCc3ccc(Br)cc3C2)ccc1[N+](=O)[O-] ZINC000793617185 882333088 /nfs/dbraw/zinc/33/30/88/882333088.db2.gz WRHCFXMYRZCHGJ-UHFFFAOYSA-N -1 1 393.237 3.630 20 10 GHCDMM O=C(Nc1ccc2nc(-c3ccccc3F)nn2c1)c1ccc(O)c([O-])c1Cl ZINC001193218540 870951797 /nfs/dbraw/zinc/95/17/97/870951797.db2.gz BCOBHCNJYNGEBZ-UHFFFAOYSA-N -1 1 398.781 3.852 20 10 GHCDMM O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)c1ccc(O)c([O-])c1Cl ZINC001193232994 870962664 /nfs/dbraw/zinc/96/26/64/870962664.db2.gz TWNSGMOXOKLYCE-NSHDSACASA-N -1 1 381.787 3.700 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCn2c(Br)cnc2C1 ZINC001236795219 871267932 /nfs/dbraw/zinc/26/79/32/871267932.db2.gz BWTYGDUERPSZEK-UHFFFAOYSA-N -1 1 377.069 3.674 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)ccc1O ZINC001194428531 871710387 /nfs/dbraw/zinc/71/03/87/871710387.db2.gz DJZKBQXSYQUMTB-UHFFFAOYSA-N -1 1 391.832 3.786 20 10 GHCDMM Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)c(C)o1 ZINC000775678603 872811555 /nfs/dbraw/zinc/81/15/55/872811555.db2.gz FYHPEPQUKOLQDQ-UHFFFAOYSA-N -1 1 380.847 3.789 20 10 GHCDMM O=C(CNC(=O)c1cc(F)cc(C(F)(F)F)c1Cl)c1ccc([O-])c(O)c1 ZINC001198173111 874260225 /nfs/dbraw/zinc/26/02/25/874260225.db2.gz MXMBCEWVZGIPIO-UHFFFAOYSA-N -1 1 391.704 3.522 20 10 GHCDMM CCS(=O)(=O)N(C)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000850391542 876875450 /nfs/dbraw/zinc/87/54/50/876875450.db2.gz UGILQSINKNDROZ-UHFFFAOYSA-N -1 1 399.310 3.553 20 10 GHCDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000788843790 878379311 /nfs/dbraw/zinc/37/93/11/878379311.db2.gz ZGRKAZQBLKSMJU-UHFFFAOYSA-N -1 1 388.489 3.573 20 10 GHCDMM COc1ccc(N2CC[C@@H](Nc3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)C2)cc1 ZINC000853758338 879264867 /nfs/dbraw/zinc/26/48/67/879264867.db2.gz CKRMBRGPWBLDSP-QGZVFWFLSA-N -1 1 391.475 3.560 20 10 GHCDMM CCOC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])c1cccc(O)c1 ZINC000792175034 880964666 /nfs/dbraw/zinc/96/46/66/880964666.db2.gz PRGDOWJIAGBEJW-INIZCTEOSA-N -1 1 394.265 3.563 20 10 GHCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1N1C(=O)N[C@H](C)C1=O ZINC000808446366 886356292 /nfs/dbraw/zinc/35/62/92/886356292.db2.gz FXSIXDKNULPYME-SNVBAGLBSA-N -1 1 377.803 3.550 20 10 GHCDMM CCOC(=O)c1nn(-c2ccccc2)cc1CNCc1cccc(Cl)c1[O-] ZINC001184265919 913109246 /nfs/dbraw/zinc/10/92/46/913109246.db2.gz WRYUDOJFDKBOEJ-UHFFFAOYSA-N -1 1 385.851 3.698 20 10 GHCDMM CC[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cccc(Cl)c1[O-] ZINC000287142964 913137390 /nfs/dbraw/zinc/13/73/90/913137390.db2.gz SJQJJKUKWKIHCB-INIZCTEOSA-N -1 1 386.887 3.781 20 10 GHCDMM CC(=O)c1cc(F)cc(CN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)c1O ZINC000872165130 891188451 /nfs/dbraw/zinc/18/84/51/891188451.db2.gz OTYYMYSYKIRTLW-UHFFFAOYSA-N -1 1 392.452 3.577 20 10 GHCDMM C[C@@H](C(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1)n1cncn1 ZINC000816525130 894924064 /nfs/dbraw/zinc/92/40/64/894924064.db2.gz GFSIJPWSFVFTFQ-NSHDSACASA-N -1 1 389.818 3.588 20 10 GHCDMM COC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1cc(C)cc(C)c1 ZINC001170949570 897375891 /nfs/dbraw/zinc/37/58/91/897375891.db2.gz RRNAXHJPBLBKRB-SFHVURJKSA-N -1 1 375.852 3.869 20 10 GHCDMM COC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])c1ccccc1F ZINC000779178030 905144861 /nfs/dbraw/zinc/14/48/61/905144861.db2.gz JTRMOUUDMHQMDX-OAHLLOKOSA-N -1 1 382.229 3.606 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000295721935 917444416 /nfs/dbraw/zinc/44/44/16/917444416.db2.gz XMOBKBMMBZVLNA-UHFFFAOYSA-N -1 1 390.358 3.732 20 10 GHCDMM C[C@@H](NCc1cc(Br)cc(Br)c1[O-])c1nccn1C ZINC000827722553 925937466 /nfs/dbraw/zinc/93/74/66/925937466.db2.gz MTNTUWYLQDJFPB-MRVPVSSYSA-N -1 1 389.091 3.502 20 10 GHCDMM C[C@@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1cc(F)cc(F)c1[O-] ZINC000757614118 929744924 /nfs/dbraw/zinc/74/49/24/929744924.db2.gz YAOHRMIIAZOFFT-GFCCVEGCSA-N -1 1 375.419 3.545 20 10 GHCDMM O=C(CCCc1ccc(Br)s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782198687 931117748 /nfs/dbraw/zinc/11/77/48/931117748.db2.gz FDLHGTAOAGELCS-UHFFFAOYSA-N -1 1 399.262 3.671 20 10 GHCDMM O=C(CCOc1cccc(Cl)c1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783046717 931394540 /nfs/dbraw/zinc/39/45/40/931394540.db2.gz DUUPUZNDWLXSNP-UHFFFAOYSA-N -1 1 385.199 3.600 20 10 GHCDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783745701 931641655 /nfs/dbraw/zinc/64/16/55/931641655.db2.gz PQIKLUCYXIGHOQ-NSHDSACASA-N -1 1 382.334 3.721 20 10 GHCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Br)cc1 ZINC000784260872 931838576 /nfs/dbraw/zinc/83/85/76/931838576.db2.gz GPAIPTOMQCOUQF-NSHDSACASA-N -1 1 393.233 3.780 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)ccc1O ZINC000797820046 932416854 /nfs/dbraw/zinc/41/68/54/932416854.db2.gz CZTZJWJFNJXHDI-UHFFFAOYSA-N -1 1 392.658 3.618 20 10 GHCDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1[N+](=O)[O-] ZINC000777637671 932674244 /nfs/dbraw/zinc/67/42/44/932674244.db2.gz LNAHBCXSYJSVTA-UHFFFAOYSA-N -1 1 398.412 3.681 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCC(F)(F)C1 ZINC000799989649 933203736 /nfs/dbraw/zinc/20/37/36/933203736.db2.gz BQRUIJPPGQJOIO-SNVBAGLBSA-N -1 1 377.229 3.779 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2F)[C@H](C(F)(F)F)C1 ZINC001137841520 935818700 /nfs/dbraw/zinc/81/87/00/935818700.db2.gz IHWYHLLJZKPUMV-AWEZNQCLSA-N -1 1 378.366 3.515 20 10 GHCDMM C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)c1cc(C(=O)[O-])ccc1O ZINC001593317603 994819747 /nfs/dbraw/zinc/81/97/47/994819747.db2.gz RHLIUOLUAPOBRO-CQSZACIVSA-N -1 1 377.444 3.616 20 10 GHCDMM COc1cc(Cl)cc(CN(CCC(=O)[O-])Cc2cccc(F)c2F)c1O ZINC001599421038 997594270 /nfs/dbraw/zinc/59/42/70/997594270.db2.gz YHRHGVVHWFYVGY-UHFFFAOYSA-N -1 1 385.794 3.809 20 10 GHCDMM CCCC[C@H](CC)COCCCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155230719 1032464234 /nfs/dbraw/zinc/46/42/34/1032464234.db2.gz BBPLVPFWXPVLDM-AWEZNQCLSA-N -1 1 391.464 3.557 20 10 GHCDMM CC(C)Oc1cc(COc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)ccn1 ZINC001227577246 1032469339 /nfs/dbraw/zinc/46/93/39/1032469339.db2.gz JALVPQXQICKNLC-UHFFFAOYSA-N -1 1 389.407 3.929 20 10 GHCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1cnc2ccccn21 ZINC001228115480 1032790438 /nfs/dbraw/zinc/79/04/38/1032790438.db2.gz PLUNQSHFDPNBMA-ZDUSSCGKSA-N -1 1 390.395 3.822 20 10 GHCDMM CCCOC[C@H](C)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228190186 1032831805 /nfs/dbraw/zinc/83/18/05/1032831805.db2.gz GCDZUTVFKRYJFL-KPZWWZAWSA-N -1 1 388.416 3.704 20 10 GHCDMM CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC001140342187 1021453940 /nfs/dbraw/zinc/45/39/40/1021453940.db2.gz WJPRWXIINPBTAF-UHFFFAOYSA-N -1 1 385.888 3.531 20 10 GHCDMM CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1[O-] ZINC001140465206 1021757524 /nfs/dbraw/zinc/75/75/24/1021757524.db2.gz IGUDACYAPHYPIM-UHFFFAOYSA-N -1 1 385.888 3.531 20 10 GHCDMM C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)cc(F)c1[O-] ZINC000756818778 1023826522 /nfs/dbraw/zinc/82/65/22/1023826522.db2.gz HOSJQHNHAXMDMX-JTQLQIEISA-N -1 1 394.244 3.997 20 10 GHCDMM Cc1c(Cl)cccc1N1CCCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000831495621 1024600490 /nfs/dbraw/zinc/60/04/90/1024600490.db2.gz PCAPFBPHCKFUQA-UHFFFAOYSA-N -1 1 378.831 3.551 20 10 GHCDMM COC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141373196 1024761342 /nfs/dbraw/zinc/76/13/42/1024761342.db2.gz RLOTVGDWTFNZLC-ZJUUUORDSA-N -1 1 376.678 3.582 20 10 GHCDMM O=C(NCc1cccc(Br)c1O)c1ccc(C(F)(F)F)cc1[O-] ZINC001139974591 1026771378 /nfs/dbraw/zinc/77/13/78/1026771378.db2.gz HQCFVJMBIPDQJK-UHFFFAOYSA-N -1 1 390.155 3.809 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001203574086 1027442768 /nfs/dbraw/zinc/44/27/68/1027442768.db2.gz OGDFPXZHAGJTBE-AAEUAGOBSA-N -1 1 376.177 3.926 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN[C@H](c2nccn2C)C(F)(F)F)c1 ZINC001204119995 1027892477 /nfs/dbraw/zinc/89/24/77/1027892477.db2.gz LIHOROLKABUUJP-GFCCVEGCSA-N -1 1 378.192 3.590 20 10 GHCDMM NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cc(F)c([O-])cc1F ZINC001215574505 1029290091 /nfs/dbraw/zinc/29/00/91/1029290091.db2.gz WPNISCXGOINIOA-UHFFFAOYSA-N -1 1 382.366 3.673 20 10 GHCDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000842586008 1029395231 /nfs/dbraw/zinc/39/52/31/1029395231.db2.gz KWIAFHUXYJFHCT-UHFFFAOYSA-N -1 1 394.449 3.589 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3ccc(F)cc3Cl)no2)cc1CN1CCOCC1 ZINC001217054970 1030127611 /nfs/dbraw/zinc/12/76/11/1030127611.db2.gz MYLOBWBGRMUVAZ-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM CC(C)Oc1ccccc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217056619 1030128311 /nfs/dbraw/zinc/12/83/11/1030128311.db2.gz MQTQTXSWQGLJJY-UHFFFAOYSA-N -1 1 395.459 3.729 20 10 GHCDMM CCC[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786402 1033712379 /nfs/dbraw/zinc/71/23/79/1033712379.db2.gz NIPFUMDZZQKZNO-MRXNPFEDSA-N -1 1 376.405 3.649 20 10 GHCDMM Cc1ccccc1[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787716 1033714520 /nfs/dbraw/zinc/71/45/20/1033714520.db2.gz VREZJFHKCIFFBS-LBPRGKRZSA-N -1 1 396.395 3.894 20 10 GHCDMM C[C@@H]1CC[C@@H](C)[C@@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229787824 1033714727 /nfs/dbraw/zinc/71/47/27/1033714727.db2.gz XOYNQFVTQCZZNI-AGKHESDQSA-N -1 1 388.416 3.649 20 10 GHCDMM CC1(C)CCC[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229792829 1033720243 /nfs/dbraw/zinc/72/02/43/1033720243.db2.gz UENASZOGKSYHLM-LBPRGKRZSA-N -1 1 388.416 3.793 20 10 GHCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc(Cl)ccc1OC(F)F ZINC001161097833 1035140541 /nfs/dbraw/zinc/14/05/41/1035140541.db2.gz BPOIJJVYZVNJNV-SSDOTTSWSA-N -1 1 375.730 3.983 20 10 GHCDMM COc1ccc(CN2CCc3ccccc3C2)c([O-])c1I ZINC001248476664 1035903794 /nfs/dbraw/zinc/90/37/94/1035903794.db2.gz LXSKUNIXVNLZDZ-UHFFFAOYSA-N -1 1 395.240 3.564 20 10 GHCDMM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])c2ccccc2NC1=O ZINC001462234452 1070107906 /nfs/dbraw/zinc/10/79/06/1070107906.db2.gz KQCWPWVCSMONBS-SNVBAGLBSA-N -1 1 379.229 3.889 20 10 GHCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCC(F)(F)C3)c2)nc1C ZINC001232450468 1038232885 /nfs/dbraw/zinc/23/28/85/1038232885.db2.gz CVJLWEGQGROFOM-UHFFFAOYSA-N -1 1 382.432 3.842 20 10 GHCDMM [O-]c1c(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cccc1C(F)(F)F ZINC001233416349 1039272805 /nfs/dbraw/zinc/27/28/05/1039272805.db2.gz FLJPJEDPBCVWJF-JENIJYKNSA-N -1 1 394.393 3.617 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001233495584 1039390012 /nfs/dbraw/zinc/39/00/12/1039390012.db2.gz PFJAJGAAZFOBLW-KZULUSFZSA-N -1 1 379.453 3.715 20 10 GHCDMM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277829713 1039808828 /nfs/dbraw/zinc/80/88/28/1039808828.db2.gz ITGXGDLCAZPHFF-HXPMCKFVSA-N -1 1 399.318 3.634 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001234474375 1040055719 /nfs/dbraw/zinc/05/57/19/1040055719.db2.gz RRQSRYHSNKVDMO-GHTZIAJQSA-N -1 1 391.464 3.859 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001234473799 1040056151 /nfs/dbraw/zinc/05/61/51/1040056151.db2.gz KFBBTCZYWUQMAW-SJCJKPOMSA-N -1 1 379.453 3.715 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CO[C@]2(C[C@H](C)CC[C@H]2C(C)C)O1 ZINC001234473854 1040056711 /nfs/dbraw/zinc/05/67/11/1040056711.db2.gz KTSUVLQPSMGMOA-BHOPFYFBSA-N -1 1 378.465 3.883 20 10 GHCDMM CC(=O)N(C(C)C)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235066819 1040558363 /nfs/dbraw/zinc/55/83/63/1040558363.db2.gz OCTLWZGMQQEHLA-UHFFFAOYSA-N -1 1 387.293 3.515 20 10 GHCDMM CSc1ncc2c(n1)CN(Cc1cc(C)cc(Br)c1[O-])CC2 ZINC001236669691 1041817689 /nfs/dbraw/zinc/81/76/89/1041817689.db2.gz QQXLHVNRQNYEHH-UHFFFAOYSA-N -1 1 380.311 3.533 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001236673562 1041820530 /nfs/dbraw/zinc/82/05/30/1041820530.db2.gz MWYUXMQYRLZSCC-UHFFFAOYSA-N -1 1 385.302 3.516 20 10 GHCDMM CCOC(=O)c1nc2c(s1)CN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236800000 1041903022 /nfs/dbraw/zinc/90/30/22/1041903022.db2.gz SACRYBYCZPVSNP-UHFFFAOYSA-N -1 1 387.288 3.891 20 10 GHCDMM O=C(Cc1ccccc1)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236800202 1041903213 /nfs/dbraw/zinc/90/32/13/1041903213.db2.gz URYBXNCIQMOPOB-UHFFFAOYSA-N -1 1 379.287 3.586 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1c([O-])ccc(F)c1Cl ZINC001237128211 1042055192 /nfs/dbraw/zinc/05/51/92/1042055192.db2.gz MIYRGSQJVJZPIO-JTQLQIEISA-N -1 1 394.821 3.919 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)CC(F)(F)C1 ZINC001237131789 1042055778 /nfs/dbraw/zinc/05/57/78/1042055778.db2.gz XESZWFRUMPAHIW-SNVBAGLBSA-N -1 1 394.821 3.919 20 10 GHCDMM C[C@@]1(CF)CC(F)(F)CN1Cc1cccc(I)c1[O-] ZINC001237776241 1042363904 /nfs/dbraw/zinc/36/39/04/1042363904.db2.gz JLSCJTIHARAPQM-LBPRGKRZSA-N -1 1 385.167 3.566 20 10 GHCDMM [O-]c1c(I)cccc1CN1Cc2cnc(Cl)cc2C1 ZINC001237786767 1042369080 /nfs/dbraw/zinc/36/90/80/1042369080.db2.gz MNMLKHDGGXIDRL-UHFFFAOYSA-N -1 1 386.620 3.561 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237938153 1042428973 /nfs/dbraw/zinc/42/89/73/1042428973.db2.gz UQZKIZAQGFWGSS-UHFFFAOYSA-N -1 1 398.869 3.997 20 10 GHCDMM CCS(=O)(=O)[N-]c1ccccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256988443 1043788027 /nfs/dbraw/zinc/78/80/27/1043788027.db2.gz UTCUNZGUOZQCDD-UHFFFAOYSA-N -1 1 394.456 3.956 20 10 GHCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc([O-])c1F ZINC001294160620 1044503923 /nfs/dbraw/zinc/50/39/23/1044503923.db2.gz IKPMICZISOEZCT-GFCCVEGCSA-N -1 1 380.366 3.532 20 10 GHCDMM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC001260835063 1045704313 /nfs/dbraw/zinc/70/43/13/1045704313.db2.gz VCNRJJJDNLYQCA-UHFFFAOYSA-N -1 1 386.860 3.908 20 10 GHCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000747653981 1047040408 /nfs/dbraw/zinc/04/04/08/1047040408.db2.gz HBNTYAKWKITKHW-UHFFFAOYSA-N -1 1 381.461 3.899 20 10 GHCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001306845307 1048925261 /nfs/dbraw/zinc/92/52/61/1048925261.db2.gz FVLCDHINRINNNX-NSHDSACASA-N -1 1 380.213 3.629 20 10 GHCDMM COC(=O)c1sc2c(c1Br)CN(Cc1cccc(F)c1[O-])C2 ZINC000827862411 1049894533 /nfs/dbraw/zinc/89/45/33/1049894533.db2.gz DZAPNUCNGMVOOH-UHFFFAOYSA-N -1 1 386.242 3.658 20 10 GHCDMM CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001332883319 1051591177 /nfs/dbraw/zinc/59/11/77/1051591177.db2.gz FPLXJNIHQJTBSA-UHFFFAOYSA-N -1 1 396.896 3.691 20 10 GHCDMM CN1CCN(c2ccc(/C=C/c3cc(C(=O)[O-])c4ccc(F)cc4n3)cc2)CC1 ZINC001337118741 1052403222 /nfs/dbraw/zinc/40/32/22/1052403222.db2.gz UKEGWHWIEJRNBF-QHHAFSJGSA-N -1 1 391.446 3.994 20 10 GHCDMM C[C@@H](COc1ccccc1F)NC(=O)NCc1cccc(Br)c1[O-] ZINC001320786111 1055960551 /nfs/dbraw/zinc/96/05/51/1055960551.db2.gz NXPHMOFFVFMYOM-NSHDSACASA-N -1 1 397.244 3.561 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nnc(Cc2cccc(F)c2)s1 ZINC001465595924 1065736928 /nfs/dbraw/zinc/73/69/28/1065736928.db2.gz WOJWHCRLCFHMHI-UHFFFAOYSA-N -1 1 392.843 3.949 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ncc(Cl)cc1Cl ZINC001467765290 1067458134 /nfs/dbraw/zinc/45/81/34/1067458134.db2.gz WCUCXXOZOOHGMH-UHFFFAOYSA-N -1 1 376.037 3.787 20 10 GHCDMM O=C(NCC[C@H]1CCCC1(F)F)NCc1cccc(Br)c1[O-] ZINC001471184049 1072956736 /nfs/dbraw/zinc/95/67/36/1072956736.db2.gz OSOADBPPCVJJTH-LLVKDONJSA-N -1 1 377.229 3.779 20 10 GHCDMM Cc1cc(Br)cc(C=C2SC(=S)[N-]C2=O)c1OC(F)F ZINC000588393587 840404489 /nfs/dbraw/zinc/40/44/89/840404489.db2.gz FYQVDYOPAMGOSB-XBXARRHUSA-N -1 1 380.235 3.848 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc([C@@H]2CCOC2)c1 ZINC000277612596 847291642 /nfs/dbraw/zinc/29/16/42/847291642.db2.gz VMZLIYFHNBBLQQ-OAHLLOKOSA-N -1 1 376.250 3.589 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000765756385 856109432 /nfs/dbraw/zinc/10/94/32/856109432.db2.gz MVGWIDRWYIXKJF-YPMHNXCESA-N -1 1 382.204 3.853 20 10 GHCDMM COc1cccc([C@H](C)CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765758473 856392658 /nfs/dbraw/zinc/39/26/58/856392658.db2.gz XXUJFCGPTKHPEH-GFCCVEGCSA-N -1 1 378.266 3.973 20 10 GHCDMM CCOc1ccc(Br)c(F)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315167 881345199 /nfs/dbraw/zinc/34/51/99/881345199.db2.gz RHKBJUMBSQUSRX-UHFFFAOYSA-N -1 1 384.201 3.693 20 10 GHCDMM Cc1c(C)n(C2CCCC2)c2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001170316667 881348312 /nfs/dbraw/zinc/34/83/12/881348312.db2.gz XFIFHJPVFAAJAY-UHFFFAOYSA-N -1 1 380.448 3.869 20 10 GHCDMM C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764763274 859599335 /nfs/dbraw/zinc/59/93/35/859599335.db2.gz UBYPRSSTVSQOGL-LBPRGKRZSA-N -1 1 393.281 3.681 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCC1(Cc2ccccc2)CC1 ZINC000764799245 859612862 /nfs/dbraw/zinc/61/28/62/859612862.db2.gz JEXHRPXQVPISOA-UHFFFAOYSA-N -1 1 389.293 3.977 20 10 GHCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])Oc1cccc(F)c1 ZINC000764789470 859619981 /nfs/dbraw/zinc/61/99/81/859619981.db2.gz FSEXZMNVRUCOKW-NSHDSACASA-N -1 1 397.244 3.561 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(F)c(F)c1F ZINC000765210026 859848713 /nfs/dbraw/zinc/84/87/13/859848713.db2.gz IEHASNBMTCRYSE-UHFFFAOYSA-N -1 1 375.144 3.894 20 10 GHCDMM COCCOc1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765257858 859874020 /nfs/dbraw/zinc/87/40/20/859874020.db2.gz DCFOIZHBPLVVDB-UHFFFAOYSA-N -1 1 395.253 3.502 20 10 GHCDMM O=C(CCc1cncc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765727393 860480387 /nfs/dbraw/zinc/48/03/87/860480387.db2.gz NKHKZQDASSIMNT-UHFFFAOYSA-N -1 1 385.261 3.952 20 10 GHCDMM Cc1ccc(C(=O)CCC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765727037 860483240 /nfs/dbraw/zinc/48/32/40/860483240.db2.gz JTDHLRJQCDPRHN-UHFFFAOYSA-N -1 1 382.279 3.804 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(-c2ccccn2)n1 ZINC000765731748 860500574 /nfs/dbraw/zinc/50/05/74/860500574.db2.gz MGCRDQDDMWYCPY-UHFFFAOYSA-N -1 1 390.262 3.603 20 10 GHCDMM Cc1ccn(-c2ccc(C(=O)NCc3cccc(Br)c3[O-])cc2)n1 ZINC000765732627 860514791 /nfs/dbraw/zinc/51/47/91/860514791.db2.gz RDBLXMDCZVUGOZ-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM Cc1cc(Br)oc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765745813 860560906 /nfs/dbraw/zinc/56/09/06/860560906.db2.gz AAJPOFMNBMWORV-UHFFFAOYSA-N -1 1 389.043 3.749 20 10 GHCDMM COc1ccc(C[C@H](C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765747495 860562685 /nfs/dbraw/zinc/56/26/85/860562685.db2.gz OWSKXEDYYLSENK-LBPRGKRZSA-N -1 1 378.266 3.658 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](c1ccncc1)C1CC1 ZINC000899006168 865105619 /nfs/dbraw/zinc/10/56/19/865105619.db2.gz MTPYKWNPEOMAFZ-OAHLLOKOSA-N -1 1 376.254 3.500 20 10 GHCDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000744576798 868951301 /nfs/dbraw/zinc/95/13/01/868951301.db2.gz XPPRHUSVNSAVLB-UHFFFAOYSA-N -1 1 384.457 3.803 20 10 GHCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001193232142 870961350 /nfs/dbraw/zinc/96/13/50/870961350.db2.gz FKDPTVARGMZZGD-QWHCGFSZSA-N -1 1 398.887 3.659 20 10 GHCDMM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(O)c([O-])c1Cl ZINC001193236648 870964825 /nfs/dbraw/zinc/96/48/25/870964825.db2.gz LCHUDOQVCFJHTK-LLVKDONJSA-N -1 1 376.623 3.521 20 10 GHCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C)CC3)c2)c2ccccc12 ZINC001193857922 871357433 /nfs/dbraw/zinc/35/74/33/871357433.db2.gz QBNXOLOGZVCIOY-UHFFFAOYSA-N -1 1 395.528 3.701 20 10 GHCDMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1 ZINC001196488724 873132390 /nfs/dbraw/zinc/13/23/90/873132390.db2.gz WJPGCPHWAXCOEZ-UHFFFAOYSA-N -1 1 382.413 3.679 20 10 GHCDMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC001197186094 873620426 /nfs/dbraw/zinc/62/04/26/873620426.db2.gz HFWGRNYRLOAMPQ-GHVJWSGMSA-N -1 1 394.456 3.931 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000769633685 874179289 /nfs/dbraw/zinc/17/92/89/874179289.db2.gz NMCNBQADTHTZBY-UHFFFAOYSA-N -1 1 398.440 3.808 20 10 GHCDMM Cc1cc(CNCc2cc(Br)cc(Br)c2[O-])no1 ZINC000776056787 875284114 /nfs/dbraw/zinc/28/41/14/875284114.db2.gz SIBGQFGXVIVQCZ-UHFFFAOYSA-N -1 1 376.048 3.503 20 10 GHCDMM CN1CCN(c2ccc(/C=C\c3nc4ccc(C(=O)[O-])cc4s3)cc2)CC1 ZINC000761486516 878102218 /nfs/dbraw/zinc/10/22/18/878102218.db2.gz PMGZJCRLHOFCCV-WTKPLQERSA-N -1 1 379.485 3.917 20 10 GHCDMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1OCc1ccccc1 ZINC000008270141 878178918 /nfs/dbraw/zinc/17/89/18/878178918.db2.gz MLBAVTNGKZEDOI-YBEGLDIGSA-N -1 1 387.482 3.772 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531819 887196196 /nfs/dbraw/zinc/19/61/96/887196196.db2.gz FQXNXBDAGAJRIJ-JXFKEZNVSA-N -1 1 382.504 3.936 20 10 GHCDMM C[C@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794842881 888420067 /nfs/dbraw/zinc/42/00/67/888420067.db2.gz SZXSXWJIYZXDHM-IINYFYTJSA-N -1 1 386.326 3.583 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000121876279 889190442 /nfs/dbraw/zinc/19/04/42/889190442.db2.gz WTJJHXHVVYOYOZ-RDJZCZTQSA-N -1 1 395.908 3.634 20 10 GHCDMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000778565217 896773344 /nfs/dbraw/zinc/77/33/44/896773344.db2.gz POFSDAZGJYLZGX-UHFFFAOYSA-N -1 1 395.452 3.941 20 10 GHCDMM CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883077753 897256694 /nfs/dbraw/zinc/25/66/94/897256694.db2.gz VAKWYCMSDLMQIK-LBPRGKRZSA-N -1 1 384.448 3.500 20 10 GHCDMM Cc1c(NCc2cc(Br)cc(F)c2[O-])cnn1C1CCOCC1 ZINC000883131938 897309125 /nfs/dbraw/zinc/30/91/25/897309125.db2.gz ZKMKEQGXLYGGNP-UHFFFAOYSA-N -1 1 384.249 3.762 20 10 GHCDMM CCOc1ccc(O)c(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)c1 ZINC000825011558 899918129 /nfs/dbraw/zinc/91/81/29/899918129.db2.gz OKWPUZZKOVRVIV-UHFFFAOYSA-N -1 1 382.382 3.890 20 10 GHCDMM CCc1nc(CNCc2cc(Br)cc(Br)c2[O-])co1 ZINC000825058467 899957497 /nfs/dbraw/zinc/95/74/97/899957497.db2.gz ZKIIBFVDTXVRTR-UHFFFAOYSA-N -1 1 390.075 3.757 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2Br)c(C)cc1O ZINC001186718829 914773453 /nfs/dbraw/zinc/77/34/53/914773453.db2.gz VDWBKSWKHWHRHV-UHFFFAOYSA-N -1 1 392.221 3.851 20 10 GHCDMM COc1cnc([C@@H]2CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[n-]c1=O ZINC000889794806 904768858 /nfs/dbraw/zinc/76/88/58/904768858.db2.gz ADIUSLJUTHPWIP-SFHVURJKSA-N -1 1 392.459 3.576 20 10 GHCDMM Cc1ccc(CNC(=O)c2c[nH]nc2NCc2c([O-])ccc(Cl)c2F)cc1 ZINC001179686520 909646656 /nfs/dbraw/zinc/64/66/56/909646656.db2.gz YFPNQDKUUPYJFF-UHFFFAOYSA-N -1 1 388.830 3.758 20 10 GHCDMM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC001179881683 909802567 /nfs/dbraw/zinc/80/25/67/909802567.db2.gz IZPAIYBEUKHXBV-CYBMUJFWSA-N -1 1 394.849 3.599 20 10 GHCDMM C[C@@H](Oc1ccccc1Br)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410195 910151938 /nfs/dbraw/zinc/15/19/38/910151938.db2.gz LSNFYVTULMRUIX-SNVBAGLBSA-N -1 1 384.657 3.892 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1Br)c1cc2c(s1)CCCC2 ZINC001187214673 915123879 /nfs/dbraw/zinc/12/38/79/915123879.db2.gz BYSVUNGWPGVDGM-UHFFFAOYSA-N -1 1 388.308 3.896 20 10 GHCDMM CC(C)(C)NS(=O)(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000796401553 916487790 /nfs/dbraw/zinc/48/77/90/916487790.db2.gz HWWBCLUSTRHVET-UHFFFAOYSA-N -1 1 386.876 3.874 20 10 GHCDMM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189319168 916549478 /nfs/dbraw/zinc/54/94/78/916549478.db2.gz MGBUIXPSVNALRI-UHFFFAOYSA-N -1 1 388.395 3.533 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(F)c2ccccc21 ZINC001189385322 916580940 /nfs/dbraw/zinc/58/09/40/916580940.db2.gz KJHBMARXBCDRBK-UHFFFAOYSA-N -1 1 386.448 3.616 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC001190427104 917331900 /nfs/dbraw/zinc/33/19/00/917331900.db2.gz PAHDRSDGCAPLCX-UHFFFAOYSA-N -1 1 378.384 3.895 20 10 GHCDMM C[C@@H]1[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCC12CCOCC2 ZINC000758272537 929998429 /nfs/dbraw/zinc/99/84/29/929998429.db2.gz JJLZRQYWQAWSMK-INIZCTEOSA-N -1 1 381.472 3.720 20 10 GHCDMM C[C@@H]1[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCC12CCOCC2 ZINC000758272537 929998433 /nfs/dbraw/zinc/99/84/33/929998433.db2.gz JJLZRQYWQAWSMK-INIZCTEOSA-N -1 1 381.472 3.720 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000781901056 931018161 /nfs/dbraw/zinc/01/81/61/931018161.db2.gz LIZOAFALYFHFFC-KRWDZBQOSA-N -1 1 389.293 3.526 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000782291335 931161501 /nfs/dbraw/zinc/16/15/01/931161501.db2.gz RCXNSSSULCJERG-SFHVURJKSA-N -1 1 388.467 3.788 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000782291335 931161508 /nfs/dbraw/zinc/16/15/08/931161508.db2.gz RCXNSSSULCJERG-SFHVURJKSA-N -1 1 388.467 3.788 20 10 GHCDMM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783411004 931541111 /nfs/dbraw/zinc/54/11/11/931541111.db2.gz RAILYKLSKOXHAL-VIFPVBQESA-N -1 1 385.199 3.598 20 10 GHCDMM O=C(COC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783879132 931702105 /nfs/dbraw/zinc/70/21/05/931702105.db2.gz RNPSNICCZHSCPM-KGLIPLIRSA-N -1 1 381.211 3.934 20 10 GHCDMM CCN(Cc1ccccc1NC(=O)NCc1cccc(Cl)c1[O-])C(C)=O ZINC000929607072 933538907 /nfs/dbraw/zinc/53/89/07/933538907.db2.gz IOJZKXUEDLFQMD-UHFFFAOYSA-N -1 1 375.856 3.736 20 10 GHCDMM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000929901260 933698491 /nfs/dbraw/zinc/69/84/91/933698491.db2.gz ZUPCIIZTZMNSTL-UHFFFAOYSA-N -1 1 375.856 3.814 20 10 GHCDMM C[C@@H](c1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1)N1CCOCC1 ZINC000930228005 933907876 /nfs/dbraw/zinc/90/78/76/933907876.db2.gz KWKYXEONVMRBHU-AWEZNQCLSA-N -1 1 389.883 3.761 20 10 GHCDMM Cc1cccc(COCc2cnc3n2CCN(Cc2c([O-])cccc2F)[C@H]3C)n1 ZINC001137834433 935813514 /nfs/dbraw/zinc/81/35/14/935813514.db2.gz GRMYJKZTEWKSQC-INIZCTEOSA-N -1 1 396.466 3.725 20 10 GHCDMM O=C(Nc1ccc2sc(Cl)nc2c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228386 1032464388 /nfs/dbraw/zinc/46/43/88/1032464388.db2.gz NOXMKPKJHMLGNQ-UHFFFAOYSA-N -1 1 388.788 3.720 20 10 GHCDMM Cc1cncc(COCc2cnc3n2CCN(Cc2cccc(F)c2[O-])[C@@H]3C)c1 ZINC001138127219 1024172673 /nfs/dbraw/zinc/17/26/73/1024172673.db2.gz TVSBZKOIXYBPKX-MRXNPFEDSA-N -1 1 396.466 3.725 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C[C@@H]21 ZINC001203635608 1027494713 /nfs/dbraw/zinc/49/47/13/1027494713.db2.gz BBNUKKMZSZHVDD-WFASDCNBSA-N -1 1 397.313 3.596 20 10 GHCDMM O=C1c2ccccc2N[C@H](c2cc(Cl)c(F)cc2[O-])N1C[C@H]1CCCO1 ZINC000840785197 1027822967 /nfs/dbraw/zinc/82/29/67/1027822967.db2.gz NKMBASUDFCETTR-ZMZPIMSZSA-N -1 1 376.815 3.930 20 10 GHCDMM COc1cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)ccc1Cl ZINC000840914150 1027950750 /nfs/dbraw/zinc/95/07/50/1027950750.db2.gz OPHCDHGNRWKTML-UHFFFAOYSA-N -1 1 385.869 3.780 20 10 GHCDMM C[C@@H]1[C@H](CO)CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979093 1028020541 /nfs/dbraw/zinc/02/05/41/1028020541.db2.gz RISVYJQFUJIOGB-ZJUUUORDSA-N -1 1 393.119 3.510 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cc2nc(Cl)ccc2s1 ZINC001214006464 1028504103 /nfs/dbraw/zinc/50/41/03/1028504103.db2.gz MNNWHTYSWZIKAO-UHFFFAOYSA-N -1 1 389.285 3.787 20 10 GHCDMM Cc1ccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c(Cl)c1 ZINC001217056809 1030130195 /nfs/dbraw/zinc/13/01/95/1030130195.db2.gz QZOINMVHWJGEAT-UHFFFAOYSA-N -1 1 385.851 3.903 20 10 GHCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1cccs1 ZINC001229787239 1033715133 /nfs/dbraw/zinc/71/51/33/1033715133.db2.gz SWSLALBGNKWBBW-VIFPVBQESA-N -1 1 388.397 3.647 20 10 GHCDMM O=c1cc2[nH]c(NCc3cc(Cl)c4cccnc4c3[O-])c(Cl)cc-2[nH]1 ZINC001157726242 1033741822 /nfs/dbraw/zinc/74/18/22/1033741822.db2.gz HQOXEPMPFAYSGO-UHFFFAOYSA-N -1 1 375.215 3.749 20 10 GHCDMM Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231445791 1034593877 /nfs/dbraw/zinc/59/38/77/1034593877.db2.gz AVZSIMNVRHHBGR-GOSISDBHSA-N -1 1 382.460 3.700 20 10 GHCDMM CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231453696 1034596253 /nfs/dbraw/zinc/59/62/53/1034596253.db2.gz OVBJHSMIKNUQPL-OAHLLOKOSA-N -1 1 392.496 3.559 20 10 GHCDMM CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231453696 1034596266 /nfs/dbraw/zinc/59/62/66/1034596266.db2.gz OVBJHSMIKNUQPL-OAHLLOKOSA-N -1 1 392.496 3.559 20 10 GHCDMM CS(=O)(=O)c1ccc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC001231913551 1034987845 /nfs/dbraw/zinc/98/78/45/1034987845.db2.gz MHXHNGWRYOPNNY-UHFFFAOYSA-N -1 1 379.909 3.829 20 10 GHCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001160600314 1035014179 /nfs/dbraw/zinc/01/41/79/1035014179.db2.gz SHYVSRQDXMOQHT-UHFFFAOYSA-N -1 1 391.594 3.896 20 10 GHCDMM COc1cc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc1Cl ZINC001232265792 1037986278 /nfs/dbraw/zinc/98/62/78/1037986278.db2.gz FREYMZRXRKBJOI-MRXNPFEDSA-N -1 1 382.888 3.543 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001233498847 1039393407 /nfs/dbraw/zinc/39/34/07/1039393407.db2.gz WMJBISNLTUDADE-MWTRTKDXSA-N -1 1 399.487 3.749 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCCC[C@](O)(C(F)(F)F)C1 ZINC001235058057 1040548753 /nfs/dbraw/zinc/54/87/53/1040548753.db2.gz VJUNKXQTPFUKOZ-CYBMUJFWSA-N -1 1 386.183 3.573 20 10 GHCDMM CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC001235063855 1040553152 /nfs/dbraw/zinc/55/31/52/1040553152.db2.gz BSFRJOJSRLKDLO-GOSISDBHSA-N -1 1 399.304 3.517 20 10 GHCDMM CCc1noc(C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)n1 ZINC001235066684 1040554268 /nfs/dbraw/zinc/55/42/68/1040554268.db2.gz LYXNHFXXMHQYLC-UHFFFAOYSA-N -1 1 384.249 3.619 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCn2cnc(COCC3CC3)c2C1 ZINC001236793343 1041898137 /nfs/dbraw/zinc/89/81/37/1041898137.db2.gz LNFYXKTYAUJZBV-UHFFFAOYSA-N -1 1 382.291 3.838 20 10 GHCDMM O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237080903 1042026884 /nfs/dbraw/zinc/02/68/84/1042026884.db2.gz HHEUYSIJDCAGCX-ZDUSSCGKSA-N -1 1 386.300 3.747 20 10 GHCDMM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237086582 1042029774 /nfs/dbraw/zinc/02/97/74/1042029774.db2.gz MNCGXPMSOJEHKJ-QZTJIDSGSA-N -1 1 396.270 3.814 20 10 GHCDMM C[C@H]1CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])[C@H]1CO ZINC001237784957 1042368676 /nfs/dbraw/zinc/36/86/76/1042368676.db2.gz ZPHRXMZICWUCQA-ZANVPECISA-N -1 1 382.220 3.766 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001237798797 1042375726 /nfs/dbraw/zinc/37/57/26/1042375726.db2.gz CMOWDOYNASYPNS-TZMCWYRMSA-N -1 1 384.879 3.874 20 10 GHCDMM COc1cccc(C(=O)NC2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)c1 ZINC001237801956 1042378075 /nfs/dbraw/zinc/37/80/75/1042378075.db2.gz JJZZYETXOQPVRX-UHFFFAOYSA-N -1 1 392.858 3.588 20 10 GHCDMM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(=O)c2ccccc2)c1 ZINC001260190472 1045406346 /nfs/dbraw/zinc/40/63/46/1045406346.db2.gz MWVVSJBQVQGHGC-UHFFFAOYSA-N -1 1 395.436 3.725 20 10 GHCDMM O=S(=O)([N-]c1ccc(F)c(Cl)c1Cl)c1cccc2nsnc21 ZINC001260388316 1045486366 /nfs/dbraw/zinc/48/63/66/1045486366.db2.gz AVQQGBQYEOXMGW-UHFFFAOYSA-N -1 1 378.237 3.938 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(Br)c2nccnc2c1 ZINC001305084955 1047887447 /nfs/dbraw/zinc/88/74/47/1047887447.db2.gz PIAZLMORURTNIL-UHFFFAOYSA-N -1 1 392.640 3.681 20 10 GHCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C)n1C[C@@H]1CCCOC1 ZINC001305084104 1047887723 /nfs/dbraw/zinc/88/77/23/1047887723.db2.gz GXDNXPFBOGDWMW-HNNXBMFYSA-N -1 1 376.884 3.821 20 10 GHCDMM O=C(NCc1cc(Br)cs1)NCc1cccc(Cl)c1[O-] ZINC001311452804 1052162559 /nfs/dbraw/zinc/16/25/59/1052162559.db2.gz QUYLTWNUXBIMTG-UHFFFAOYSA-N -1 1 375.675 3.869 20 10 GHCDMM Cc1nc2c(cccc2NC(=O)NCc2cccc(Br)c2[O-])o1 ZINC001466551109 1066188581 /nfs/dbraw/zinc/18/85/81/1066188581.db2.gz USERGOKTOTUEPC-UHFFFAOYSA-N -1 1 376.210 3.926 20 10 GHCDMM COC(=O)c1cc(NCc2cccc(Br)c2[O-])cc(C)c1[N+](=O)[O-] ZINC000764934330 1068103595 /nfs/dbraw/zinc/10/35/95/1068103595.db2.gz LDIRVHXMSJUGEO-UHFFFAOYSA-N -1 1 395.209 3.770 20 10 GHCDMM O=[N+]([O-])c1cccc2ncnc(NCc3cccc(Br)c3[O-])c21 ZINC000764933994 1068103779 /nfs/dbraw/zinc/10/37/79/1068103779.db2.gz HERUKQBQUGIEQV-UHFFFAOYSA-N -1 1 375.182 3.618 20 10 GHCDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(Br)c1[O-] ZINC000765751913 1068121179 /nfs/dbraw/zinc/12/11/79/1068121179.db2.gz UQBHNNMFCRGDEE-UHFFFAOYSA-N -1 1 399.628 3.575 20 10 GHCDMM CCOC(=O)[C@H](Cc1ccccc1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001460600163 1069017997 /nfs/dbraw/zinc/01/79/97/1069017997.db2.gz XTIBPYGTQYYLKO-SFHVURJKSA-N -1 1 375.852 3.512 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1[O-] ZINC001460770078 1069167602 /nfs/dbraw/zinc/16/76/02/1069167602.db2.gz ATKQCWNWTUPSGB-INIZCTEOSA-N -1 1 396.915 3.983 20 10 GHCDMM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])c2ccccc21 ZINC001472592019 1073566548 /nfs/dbraw/zinc/56/65/48/1073566548.db2.gz OXZBZYZBRSHEBT-ZFWWWQNUSA-N -1 1 387.407 3.537 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(N2CCOCC2)c(F)c1 ZINC001474053524 1074249424 /nfs/dbraw/zinc/24/94/24/1074249424.db2.gz CDHHMQYBPGSZRQ-UHFFFAOYSA-N -1 1 399.235 3.882 20 10 GHCDMM Cc1sc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)nc1-c1ccccc1 ZINC000738347397 600051466 /nfs/dbraw/zinc/05/14/66/600051466.db2.gz JWBZHCGNWFIBHF-UHFFFAOYSA-N -1 1 388.470 3.926 20 10 GHCDMM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)n2)cc1 ZINC000738493896 600052552 /nfs/dbraw/zinc/05/25/52/600052552.db2.gz ZWSWVVGKOCDMJX-UHFFFAOYSA-N -1 1 388.470 3.926 20 10 GHCDMM Cc1cc(C(=O)CN(CCC(=O)[O-])C2CCOCC2)c(C)n1-c1ccc(C)cc1 ZINC000832909249 601049295 /nfs/dbraw/zinc/04/92/95/601049295.db2.gz ABPYFMRAFFKNCP-UHFFFAOYSA-N -1 1 398.503 3.541 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@@H+](CC(=O)[O-])C2CC2)c(=O)c1-c1ccccc1 ZINC000738387356 601377652 /nfs/dbraw/zinc/37/76/52/601377652.db2.gz DSRYIJBUBKJYAG-UHFFFAOYSA-N -1 1 379.412 3.523 20 10 GHCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(OC(F)(F)F)cc1 ZINC000784906655 834529810 /nfs/dbraw/zinc/52/98/10/834529810.db2.gz FPGSWCSRWXCCLV-UHFFFAOYSA-N -1 1 398.333 3.700 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCn3c(nnc3-c3ccccc3)C2)c1[O-] ZINC000177359815 837932918 /nfs/dbraw/zinc/93/29/18/837932918.db2.gz WKNBYSBVVCEVPO-UHFFFAOYSA-N -1 1 382.851 3.523 20 10 GHCDMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cccc2nsnc21 ZINC000014254893 845963249 /nfs/dbraw/zinc/96/32/49/845963249.db2.gz PQFGONTYFLRNFO-UHFFFAOYSA-N -1 1 377.344 3.650 20 10 GHCDMM Cc1csc([C@@H](NC(=O)NCc2cccc(Br)c2[O-])C2CC2)n1 ZINC000277688633 847557431 /nfs/dbraw/zinc/55/74/31/847557431.db2.gz GLTOYHLKGGPKAN-ZDUSSCGKSA-N -1 1 396.310 3.870 20 10 GHCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1nc(C)cs1 ZINC000277818375 848120718 /nfs/dbraw/zinc/12/07/18/848120718.db2.gz WAIXMPLEOMWPJE-LBPRGKRZSA-N -1 1 384.299 3.870 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1sccc1OC(F)F ZINC000765755151 856016768 /nfs/dbraw/zinc/01/67/68/856016768.db2.gz GWLINJNVYPGWQU-UHFFFAOYSA-N -1 1 378.194 3.748 20 10 GHCDMM O=C(Cc1coc2cc(F)ccc12)NCc1cccc(Br)c1[O-] ZINC000765763515 856808026 /nfs/dbraw/zinc/80/80/26/856808026.db2.gz CKWQSEHPGVQALA-UHFFFAOYSA-N -1 1 378.197 3.899 20 10 GHCDMM CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765768135 857412523 /nfs/dbraw/zinc/41/25/23/857412523.db2.gz HKSHUOHGOJDFFB-OAHLLOKOSA-N -1 1 378.266 3.937 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCc2cc(F)ccc21 ZINC000764765301 859600269 /nfs/dbraw/zinc/60/02/69/859600269.db2.gz BIJCDMKEEOIQBS-OAHLLOKOSA-N -1 1 379.229 3.781 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1COc2ccccc21 ZINC000764798673 859613749 /nfs/dbraw/zinc/61/37/49/859613749.db2.gz HJDMKHKAXPXLRH-BXUZGUMPSA-N -1 1 391.265 3.519 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000764799967 859613917 /nfs/dbraw/zinc/61/39/17/859613917.db2.gz OEZNNQKPRRVMKE-BFYDXBDKSA-N -1 1 387.277 3.540 20 10 GHCDMM CCc1cnccc1[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764805268 859616420 /nfs/dbraw/zinc/61/64/20/859616420.db2.gz JVDVMRVGEABGAQ-NSHDSACASA-N -1 1 378.270 3.673 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccn1Cc1cccs1 ZINC000765726716 860492119 /nfs/dbraw/zinc/49/21/19/860492119.db2.gz JPWYQIUFCIRHLU-UHFFFAOYSA-N -1 1 391.290 3.996 20 10 GHCDMM CCn1cc(CC(=O)NCc2cccc(Br)c2[O-])c2ccccc21 ZINC000765731095 860506135 /nfs/dbraw/zinc/50/61/35/860506135.db2.gz GJQHVSLSUCENGO-UHFFFAOYSA-N -1 1 387.277 3.988 20 10 GHCDMM Cc1nc(-c2c[nH]c(C(=O)NCc3cccc(Br)c3[O-])c2)cs1 ZINC000765753839 860611075 /nfs/dbraw/zinc/61/10/75/860611075.db2.gz QOAPAUUPZBMSAQ-UHFFFAOYSA-N -1 1 392.278 3.845 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCCC[C@@H]1C(F)(F)F ZINC001237779981 864289800 /nfs/dbraw/zinc/28/98/00/864289800.db2.gz ODTNOFRYWXKYPE-LLVKDONJSA-N -1 1 385.167 3.914 20 10 GHCDMM CC(C)CN1C(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C(=O)[N-]C1=S ZINC000920975980 882495502 /nfs/dbraw/zinc/49/55/02/882495502.db2.gz FBQLYZJEVJRTNW-LDADJPATSA-N -1 1 394.500 3.625 20 10 GHCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000768198804 873136245 /nfs/dbraw/zinc/13/62/45/873136245.db2.gz KBHKMHGPQZHPCD-CYBMUJFWSA-N -1 1 380.366 3.532 20 10 GHCDMM O=C(Cc1ccc(NCc2cccc(Cl)c2[O-])cc1)N1CCSCC1 ZINC000775758323 873565221 /nfs/dbraw/zinc/56/52/21/873565221.db2.gz UKTWGXNLWHVQLC-UHFFFAOYSA-N -1 1 376.909 3.776 20 10 GHCDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000769868334 874310217 /nfs/dbraw/zinc/31/02/17/874310217.db2.gz IXNWACFVUCQRKM-UHFFFAOYSA-N -1 1 395.452 3.859 20 10 GHCDMM Cc1ccc(C(=O)N2CCOCC2)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC001201114896 875507289 /nfs/dbraw/zinc/50/72/89/875507289.db2.gz PSSPQFQUOLUUOB-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM Nc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000841979560 884446289 /nfs/dbraw/zinc/44/62/89/884446289.db2.gz YVARLYYLIFKCGF-MRXNPFEDSA-N -1 1 390.281 3.614 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1C(F)(F)F ZINC001142534413 884603475 /nfs/dbraw/zinc/60/34/75/884603475.db2.gz INZIBLRDEQCNQC-CQSZACIVSA-N -1 1 396.356 3.654 20 10 GHCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000761995335 885128889 /nfs/dbraw/zinc/12/88/89/885128889.db2.gz LUEARUDGKFMFMV-UHFFFAOYSA-N -1 1 377.462 3.694 20 10 GHCDMM Cc1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc(C(=O)[O-])c1Cl ZINC000762001667 885165685 /nfs/dbraw/zinc/16/56/85/885165685.db2.gz WAPFYYUFTNQLDZ-UHFFFAOYSA-N -1 1 399.852 3.640 20 10 GHCDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000322765603 886160572 /nfs/dbraw/zinc/16/05/72/886160572.db2.gz AOVZQQRNICAKPH-UHFFFAOYSA-N -1 1 377.205 3.716 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531821 887196235 /nfs/dbraw/zinc/19/62/35/887196235.db2.gz FQXNXBDAGAJRIJ-OXQOHEQNSA-N -1 1 382.504 3.936 20 10 GHCDMM O=C1CCC(=O)N1c1cc(NCc2cccc(Br)c2[O-])ccc1F ZINC000809721069 887746850 /nfs/dbraw/zinc/74/68/50/887746850.db2.gz LYMMKGVMBSPGEW-UHFFFAOYSA-N -1 1 393.212 3.559 20 10 GHCDMM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590427 889152141 /nfs/dbraw/zinc/15/21/41/889152141.db2.gz ZQJZZWNTQACCTJ-VIFPVBQESA-N -1 1 385.199 3.598 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCCc2n[nH]cc21 ZINC000811497617 889649507 /nfs/dbraw/zinc/64/95/07/889649507.db2.gz RREFKNHDZKULDS-UHFFFAOYSA-N -1 1 387.075 3.593 20 10 GHCDMM O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)C(F)(F)F ZINC000811514073 889710412 /nfs/dbraw/zinc/71/04/12/889710412.db2.gz BCSTVSATMMWKOZ-VIFPVBQESA-N -1 1 385.213 3.590 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)ccc1O ZINC001186772921 914796938 /nfs/dbraw/zinc/79/69/38/914796938.db2.gz CVSCWDAYVBZVIH-UHFFFAOYSA-N -1 1 397.758 3.754 20 10 GHCDMM C[C@H]1CC(CCNC(=O)NCc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000801787243 921498840 /nfs/dbraw/zinc/49/88/40/921498840.db2.gz GNDAZORYGOCFIJ-RYUDHWBXSA-N -1 1 385.302 3.548 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)ccc1[N+](=O)[O-] ZINC000775077083 914977075 /nfs/dbraw/zinc/97/70/75/914977075.db2.gz UYBSYTKHWOQQHL-INIZCTEOSA-N -1 1 396.802 3.675 20 10 GHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188249270 915823924 /nfs/dbraw/zinc/82/39/24/915823924.db2.gz ZHLWIGBJPKVDBG-UHFFFAOYSA-N -1 1 388.701 3.538 20 10 GHCDMM O=C(c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1)N1CCC[C@@H](CO)C1 ZINC000294353712 916759129 /nfs/dbraw/zinc/75/91/29/916759129.db2.gz SVKQNSYRHQGVAJ-CYBMUJFWSA-N -1 1 392.858 3.641 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc([C@H]2CCOC2)cc1 ZINC000297440366 919333019 /nfs/dbraw/zinc/33/30/19/919333019.db2.gz PRKMKDZEMNOESN-AWEZNQCLSA-N -1 1 391.265 3.980 20 10 GHCDMM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(Cl)c1[O-] ZINC001137438467 925789654 /nfs/dbraw/zinc/78/96/54/925789654.db2.gz LKJIDSWAVGRPCF-AWEZNQCLSA-N -1 1 395.286 3.799 20 10 GHCDMM CCOC(=O)[C@@]1(NCc2cc(Cl)cc(C(C)=O)c2[O-])CCc2ccccc21 ZINC000750046903 927403739 /nfs/dbraw/zinc/40/37/39/927403739.db2.gz HSOZDLXBMDKZHN-OAQYLSRUSA-N -1 1 387.863 3.743 20 10 GHCDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2csc(Cc3ccc(N)cc3)n2)c1 ZINC000751932289 928489021 /nfs/dbraw/zinc/48/90/21/928489021.db2.gz SUUGFHNZXHJDDM-UHFFFAOYSA-N -1 1 396.468 3.624 20 10 GHCDMM O=C(C=Cc1ccc2ccc(Cl)cc2n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782673759 931298085 /nfs/dbraw/zinc/29/80/85/931298085.db2.gz WAKGGWSRSYHEGS-SOFGYWHQSA-N -1 1 383.787 3.739 20 10 GHCDMM O=C(COC(=O)c1csc(-c2c(F)cccc2F)n1)c1ccc([O-])c(O)c1 ZINC000783373722 931528448 /nfs/dbraw/zinc/52/84/48/931528448.db2.gz WNSKQYIVSSGORA-UHFFFAOYSA-N -1 1 391.351 3.539 20 10 GHCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000783903748 931711522 /nfs/dbraw/zinc/71/15/22/931711522.db2.gz SVMCWBVCOJCRTM-XFFZJAGNSA-N -1 1 380.318 3.946 20 10 GHCDMM CC1(C)COc2cc(NC(=O)NCc3cccc(Cl)c3[O-])ccc2NC1=O ZINC000932186849 934843893 /nfs/dbraw/zinc/84/38/93/934843893.db2.gz SJGQIRLLBAIOLI-UHFFFAOYSA-N -1 1 389.839 3.724 20 10 GHCDMM CC1(C)CC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC(C)(C)N1O ZINC001227580323 1032471184 /nfs/dbraw/zinc/47/11/84/1032471184.db2.gz MGPNYKQVLBXXAJ-UHFFFAOYSA-N -1 1 395.455 3.957 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c([O-])cccc2Cl)CC1(F)F ZINC001140341558 1021452302 /nfs/dbraw/zinc/45/23/02/1021452302.db2.gz WDNYMOHRTXDAFX-AWEZNQCLSA-N -1 1 376.831 3.780 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1ccc(Cl)cc1[O-] ZINC001140468306 1021766136 /nfs/dbraw/zinc/76/61/36/1021766136.db2.gz FMFAUTMVXXLFJY-ZDUSSCGKSA-N -1 1 376.831 3.780 20 10 GHCDMM Cc1cnc(CC[N@@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])s1 ZINC000754791966 1022900056 /nfs/dbraw/zinc/90/00/56/1022900056.db2.gz GILAJKUKFCIRPU-UHFFFAOYSA-N -1 1 382.485 3.768 20 10 GHCDMM Cc1cnc(CC[N@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])s1 ZINC000754791966 1022900060 /nfs/dbraw/zinc/90/00/60/1022900060.db2.gz GILAJKUKFCIRPU-UHFFFAOYSA-N -1 1 382.485 3.768 20 10 GHCDMM COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000836636260 1023198469 /nfs/dbraw/zinc/19/84/69/1023198469.db2.gz HAPIXJOCBZUNSS-GOEBONIOSA-N -1 1 391.265 3.519 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141373211 1024762485 /nfs/dbraw/zinc/76/24/85/1024762485.db2.gz RWRNXYODEAFEJL-SNVBAGLBSA-N -1 1 390.705 3.972 20 10 GHCDMM Cc1ccnc(O[C@@H]2CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001141377514 1024774969 /nfs/dbraw/zinc/77/49/69/1024774969.db2.gz RDMFTEFXAMUCRH-CYBMUJFWSA-N -1 1 398.688 3.560 20 10 GHCDMM Cc1cccc(NC(=O)NC2CCN(Cc3c(F)ccc(F)c3[O-])CC2)c1 ZINC001139686749 1026538542 /nfs/dbraw/zinc/53/85/42/1026538542.db2.gz DGCWWUWNTOFADR-UHFFFAOYSA-N -1 1 375.419 3.765 20 10 GHCDMM COc1cnccc1Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC001211263551 1027870983 /nfs/dbraw/zinc/87/09/83/1027870983.db2.gz BTVWJRRHWMAVOK-QURGRASLSA-N -1 1 384.417 3.918 20 10 GHCDMM COc1ncccc1NCc1cc(Br)cc(Br)c1[O-] ZINC001461367624 1069521111 /nfs/dbraw/zinc/52/11/11/1069521111.db2.gz ZEQIWARMIQLZNK-UHFFFAOYSA-N -1 1 388.059 3.933 20 10 GHCDMM Cn1cnc2c1[C@@H](COCC1CCCC1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142513035 1029017148 /nfs/dbraw/zinc/01/71/48/1029017148.db2.gz UKRKHMFEHHAJHG-MRXNPFEDSA-N -1 1 391.462 3.710 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC001142520911 1029023646 /nfs/dbraw/zinc/02/36/46/1029023646.db2.gz RHJMNJPXAXZCGV-UHFFFAOYSA-N -1 1 397.263 3.751 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000842935872 1029697829 /nfs/dbraw/zinc/69/78/29/1029697829.db2.gz ILOJAZZMGPQRFM-YCRPNKLZSA-N -1 1 382.504 3.936 20 10 GHCDMM Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])c(O[C@@H]2CCOC2)c1 ZINC001223897737 1030800305 /nfs/dbraw/zinc/80/03/05/1030800305.db2.gz BPRPXMXYCPVUJF-MRXNPFEDSA-N -1 1 390.867 3.521 20 10 GHCDMM C[C@H]1CCC[C@H](C)C1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790894 1033717412 /nfs/dbraw/zinc/71/74/12/1033717412.db2.gz KIEFAMUHADHYFZ-QWRGUYRKSA-N -1 1 388.416 3.649 20 10 GHCDMM C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001230361950 1034013165 /nfs/dbraw/zinc/01/31/65/1034013165.db2.gz BFERXPFLQJUSTP-RYUDHWBXSA-N -1 1 385.892 3.537 20 10 GHCDMM CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001231566404 1034715138 /nfs/dbraw/zinc/71/51/38/1034715138.db2.gz IONKTOOJNIOWJX-UHFFFAOYSA-N -1 1 398.459 3.996 20 10 GHCDMM CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)c1 ZINC001231912846 1034986899 /nfs/dbraw/zinc/98/68/99/1034986899.db2.gz BGZHEJMSPDDWIG-HNNXBMFYSA-N -1 1 379.909 3.829 20 10 GHCDMM C[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC001462037011 1069960089 /nfs/dbraw/zinc/96/00/89/1069960089.db2.gz GCUSDRCQNDWETF-CYBMUJFWSA-N -1 1 382.229 3.566 20 10 GHCDMM CC(=O)N1CCCC[C@@]12CCCN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001233029386 1038780818 /nfs/dbraw/zinc/78/08/18/1038780818.db2.gz CCDBORLGMBBYTC-SFHVURJKSA-N -1 1 399.304 3.661 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2ccc(Cl)nc2)c1 ZINC001233308237 1039099571 /nfs/dbraw/zinc/09/95/71/1039099571.db2.gz IITTXJDJIYFUGY-UHFFFAOYSA-N -1 1 399.672 3.622 20 10 GHCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001233336227 1039137818 /nfs/dbraw/zinc/13/78/18/1039137818.db2.gz DDQDWSJXLIDTHC-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CC(C(=O)OCc2ccccc2)C1 ZINC001233497815 1039391211 /nfs/dbraw/zinc/39/12/11/1039391211.db2.gz RSQNQXDKFXCNHF-UHFFFAOYSA-N -1 1 384.428 3.981 20 10 GHCDMM O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795608 1041900762 /nfs/dbraw/zinc/90/07/62/1041900762.db2.gz IDMXPYHXNSPURK-CQSZACIVSA-N -1 1 386.300 3.747 20 10 GHCDMM COc1ccc(CN2CCCN(C(=O)C3CCCCC3)CC2)c([O-])c1Cl ZINC001236806811 1041907934 /nfs/dbraw/zinc/90/79/34/1041907934.db2.gz JKHLWKZUEQCPRL-UHFFFAOYSA-N -1 1 380.916 3.669 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001237121457 1042050050 /nfs/dbraw/zinc/05/00/50/1042050050.db2.gz OAAZTLYIPNZQNN-UHFFFAOYSA-N -1 1 389.780 3.921 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2Cl)C[C@H](F)C1 ZINC001237124774 1042052855 /nfs/dbraw/zinc/05/28/55/1042052855.db2.gz SEGFOYJRMKSWJK-NSHDSACASA-N -1 1 376.831 3.576 20 10 GHCDMM CCn1ncc2c1CN(Cc1c([O-])ccc(F)c1Cl)C[C@@H]2COCC1CC1 ZINC001237125416 1042053109 /nfs/dbraw/zinc/05/31/09/1042053109.db2.gz ZDUGPIWPSUAFOW-CQSZACIVSA-N -1 1 393.890 3.927 20 10 GHCDMM COc1ccc(OC)c(CN2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)c1 ZINC001237125662 1042054604 /nfs/dbraw/zinc/05/46/04/1042054604.db2.gz SBISIDHDRJGXQI-UHFFFAOYSA-N -1 1 394.874 3.520 20 10 GHCDMM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)c1ccccc1F ZINC001237623467 1042289394 /nfs/dbraw/zinc/28/93/94/1042289394.db2.gz NYDIUQQAOAERGH-UHFFFAOYSA-N -1 1 380.822 3.718 20 10 GHCDMM C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001237784918 1042368721 /nfs/dbraw/zinc/36/87/21/1042368721.db2.gz ZIRDZYOHGKHYJH-OTYXRUKQSA-N -1 1 382.220 3.766 20 10 GHCDMM O=C1CCC[C@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@H]12 ZINC001237786678 1042369522 /nfs/dbraw/zinc/36/95/22/1042369522.db2.gz PAULCXNDEPZRIV-CABZTGNLSA-N -1 1 392.215 3.975 20 10 GHCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237801833 1042377648 /nfs/dbraw/zinc/37/76/48/1042377648.db2.gz IVFIMNDOYYDYAF-NSHDSACASA-N -1 1 391.752 3.647 20 10 GHCDMM [O-]c1ccc(Br)c(CN2CCCc3cc(O)c(O)cc3C2)c1F ZINC001238310184 1042550259 /nfs/dbraw/zinc/55/02/59/1042550259.db2.gz BBKGOBNONIIQGM-UHFFFAOYSA-N -1 1 382.229 3.653 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC001256699932 1043630595 /nfs/dbraw/zinc/63/05/95/1043630595.db2.gz LNKHFZUGHDCLQO-UHFFFAOYSA-N -1 1 397.839 3.916 20 10 GHCDMM CS(=O)(=O)[N-]c1ccsc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256981387 1043782426 /nfs/dbraw/zinc/78/24/26/1043782426.db2.gz LHZMOJQKXKODTI-UHFFFAOYSA-N -1 1 386.458 3.627 20 10 GHCDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccncc2)cc1 ZINC001259407771 1045131000 /nfs/dbraw/zinc/13/10/00/1045131000.db2.gz BNOVWNSAIRHYDO-UHFFFAOYSA-N -1 1 396.468 3.901 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1Cl ZINC001260433871 1045494696 /nfs/dbraw/zinc/49/46/96/1045494696.db2.gz LAPZXDNEUYQHOE-UHFFFAOYSA-N -1 1 382.652 3.537 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc([N-]S(=O)(=O)Cc3ccccc3F)ccc21 ZINC001260621500 1045576472 /nfs/dbraw/zinc/57/64/72/1045576472.db2.gz MAJGNNKKSMMCAM-UHFFFAOYSA-N -1 1 395.411 3.543 20 10 GHCDMM COc1ccccc1NC(=O)c1c(C)[nH]nc1NCc1cccc(Cl)c1[O-] ZINC001308978940 1050241330 /nfs/dbraw/zinc/24/13/30/1050241330.db2.gz LQYMKBGQDDDGAA-UHFFFAOYSA-N -1 1 386.839 3.950 20 10 GHCDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O)c(COC(C)C)c3)cc2o1 ZINC001343581699 1053904830 /nfs/dbraw/zinc/90/48/30/1053904830.db2.gz ORARAPFCEYOZSJ-UHFFFAOYSA-N -1 1 376.434 3.568 20 10 GHCDMM C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccc(N2CCOCC2)cc1 ZINC001442416043 1058960911 /nfs/dbraw/zinc/96/09/11/1058960911.db2.gz YFRDTNLBHYVMIT-HNNXBMFYSA-N -1 1 392.455 3.579 20 10 GHCDMM CCOc1cc(C(=O)OC)ccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001467286562 1067198796 /nfs/dbraw/zinc/19/87/96/1067198796.db2.gz FUNVMGIKMTZICB-UHFFFAOYSA-N -1 1 378.812 3.553 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(Nc2cnccn2)c1 ZINC001467763172 1067457338 /nfs/dbraw/zinc/45/73/38/1067457338.db2.gz DTKHWVGNPIPSCL-UHFFFAOYSA-N -1 1 399.248 3.618 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000764765863 1068101432 /nfs/dbraw/zinc/10/14/32/1068101432.db2.gz VZDVZMZTCOQMAQ-JTQLQIEISA-N -1 1 394.225 3.623 20 10 GHCDMM CN1C(=O)C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])[C@H]1c1cccc(Cl)c1 ZINC001472316886 1073418131 /nfs/dbraw/zinc/41/81/31/1073418131.db2.gz LCAJXCPFUYBJKA-RHSMWYFYSA-N -1 1 393.270 3.535 20 10 GHCDMM CC(C)COC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000728196000 835094038 /nfs/dbraw/zinc/09/40/38/835094038.db2.gz NBFOEDNCNSQNMA-UHFFFAOYSA-N -1 1 383.488 3.966 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nc([C@H](C)OCC(C)C)no2)c1[O-] ZINC000177361427 836400918 /nfs/dbraw/zinc/40/09/18/836400918.db2.gz MKPNOWNDIVVKAX-ZDUSSCGKSA-N -1 1 395.887 3.997 20 10 GHCDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c(C)n1-c1ccccc1C ZINC000067078581 844561346 /nfs/dbraw/zinc/56/13/46/844561346.db2.gz XIXZAFVUZBOWBM-UHFFFAOYSA-N -1 1 395.532 3.964 20 10 GHCDMM CO[C@H](C)c1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765770262 857667952 /nfs/dbraw/zinc/66/79/52/857667952.db2.gz NQOMMSMCCQPKBX-SECBINFHSA-N -1 1 385.283 3.557 20 10 GHCDMM Cc1cc(C)cc(OCCNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764766243 859594565 /nfs/dbraw/zinc/59/45/65/859594565.db2.gz GRBWKDQSCYMIGC-UHFFFAOYSA-N -1 1 393.281 3.650 20 10 GHCDMM Cc1cccc(OC[C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764763381 859599020 /nfs/dbraw/zinc/59/90/20/859599020.db2.gz LDFMXVXQUCWZJH-CYBMUJFWSA-N -1 1 393.281 3.730 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC1CC(c2ccccc2)C1 ZINC000764778826 859608193 /nfs/dbraw/zinc/60/81/93/859608193.db2.gz IYEULNVDJJURLL-UHFFFAOYSA-N -1 1 375.266 3.900 20 10 GHCDMM Cc1ccccc1O[C@@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764792863 859611185 /nfs/dbraw/zinc/61/11/85/859611185.db2.gz XTFKAVBSNBTBII-ZDUSSCGKSA-N -1 1 393.281 3.730 20 10 GHCDMM O=C(NCCc1cc2ccccc2[nH]1)NCc1cccc(Br)c1[O-] ZINC000764798611 859611692 /nfs/dbraw/zinc/61/16/92/859611692.db2.gz GFVYUIINLAIADM-UHFFFAOYSA-N -1 1 388.265 3.678 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCC2(CCCCC2)O1 ZINC000764809208 859624691 /nfs/dbraw/zinc/62/46/91/859624691.db2.gz XBDYSNHGSAKOMC-AWEZNQCLSA-N -1 1 397.313 3.836 20 10 GHCDMM CC(C)(C)c1nnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765252420 859867865 /nfs/dbraw/zinc/86/78/65/859867865.db2.gz PRJGKTIEJLXMDO-UHFFFAOYSA-N -1 1 385.287 3.625 20 10 GHCDMM Cc1c(NC(=O)NCc2cccc(Br)c2[O-])cnn1CC(C)C ZINC000765328204 859910393 /nfs/dbraw/zinc/91/03/93/859910393.db2.gz PRTWNGSUMFYPJG-UHFFFAOYSA-N -1 1 381.274 3.637 20 10 GHCDMM C[C@H](C1CC1)n1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765360538 859927843 /nfs/dbraw/zinc/92/78/43/859927843.db2.gz ARXLURVNJYKXDO-SNVBAGLBSA-N -1 1 379.258 3.644 20 10 GHCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000765476736 859987150 /nfs/dbraw/zinc/98/71/50/859987150.db2.gz RMNXHQALYKZNDR-LLVKDONJSA-N -1 1 381.245 3.897 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2cccs2)n[nH]1 ZINC000765737295 860532646 /nfs/dbraw/zinc/53/26/46/860532646.db2.gz ULANKOHZNGBENO-UHFFFAOYSA-N -1 1 378.251 3.536 20 10 GHCDMM CCCOc1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752872 860567135 /nfs/dbraw/zinc/56/71/35/860567135.db2.gz ZOUKGSYAOWHDNO-UHFFFAOYSA-N -1 1 378.266 3.802 20 10 GHCDMM COCCCOc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752548 860569638 /nfs/dbraw/zinc/56/96/38/860569638.db2.gz XHFBMGPNGHVIOX-UHFFFAOYSA-N -1 1 394.265 3.500 20 10 GHCDMM Cc1ccccc1OCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765753616 860578509 /nfs/dbraw/zinc/57/85/09/860578509.db2.gz OPIBREBAFFAGQD-UHFFFAOYSA-N -1 1 378.266 3.939 20 10 GHCDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(C)cc1Br ZINC000735027328 864583871 /nfs/dbraw/zinc/58/38/71/864583871.db2.gz IYDVJCLXFCWCOT-UHFFFAOYSA-N -1 1 384.251 3.595 20 10 GHCDMM CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])cc1 ZINC000740921547 866107697 /nfs/dbraw/zinc/10/76/97/866107697.db2.gz TXNRNQPUDQZJJM-UHFFFAOYSA-N -1 1 385.464 3.735 20 10 GHCDMM O=C(Nc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1)C1=S=CC=C1 ZINC000445451680 868432866 /nfs/dbraw/zinc/43/28/66/868432866.db2.gz IVMFBYWWIWBLJO-UHFFFAOYSA-N -1 1 397.843 3.979 20 10 GHCDMM COC(=O)c1sc2nc(C)ccc2c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193220906 870953012 /nfs/dbraw/zinc/95/30/12/870953012.db2.gz ZNCVXNLTMHKZCY-UHFFFAOYSA-N -1 1 392.820 3.708 20 10 GHCDMM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775668358 872562655 /nfs/dbraw/zinc/56/26/55/872562655.db2.gz XIVJHEQJWJDWNH-HNNXBMFYSA-N -1 1 381.810 3.720 20 10 GHCDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000320772552 874900752 /nfs/dbraw/zinc/90/07/52/874900752.db2.gz QVPQQILBQKIRNM-UHFFFAOYSA-N -1 1 377.205 3.716 20 10 GHCDMM [O-]c1c(Cl)cccc1CNCc1cn(-c2ccccc2Br)nn1 ZINC000776173725 875691620 /nfs/dbraw/zinc/69/16/20/875691620.db2.gz HTTHQBIQHASVSX-UHFFFAOYSA-N -1 1 393.672 3.679 20 10 GHCDMM COc1ccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC000776473079 876850200 /nfs/dbraw/zinc/85/02/00/876850200.db2.gz QVSRKKFQULQUJF-UHFFFAOYSA-N -1 1 394.393 3.818 20 10 GHCDMM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1c([O-])c(O)ccc1F ZINC001183085930 912241167 /nfs/dbraw/zinc/24/11/67/912241167.db2.gz SUDPQNYNEYAQHY-SECBINFHSA-N -1 1 385.222 3.552 20 10 GHCDMM O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1c(F)ccc(O)c1[O-] ZINC000789976695 879374196 /nfs/dbraw/zinc/37/41/96/879374196.db2.gz LVFLTXJITFZMMY-UHFFFAOYSA-N -1 1 391.402 3.565 20 10 GHCDMM Cn1cc([C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccc(F)cc2)cn1 ZINC000187520374 883797793 /nfs/dbraw/zinc/79/77/93/883797793.db2.gz DLIQJDRTUVTTGQ-QGZVFWFLSA-N -1 1 390.802 3.706 20 10 GHCDMM Cc1cc(C(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154872 884238351 /nfs/dbraw/zinc/23/83/51/884238351.db2.gz FPZXHFJTWOBSCI-AUUYWEPGSA-N -1 1 382.504 3.936 20 10 GHCDMM CCN(CC)CC(=O)Nc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000806181667 884424099 /nfs/dbraw/zinc/42/40/99/884424099.db2.gz GSCUWVSIWIVLGN-AWEZNQCLSA-N -1 1 386.452 3.754 20 10 GHCDMM O=C(CCCN1CCN(Cc2cc(F)c(F)cc2[O-])CC1)c1ccc(F)cc1 ZINC001142534599 884603318 /nfs/dbraw/zinc/60/33/18/884603318.db2.gz PHWIFOVLYTYJQV-UHFFFAOYSA-N -1 1 392.421 3.590 20 10 GHCDMM COc1cc(NCc2cccc(Br)c2[O-])ncc1Br ZINC000762625772 886559736 /nfs/dbraw/zinc/55/97/36/886559736.db2.gz QUYLFKVQWJOBLT-UHFFFAOYSA-N -1 1 388.059 3.933 20 10 GHCDMM Cc1nn(C)c(CNCc2cc(Cl)cc(Cl)c2[O-])c1Br ZINC000809775638 887765444 /nfs/dbraw/zinc/76/54/44/887765444.db2.gz GZUXNBGKIPHDHI-UHFFFAOYSA-N -1 1 379.085 3.793 20 10 GHCDMM CC(C)(C)Oc1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000816496455 894862668 /nfs/dbraw/zinc/86/26/68/894862668.db2.gz LDMUHCXOTLTDFD-UHFFFAOYSA-N -1 1 379.254 3.657 20 10 GHCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)ccc1O ZINC000772903151 900835380 /nfs/dbraw/zinc/83/53/80/900835380.db2.gz DLTVEZHYGSHNNR-UHFFFAOYSA-N -1 1 376.217 3.506 20 10 GHCDMM NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1c(F)ccc([O-])c1F ZINC001175268836 907479841 /nfs/dbraw/zinc/47/98/41/907479841.db2.gz YHQRPHZXQYJFEN-UHFFFAOYSA-N -1 1 382.366 3.673 20 10 GHCDMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)n1-c1cccc(C(C)C)c1 ZINC000774005795 911227529 /nfs/dbraw/zinc/22/75/29/911227529.db2.gz UBGPEKQZIQQRRK-AWEZNQCLSA-N -1 1 380.496 3.606 20 10 GHCDMM COc1c([O-])c(CN2Cc3ccc(Br)cc3C2)ccc1[N+](=O)[O-] ZINC000775068286 914948598 /nfs/dbraw/zinc/94/85/98/914948598.db2.gz LFQDTYXWTFRZFT-UHFFFAOYSA-N -1 1 379.210 3.587 20 10 GHCDMM CCOC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])c1ccccc1 ZINC000775082478 915003659 /nfs/dbraw/zinc/00/36/59/915003659.db2.gz FUKJOLIYFZYGNK-MRXNPFEDSA-N -1 1 378.266 3.857 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cc(F)c(Br)c(F)c1 ZINC001189036842 916357456 /nfs/dbraw/zinc/35/74/56/916357456.db2.gz NVUCVLVWGBGISB-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000115854622 919474433 /nfs/dbraw/zinc/47/44/33/919474433.db2.gz OSYKNVOWMGHIGB-UHFFFAOYSA-N -1 1 395.503 3.571 20 10 GHCDMM COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)cc(C(C)=O)c1O ZINC000750820308 927872680 /nfs/dbraw/zinc/87/26/80/927872680.db2.gz OOZQUTAUAWDBHV-UHFFFAOYSA-N -1 1 395.377 3.577 20 10 GHCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(Br)c(Cl)c1 ZINC000751538937 928238759 /nfs/dbraw/zinc/23/87/59/928238759.db2.gz SRWQBJBVAJFFTB-UHFFFAOYSA-N -1 1 390.642 3.632 20 10 GHCDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000758397521 930032423 /nfs/dbraw/zinc/03/24/23/930032423.db2.gz QQVPJDUASKKPPY-UHFFFAOYSA-N -1 1 375.450 3.613 20 10 GHCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(Br)c1 ZINC000783375217 931529315 /nfs/dbraw/zinc/52/93/15/931529315.db2.gz PHYDHNKJDQOQSU-UHFFFAOYSA-N -1 1 393.233 3.564 20 10 GHCDMM C[C@](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)(C(=O)[O-])c1ccccc1 ZINC001589054959 955685575 /nfs/dbraw/zinc/68/55/75/955685575.db2.gz BJZMWAVRQDKTDK-GOSISDBHSA-N -1 1 397.258 3.541 20 10 GHCDMM CN(Cc1ccc(N2CCCCC2)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001598519272 992658767 /nfs/dbraw/zinc/65/87/67/992658767.db2.gz PZUYLFFYZHQVNI-UHFFFAOYSA-N -1 1 378.476 3.814 20 10 GHCDMM CC[C@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155224329 1032463466 /nfs/dbraw/zinc/46/34/66/1032463466.db2.gz CMNJTIROIPYZSR-LHSJRXKWSA-N -1 1 389.448 3.608 20 10 GHCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001155226262 1032463510 /nfs/dbraw/zinc/46/35/10/1032463510.db2.gz SGOAUBBGULKFMT-KRWDZBQOSA-N -1 1 390.395 3.663 20 10 GHCDMM C[C@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1ccccc1C(F)(F)F ZINC001155234667 1032465387 /nfs/dbraw/zinc/46/53/87/1032465387.db2.gz RPAALDLNPOAIST-VIFPVBQESA-N -1 1 393.317 3.714 20 10 GHCDMM CC(C)(C)C(=O)OC1CC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227580008 1032470230 /nfs/dbraw/zinc/47/02/30/1032470230.db2.gz DLGARASALBYFIQ-UHFFFAOYSA-N -1 1 394.423 3.667 20 10 GHCDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580572 1032470771 /nfs/dbraw/zinc/47/07/71/1032470771.db2.gz REBGDZKRPSWLOP-LBPRGKRZSA-N -1 1 382.412 3.667 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(Cl)cc2[O-])CC1(F)F ZINC001140465892 1021760300 /nfs/dbraw/zinc/76/03/00/1021760300.db2.gz UGYDBMMYXPBZSD-AWEZNQCLSA-N -1 1 376.831 3.780 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000754783595 1022892756 /nfs/dbraw/zinc/89/27/56/1022892756.db2.gz MSPCPVAXUVQJCG-SFHVURJKSA-N -1 1 381.472 3.577 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000754783595 1022892778 /nfs/dbraw/zinc/89/27/78/1022892778.db2.gz MSPCPVAXUVQJCG-SFHVURJKSA-N -1 1 381.472 3.577 20 10 GHCDMM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203582202 1027450844 /nfs/dbraw/zinc/45/08/44/1027450844.db2.gz WKNJONMSUHQFCQ-AWEZNQCLSA-N -1 1 389.323 3.595 20 10 GHCDMM O=C1c2ccccc2CN1[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203584548 1027452535 /nfs/dbraw/zinc/45/25/35/1027452535.db2.gz CAVIMCGDTLDRDO-HNNXBMFYSA-N -1 1 377.271 3.929 20 10 GHCDMM O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399260 1027490045 /nfs/dbraw/zinc/49/00/45/1027490045.db2.gz UCGOXVFLDXGPJW-UHFFFAOYSA-N -1 1 392.367 3.902 20 10 GHCDMM CCCOc1ccc(C(=O)[O-])cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841810685 1028958068 /nfs/dbraw/zinc/95/80/68/1028958068.db2.gz KQOVRCNGZUQPDQ-UHFFFAOYSA-N -1 1 383.492 3.538 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(F)c(F)cc1[O-] ZINC001142530980 1029034171 /nfs/dbraw/zinc/03/41/71/1029034171.db2.gz NBJZHXCLZFSIML-SFHVURJKSA-N -1 1 375.415 3.939 20 10 GHCDMM Cn1ccc(-c2ccc(Nc3cc4c(cc3[O-])C(=O)c3ccccc3C4=O)cn2)n1 ZINC001216560672 1029687100 /nfs/dbraw/zinc/68/71/00/1029687100.db2.gz QDUOJTRAFZYAFV-UHFFFAOYSA-N -1 1 396.406 3.707 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3cccc4ccoc43)no2)cc1CN1CCOCC1 ZINC001217056128 1030128996 /nfs/dbraw/zinc/12/89/96/1030128996.db2.gz FFGBDIARNXWXHS-UHFFFAOYSA-N -1 1 377.400 3.688 20 10 GHCDMM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)cc(Br)c1[O-] ZINC001276943801 1030872321 /nfs/dbraw/zinc/87/23/21/1030872321.db2.gz CLMHMUBFGCDOTD-HZPDHXFCSA-N -1 1 399.304 3.515 20 10 GHCDMM CCCCC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785710 1033711353 /nfs/dbraw/zinc/71/13/53/1033711353.db2.gz JDQXSHKHNSOESH-LLVKDONJSA-N -1 1 376.405 3.793 20 10 GHCDMM CC(C)C[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786671 1033712333 /nfs/dbraw/zinc/71/23/33/1033712333.db2.gz PCZKLBWHDLOQNO-KRWDZBQOSA-N -1 1 390.432 3.895 20 10 GHCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001229786094 1033712644 /nfs/dbraw/zinc/71/26/44/1033712644.db2.gz LYFXAOUUNJVWPB-NSHDSACASA-N -1 1 382.368 3.586 20 10 GHCDMM Cc1c([O-])cc2c(c1O[C@@H]1CCCC3(C1)OCCO3)C(=O)c1ccccc1C2=O ZINC001229829646 1033739380 /nfs/dbraw/zinc/73/93/80/1033739380.db2.gz WWNNDTAEACDELG-CQSZACIVSA-N -1 1 394.423 3.541 20 10 GHCDMM COC(=O)[C@H]1c2ccccc2CCN1Cc1cc(C)cc(Br)c1[O-] ZINC001461922748 1069887425 /nfs/dbraw/zinc/88/74/25/1069887425.db2.gz ZRYFGUCKXOAESQ-QGZVFWFLSA-N -1 1 390.277 3.736 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001231911168 1034986142 /nfs/dbraw/zinc/98/61/42/1034986142.db2.gz DUCTYANVRBZTGS-URLQWDBASA-N -1 1 394.924 3.698 20 10 GHCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc(F)c(Br)cc1F ZINC001161655678 1035280180 /nfs/dbraw/zinc/28/01/80/1035280180.db2.gz CCKAFVIQIXGUIR-ZCFIWIBFSA-N -1 1 390.155 3.769 20 10 GHCDMM Cc1cccc(N2CCCN(Cc3c([O-])cc(Br)cc3F)CC2)n1 ZINC001233029431 1038780641 /nfs/dbraw/zinc/78/06/41/1038780641.db2.gz DTHUZAAJUGPNGK-UHFFFAOYSA-N -1 1 394.288 3.710 20 10 GHCDMM CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1c([O-])cc(Br)cc1F ZINC001233030442 1038781570 /nfs/dbraw/zinc/78/15/70/1038781570.db2.gz TWYCBJMVDJOUFQ-LBPRGKRZSA-N -1 1 388.277 3.990 20 10 GHCDMM CC(=O)N1CCCCC12CCN(Cc1c([O-])cc(Br)cc1F)CC2 ZINC001233030841 1038783067 /nfs/dbraw/zinc/78/30/67/1038783067.db2.gz OYTQPGDEIFOYET-UHFFFAOYSA-N -1 1 399.304 3.661 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2ccccc2F)c1 ZINC001233307386 1039097708 /nfs/dbraw/zinc/09/77/08/1039097708.db2.gz ANTJCIPTDSHLLB-UHFFFAOYSA-N -1 1 382.229 3.712 20 10 GHCDMM [O-]c1ccc(F)c(F)c1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001233334558 1039135725 /nfs/dbraw/zinc/13/57/25/1039135725.db2.gz LNHFRUWSUGYGMD-UHFFFAOYSA-N -1 1 397.263 3.751 20 10 GHCDMM O=C(c1ccccc1F)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233417642 1039277933 /nfs/dbraw/zinc/27/79/33/1039277933.db2.gz BZDPVCPPAAQNNR-UHFFFAOYSA-N -1 1 382.357 3.508 20 10 GHCDMM [O-]c1c(CN2CCCn3cnc(COCC4CC4)c3C2)cccc1C(F)(F)F ZINC001233417985 1039278293 /nfs/dbraw/zinc/27/82/93/1039278293.db2.gz PBQXOZDDPFROGV-UHFFFAOYSA-N -1 1 395.425 3.940 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001233496323 1039389792 /nfs/dbraw/zinc/38/97/92/1039389792.db2.gz DXHPRJDIGDEIBU-WURKVNMJSA-N -1 1 391.464 3.715 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001234477049 1040060418 /nfs/dbraw/zinc/06/04/18/1040060418.db2.gz QSNRFDDUFIDOHX-IBGZPJMESA-N -1 1 396.395 3.568 20 10 GHCDMM COc1ccc(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c([O-])c1Cl ZINC001236811084 1041911165 /nfs/dbraw/zinc/91/11/65/1041911165.db2.gz GLSIHKFYNGNSQJ-UHFFFAOYSA-N -1 1 382.888 3.543 20 10 GHCDMM COCCOc1ccccc1N1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237128544 1042055084 /nfs/dbraw/zinc/05/50/84/1042055084.db2.gz RKDWBKBNIKPPLO-UHFFFAOYSA-N -1 1 394.874 3.532 20 10 GHCDMM O=C1c2cccc(F)c2CN1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237624076 1042290571 /nfs/dbraw/zinc/29/05/71/1042290571.db2.gz XFGDCXZTAZFDPW-CQSZACIVSA-N -1 1 392.833 3.944 20 10 GHCDMM C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001237784067 1042367706 /nfs/dbraw/zinc/36/77/06/1042367706.db2.gz PEUTYPBTNFUGOV-RNCFNFMXSA-N -1 1 382.220 3.766 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCC1(F)F ZINC001237939948 1042430290 /nfs/dbraw/zinc/43/02/90/1042430290.db2.gz IHOFKUAUIKYMPZ-AWEZNQCLSA-N -1 1 394.821 3.919 20 10 GHCDMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC001256860222 1043705797 /nfs/dbraw/zinc/70/57/97/1043705797.db2.gz JACKKEHZFYBEIV-UHFFFAOYSA-N -1 1 377.421 3.571 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc21 ZINC001259084122 1044954036 /nfs/dbraw/zinc/95/40/36/1044954036.db2.gz KKEZFKRPUBLHBE-UHFFFAOYSA-N -1 1 399.374 3.541 20 10 GHCDMM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1cc(Cl)c(F)cc1F ZINC001260206843 1045413855 /nfs/dbraw/zinc/41/38/55/1045413855.db2.gz CNBXHCSQXAVRCG-UHFFFAOYSA-N -1 1 383.803 3.956 20 10 GHCDMM CC[C@H](C)S(=O)(=O)[N-]c1cccc2c1C(=O)c1cccc(Cl)c1C2=O ZINC001260740556 1045634927 /nfs/dbraw/zinc/63/49/27/1045634927.db2.gz RITJHHCZTYAQAY-JTQLQIEISA-N -1 1 377.849 3.656 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccc(Cl)s3)C2)ccc1[N+](=O)[O-] ZINC001320899377 1056006177 /nfs/dbraw/zinc/00/61/77/1056006177.db2.gz IYDLIWOJRDNAIP-GFCCVEGCSA-N -1 1 384.841 3.597 20 10 GHCDMM CCOc1ccc(N2CCN(C(=O)c3ccc4ccc(O)cc4c3[O-])CC2)cc1 ZINC001545931475 1058513877 /nfs/dbraw/zinc/51/38/77/1058513877.db2.gz JUYHFMLQFXOUQN-UHFFFAOYSA-N -1 1 392.455 3.612 20 10 GHCDMM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC001457659579 1063298894 /nfs/dbraw/zinc/29/88/94/1063298894.db2.gz NMKXHGIYVNNNOY-GFCCVEGCSA-N -1 1 393.842 3.994 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000765942438 1068125636 /nfs/dbraw/zinc/12/56/36/1068125636.db2.gz CBAQZWLRIZYDRU-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(Cl)c2[O-])CC2(CCC2)C1 ZINC001472316719 1073416742 /nfs/dbraw/zinc/41/67/42/1073416742.db2.gz FEDGPJKVSIZFAA-UHFFFAOYSA-N -1 1 394.899 3.889 20 10 GHCDMM Cc1ccc(-c2nc(SCC(=O)NCc3cccc(Cl)c3[O-])n[nH]2)cc1 ZINC001472317021 1073417611 /nfs/dbraw/zinc/41/76/11/1073417611.db2.gz RLAYJVZCNAFNES-UHFFFAOYSA-N -1 1 388.880 3.548 20 10 GHCDMM CCCCOc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC001472491780 1073510929 /nfs/dbraw/zinc/51/09/29/1073510929.db2.gz WSSYTCIZJZJRDW-LBPRGKRZSA-N -1 1 377.412 3.915 20 10 GHCDMM COC(=O)[C@@](C)(NCc1ccc(Cl)cc1[O-])c1cccc(Br)c1 ZINC001474718927 1074532474 /nfs/dbraw/zinc/53/24/74/1074532474.db2.gz JTXSUUQINOXHIL-KRWDZBQOSA-N -1 1 398.684 3.986 20 10 GHCDMM Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c(C)c1 ZINC000738357578 600055002 /nfs/dbraw/zinc/05/50/02/600055002.db2.gz KDZORDOBKPQKPE-UHFFFAOYSA-N -1 1 391.474 3.562 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(c2cncc(Br)c2)CC1 ZINC000890759107 836698844 /nfs/dbraw/zinc/69/88/44/836698844.db2.gz CFERRQNDXKISPT-UHFFFAOYSA-N -1 1 381.657 3.551 20 10 GHCDMM Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078713 844562493 /nfs/dbraw/zinc/56/24/93/844562493.db2.gz RVGZLJNFZJQWEA-UHFFFAOYSA-N -1 1 387.534 3.717 20 10 GHCDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c(C)n1-c1cccc(C)c1 ZINC000067079110 844563140 /nfs/dbraw/zinc/56/31/40/844563140.db2.gz QKHSTXWSMYOMQM-UHFFFAOYSA-N -1 1 395.532 3.964 20 10 GHCDMM COc1cc([C@@H](C)NC(=O)NCc2cccc(Cl)c2[O-])cc(OC)c1OC ZINC000891898398 843713711 /nfs/dbraw/zinc/71/37/11/843713711.db2.gz GWYXUGLJRPZECL-LLVKDONJSA-N -1 1 394.855 3.632 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCC1(c2ccc(F)cc2)CC1 ZINC000764762483 859598017 /nfs/dbraw/zinc/59/80/17/859598017.db2.gz GLZKWNNHAIRCHV-UHFFFAOYSA-N -1 1 393.256 3.825 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1COc2ccccc21 ZINC000764798677 859613608 /nfs/dbraw/zinc/61/36/08/859613608.db2.gz HJDMKHKAXPXLRH-RISCZKNCSA-N -1 1 391.265 3.519 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000764785138 859618178 /nfs/dbraw/zinc/61/81/78/859618178.db2.gz SMEICUAEELJOFC-GOEBONIOSA-N -1 1 375.266 3.585 20 10 GHCDMM COc1c(F)cc(NC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765252989 859866636 /nfs/dbraw/zinc/86/66/36/859866636.db2.gz QUQFFKUYXJJSPI-UHFFFAOYSA-N -1 1 387.180 3.763 20 10 GHCDMM CCC(CC)[C@H](CCNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000765531519 860102221 /nfs/dbraw/zinc/10/22/21/860102221.db2.gz CCPSBWKVIAXMQL-HNNXBMFYSA-N -1 1 387.318 3.795 20 10 GHCDMM COc1ccc(S[C@H](C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765727239 860483226 /nfs/dbraw/zinc/48/32/26/860483226.db2.gz LAGZJWUHGONAFO-LLVKDONJSA-N -1 1 396.306 3.960 20 10 GHCDMM Cc1nn(-c2ccccc2)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765731087 860506426 /nfs/dbraw/zinc/50/64/26/860506426.db2.gz GFWHXEKSSLFZPZ-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM CC(C)N(Cc1ccc(N(C)C)cc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735295850 864714025 /nfs/dbraw/zinc/71/40/25/864714025.db2.gz BKELGVRPYLHZJU-UHFFFAOYSA-N -1 1 382.537 3.937 20 10 GHCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)cc1 ZINC000741136193 866262804 /nfs/dbraw/zinc/26/28/04/866262804.db2.gz JESCLCRUSBGWPH-UHFFFAOYSA-N -1 1 388.489 3.654 20 10 GHCDMM O=C1OCCN1c1cc(NCc2cccc(Br)c2[O-])ccc1F ZINC000793318708 882096858 /nfs/dbraw/zinc/09/68/58/882096858.db2.gz ICDLTNQJUIDHIA-UHFFFAOYSA-N -1 1 381.201 3.863 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@H]2CC2CCCCC2)c1[O-] ZINC001195249130 872279090 /nfs/dbraw/zinc/27/90/90/872279090.db2.gz DJRYPLAXGADUQK-GOSISDBHSA-N -1 1 378.900 3.519 20 10 GHCDMM Cc1c(Br)cccc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001196551895 873205367 /nfs/dbraw/zinc/20/53/67/873205367.db2.gz CZPUEQOEXMLNHN-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM Cc1cc(C)c(C(=O)NC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)o1 ZINC000527587475 873322597 /nfs/dbraw/zinc/32/25/97/873322597.db2.gz MMJNOMFWCQWIFJ-UHFFFAOYSA-N -1 1 380.847 3.789 20 10 GHCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201799862 875867171 /nfs/dbraw/zinc/86/71/71/875867171.db2.gz SEOZTTXFVNPTPK-UHFFFAOYSA-N -1 1 377.462 3.522 20 10 GHCDMM O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1c([O-])c(O)ccc1F ZINC000790068797 879412287 /nfs/dbraw/zinc/41/22/87/879412287.db2.gz ATXMCNYOQDVJCX-UHFFFAOYSA-N -1 1 398.365 3.558 20 10 GHCDMM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc([O-])cc1F ZINC000791250455 880284484 /nfs/dbraw/zinc/28/44/84/880284484.db2.gz QVLOZSAADBWQAP-UHFFFAOYSA-N -1 1 388.439 3.534 20 10 GHCDMM O=C(NCc1ccc2ncccc2c1)NCc1cccc(Br)c1[O-] ZINC000792326459 881049716 /nfs/dbraw/zinc/04/97/16/881049716.db2.gz BEFQWQHGHLZAAT-UHFFFAOYSA-N -1 1 386.249 3.702 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCOCC3(CCCC3)C2)c1[O-] ZINC000774654953 912651317 /nfs/dbraw/zinc/65/13/17/912651317.db2.gz FATKFUWQPUTDKO-UHFFFAOYSA-N -1 1 381.472 3.721 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCOCC3(CCCC3)C2)c1[O-] ZINC000774654953 912651325 /nfs/dbraw/zinc/65/13/25/912651325.db2.gz FATKFUWQPUTDKO-UHFFFAOYSA-N -1 1 381.472 3.721 20 10 GHCDMM Cn1nc(CNCc2cc(Cl)cc(Br)c2[O-])cc1C(F)(F)F ZINC000898019473 884557168 /nfs/dbraw/zinc/55/71/68/884557168.db2.gz NCDOZEBENARTIS-UHFFFAOYSA-N -1 1 398.610 3.850 20 10 GHCDMM C=Cc1ccc(NC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])cc1 ZINC001184362224 913146908 /nfs/dbraw/zinc/14/69/08/913146908.db2.gz XUTYHWYPEGVMIN-UHFFFAOYSA-N -1 1 378.428 3.521 20 10 GHCDMM O=S(=O)(c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1)N1CCCC1 ZINC000863985116 887497598 /nfs/dbraw/zinc/49/75/98/887497598.db2.gz WXUVUEDUSNCLOJ-UHFFFAOYSA-N -1 1 384.860 3.581 20 10 GHCDMM CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000748050959 894607041 /nfs/dbraw/zinc/60/70/41/894607041.db2.gz JOCJIZODGZBDCI-UHFFFAOYSA-N -1 1 390.867 3.717 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000041374262 896240524 /nfs/dbraw/zinc/24/05/24/896240524.db2.gz XZEWTACABINPKM-UHFFFAOYSA-N -1 1 387.288 3.631 20 10 GHCDMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc([N+](=O)[O-])c1F ZINC000132486257 897806994 /nfs/dbraw/zinc/80/69/94/897806994.db2.gz UECQMLQLBLSFEN-UHFFFAOYSA-N -1 1 382.413 3.981 20 10 GHCDMM COc1c([O-])c(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)ccc1[N+](=O)[O-] ZINC000289966856 914454371 /nfs/dbraw/zinc/45/43/71/914454371.db2.gz YVYIDOKCICLMDR-OAHLLOKOSA-N -1 1 388.424 3.687 20 10 GHCDMM [O-]c1cc(F)c(Br)cc1CN1CCC(Oc2ccc(F)cn2)CC1 ZINC001144308851 901706264 /nfs/dbraw/zinc/70/62/64/901706264.db2.gz ZUVVYDSJTPRTFG-UHFFFAOYSA-N -1 1 399.235 3.871 20 10 GHCDMM C[C@@]1(CCNC(=O)NCc2cccc(Br)c2[O-])C[C@@]1(F)Cl ZINC000845407005 902110327 /nfs/dbraw/zinc/11/03/27/902110327.db2.gz XCVRYTYAZFHHKA-KGLIPLIRSA-N -1 1 379.657 3.659 20 10 GHCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186752537 914764672 /nfs/dbraw/zinc/76/46/72/914764672.db2.gz OUYACRIUNWJCNC-UHFFFAOYSA-N -1 1 395.742 3.768 20 10 GHCDMM COc1ccc(OC)c(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001173919877 906739976 /nfs/dbraw/zinc/73/99/76/906739976.db2.gz UPRMRIYBTWQAFQ-UHFFFAOYSA-N -1 1 375.380 3.928 20 10 GHCDMM CC(=O)N1CCc2c1cccc2NCc1cc(Br)cc(F)c1[O-] ZINC001178537136 909094075 /nfs/dbraw/zinc/09/40/75/909094075.db2.gz IXYOOFMERUOMBC-UHFFFAOYSA-N -1 1 379.229 3.815 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN[C@@H](CO)c1cc(F)ccc1F ZINC001179788755 909730564 /nfs/dbraw/zinc/73/05/64/909730564.db2.gz FDNMOJCMFGCGNZ-AWEZNQCLSA-N -1 1 392.627 3.910 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCCCC[C@H]1CO ZINC001206514287 911721967 /nfs/dbraw/zinc/72/19/67/911721967.db2.gz PZBTWFBMXQRAGY-LBPRGKRZSA-N -1 1 393.119 3.654 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN[C@@H](C)C(=O)OCc2ccccc2)c1 ZINC001182624706 911906573 /nfs/dbraw/zinc/90/65/73/911906573.db2.gz CHAVBCSMAMGQQA-ZDUSSCGKSA-N -1 1 378.266 3.685 20 10 GHCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188238077 915816741 /nfs/dbraw/zinc/81/67/41/915816741.db2.gz OGFSYBKDFPXOHR-UHFFFAOYSA-N -1 1 388.701 3.538 20 10 GHCDMM CNC(=O)COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000757592608 929737937 /nfs/dbraw/zinc/73/79/37/929737937.db2.gz JEWHJLGVGFGQSY-JTQLQIEISA-N -1 1 397.244 3.592 20 10 GHCDMM COc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC000784337885 931862117 /nfs/dbraw/zinc/86/21/17/931862117.db2.gz YUKYUBSFTKEGBK-UHFFFAOYSA-N -1 1 393.395 3.572 20 10 GHCDMM CCc1c(C)nn(-c2cccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2)c1C ZINC000784465322 931905469 /nfs/dbraw/zinc/90/54/69/931905469.db2.gz OQEVISCRMDFPMC-UHFFFAOYSA-N -1 1 394.427 3.502 20 10 GHCDMM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784492427 931913557 /nfs/dbraw/zinc/91/35/57/931913557.db2.gz FWPHAFKPHGZCHZ-GOSISDBHSA-N -1 1 378.808 3.581 20 10 GHCDMM COc1cc(NC(=O)NCc2cccc(Cl)c2[O-])ccc1N1CCCC1=O ZINC000929473620 933445132 /nfs/dbraw/zinc/44/51/32/933445132.db2.gz AYJQNQIVGZSQHG-UHFFFAOYSA-N -1 1 389.839 3.503 20 10 GHCDMM CCOCCOCc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000929789011 933634134 /nfs/dbraw/zinc/63/41/34/933634134.db2.gz UMBJCLLIMRGCIZ-UHFFFAOYSA-N -1 1 378.856 3.920 20 10 GHCDMM C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001594577804 986427137 /nfs/dbraw/zinc/42/71/37/986427137.db2.gz QOTWRXIJNIHQTQ-MCIONIFRSA-N -1 1 376.428 3.581 20 10 GHCDMM COc1cc(CN2CCc3c(C(=O)[O-])ccc(OC)c3C2)c(O)c(C(C)(C)C)c1 ZINC001599408063 997366802 /nfs/dbraw/zinc/36/68/02/997366802.db2.gz FAYGFYOFSDXCIO-UHFFFAOYSA-N -1 1 399.487 3.963 20 10 GHCDMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001221133006 1032300433 /nfs/dbraw/zinc/30/04/33/1032300433.db2.gz PNJFKGHJFBYBEH-UHFFFAOYSA-N -1 1 398.894 3.907 20 10 GHCDMM CC(C)Oc1ncccc1COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228110281 1032787505 /nfs/dbraw/zinc/78/75/05/1032787505.db2.gz IJCVZZNIVHHJHU-UHFFFAOYSA-N -1 1 395.411 3.796 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC[C@@H]1CCc2ccccc2O1 ZINC001228113962 1032790679 /nfs/dbraw/zinc/79/06/79/1032790679.db2.gz GIXVYKAZTRHMOR-KRWDZBQOSA-N -1 1 392.407 3.807 20 10 GHCDMM CC[C@@H](Nc1cc(NS(C)(=O)=O)ccc1OC)c1cccc(Cl)c1[O-] ZINC000834890297 1021629199 /nfs/dbraw/zinc/62/91/99/1021629199.db2.gz ZTYSLYQETDOIBG-CQSZACIVSA-N -1 1 384.885 3.989 20 10 GHCDMM Oc1ccc([C@@H]2C[N@H+](Cc3cocn3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001141130482 1023554418 /nfs/dbraw/zinc/55/44/18/1023554418.db2.gz PSUQFAWIDSWPMQ-KRWDZBQOSA-N -1 1 386.835 3.635 20 10 GHCDMM COC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367813 1024740928 /nfs/dbraw/zinc/74/09/28/1024740928.db2.gz RLOTVGDWTFNZLC-NXEZZACHSA-N -1 1 376.678 3.582 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCC(C(F)F)CC1 ZINC000838761619 1025351548 /nfs/dbraw/zinc/35/15/48/1025351548.db2.gz URIPFIWNBBBYHG-UHFFFAOYSA-N -1 1 377.229 3.778 20 10 GHCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000832856278 1026040471 /nfs/dbraw/zinc/04/04/71/1026040471.db2.gz QDJXLBGAHVJXPZ-GFCCVEGCSA-N -1 1 394.240 3.704 20 10 GHCDMM C[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ccncc1F ZINC001229198695 1033336806 /nfs/dbraw/zinc/33/68/06/1033336806.db2.gz PBHWPKMJZDPDRC-JTQLQIEISA-N -1 1 379.343 3.547 20 10 GHCDMM O=C(/C=C\c1ccc(O)c(O)c1)Nc1c([O-])cc(Br)cc1Cl ZINC001157119519 1033422307 /nfs/dbraw/zinc/42/23/07/1033422307.db2.gz CNKDUEIBVAWRLA-RQOWECAXSA-N -1 1 384.613 3.871 20 10 GHCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@H]1CCc2ccccc21 ZINC001229786214 1033712897 /nfs/dbraw/zinc/71/28/97/1033712897.db2.gz MZUDNZYFAUXDEK-SFHVURJKSA-N -1 1 394.379 3.512 20 10 GHCDMM C[C@@H]1CCC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)[C@@H]1C ZINC001229792194 1033717254 /nfs/dbraw/zinc/71/72/54/1033717254.db2.gz PUQVEJYWYDFPIQ-CZIZLABSSA-N -1 1 388.416 3.649 20 10 GHCDMM CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231566814 1034717145 /nfs/dbraw/zinc/71/71/45/1034717145.db2.gz RHNXAFOVGGXWQM-UHFFFAOYSA-N -1 1 392.496 3.702 20 10 GHCDMM CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231566814 1034717160 /nfs/dbraw/zinc/71/71/60/1034717160.db2.gz RHNXAFOVGGXWQM-UHFFFAOYSA-N -1 1 392.496 3.702 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)C[C@@H]1C(F)(F)F ZINC001233336646 1039137721 /nfs/dbraw/zinc/13/77/21/1039137721.db2.gz USDIHNPYPGRAEY-CYBMUJFWSA-N -1 1 396.356 3.654 20 10 GHCDMM O=C1Nc2ccccc2CN1C1CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419881 1039282526 /nfs/dbraw/zinc/28/25/26/1039282526.db2.gz PVBOTDWPTPABPH-UHFFFAOYSA-N -1 1 377.366 3.643 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001234474068 1040056109 /nfs/dbraw/zinc/05/61/09/1040056109.db2.gz NPKVYFRQMMDLBS-CQSZACIVSA-N -1 1 392.249 3.721 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001235295134 1040767059 /nfs/dbraw/zinc/76/70/59/1040767059.db2.gz RTUMMOLJERWYOP-UHFFFAOYSA-N -1 1 380.204 3.684 20 10 GHCDMM O=C1C[C@@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1c([O-])ccc(Cl)c1Cl ZINC001277994488 1041809004 /nfs/dbraw/zinc/80/90/04/1041809004.db2.gz BQRCBNCFEDCXQJ-QGZVFWFLSA-N -1 1 393.261 3.921 20 10 GHCDMM O=C(Cc1ccsc1)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236805151 1041906427 /nfs/dbraw/zinc/90/64/27/1041906427.db2.gz VRJWSBSPLYHEBV-UHFFFAOYSA-N -1 1 385.316 3.647 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001237121044 1042048177 /nfs/dbraw/zinc/04/81/77/1042048177.db2.gz IJLZQXMVBHVZMR-FDQGKXFDSA-N -1 1 392.858 3.638 20 10 GHCDMM C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237938185 1042428934 /nfs/dbraw/zinc/42/89/34/1042428934.db2.gz VZQXKBULUCDBEW-GFCCVEGCSA-N -1 1 379.863 3.885 20 10 GHCDMM O=C(c1ccccc1F)c1cc(Br)ccc1[N-]S(=O)(=O)C1CC1 ZINC001259275572 1045057046 /nfs/dbraw/zinc/05/70/46/1045057046.db2.gz JFRMKBKJODCJNK-UHFFFAOYSA-N -1 1 398.253 3.723 20 10 GHCDMM O=S(=O)([N-]c1c(F)cccc1N1CCCCC1)c1cccc2nsnc21 ZINC001260388615 1045487333 /nfs/dbraw/zinc/48/73/33/1045487333.db2.gz QORZNXXIXVPWIU-UHFFFAOYSA-N -1 1 392.481 3.622 20 10 GHCDMM CC1(C)Cc2cc(C(=O)NCc3cccc(Br)c3[O-])ccc2O1 ZINC001297441771 1045524076 /nfs/dbraw/zinc/52/40/76/1045524076.db2.gz XLDJFGLAVUURIV-UHFFFAOYSA-N -1 1 376.250 3.798 20 10 GHCDMM Cc1cccc(CO[C@H](C)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001297440772 1045524234 /nfs/dbraw/zinc/52/42/34/1045524234.db2.gz QBDRHZZLTSTQFA-CYBMUJFWSA-N -1 1 378.266 3.685 20 10 GHCDMM COc1ccc2c(c1)[C@H](C(=O)NCc1cccc(Br)c1[O-])CCC2 ZINC000847932519 1056224579 /nfs/dbraw/zinc/22/45/79/1056224579.db2.gz YFSMIVNVWUPVAW-OAHLLOKOSA-N -1 1 390.277 3.900 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1nc2ccccc2nc1C1CC1 ZINC001448959525 1060305992 /nfs/dbraw/zinc/30/59/92/1060305992.db2.gz DDCYRSRSTDNKGV-UHFFFAOYSA-N -1 1 398.260 3.905 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(Cc2nn[n-]n2)CC(C)C)c1 ZINC001455319159 1062101232 /nfs/dbraw/zinc/10/12/32/1062101232.db2.gz BXGITMXXKVHMCN-UHFFFAOYSA-N -1 1 386.887 3.559 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1O ZINC001200132139 1065305427 /nfs/dbraw/zinc/30/54/27/1065305427.db2.gz DZSPIBVXNFUKOJ-UHFFFAOYSA-N -1 1 391.832 3.786 20 10 GHCDMM O=C(NCCc1ccc(OC(F)(F)F)cc1)NCc1cccc(Cl)c1[O-] ZINC001467732974 1067441493 /nfs/dbraw/zinc/44/14/93/1067441493.db2.gz FZECOIJOEGHLFO-UHFFFAOYSA-N -1 1 388.773 3.986 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCN(c2ccccc2F)C1 ZINC001469647223 1068282568 /nfs/dbraw/zinc/28/25/68/1068282568.db2.gz UYPMPNJKQWABKJ-AWEZNQCLSA-N -1 1 377.847 3.653 20 10 GHCDMM Cn1cc([C@H](NC(=O)NCc2cccc(Cl)c2[O-])c2ccc(F)cc2)cn1 ZINC001478474495 1078882951 /nfs/dbraw/zinc/88/29/51/1078882951.db2.gz BTDOOLLDRBTUHB-QGZVFWFLSA-N -1 1 388.830 3.507 20 10 GHCDMM C[Si](C)(C)c1ccc(CCNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001470833510 1072762897 /nfs/dbraw/zinc/76/28/97/1072762897.db2.gz LHWPFOHEQGTUGG-UHFFFAOYSA-N -1 1 376.960 3.633 20 10 GHCDMM COc1ccc(NC(C)=O)cc1NCc1cc(Br)cc(F)c1[O-] ZINC001473948999 1074214930 /nfs/dbraw/zinc/21/49/30/1074214930.db2.gz IAIVVZZARNYRQY-UHFFFAOYSA-N -1 1 383.217 3.873 20 10 GHCDMM Cc1cnc([C@@H](C)CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277305034 845623958 /nfs/dbraw/zinc/62/39/58/845623958.db2.gz CHMGCCFTODYRLA-VIFPVBQESA-N -1 1 384.299 3.523 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000894749358 852085254 /nfs/dbraw/zinc/08/52/54/852085254.db2.gz ZXYXZHDMDVJRLG-CYBMUJFWSA-N -1 1 386.183 3.573 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2cccs2)on1 ZINC000765764102 856965144 /nfs/dbraw/zinc/96/51/44/856965144.db2.gz ISNFKTABDDWHTN-UHFFFAOYSA-N -1 1 379.235 3.801 20 10 GHCDMM O=C(Cc1ccccc1Br)NCc1cccc(Br)c1[O-] ZINC000765769271 857653526 /nfs/dbraw/zinc/65/35/26/857653526.db2.gz LGBQXOZEEHLVJD-UHFFFAOYSA-N -1 1 399.082 3.776 20 10 GHCDMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764783211 859601946 /nfs/dbraw/zinc/60/19/46/859601946.db2.gz IEZIOMZKLHMTLT-MAUKXSAKSA-N -1 1 375.266 3.684 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1COc2ccccc21 ZINC000764798675 859613970 /nfs/dbraw/zinc/61/39/70/859613970.db2.gz HJDMKHKAXPXLRH-FZMZJTMJSA-N -1 1 391.265 3.519 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)OCCCO2 ZINC000765211175 859841283 /nfs/dbraw/zinc/84/12/83/859841283.db2.gz AMHPQOSJICDSBX-UHFFFAOYSA-N -1 1 393.237 3.638 20 10 GHCDMM COc1ccc2[nH]c(C(=O)NCc3cccc(Br)c3[O-])cc2c1 ZINC000765731943 860500404 /nfs/dbraw/zinc/50/04/04/860500404.db2.gz NDAYBGDPAIWKOS-UHFFFAOYSA-N -1 1 375.222 3.575 20 10 GHCDMM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cn1 ZINC001193220391 870951292 /nfs/dbraw/zinc/95/12/92/870951292.db2.gz UCFSXDSENUZXLN-UHFFFAOYSA-N -1 1 393.827 3.770 20 10 GHCDMM O=C(Nc1ccc(F)c(Br)c1[O-])c1cc(O)c(O)c(Cl)c1 ZINC001193625184 871194219 /nfs/dbraw/zinc/19/42/19/871194219.db2.gz ODQNTWAXJKUHEY-UHFFFAOYSA-N -1 1 376.565 3.611 20 10 GHCDMM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)cc12 ZINC001194372357 871644344 /nfs/dbraw/zinc/64/43/44/871644344.db2.gz UHXABNIEDWSNHX-UHFFFAOYSA-N -1 1 385.228 3.754 20 10 GHCDMM O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(F)c2[O-])N1C[C@H]1CCCO1 ZINC000768266926 873197807 /nfs/dbraw/zinc/19/78/07/873197807.db2.gz XEJOAWLAHPPYFZ-KZULUSFZSA-N -1 1 376.815 3.930 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](COc3ccccc3)C2)c1 ZINC000792189089 880978149 /nfs/dbraw/zinc/97/81/49/880978149.db2.gz QCKLWIZKIOEDFW-KRWDZBQOSA-N -1 1 392.293 3.743 20 10 GHCDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000747385769 885344873 /nfs/dbraw/zinc/34/48/73/885344873.db2.gz BGEGNAUUUJFBFK-UHFFFAOYSA-N -1 1 382.508 3.780 20 10 GHCDMM Cc1ccc(CO[C@@H](C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000861332615 885404073 /nfs/dbraw/zinc/40/40/73/885404073.db2.gz IXMLANMAGCOIEZ-ZDUSSCGKSA-N -1 1 378.266 3.685 20 10 GHCDMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cccc2nonc21 ZINC000762597319 886493549 /nfs/dbraw/zinc/49/35/49/886493549.db2.gz FMPWJJGXLDQYAF-UHFFFAOYSA-N -1 1 377.731 3.696 20 10 GHCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H](C)CCCC(C)C)cc12 ZINC001184362914 913147326 /nfs/dbraw/zinc/14/73/26/913147326.db2.gz WNNXTYPSOWIIDE-INIZCTEOSA-N -1 1 388.508 3.570 20 10 GHCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794707699 887924540 /nfs/dbraw/zinc/92/45/40/887924540.db2.gz MIMJZIMUXLORHT-JWGURIENSA-N -1 1 395.462 3.711 20 10 GHCDMM O=C(COC(=O)c1cc(Br)ccc1Cl)c1ccc([O-])c(O)c1 ZINC000916589974 889150500 /nfs/dbraw/zinc/15/05/00/889150500.db2.gz QBGSMVUYRPMDSN-UHFFFAOYSA-N -1 1 385.597 3.553 20 10 GHCDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000811704831 889881772 /nfs/dbraw/zinc/88/17/72/889881772.db2.gz KUWVPMFZOFMUCJ-UHFFFAOYSA-N -1 1 394.449 3.643 20 10 GHCDMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1ccccc1Br ZINC000820401662 897305821 /nfs/dbraw/zinc/30/58/21/897305821.db2.gz CJHWFFBGNWHUKJ-UHFFFAOYSA-N -1 1 389.253 3.846 20 10 GHCDMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000845379848 902125324 /nfs/dbraw/zinc/12/53/24/902125324.db2.gz NWIOLUUXVVSNMY-GOEBONIOSA-N -1 1 375.266 3.818 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000846014848 902593283 /nfs/dbraw/zinc/59/32/83/902593283.db2.gz JWIPSHXESYXYCK-QWRGUYRKSA-N -1 1 396.203 3.519 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000846014862 902593952 /nfs/dbraw/zinc/59/39/52/902593952.db2.gz JWIPSHXESYXYCK-WDEREUQCSA-N -1 1 396.203 3.519 20 10 GHCDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1 ZINC000290485508 914702234 /nfs/dbraw/zinc/70/22/34/914702234.db2.gz IKAXJLYCYQAAGV-UHFFFAOYSA-N -1 1 377.462 3.711 20 10 GHCDMM C[C@@H](CC(N)=O)c1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001179666546 909657048 /nfs/dbraw/zinc/65/70/48/909657048.db2.gz UTAACFGACIYQFE-JTQLQIEISA-N -1 1 381.245 3.885 20 10 GHCDMM C[C@@H](CC(=O)NCC(=O)c1ccc([O-])c(O)c1)Sc1ccc(Cl)cc1 ZINC001181770816 910972346 /nfs/dbraw/zinc/97/23/46/910972346.db2.gz LROURLPYVJOAET-NSHDSACASA-N -1 1 379.865 3.621 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])[C@@H](c2ccncc2)C1 ZINC000800541052 920258903 /nfs/dbraw/zinc/25/89/03/920258903.db2.gz RBKLLUQBZYTASQ-GOSISDBHSA-N -1 1 387.455 3.720 20 10 GHCDMM O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1ccc([O-])c(O)c1 ZINC000012249607 926211237 /nfs/dbraw/zinc/21/12/37/926211237.db2.gz JMGFTUYYDPGVBD-UHFFFAOYSA-N -1 1 392.820 3.688 20 10 GHCDMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000758793561 930169220 /nfs/dbraw/zinc/16/92/20/930169220.db2.gz BPXZNYKMEZCWMM-CQSZACIVSA-N -1 1 380.496 3.606 20 10 GHCDMM O=C(COc1ccc(Oc2ccccc2)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782268701 931148418 /nfs/dbraw/zinc/14/84/18/931148418.db2.gz WROKBLYMJILWDG-UHFFFAOYSA-N -1 1 394.379 3.695 20 10 GHCDMM O=C(COC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc([O-])c(O)c1 ZINC000782566531 931272188 /nfs/dbraw/zinc/27/21/88/931272188.db2.gz XOIJQMZGCVPBLG-UHFFFAOYSA-N -1 1 389.816 3.914 20 10 GHCDMM O=C(CCOc1ccccc1-c1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782749595 931323664 /nfs/dbraw/zinc/32/36/64/931323664.db2.gz MYLLMYXQBPCFPI-UHFFFAOYSA-N -1 1 392.407 3.960 20 10 GHCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1C(F)(F)F ZINC000783864129 931696800 /nfs/dbraw/zinc/69/68/00/931696800.db2.gz VARDTLXZGCZMKU-DHZHZOJOSA-N -1 1 380.318 3.946 20 10 GHCDMM Cc1cc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Br ZINC000784046775 931766123 /nfs/dbraw/zinc/76/61/23/931766123.db2.gz CWSMSSLKPYDAPC-UHFFFAOYSA-N -1 1 393.233 3.527 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCC(F)(F)C1 ZINC000799989648 933203419 /nfs/dbraw/zinc/20/34/19/933203419.db2.gz BQRUIJPPGQJOIO-JTQLQIEISA-N -1 1 377.229 3.779 20 10 GHCDMM C[C@@H](COCc1ccccc1)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592775042 979397227 /nfs/dbraw/zinc/39/72/27/979397227.db2.gz CPLUMWKYTAHEAW-OAHLLOKOSA-N -1 1 377.868 3.785 20 10 GHCDMM C[C@@H](COCc1ccccc1)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592775042 979397238 /nfs/dbraw/zinc/39/72/38/979397238.db2.gz CPLUMWKYTAHEAW-OAHLLOKOSA-N -1 1 377.868 3.785 20 10 GHCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC2CCC(C(=O)[O-])CC2)C1 ZINC001591634925 992942318 /nfs/dbraw/zinc/94/23/18/992942318.db2.gz GBXZBWWRFIKHRH-UHFFFAOYSA-N -1 1 398.503 3.594 20 10 GHCDMM C[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(Br)cc1[O-] ZINC001593300058 994727788 /nfs/dbraw/zinc/72/77/88/994727788.db2.gz ZBNYBWFGKPLIJT-QMMMGPOBSA-N -1 1 385.645 3.752 20 10 GHCDMM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)NCc1cccc(Br)c1[O-] ZINC000935663664 1019025756 /nfs/dbraw/zinc/02/57/56/1019025756.db2.gz YHDRXNKJLNDRBZ-PWSUYJOCSA-N -1 1 396.203 3.661 20 10 GHCDMM O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203579988 1027449120 /nfs/dbraw/zinc/44/91/20/1027449120.db2.gz IBCHQDRTKLWNGW-FZMZJTMJSA-N -1 1 381.259 3.639 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN[C@@H](c2nccn2C)C(F)(F)F)c1 ZINC001204119997 1027890910 /nfs/dbraw/zinc/89/09/10/1027890910.db2.gz LIHOROLKABUUJP-LBPRGKRZSA-N -1 1 378.192 3.590 20 10 GHCDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccc(N)cc1C(F)(F)F ZINC001216134710 1029537890 /nfs/dbraw/zinc/53/78/90/1029537890.db2.gz PDROYUZJMKBEKF-UHFFFAOYSA-N -1 1 384.383 3.649 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000842935865 1029697943 /nfs/dbraw/zinc/69/79/43/1029697943.db2.gz ILOJAZZMGPQRFM-QVKFZJNVSA-N -1 1 382.504 3.936 20 10 GHCDMM Cc1cc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)ncc1Br ZINC001216954239 1030027147 /nfs/dbraw/zinc/02/71/47/1030027147.db2.gz TYLRFRXOLDFRNK-UHFFFAOYSA-N -1 1 382.601 3.934 20 10 GHCDMM Cn1cnc(-c2cccc(NCc3cc(Br)cc(F)c3[O-])c2)n1 ZINC001461728837 1069706652 /nfs/dbraw/zinc/70/66/52/1069706652.db2.gz IURUXGQHBQPOQH-UHFFFAOYSA-N -1 1 377.217 3.701 20 10 GHCDMM CC(=O)[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC001229196352 1033334366 /nfs/dbraw/zinc/33/43/66/1033334366.db2.gz BNOFIXWTEIQIJY-QHCPKHFHSA-N -1 1 388.375 3.582 20 10 GHCDMM C[C@H]1CC(Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@H](C)C1 ZINC001229786599 1033713464 /nfs/dbraw/zinc/71/34/64/1033713464.db2.gz OQWZFRMIBZUTFI-GHMZBOCLSA-N -1 1 388.416 3.649 20 10 GHCDMM CCC1CCC(Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001229791282 1033717935 /nfs/dbraw/zinc/71/79/35/1033717935.db2.gz MMEAGESZRYRCLI-UHFFFAOYSA-N -1 1 388.416 3.793 20 10 GHCDMM O=C(CNC(F)(F)c1cc(Cl)nc2c1CCCCC2)c1ccc([O-])c(O)c1 ZINC001159280297 1034520925 /nfs/dbraw/zinc/52/09/25/1034520925.db2.gz JWJAWCALRRZENI-UHFFFAOYSA-N -1 1 396.821 3.937 20 10 GHCDMM O=C1N(CC2CCCC2)CC[C@@]12CCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277509937 1034542251 /nfs/dbraw/zinc/54/22/51/1034542251.db2.gz KGNVMMRMPWDERN-FQEVSTJZSA-N -1 1 380.891 3.942 20 10 GHCDMM CC(C)N1CC2(CC1=O)CCN(Cc1c([O-])cc(Br)cc1F)CC2 ZINC001233033424 1038788866 /nfs/dbraw/zinc/78/88/66/1038788866.db2.gz NIBZICAUGXOYFR-UHFFFAOYSA-N -1 1 399.304 3.517 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC001233307665 1039100018 /nfs/dbraw/zinc/10/00/18/1039100018.db2.gz MMEBZRKMAVPVST-NSHDSACASA-N -1 1 396.203 3.716 20 10 GHCDMM CO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CCCCC1 ZINC001233719308 1039564811 /nfs/dbraw/zinc/56/48/11/1039564811.db2.gz YSJCWFHRQITQNU-OAHLLOKOSA-N -1 1 385.302 3.549 20 10 GHCDMM CCCCS(=O)(=O)[N-]c1cccc2c1C(=O)c1cccc(Cl)c1C2=O ZINC001253855970 1039865830 /nfs/dbraw/zinc/86/58/30/1039865830.db2.gz RVYPVNYVVZOURS-UHFFFAOYSA-N -1 1 377.849 3.657 20 10 GHCDMM O=C1c2ccccc2[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@H]12 ZINC001235294847 1040766499 /nfs/dbraw/zinc/76/64/99/1040766499.db2.gz RFDYBGYZXFLQBE-GJZGRUSLSA-N -1 1 376.225 3.706 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001236791106 1041897036 /nfs/dbraw/zinc/89/70/36/1041897036.db2.gz XJSUMZYINXFEFI-CQSZACIVSA-N -1 1 396.318 3.954 20 10 GHCDMM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cc(Br)cc1F ZINC001278043068 1041997024 /nfs/dbraw/zinc/99/70/24/1041997024.db2.gz CRXJZNDOGNIAKR-IUIKQTSFSA-N -1 1 399.304 3.658 20 10 GHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237619587 1042286123 /nfs/dbraw/zinc/28/61/23/1042286123.db2.gz AKEDIOQSPDRHTG-MRVPVSSYSA-N -1 1 379.741 3.966 20 10 GHCDMM C[C@@H]1CC[C@H](CO)CN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237784158 1042367692 /nfs/dbraw/zinc/36/76/92/1042367692.db2.gz RHLZHWLDNWZTLK-ZJUUUORDSA-N -1 1 382.220 3.766 20 10 GHCDMM O=C1c2cccc(F)c2CN1[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803341 1042379054 /nfs/dbraw/zinc/37/90/54/1042379054.db2.gz SPYHUDUHAYEACE-CQSZACIVSA-N -1 1 392.833 3.944 20 10 GHCDMM CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])C2)c1 ZINC001237939712 1042429669 /nfs/dbraw/zinc/42/96/69/1042429669.db2.gz FJVUNYFWURWJJC-AWEZNQCLSA-N -1 1 397.899 3.968 20 10 GHCDMM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC001259242820 1045039232 /nfs/dbraw/zinc/03/92/32/1045039232.db2.gz ZTNZGAJGPXKEBU-UHFFFAOYSA-N -1 1 386.860 3.908 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cc(Cl)c(F)cc1F ZINC001260206075 1045413208 /nfs/dbraw/zinc/41/32/08/1045413208.db2.gz ZGJHVHYVFKVVCE-UHFFFAOYSA-N -1 1 386.851 3.697 20 10 GHCDMM O=S(=O)([N-]c1ccc2cnccc2c1Cl)c1ccc(Cl)c2nonc21 ZINC001261073115 1045887885 /nfs/dbraw/zinc/88/78/85/1045887885.db2.gz MJJVZAMCADGVDD-UHFFFAOYSA-N -1 1 395.227 3.879 20 10 GHCDMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)cc2)c(F)c1 ZINC001463048435 1070756095 /nfs/dbraw/zinc/75/60/95/1070756095.db2.gz NUGQEDTYCHJXSO-UHFFFAOYSA-N -1 1 394.487 3.988 20 10 GHCDMM O=C(NCC/C=C/c1ccc(Br)cc1)c1c([O-])c(O)ccc1F ZINC001306881417 1048941863 /nfs/dbraw/zinc/94/18/63/1048941863.db2.gz KIWNFYKECKTLGE-HNQUOIGGSA-N -1 1 380.213 3.833 20 10 GHCDMM COc1ccc([C@@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CCO2)cc1 ZINC001308005129 1049754270 /nfs/dbraw/zinc/75/42/70/1049754270.db2.gz DUAFOXLOCWRZGC-IBGZPJMESA-N -1 1 375.852 3.830 20 10 GHCDMM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000755982451 1050894651 /nfs/dbraw/zinc/89/46/51/1050894651.db2.gz AZYVMPVXCXWUQK-UHFFFAOYSA-N -1 1 381.425 3.771 20 10 GHCDMM COC(=O)COc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1Cl ZINC001310456469 1051369968 /nfs/dbraw/zinc/36/99/68/1051369968.db2.gz QZGOBATXXJBCEP-UHFFFAOYSA-N -1 1 399.230 3.573 20 10 GHCDMM C[C@H](Nc1ccc(CCC(N)=O)cc1)c1cc(Br)cc(F)c1[O-] ZINC001337799057 1058268042 /nfs/dbraw/zinc/26/80/42/1058268042.db2.gz IOPLNIINENTZJF-JTQLQIEISA-N -1 1 381.245 3.885 20 10 GHCDMM Cc1c(NC(=O)NCc2cccc(Br)c2[O-])cccc1[N+](=O)[O-] ZINC000765218153 1068110992 /nfs/dbraw/zinc/11/09/92/1068110992.db2.gz MRPJDZUDAWJEMU-UHFFFAOYSA-N -1 1 380.198 3.693 20 10 GHCDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1nc(-c2ccccc2)no1 ZINC001478344763 1078825073 /nfs/dbraw/zinc/82/50/73/1078825073.db2.gz DQMYACVNUSWXBF-GFCCVEGCSA-N -1 1 386.839 3.699 20 10 GHCDMM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001472316730 1073417038 /nfs/dbraw/zinc/41/70/38/1073417038.db2.gz FLXSAMAWQMTPLQ-UHFFFAOYSA-N -1 1 384.904 3.993 20 10 GHCDMM C[C@@]1(c2cccc(NCc3cc(Br)cc(F)c3[O-])c2)COC(=O)N1 ZINC001474250520 1074310021 /nfs/dbraw/zinc/31/00/21/1074310021.db2.gz ZRFMVOGXJMFTDK-KRWDZBQOSA-N -1 1 395.228 3.861 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000823503583 599310268 /nfs/dbraw/zinc/31/02/68/599310268.db2.gz HMOFZAYRPUDEGT-GHXNOFRVSA-N -1 1 389.849 3.519 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000823503583 599310271 /nfs/dbraw/zinc/31/02/71/599310271.db2.gz HMOFZAYRPUDEGT-GHXNOFRVSA-N -1 1 389.849 3.519 20 10 GHCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000738347452 600051771 /nfs/dbraw/zinc/05/17/71/600051771.db2.gz MROIUMVCRIPJFZ-UHFFFAOYSA-N -1 1 392.433 3.757 20 10 GHCDMM O=C([O-])C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739784573 600143615 /nfs/dbraw/zinc/14/36/15/600143615.db2.gz GJZBYJZQUKKQSN-UHFFFAOYSA-N -1 1 397.258 3.614 20 10 GHCDMM O=C([O-])C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739784573 600143617 /nfs/dbraw/zinc/14/36/17/600143617.db2.gz GJZBYJZQUKKQSN-UHFFFAOYSA-N -1 1 397.258 3.614 20 10 GHCDMM O=C([O-])C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1cc(Cl)ccc1[O-] ZINC000739793153 600315835 /nfs/dbraw/zinc/31/58/35/600315835.db2.gz BAVINHDZZMYSTN-UHFFFAOYSA-N -1 1 398.242 3.557 20 10 GHCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1cc(Cl)ccc1[O-] ZINC000739793153 600315837 /nfs/dbraw/zinc/31/58/37/600315837.db2.gz BAVINHDZZMYSTN-UHFFFAOYSA-N -1 1 398.242 3.557 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000738977441 600420245 /nfs/dbraw/zinc/42/02/45/600420245.db2.gz YHKWEDSCRZXRAG-MRXNPFEDSA-N -1 1 393.439 3.771 20 10 GHCDMM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000822196753 606393840 /nfs/dbraw/zinc/39/38/40/606393840.db2.gz VYXKWWYZNADUNY-ZSOIEALJSA-N -1 1 399.526 3.951 20 10 GHCDMM COc1cccc([C@@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CCO2)c1 ZINC000167511731 836241607 /nfs/dbraw/zinc/24/16/07/836241607.db2.gz AJMZPPZWDSNSPQ-IBGZPJMESA-N -1 1 375.852 3.830 20 10 GHCDMM CC(C)Cc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782887752 838273275 /nfs/dbraw/zinc/27/32/75/838273275.db2.gz TUDUTKRHZREJBW-UHFFFAOYSA-N -1 1 384.428 3.685 20 10 GHCDMM CCO[C@H](C)c1noc(CN(C)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000781907069 841454403 /nfs/dbraw/zinc/45/44/03/841454403.db2.gz CVDARSBXPWZLFH-LLVKDONJSA-N -1 1 384.274 3.576 20 10 GHCDMM CCOC(=O)[C@]1(C)CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375123 843322498 /nfs/dbraw/zinc/32/24/98/843322498.db2.gz XJSQZQKVIQCAEP-MRXNPFEDSA-N -1 1 390.705 3.973 20 10 GHCDMM COCOc1ccccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001211564719 848912195 /nfs/dbraw/zinc/91/21/95/848912195.db2.gz RBUZIJBLCDWMAR-UHFFFAOYSA-N -1 1 375.380 3.894 20 10 GHCDMM C[C@H](C1CC1)n1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278239461 849809459 /nfs/dbraw/zinc/80/94/59/849809459.db2.gz XKEGIBLFJXTCTN-SNVBAGLBSA-N -1 1 379.258 3.644 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000894966823 854286089 /nfs/dbraw/zinc/28/60/89/854286089.db2.gz PARPWAYWJONVRO-LJQANCHMSA-N -1 1 386.879 3.939 20 10 GHCDMM O=C(CCc1ccccc1)Nc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170322186 881357894 /nfs/dbraw/zinc/35/78/94/881357894.db2.gz GOOHGBFNSSURRO-UHFFFAOYSA-N -1 1 390.439 3.964 20 10 GHCDMM CCOc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764765501 859600523 /nfs/dbraw/zinc/60/05/23/859600523.db2.gz UNSBVTGIASWIQF-UHFFFAOYSA-N -1 1 379.254 3.553 20 10 GHCDMM CCC(CC)(CNC(=O)NCc1cccc(Br)c1[O-])SC ZINC000764792001 859611070 /nfs/dbraw/zinc/61/10/70/859611070.db2.gz QNTGRBZNFJJZQB-UHFFFAOYSA-N -1 1 375.332 3.876 20 10 GHCDMM CCOc1cccc(CCNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764800469 859613554 /nfs/dbraw/zinc/61/35/54/859613554.db2.gz OXZFRCAUVXJAGN-UHFFFAOYSA-N -1 1 393.281 3.595 20 10 GHCDMM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764804913 859617400 /nfs/dbraw/zinc/61/74/00/859617400.db2.gz JYBCDAJHSJLYMQ-CABCVRRESA-N -1 1 385.302 3.548 20 10 GHCDMM CC1(CNC(=O)NCc2cccc(Br)c2[O-])Cc2ccccc2C1 ZINC000764806784 859623915 /nfs/dbraw/zinc/62/39/15/859623915.db2.gz QVKYZBFCOVNNSC-UHFFFAOYSA-N -1 1 389.293 3.759 20 10 GHCDMM CS[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000764808412 859623991 /nfs/dbraw/zinc/62/39/91/859623991.db2.gz XTSFXCXBHRTLSH-LBPRGKRZSA-N -1 1 375.332 3.732 20 10 GHCDMM CN(C)c1cc(C(F)(F)F)nc(NCc2cccc(Br)c2[O-])n1 ZINC000764934088 859690316 /nfs/dbraw/zinc/69/03/16/859690316.db2.gz IXIFQXQVVHFGMF-UHFFFAOYSA-N -1 1 391.191 3.642 20 10 GHCDMM CC[C@H](C)n1nc(NC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765339654 859918585 /nfs/dbraw/zinc/91/85/85/859918585.db2.gz OLGTYIZSSKPTMV-JTQLQIEISA-N -1 1 381.274 3.952 20 10 GHCDMM CC(C)CCn1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765362744 859929076 /nfs/dbraw/zinc/92/90/76/859929076.db2.gz PGAUNAWAYDAVBJ-UHFFFAOYSA-N -1 1 381.274 3.719 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1nc2ccccc2[nH]1 ZINC000765454452 859976602 /nfs/dbraw/zinc/97/66/02/859976602.db2.gz WYXORESKNNRLJO-JTQLQIEISA-N -1 1 389.253 3.591 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCc2ccccc21 ZINC000765498577 860009563 /nfs/dbraw/zinc/00/95/63/860009563.db2.gz MTEXEGPCUYEJJI-ZDUSSCGKSA-N -1 1 375.266 3.684 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](c1cccnc1)C1CC1 ZINC000765533976 860105929 /nfs/dbraw/zinc/10/59/29/860105929.db2.gz LYNIQGONLQDLMF-HNNXBMFYSA-N -1 1 376.254 3.500 20 10 GHCDMM [O-]c1c(Br)cccc1CNC(=S)N[C@H]1CCOc2ccccc21 ZINC000765992924 860238427 /nfs/dbraw/zinc/23/84/27/860238427.db2.gz QZENNYQTUJITIS-AWEZNQCLSA-N -1 1 393.306 3.643 20 10 GHCDMM O=C(CCC(=O)c1ccc(F)cc1F)NCc1cccc(Br)c1[O-] ZINC000765729158 860490530 /nfs/dbraw/zinc/49/05/30/860490530.db2.gz YROBDGIORGRWBY-UHFFFAOYSA-N -1 1 398.203 3.712 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-c2ccccc2)[nH]c1=O ZINC000765737255 860532584 /nfs/dbraw/zinc/53/25/84/860532584.db2.gz SNSPNGIYODNHMJ-UHFFFAOYSA-N -1 1 399.244 3.852 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(-c2ccccc2)nc1 ZINC000765736559 860533300 /nfs/dbraw/zinc/53/33/00/860533300.db2.gz OKZVDQXUNTVRMJ-UHFFFAOYSA-N -1 1 384.233 3.542 20 10 GHCDMM COc1ccc(/C=C\C(=O)NCc2cccc(Br)c2[O-])cc1OC ZINC000765751908 860569845 /nfs/dbraw/zinc/56/98/45/860569845.db2.gz UOEMPAIQSXJXID-CLFYSBASSA-N -1 1 392.249 3.502 20 10 GHCDMM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000792811065 881702137 /nfs/dbraw/zinc/70/21/37/881702137.db2.gz LTRQODUEOUUVEK-HNNXBMFYSA-N -1 1 392.407 3.958 20 10 GHCDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)n(Cc2ccccc2F)n1 ZINC001193219661 870951499 /nfs/dbraw/zinc/95/14/99/870951499.db2.gz LUBFIEHVQZZZKZ-UHFFFAOYSA-N -1 1 375.787 3.696 20 10 GHCDMM C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193220872 870952835 /nfs/dbraw/zinc/95/28/35/870952835.db2.gz ZBXJDIGDBRHCIX-NEPJUHHUSA-N -1 1 398.887 3.517 20 10 GHCDMM COc1cccc(OCC2CCN(C(=O)c3ccc(O)c([O-])c3Cl)CC2)c1 ZINC001193232794 870962783 /nfs/dbraw/zinc/96/27/83/870962783.db2.gz OYSGBRQDXTVWDH-UHFFFAOYSA-N -1 1 391.851 3.691 20 10 GHCDMM C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247000 870973862 /nfs/dbraw/zinc/97/38/62/870973862.db2.gz GYECEUBYLPJAAW-VIFPVBQESA-N -1 1 384.657 3.875 20 10 GHCDMM O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cc(O)c([O-])c(Cl)c1 ZINC001193625953 871196611 /nfs/dbraw/zinc/19/66/11/871196611.db2.gz PYURSVRFDZZGHA-UHFFFAOYSA-N -1 1 380.231 3.644 20 10 GHCDMM CC(C)CN1C(=O)C(=CNc2ccc3oc4ccccc4c3c2)C(=O)[N-]C1=S ZINC000920974347 882496019 /nfs/dbraw/zinc/49/60/19/882496019.db2.gz IMKQSEQLNMQJTD-MHWRWJLKSA-N -1 1 393.468 3.781 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCc3nc(C(C)C)ncc3C2)c1 ZINC000527619190 873359374 /nfs/dbraw/zinc/35/93/74/873359374.db2.gz MWUAXNVBSFBFMH-UHFFFAOYSA-N -1 1 376.298 3.935 20 10 GHCDMM Cc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c(C(=O)c2ccccc2)c1 ZINC001198783069 874606192 /nfs/dbraw/zinc/60/61/92/874606192.db2.gz TYRRTGZFKJMJDE-UHFFFAOYSA-N -1 1 395.436 3.725 20 10 GHCDMM CO[C@@H](C)C(=O)Nc1cccc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC001199777983 875181209 /nfs/dbraw/zinc/18/12/09/875181209.db2.gz ZWYMHUZHXAYDBV-JTQLQIEISA-N -1 1 397.244 3.879 20 10 GHCDMM O=C(COC(=O)c1cc2ccccc2n1CC(F)(F)F)c1ccc([O-])c(O)c1 ZINC000787189861 877237885 /nfs/dbraw/zinc/23/78/85/877237885.db2.gz RVBSGARTQRTFAC-UHFFFAOYSA-N -1 1 393.317 3.655 20 10 GHCDMM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3c(F)ccc(O)c3[O-])c2)cc1 ZINC000790070058 879413377 /nfs/dbraw/zinc/41/33/77/879413377.db2.gz ZOOBYMRUEIVIMO-UHFFFAOYSA-N -1 1 394.402 3.728 20 10 GHCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(OCc2ccccn2)c1 ZINC000790070052 879413403 /nfs/dbraw/zinc/41/34/03/879413403.db2.gz ZKFOSPDBAIFGDA-CYBMUJFWSA-N -1 1 382.391 3.702 20 10 GHCDMM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(Cl)c2[O-])N1CC(F)(F)F ZINC001275237244 912785530 /nfs/dbraw/zinc/78/55/30/912785530.db2.gz WIPJMYUKYBQKBY-CHWSQXEVSA-N -1 1 397.224 3.827 20 10 GHCDMM Cc1cc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(C)n1-c1ccccc1 ZINC000863165788 886901864 /nfs/dbraw/zinc/90/18/64/886901864.db2.gz ODRVXHMNNCSUHX-UHFFFAOYSA-N -1 1 378.476 3.952 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531820 887196407 /nfs/dbraw/zinc/19/64/07/887196407.db2.gz FQXNXBDAGAJRIJ-OXJNMPFZSA-N -1 1 382.504 3.936 20 10 GHCDMM Cc1cc(S(=O)(=O)N(C)C)cc(NCc2cc(Cl)cc(F)c2[O-])c1C ZINC000809682449 887701313 /nfs/dbraw/zinc/70/13/13/887701313.db2.gz PTADSXNYKNWRLI-UHFFFAOYSA-N -1 1 386.876 3.664 20 10 GHCDMM O=C(CSc1cc(Cl)ccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590097 889151096 /nfs/dbraw/zinc/15/10/96/889151096.db2.gz IIWFILDVVKXWOS-UHFFFAOYSA-N -1 1 387.240 3.923 20 10 GHCDMM O=C(COc1ccccc1-c1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590435 889152618 /nfs/dbraw/zinc/15/26/18/889152618.db2.gz AGJNKXLQKDHPCJ-UHFFFAOYSA-N -1 1 378.380 3.570 20 10 GHCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)ccc1O ZINC000811703389 889876725 /nfs/dbraw/zinc/87/67/25/889876725.db2.gz PNUIFLSVVYNMCN-UHFFFAOYSA-N -1 1 391.489 3.957 20 10 GHCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(Br)cc1Cl ZINC001184804709 913416852 /nfs/dbraw/zinc/41/68/52/913416852.db2.gz ZAMLJVZIVWWVQC-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000812646318 890840040 /nfs/dbraw/zinc/84/00/40/890840040.db2.gz JSSMWWDPQRQMKH-GOSISDBHSA-N -1 1 378.808 3.581 20 10 GHCDMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000130174984 897004143 /nfs/dbraw/zinc/00/41/43/897004143.db2.gz WGWMHVALGCTPLT-UHFFFAOYSA-N -1 1 377.205 3.716 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C)n1-c1cccc(C)c1 ZINC000773315122 904707222 /nfs/dbraw/zinc/70/72/22/904707222.db2.gz NJJROYDLWLKPGN-MRXNPFEDSA-N -1 1 380.448 3.511 20 10 GHCDMM CN(C)C(=O)c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001174007314 906771170 /nfs/dbraw/zinc/77/11/70/906771170.db2.gz BUKNDMUJDSIMTC-UHFFFAOYSA-N -1 1 386.407 3.613 20 10 GHCDMM COc1cnc(C(C)(C)NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[n-]c1=O ZINC001178682029 909182933 /nfs/dbraw/zinc/18/29/33/909182933.db2.gz IDRZOTWOIPGZPL-UHFFFAOYSA-N -1 1 394.475 3.572 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc2ncc(Br)cc2c1 ZINC001180409596 910151999 /nfs/dbraw/zinc/15/19/99/910151999.db2.gz DVIJBCASYMEDGI-UHFFFAOYSA-N -1 1 392.640 3.681 20 10 GHCDMM O=C(c1ccccc1Cl)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000900836279 920646032 /nfs/dbraw/zinc/64/60/32/920646032.db2.gz SDJHDVMZVRUOGQ-UHFFFAOYSA-N -1 1 377.799 3.625 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC000781909089 931023847 /nfs/dbraw/zinc/02/38/47/931023847.db2.gz PFFQFHRFKLEGNZ-LLVKDONJSA-N -1 1 381.236 3.532 20 10 GHCDMM Cc1ccc(-n2ncc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2C(C)C)cc1 ZINC000782729478 931317295 /nfs/dbraw/zinc/31/72/95/931317295.db2.gz REZANHJTXBDLOO-UHFFFAOYSA-N -1 1 394.427 3.755 20 10 GHCDMM O=C(CCc1cccc(OC2CCCC2)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783440889 931546374 /nfs/dbraw/zinc/54/63/74/931546374.db2.gz OVBQCPHDLCZLSG-UHFFFAOYSA-N -1 1 384.428 3.778 20 10 GHCDMM O=C(CCCc1cccc(Br)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784144935 931797585 /nfs/dbraw/zinc/79/75/85/931797585.db2.gz SXWARWSBHOILAO-UHFFFAOYSA-N -1 1 393.233 3.609 20 10 GHCDMM CO[C@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1C ZINC000784668442 931971938 /nfs/dbraw/zinc/97/19/38/931971938.db2.gz OVAFKKBTHIVAKI-ZANVPECISA-N -1 1 393.119 3.774 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)ccc1O ZINC000797819794 932416988 /nfs/dbraw/zinc/41/69/88/932416988.db2.gz SSYOBHNFLTVAHG-UHFFFAOYSA-N -1 1 382.441 3.847 20 10 GHCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000798277976 932590879 /nfs/dbraw/zinc/59/08/79/932590879.db2.gz VIVBQHFFRRHQOD-UHFFFAOYSA-N -1 1 394.393 3.520 20 10 GHCDMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000798940568 932825990 /nfs/dbraw/zinc/82/59/90/932825990.db2.gz TUOUUQMRIAVTFJ-KZULUSFZSA-N -1 1 376.403 3.761 20 10 GHCDMM COc1ccc([C@@H](C)Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC001227581398 1032471301 /nfs/dbraw/zinc/47/13/01/1032471301.db2.gz ZYDGAPLEVSPXPU-GFCCVEGCSA-N -1 1 375.380 3.711 20 10 GHCDMM CCOC(=O)[C@@H](CC(C)C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581262 1032471307 /nfs/dbraw/zinc/47/13/07/1032471307.db2.gz YMYCNWIQHLUTLK-QGZVFWFLSA-N -1 1 382.412 3.524 20 10 GHCDMM COc1ccc(C(C)(C)CNC(=O)NCc2cccc(Cl)c2[O-])cc1OC ZINC001221780734 1032532918 /nfs/dbraw/zinc/53/29/18/1032532918.db2.gz UYSSGSBCPNSGCK-UHFFFAOYSA-N -1 1 392.883 3.840 20 10 GHCDMM O=C([O-])c1ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001204159700 1032611010 /nfs/dbraw/zinc/61/10/10/1032611010.db2.gz NFVXBUVRDGWLIG-UHFFFAOYSA-N -1 1 380.366 3.606 20 10 GHCDMM CO[C@](C)(CNC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000836594298 1023155022 /nfs/dbraw/zinc/15/50/22/1023155022.db2.gz UYYBYVYOUUBPGJ-GOSISDBHSA-N -1 1 393.281 3.516 20 10 GHCDMM C[C@]1(CCNC(=O)NCc2cccc(Br)c2[O-])CC1(Cl)Cl ZINC000836623640 1023183809 /nfs/dbraw/zinc/18/38/09/1023183809.db2.gz LOJGNPRHBNQXSL-ZDUSSCGKSA-N -1 1 396.112 3.928 20 10 GHCDMM Oc1ccc([C@H]2C[N@H+](Cc3cocn3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001141130483 1023554606 /nfs/dbraw/zinc/55/46/06/1023554606.db2.gz PSUQFAWIDSWPMQ-QGZVFWFLSA-N -1 1 386.835 3.635 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC001141370871 1024750501 /nfs/dbraw/zinc/75/05/01/1024750501.db2.gz ARXUTCHSZMZZEL-AWEZNQCLSA-N -1 1 383.673 3.856 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001142418176 1028861929 /nfs/dbraw/zinc/86/19/29/1028861929.db2.gz APBUYODUAVYFKD-HNNXBMFYSA-N -1 1 378.472 3.986 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cc(N2CCCC2=O)ccc1F ZINC001214815514 1028921471 /nfs/dbraw/zinc/92/14/71/1028921471.db2.gz RSFTWLCBRLGHDJ-UHFFFAOYSA-N -1 1 377.803 3.633 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000842614367 1029414743 /nfs/dbraw/zinc/41/47/43/1029414743.db2.gz HRZXHQQRCQEDMG-YLJYHZDGSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000842614367 1029414755 /nfs/dbraw/zinc/41/47/55/1029414755.db2.gz HRZXHQQRCQEDMG-YLJYHZDGSA-N -1 1 381.472 3.720 20 10 GHCDMM Cc1cnnn1-c1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001461599372 1069632089 /nfs/dbraw/zinc/63/20/89/1069632089.db2.gz IKWCJBKNWZHSAN-UHFFFAOYSA-N -1 1 377.217 3.795 20 10 GHCDMM COc1ccc(Cn2cc(NC(=O)NCc3cccc(Cl)c3[O-])cn2)cc1 ZINC001217578335 1030505431 /nfs/dbraw/zinc/50/54/31/1030505431.db2.gz MZAUDXZBYXBAIB-UHFFFAOYSA-N -1 1 386.839 3.621 20 10 GHCDMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCc3c(O)ccc4c3CCCC4)c2)o1 ZINC001150388220 1030513371 /nfs/dbraw/zinc/51/33/71/1030513371.db2.gz WRKAYDVOXFJPJF-UHFFFAOYSA-N -1 1 391.423 3.979 20 10 GHCDMM Cc1cnc(F)c([C@@H](C)Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)c1 ZINC001229199180 1033337035 /nfs/dbraw/zinc/33/70/35/1033337035.db2.gz UFIPGUPNEKPHNX-LLVKDONJSA-N -1 1 393.370 3.856 20 10 GHCDMM CC[C@H]1CCCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785121 1033711677 /nfs/dbraw/zinc/71/16/77/1033711677.db2.gz DVHWIXASIUKQTH-GTNSWQLSSA-N -1 1 388.416 3.793 20 10 GHCDMM C[C@@H]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@H]1C ZINC001229786978 1033713308 /nfs/dbraw/zinc/71/33/08/1033713308.db2.gz PRAADFCHVMTEIW-NQBHXWOUSA-N -1 1 388.416 3.649 20 10 GHCDMM C[C@@H]1Cc2cc(Br)ccc2CN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452825 1034596767 /nfs/dbraw/zinc/59/67/67/1034596767.db2.gz GONRUMKMOGZVSX-LLVKDONJSA-N -1 1 376.250 3.800 20 10 GHCDMM O=C1c2ccccc2[C@@H]2CN(Cc3c([O-])cc(Br)cc3F)C[C@H]12 ZINC001233028507 1038781028 /nfs/dbraw/zinc/78/10/28/1038781028.db2.gz PLWCQPCSPACKPG-KBPBESRZSA-N -1 1 376.225 3.706 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2ccccc2OC)c1 ZINC001233307656 1039098177 /nfs/dbraw/zinc/09/81/77/1039098177.db2.gz MBNVLPBLRUWKCE-UHFFFAOYSA-N -1 1 394.265 3.582 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])C[C@@H](F)C1 ZINC001233416779 1039275934 /nfs/dbraw/zinc/27/59/34/1039275934.db2.gz WBDPJIWDGWNUQP-CYBMUJFWSA-N -1 1 392.393 3.802 20 10 GHCDMM O=C(c1cccc(F)c1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418238 1039279667 /nfs/dbraw/zinc/27/96/67/1039279667.db2.gz YLQHRQXMIFXTAJ-UHFFFAOYSA-N -1 1 382.357 3.508 20 10 GHCDMM O=C1NCCN(Cc2cccc(C(F)(F)F)c2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC001233419234 1039280534 /nfs/dbraw/zinc/28/05/34/1039280534.db2.gz OVVBZPLWVMQGTO-OAHLLOKOSA-N -1 1 384.785 3.738 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C(=O)c1ccccn1)c1ccccn1 ZINC001233494232 1039386932 /nfs/dbraw/zinc/38/69/32/1039386932.db2.gz AUOONNZBTHWCNR-JOCHJYFZSA-N -1 1 392.411 3.874 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001233496164 1039389291 /nfs/dbraw/zinc/38/92/91/1039389291.db2.gz QXYUXEUVGAZFKZ-ZDUSSCGKSA-N -1 1 386.404 3.647 20 10 GHCDMM Cc1cccc(O[C@H]2CCN(Cc3cc(F)cc(Br)c3[O-])C2)n1 ZINC001235309948 1040783420 /nfs/dbraw/zinc/78/34/20/1040783420.db2.gz ZJENJIJGQHPDER-AWEZNQCLSA-N -1 1 381.245 3.651 20 10 GHCDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(C)cc1Cl ZINC001256195584 1041639936 /nfs/dbraw/zinc/63/99/36/1041639936.db2.gz DGXREMVSKRGERJ-UHFFFAOYSA-N -1 1 380.897 3.594 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1 ZINC001236663652 1041811069 /nfs/dbraw/zinc/81/10/69/1041811069.db2.gz OWUUGFSTZPPDAE-CABCVRRESA-N -1 1 397.313 3.657 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1F ZINC001236791999 1041896481 /nfs/dbraw/zinc/89/64/81/1041896481.db2.gz ADQGYTYKTZRTIH-STQMWFEESA-N -1 1 379.259 3.746 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001236791105 1041896849 /nfs/dbraw/zinc/89/68/49/1041896849.db2.gz XJSUMZYINXFEFI-AWEZNQCLSA-N -1 1 396.318 3.954 20 10 GHCDMM COc1cc([O-])c(CN2CCn3c(COCC4CC4)cnc3[C@@H]2C)c(Cl)c1 ZINC001236799039 1041902386 /nfs/dbraw/zinc/90/23/86/1041902386.db2.gz XGWRWTDEARUBAN-ZDUSSCGKSA-N -1 1 391.899 3.754 20 10 GHCDMM CC(C)N(C)Cc1nnc2n1CCCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237082728 1042027971 /nfs/dbraw/zinc/02/79/71/1042027971.db2.gz UQIIPUXTNIRQPY-UHFFFAOYSA-N -1 1 398.338 3.537 20 10 GHCDMM O=C(c1ccccc1Cl)N1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125869 1042054308 /nfs/dbraw/zinc/05/43/08/1042054308.db2.gz GYZBLIJLOZBTOR-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCc2cc(F)ccc2C1 ZINC001237781946 1042366598 /nfs/dbraw/zinc/36/65/98/1042366598.db2.gz CACBYMPSRFUJSS-UHFFFAOYSA-N -1 1 383.204 3.694 20 10 GHCDMM COC(=O)C[C@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237786696 1042369502 /nfs/dbraw/zinc/36/95/02/1042369502.db2.gz PFMYBDHUDDKYJI-SECBINFHSA-N -1 1 396.203 3.559 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(Br)c1)c1ccc2ncsc2c1 ZINC001259396087 1045120601 /nfs/dbraw/zinc/12/06/01/1045120601.db2.gz NHFASRKYRHJVGK-UHFFFAOYSA-N -1 1 385.264 3.565 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cc(Cl)ccn3)CC2)c1[O-] ZINC001308089782 1049837046 /nfs/dbraw/zinc/83/70/46/1049837046.db2.gz DITACWRPOFBASO-UHFFFAOYSA-N -1 1 380.275 3.619 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001309595364 1050846567 /nfs/dbraw/zinc/84/65/67/1050846567.db2.gz UJENQFOLGRZXAJ-AWEZNQCLSA-N -1 1 390.480 3.856 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2cc(O)c(O)cc2s1 ZINC001448957335 1060306107 /nfs/dbraw/zinc/30/61/07/1060306107.db2.gz GENXSDYSSQHKIE-UHFFFAOYSA-N -1 1 394.246 3.711 20 10 GHCDMM Cc1c(=O)[nH]c2ccccc2c1C(=O)NCc1cccc(Br)c1[O-] ZINC001467764077 1067458056 /nfs/dbraw/zinc/45/80/56/1067458056.db2.gz ODQFRMRKAYOAJX-UHFFFAOYSA-N -1 1 387.233 3.647 20 10 GHCDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765209560 1068111056 /nfs/dbraw/zinc/11/10/56/1068111056.db2.gz APGYJMRNBLSBKO-UHFFFAOYSA-N -1 1 380.198 3.693 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000765771277 1068121797 /nfs/dbraw/zinc/12/17/97/1068121797.db2.gz YTJDINSTWJOGPL-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM COCCC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001478577663 1078922895 /nfs/dbraw/zinc/92/28/95/1078922895.db2.gz JDFQQUWGORYOHU-QGZVFWFLSA-N -1 1 376.884 3.883 20 10 GHCDMM O=C(c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1)N1CCC[C@H](CO)C1 ZINC001474054496 1074249359 /nfs/dbraw/zinc/24/93/59/1074249359.db2.gz GZZNQQPSDUFJCY-ZDUSSCGKSA-N -1 1 392.858 3.641 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000892359382 835069572 /nfs/dbraw/zinc/06/95/72/835069572.db2.gz MRVAPYDYVRFKJQ-GFCCVEGCSA-N -1 1 389.839 3.563 20 10 GHCDMM COc1c([O-])c(CN[C@H](C)c2nc(C3CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000278437662 835086717 /nfs/dbraw/zinc/08/67/17/835086717.db2.gz VGGSDNQOVWEGTI-LLVKDONJSA-N -1 1 376.413 3.591 20 10 GHCDMM CCn1c(CCNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[n-]c1=S ZINC000067076417 838668366 /nfs/dbraw/zinc/66/83/66/838668366.db2.gz HXULFVHSUIBIRK-UHFFFAOYSA-N -1 1 383.521 3.649 20 10 GHCDMM O=S(=O)(c1ccccc1NCc1cccc(Br)c1[O-])C(F)F ZINC000314971398 843675822 /nfs/dbraw/zinc/67/58/22/843675822.db2.gz NZHMFYYSWCHTAQ-UHFFFAOYSA-N -1 1 392.221 3.763 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(-c2cccnc2)s1 ZINC000765755416 855976720 /nfs/dbraw/zinc/97/67/20/855976720.db2.gz IKOBOUDYKGLBES-UHFFFAOYSA-N -1 1 390.262 3.603 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)nc(Cl)c1 ZINC000765758578 856460845 /nfs/dbraw/zinc/46/08/45/856460845.db2.gz ZLJHAGFQRTUAEX-UHFFFAOYSA-N -1 1 376.037 3.787 20 10 GHCDMM Cn1c(Cl)c(Cl)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765764498 856926409 /nfs/dbraw/zinc/92/64/09/856926409.db2.gz LEXAMOMXPWDSNC-UHFFFAOYSA-N -1 1 378.053 3.730 20 10 GHCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Br)c(Br)c1 ZINC000158189820 858499878 /nfs/dbraw/zinc/49/98/78/858499878.db2.gz SDZAMOOJZPOLFU-XBXARRHUSA-N -1 1 379.098 3.700 20 10 GHCDMM CCCOc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764764319 859600458 /nfs/dbraw/zinc/60/04/58/859600458.db2.gz OBUBXEGGLJIJIX-UHFFFAOYSA-N -1 1 393.281 3.943 20 10 GHCDMM O=C(NCCc1ccccc1Cl)NCc1cccc(Br)c1[O-] ZINC000764765379 859600775 /nfs/dbraw/zinc/60/07/75/859600775.db2.gz CCPRORMKHWSQLR-UHFFFAOYSA-N -1 1 383.673 3.850 20 10 GHCDMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781787 859601866 /nfs/dbraw/zinc/60/18/66/859601866.db2.gz CBDIZQWUSRULAD-CJNGLKHVSA-N -1 1 399.329 3.795 20 10 GHCDMM Cc1cccc(O[C@@H](C)CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764790225 859610062 /nfs/dbraw/zinc/61/00/62/859610062.db2.gz ILGZQKDWDOMEGZ-ZDUSSCGKSA-N -1 1 393.281 3.730 20 10 GHCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])Oc1ccc(F)cc1 ZINC000764791607 859610204 /nfs/dbraw/zinc/61/02/04/859610204.db2.gz OCJFYHJUNPBNAN-LLVKDONJSA-N -1 1 397.244 3.561 20 10 GHCDMM COC1CCC(CCNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764805297 859616291 /nfs/dbraw/zinc/61/62/91/859616291.db2.gz KOVFKGWCPPTVSX-UHFFFAOYSA-N -1 1 385.302 3.549 20 10 GHCDMM CC(C)(C)c1nnc2ccc(NCc3cccc(Br)c3[O-])nn21 ZINC000764935461 859690443 /nfs/dbraw/zinc/69/04/43/859690443.db2.gz UOPDSCLHJRAORF-UHFFFAOYSA-N -1 1 376.258 3.502 20 10 GHCDMM CCOC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765235490 859850685 /nfs/dbraw/zinc/85/06/85/859850685.db2.gz VBJKVVMXWVWHAO-UHFFFAOYSA-N -1 1 393.237 3.653 20 10 GHCDMM CC(C)Oc1ncccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765251792 859866774 /nfs/dbraw/zinc/86/67/74/859866774.db2.gz LSYUYCJHYDJZBM-UHFFFAOYSA-N -1 1 380.242 3.659 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(-c2cc[nH]n2)cc1 ZINC000765283851 859888916 /nfs/dbraw/zinc/88/89/16/859888916.db2.gz RNZDOFGGXPDGEP-UHFFFAOYSA-N -1 1 387.237 3.867 20 10 GHCDMM COc1ccc(OC)c(NC(=S)NCc2cccc(Br)c2[O-])c1 ZINC000765992094 860191786 /nfs/dbraw/zinc/19/17/86/860191786.db2.gz GIWPFVJMHKAUJS-UHFFFAOYSA-N -1 1 397.294 3.659 20 10 GHCDMM [O-]c1c(Br)cccc1CNC(=S)N[C@@H]1CCc2ccccc2C1 ZINC000765993714 860255808 /nfs/dbraw/zinc/25/58/08/860255808.db2.gz ZEFCRPCGIMYQNT-OAHLLOKOSA-N -1 1 391.334 3.676 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCc2c(O)cccc21 ZINC000765730416 860492213 /nfs/dbraw/zinc/49/22/13/860492213.db2.gz AXBPQULLNLPPRL-CQSZACIVSA-N -1 1 376.250 3.597 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000765730557 860498049 /nfs/dbraw/zinc/49/80/49/860498049.db2.gz CZQFRJQBJOSHHA-NEPJUHHUSA-N -1 1 382.204 3.853 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000765731709 860500280 /nfs/dbraw/zinc/50/02/80/860500280.db2.gz KPRFXJBWKGOQJQ-WDEREUQCSA-N -1 1 382.204 3.853 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccnc1SC(F)F ZINC000765751941 860569574 /nfs/dbraw/zinc/56/95/74/860569574.db2.gz BBCYFGAERQFWLS-UHFFFAOYSA-N -1 1 389.221 3.794 20 10 GHCDMM O=C(Cc1cc(Cl)cc2c1OCC2)NCc1cccc(Br)c1[O-] ZINC000765751927 860569601 /nfs/dbraw/zinc/56/96/01/860569601.db2.gz VAOSXAXNMXZDQT-UHFFFAOYSA-N -1 1 396.668 3.602 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1[O-] ZINC000738095636 865484509 /nfs/dbraw/zinc/48/45/09/865484509.db2.gz BCBYCMIOAHEQEF-LJQANCHMSA-N -1 1 394.515 3.779 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1[O-] ZINC000738095636 865484516 /nfs/dbraw/zinc/48/45/16/865484516.db2.gz BCBYCMIOAHEQEF-LJQANCHMSA-N -1 1 394.515 3.779 20 10 GHCDMM O=C1CCCC(=O)N1c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000793259360 882053581 /nfs/dbraw/zinc/05/35/81/882053581.db2.gz ISEDUDWUJHESSY-UHFFFAOYSA-N -1 1 389.249 3.810 20 10 GHCDMM C[C@H](NCc1nc2c(s1)COCC2)c1cc(Br)cc(F)c1[O-] ZINC000927121604 868585423 /nfs/dbraw/zinc/58/54/23/868585423.db2.gz NTHJUHDMMCAXAK-QMMMGPOBSA-N -1 1 387.274 3.674 20 10 GHCDMM C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000857875507 882605159 /nfs/dbraw/zinc/60/51/59/882605159.db2.gz QSGIBDHIHHXXFA-QFYYESIMSA-N -1 1 393.256 3.658 20 10 GHCDMM NC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC001197186478 873620465 /nfs/dbraw/zinc/62/04/65/873620465.db2.gz OGPOSCKKSJBPPE-GHVJWSGMSA-N -1 1 394.456 3.931 20 10 GHCDMM CCCCCC(=O)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769223886 873901818 /nfs/dbraw/zinc/90/18/18/873901818.db2.gz SETVNYICUMDXAH-UHFFFAOYSA-N -1 1 383.876 3.615 20 10 GHCDMM CN(C)C(=O)Cc1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001199458172 874982440 /nfs/dbraw/zinc/98/24/40/874982440.db2.gz YXLBCBBPQVOMOG-UHFFFAOYSA-N -1 1 381.245 3.537 20 10 GHCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1O ZINC000772383015 875932377 /nfs/dbraw/zinc/93/23/77/875932377.db2.gz GNNIWJKVSQNIHW-OAHLLOKOSA-N -1 1 398.356 3.801 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000776745414 879850292 /nfs/dbraw/zinc/85/02/92/879850292.db2.gz WWWYCRJWMLYQKU-UHFFFAOYSA-N -1 1 396.184 3.974 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3ccccc3)c2)c1 ZINC000805266825 883726719 /nfs/dbraw/zinc/72/67/19/883726719.db2.gz YZLQDKKFJQJROL-UHFFFAOYSA-N -1 1 382.441 3.683 20 10 GHCDMM Cn1cc([C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccc(F)cc2)cn1 ZINC000187520392 883798336 /nfs/dbraw/zinc/79/83/36/883798336.db2.gz DLIQJDRTUVTTGQ-KRWDZBQOSA-N -1 1 390.802 3.706 20 10 GHCDMM O=C([O-])[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(C1CCC1)C1CCC1 ZINC000864513804 887818138 /nfs/dbraw/zinc/81/81/38/887818138.db2.gz JPWBPICVDBZGNU-KRWDZBQOSA-N -1 1 382.298 3.914 20 10 GHCDMM C[C@H](NCc1nc(C(F)(F)F)n2c1CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866559022 888932674 /nfs/dbraw/zinc/93/26/74/888932674.db2.gz AUYMEYONMWKGPS-JTQLQIEISA-N -1 1 384.358 3.703 20 10 GHCDMM CC(=O)CCc1ccc2oc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c(C)c2c1 ZINC000916591439 889153805 /nfs/dbraw/zinc/15/38/05/889153805.db2.gz LRPHNZDDIJDQHS-UHFFFAOYSA-N -1 1 396.395 3.714 20 10 GHCDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000018215336 890374918 /nfs/dbraw/zinc/37/49/18/890374918.db2.gz DKYPGHVSTJMNOQ-UHFFFAOYSA-N -1 1 395.532 3.689 20 10 GHCDMM O=c1occ2[nH]c(NCc3cc(Cl)c4cccnc4c3[O-])c(Cl)cc1-2 ZINC001168522748 891103863 /nfs/dbraw/zinc/10/38/63/891103863.db2.gz VAWTVRSDJYFZOQ-UHFFFAOYSA-N -1 1 376.199 3.925 20 10 GHCDMM Cn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1cccc(Cl)c1 ZINC000124962753 892104387 /nfs/dbraw/zinc/10/43/87/892104387.db2.gz SCEPZXAYSGFRND-UHFFFAOYSA-N -1 1 375.837 3.522 20 10 GHCDMM O=C(COc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1)N1CCCC1 ZINC000816523950 894922164 /nfs/dbraw/zinc/92/21/64/894922164.db2.gz KRBWZVFWUGMILQ-UHFFFAOYSA-N -1 1 378.831 3.798 20 10 GHCDMM CSc1nc(C)c(CCC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)c(=O)[n-]1 ZINC000817762057 895893073 /nfs/dbraw/zinc/89/30/73/895893073.db2.gz RQWPJGKALHVHPW-UHFFFAOYSA-N -1 1 385.489 3.859 20 10 GHCDMM O=S(=O)(Nc1cc(Cc2ccccc2)ccc1O)c1cc(F)cc(F)c1[O-] ZINC000821184548 897753098 /nfs/dbraw/zinc/75/30/98/897753098.db2.gz CHVWHQCKRNYBRK-UHFFFAOYSA-N -1 1 391.395 3.768 20 10 GHCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cc1Cl ZINC001186098786 914303794 /nfs/dbraw/zinc/30/37/94/914303794.db2.gz YLINYEDRYHYKLO-UHFFFAOYSA-N -1 1 390.848 3.958 20 10 GHCDMM COc1ccc(S(=O)(=O)C(F)(F)F)cc1NCc1cc(F)cc(F)c1[O-] ZINC001202716049 899726549 /nfs/dbraw/zinc/72/65/49/899726549.db2.gz TXOUUNWIAYBXOK-UHFFFAOYSA-N -1 1 397.321 3.585 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000773256361 904619744 /nfs/dbraw/zinc/61/97/44/904619744.db2.gz BWWKFVHFOAABRW-QZTJIDSGSA-N -1 1 395.499 3.967 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000773256361 904619748 /nfs/dbraw/zinc/61/97/48/904619748.db2.gz BWWKFVHFOAABRW-QZTJIDSGSA-N -1 1 395.499 3.967 20 10 GHCDMM COC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])c1ccccc1F ZINC000779178029 905145017 /nfs/dbraw/zinc/14/50/17/905145017.db2.gz JTRMOUUDMHQMDX-HNNXBMFYSA-N -1 1 382.229 3.606 20 10 GHCDMM C[C@H](Oc1ccccc1Br)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410194 910151454 /nfs/dbraw/zinc/15/14/54/910151454.db2.gz LSNFYVTULMRUIX-JTQLQIEISA-N -1 1 384.657 3.892 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(Cl)cc1C(F)(F)F ZINC001189132522 916417650 /nfs/dbraw/zinc/41/76/50/916417650.db2.gz XYPDPHUOJXEJQK-UHFFFAOYSA-N -1 1 388.729 3.774 20 10 GHCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cc(Br)ccc1Cl ZINC001189750946 916874903 /nfs/dbraw/zinc/87/49/03/916874903.db2.gz HAMIPIVRFMPCCK-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM Cc1c(N[C@@H](C)c2cc(F)cc(F)c2[O-])cccc1N1C(=O)CCNC1=O ZINC000800498748 920191876 /nfs/dbraw/zinc/19/18/76/920191876.db2.gz CFQRKJPHFDWLPL-NSHDSACASA-N -1 1 375.375 3.598 20 10 GHCDMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(C)c1OCc1ccccn1 ZINC000726876243 926902049 /nfs/dbraw/zinc/90/20/49/926902049.db2.gz LKOPPQNEMHYHKJ-STZFKDTASA-N -1 1 399.450 3.739 20 10 GHCDMM CC[C@](NCc1cc(Cl)cc(C(C)=O)c1[O-])(C(=O)OC)c1ccccc1 ZINC000750045600 927402139 /nfs/dbraw/zinc/40/21/39/927402139.db2.gz UJIOMVJSVANFCA-HXUWFJFHSA-N -1 1 375.852 3.816 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750056859 927409269 /nfs/dbraw/zinc/40/92/69/927409269.db2.gz KVMDYBIWLBVNKF-HNNXBMFYSA-N -1 1 382.888 3.689 20 10 GHCDMM C[C@@H](Oc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1)c1ccccc1 ZINC000782964397 931375965 /nfs/dbraw/zinc/37/59/65/931375965.db2.gz VBOPSKAWMBFHOV-CQSZACIVSA-N -1 1 393.395 3.673 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000784006577 931752054 /nfs/dbraw/zinc/75/20/54/931752054.db2.gz ZTLOYFAGYKHFFS-GOSISDBHSA-N -1 1 381.472 3.577 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCc1cccc(Cl)c1F ZINC001116775698 933748390 /nfs/dbraw/zinc/74/83/90/933748390.db2.gz HNUHKRJQCIJUJE-UHFFFAOYSA-N -1 1 387.636 3.947 20 10 GHCDMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001117548994 933953989 /nfs/dbraw/zinc/95/39/89/933953989.db2.gz YPNFZKIHHOOHBK-UHFFFAOYSA-N -1 1 383.795 3.713 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2F)C[C@H]1C(F)(F)F ZINC001137841326 935818418 /nfs/dbraw/zinc/81/84/18/935818418.db2.gz AQNDXMNPUKXNRJ-AWEZNQCLSA-N -1 1 378.366 3.515 20 10 GHCDMM O=C(NC1CCC(c2ccccc2)CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155231886 1032465573 /nfs/dbraw/zinc/46/55/73/1032465573.db2.gz MAXCHTLEDYXVNE-UHFFFAOYSA-N -1 1 379.412 3.660 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC001221916577 1032572473 /nfs/dbraw/zinc/57/24/73/1032572473.db2.gz NMLBWXRROZVLAV-OAHLLOKOSA-N -1 1 377.847 3.653 20 10 GHCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000047293548 1019986957 /nfs/dbraw/zinc/98/69/57/1019986957.db2.gz UOWPKDFPQSUNMZ-UHFFFAOYSA-N -1 1 394.446 3.576 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c([O-])cccc2Cl)CC1(F)F ZINC001140341559 1021451645 /nfs/dbraw/zinc/45/16/45/1021451645.db2.gz WDNYMOHRTXDAFX-CQSZACIVSA-N -1 1 376.831 3.780 20 10 GHCDMM C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756381924 1023620406 /nfs/dbraw/zinc/62/04/06/1023620406.db2.gz OTPLEGWPAHBEPW-YMTOWFKASA-N -1 1 383.673 3.685 20 10 GHCDMM C[C@@H](NCc1cocn1)c1cc(Br)cc(Br)c1[O-] ZINC000756833375 1023828811 /nfs/dbraw/zinc/82/88/11/1023828811.db2.gz YZDYPQUKLYOIQQ-SSDOTTSWSA-N -1 1 376.048 3.756 20 10 GHCDMM COC[C@@H]1CCCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC001203564847 1027436407 /nfs/dbraw/zinc/43/64/07/1027436407.db2.gz QTRQLEAERZACJA-LBPRGKRZSA-N -1 1 393.119 3.918 20 10 GHCDMM COC(=O)[N-]C(=S)N(c1ccc(N)c(C(F)(F)F)c1)c1ccccc1N ZINC001216054085 1029509611 /nfs/dbraw/zinc/50/96/11/1029509611.db2.gz FZYSGEBUCDMQCW-UHFFFAOYSA-N -1 1 384.383 3.649 20 10 GHCDMM CN(C)[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1Cl ZINC001223556792 1030635024 /nfs/dbraw/zinc/63/50/24/1030635024.db2.gz JDUVEUWJGOFGLQ-MRXNPFEDSA-N -1 1 382.291 3.801 20 10 GHCDMM Cc1cc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)c(C)n1-c1cccc(C)c1 ZINC001151154301 1030784867 /nfs/dbraw/zinc/78/48/67/1030784867.db2.gz TWVMOELKNBGZFQ-UHFFFAOYSA-N -1 1 376.460 3.706 20 10 GHCDMM CC(C)=CCC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790048 1033715639 /nfs/dbraw/zinc/71/56/39/1033715639.db2.gz GTSWERBCDMQDMV-LBPRGKRZSA-N -1 1 388.416 3.959 20 10 GHCDMM COc1cc([O-])c2c(c1)oc(-c1ccc(O)c(O)c1)c(O[C@@H]1C[C@H]3C[C@H]3C1)c2=O ZINC001229791266 1033717876 /nfs/dbraw/zinc/71/78/76/1033717876.db2.gz OHGPTHBKMDGLBL-DABQJJPHSA-N -1 1 396.395 3.763 20 10 GHCDMM C[C@H](C[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC001230361949 1034013252 /nfs/dbraw/zinc/01/32/52/1034013252.db2.gz BFERXPFLQJUSTP-NWDGAFQWSA-N -1 1 385.892 3.537 20 10 GHCDMM O=C(NC[C@@H]1CCCCN1Cc1ccc(F)c(F)c1[O-])Nc1ccccc1 ZINC001461885435 1069836030 /nfs/dbraw/zinc/83/60/30/1069836030.db2.gz DYYMLTLZGUDBGR-INIZCTEOSA-N -1 1 375.419 3.847 20 10 GHCDMM O=C(CNc1nc(-c2ccc(F)cc2)nc2ccccc21)c1ccc([O-])c(O)c1 ZINC001159279222 1034519608 /nfs/dbraw/zinc/51/96/08/1034519608.db2.gz MQCGMYNIQLYBFI-UHFFFAOYSA-N -1 1 389.386 3.564 20 10 GHCDMM COc1ccc(CN2Cc3ccc(F)cc3C2)c([O-])c1I ZINC001248494056 1035913426 /nfs/dbraw/zinc/91/34/26/1035913426.db2.gz GISGWQREZLDAAC-UHFFFAOYSA-N -1 1 399.203 3.660 20 10 GHCDMM COCCN(Cc1ccccn1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001462192720 1070069892 /nfs/dbraw/zinc/06/98/92/1070069892.db2.gz ZZBZXEBYNIOVOI-UHFFFAOYSA-N -1 1 385.689 3.852 20 10 GHCDMM CCc1nc(C2CCN(Cc3c([O-])cc(Br)cc3F)CC2)no1 ZINC001233030515 1038782612 /nfs/dbraw/zinc/78/26/12/1038782612.db2.gz WKAXAPSQQTZKCK-UHFFFAOYSA-N -1 1 384.249 3.619 20 10 GHCDMM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030591 1038783522 /nfs/dbraw/zinc/78/35/22/1038783522.db2.gz ZNMJZSUGLFIXHK-NSHDSACASA-N -1 1 388.277 3.848 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H]2c2cccnc2)c1 ZINC001233306302 1039097301 /nfs/dbraw/zinc/09/73/01/1039097301.db2.gz MCFUAYARPUFWMV-MRXNPFEDSA-N -1 1 391.265 3.673 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H]2c2ccccn2)c1 ZINC001233307531 1039098389 /nfs/dbraw/zinc/09/83/89/1039098389.db2.gz HBOKTLQLXJXMGV-INIZCTEOSA-N -1 1 391.265 3.673 20 10 GHCDMM COC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2nn(CC3CC3)cc21 ZINC001233416435 1039272832 /nfs/dbraw/zinc/27/28/32/1039272832.db2.gz HZZPMHNHIGUBKF-OAHLLOKOSA-N -1 1 395.425 3.763 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416808 1039275490 /nfs/dbraw/zinc/27/54/90/1039275490.db2.gz XFPJKMWMDBUGSM-CABCVRRESA-N -1 1 386.414 3.995 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]([C@@H](C)C(=O)OCC)C(F)(F)F ZINC001233497527 1039392188 /nfs/dbraw/zinc/39/21/88/1039392188.db2.gz OHESDQAJJVEPFF-RFAUZJTJSA-N -1 1 378.343 3.590 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001233497965 1039393698 /nfs/dbraw/zinc/39/36/98/1039393698.db2.gz SGDQUGWIXMDWDY-SFHVURJKSA-N -1 1 391.464 3.859 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC001234474515 1040059759 /nfs/dbraw/zinc/05/97/59/1040059759.db2.gz SRYYUFQWMWKPQC-HDJSIYSDSA-N -1 1 379.453 3.857 20 10 GHCDMM O=C(Cc1ccccc1)N1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236798574 1041902435 /nfs/dbraw/zinc/90/24/35/1041902435.db2.gz IEQUSPSWACDCMO-UHFFFAOYSA-N -1 1 393.314 3.976 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001237080530 1042027009 /nfs/dbraw/zinc/02/70/09/1042027009.db2.gz MWMYFSMUXCFBKN-UHFFFAOYSA-N -1 1 392.290 3.546 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2c(Br)cnc2C1 ZINC001237083034 1042027962 /nfs/dbraw/zinc/02/79/62/1042027962.db2.gz WYWXTJULJKLJQN-UHFFFAOYSA-N -1 1 377.069 3.674 20 10 GHCDMM CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237127892 1042055117 /nfs/dbraw/zinc/05/51/17/1042055117.db2.gz JLFCYNSYBUKKFP-IBGZPJMESA-N -1 1 393.842 3.856 20 10 GHCDMM CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001237936728 1042427859 /nfs/dbraw/zinc/42/78/59/1042427859.db2.gz DJEQZIOOCWWHFM-OAHLLOKOSA-N -1 1 393.890 3.927 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001237936984 1042428265 /nfs/dbraw/zinc/42/82/65/1042428265.db2.gz LVBCTIJCHAESSD-XVGQJIODSA-N -1 1 392.858 3.638 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(Br)c1)c1cccc(OC(F)F)c1 ZINC001259445384 1045159580 /nfs/dbraw/zinc/15/95/80/1045159580.db2.gz ZMMSEAUDWJGODC-UHFFFAOYSA-N -1 1 394.193 3.557 20 10 GHCDMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1F)c1cccc2nsnc21 ZINC001260388075 1045486259 /nfs/dbraw/zinc/48/62/59/1045486259.db2.gz PKHFUQKFZNIYOL-UHFFFAOYSA-N -1 1 378.237 3.938 20 10 GHCDMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1F)c1cccc2nsnc21 ZINC001260387601 1045486352 /nfs/dbraw/zinc/48/63/52/1045486352.db2.gz AFEVMKIUBIAMHQ-UHFFFAOYSA-N -1 1 377.344 3.650 20 10 GHCDMM O=S(=O)(Nc1c(Cl)ccc([O-])c1Cl)c1ccc(Cl)c2nonc21 ZINC001261072980 1045888994 /nfs/dbraw/zinc/88/89/94/1045888994.db2.gz LSCLXVKQHRPUTC-UHFFFAOYSA-N -1 1 394.623 3.689 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC001262776863 1046338876 /nfs/dbraw/zinc/33/88/76/1046338876.db2.gz PQIYECVKCHUZGF-UHFFFAOYSA-N -1 1 388.851 3.622 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cn2cccc2)cc1 ZINC001320918132 1056015677 /nfs/dbraw/zinc/01/56/77/1056015677.db2.gz PGEDIGUWUPKXFV-UHFFFAOYSA-N -1 1 385.261 3.935 20 10 GHCDMM O=C(COC(=O)c1nc(-c2ccccc2)oc1C1CC1)c1ccc([O-])c(O)c1 ZINC001322162936 1056545913 /nfs/dbraw/zinc/54/59/13/1056545913.db2.gz NGXVSXKKNPXEIK-UHFFFAOYSA-N -1 1 379.368 3.670 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001323483180 1056975739 /nfs/dbraw/zinc/97/57/39/1056975739.db2.gz NGWBQLXHCBJTEH-UHFFFAOYSA-N -1 1 380.795 3.587 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1oc(C2CC2)nc1C(F)F ZINC001346925156 1061985473 /nfs/dbraw/zinc/98/54/73/1061985473.db2.gz STVISCWJFHMCBD-UHFFFAOYSA-N -1 1 387.180 3.888 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(Br)cccc1[N+](=O)[O-] ZINC001457037793 1062956452 /nfs/dbraw/zinc/95/64/52/1062956452.db2.gz RWURJPNBHMCHBT-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cccc(OC(F)(F)F)c1F ZINC001464788419 1065212406 /nfs/dbraw/zinc/21/24/06/1065212406.db2.gz LFEJOLIVIMUARD-UHFFFAOYSA-N -1 1 399.749 3.562 20 10 GHCDMM CSc1nc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc(=O)[n-]1 ZINC001469513198 1068200381 /nfs/dbraw/zinc/20/03/81/1068200381.db2.gz FBMAGCRULPOAGD-UHFFFAOYSA-N -1 1 382.489 3.550 20 10 GHCDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cl)c1[O-] ZINC001478068222 1078700590 /nfs/dbraw/zinc/70/05/90/1078700590.db2.gz PHMRXKXBRSUJBY-UHFFFAOYSA-N -1 1 377.828 3.776 20 10 GHCDMM C[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])c1ccccc1O ZINC001471195633 1072961832 /nfs/dbraw/zinc/96/18/32/1072961832.db2.gz JMSAYLFHACSFMI-SNVBAGLBSA-N -1 1 398.337 3.700 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCc1c(F)cc(F)cc1F ZINC001471286169 1072998236 /nfs/dbraw/zinc/99/82/36/1072998236.db2.gz HZFQZYSMBXKYQC-UHFFFAOYSA-N -1 1 389.171 3.571 20 10 GHCDMM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1c(F)ccc(O)c1[O-] ZINC001472560980 1073551807 /nfs/dbraw/zinc/55/18/07/1073551807.db2.gz VULXSMGYVBOMHH-INIZCTEOSA-N -1 1 379.815 3.788 20 10 GHCDMM COc1cccc(-c2cc(CNC(=O)NCc3cccc(Cl)c3[O-])on2)c1 ZINC001479424986 1079203061 /nfs/dbraw/zinc/20/30/61/1079203061.db2.gz GXBYHUFNTJYAIL-UHFFFAOYSA-N -1 1 387.823 3.709 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001474715703 1074531287 /nfs/dbraw/zinc/53/12/87/1074531287.db2.gz ONXHFBBLLDKBDR-HOTGVXAUSA-N -1 1 377.257 3.757 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000823505009 599309663 /nfs/dbraw/zinc/30/96/63/599309663.db2.gz WVXIUMLGOMJWKA-KPKJPENVSA-N -1 1 389.849 3.519 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000823505009 599309665 /nfs/dbraw/zinc/30/96/65/599309665.db2.gz WVXIUMLGOMJWKA-KPKJPENVSA-N -1 1 389.849 3.519 20 10 GHCDMM Cc1nn(C)c2nc(C)c(CCC(=O)NCc3cccc(Cl)c3[O-])c(C)c12 ZINC000890757933 836684967 /nfs/dbraw/zinc/68/49/67/836684967.db2.gz NJPSUVVERCMRTQ-UHFFFAOYSA-N -1 1 386.883 3.502 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000192155882 841679401 /nfs/dbraw/zinc/67/94/01/841679401.db2.gz HDPKBVURVLGGBQ-UHFFFAOYSA-N -1 1 376.459 3.878 20 10 GHCDMM CCn1c(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)n[n-]c1=S ZINC000067050784 843781418 /nfs/dbraw/zinc/78/14/18/843781418.db2.gz KQFVTYOSWNPVGM-UHFFFAOYSA-N -1 1 389.912 3.952 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC12CCOCC2 ZINC000375729145 848024811 /nfs/dbraw/zinc/02/48/11/848024811.db2.gz DEPWWZSOKQKSLX-UHFFFAOYSA-N -1 1 391.103 3.672 20 10 GHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000766048824 862563089 /nfs/dbraw/zinc/56/30/89/862563089.db2.gz WPGNMQDKXSTTOE-UHFFFAOYSA-N -1 1 397.452 3.975 20 10 GHCDMM O=C(CNc1c(F)c(F)c(F)c(F)c1Br)c1ccc([O-])c(O)c1 ZINC001170315189 881345242 /nfs/dbraw/zinc/34/52/42/881345242.db2.gz SYSCZSPFRARYGN-UHFFFAOYSA-N -1 1 394.118 3.712 20 10 GHCDMM Cc1csc(CCCCNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764769642 859604942 /nfs/dbraw/zinc/60/49/42/859604942.db2.gz PBCLBSPUPKCLOP-UHFFFAOYSA-N -1 1 398.326 3.742 20 10 GHCDMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782291 859609076 /nfs/dbraw/zinc/60/90/76/859609076.db2.gz XJGZWUMVZQVIBG-BDJLRTHQSA-N -1 1 375.266 3.887 20 10 GHCDMM CCOCCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000764797365 859611820 /nfs/dbraw/zinc/61/18/20/859611820.db2.gz LNUWKIGFQPECCP-UHFFFAOYSA-N -1 1 385.302 3.551 20 10 GHCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCCO1 ZINC000764797014 859612144 /nfs/dbraw/zinc/61/21/44/859612144.db2.gz IHLKNMPBHBMXRS-AWEZNQCLSA-N -1 1 385.302 3.549 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1COc2c1cccc2Cl ZINC000764798800 859613954 /nfs/dbraw/zinc/61/39/54/859613954.db2.gz VMYZAEWEYRAMPT-CYBMUJFWSA-N -1 1 397.656 3.741 20 10 GHCDMM COc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1Cl ZINC000764802055 859614603 /nfs/dbraw/zinc/61/46/03/859614603.db2.gz XUKMNEIAVOCHAK-UHFFFAOYSA-N -1 1 399.672 3.816 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(N(C)C)cc1 ZINC000764803034 859615609 /nfs/dbraw/zinc/61/56/09/859615609.db2.gz BOXYICWGTRRDFB-LBPRGKRZSA-N -1 1 392.297 3.781 20 10 GHCDMM COCC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(C)o1 ZINC000764805996 859616996 /nfs/dbraw/zinc/61/69/96/859616996.db2.gz MMARHKXEJNWAEA-CQSZACIVSA-N -1 1 397.269 3.633 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(C(F)(F)F)nc1 ZINC000765318272 859912671 /nfs/dbraw/zinc/91/26/71/859912671.db2.gz JCWFGVAPAXPFQY-UHFFFAOYSA-N -1 1 390.159 3.890 20 10 GHCDMM O=C(NCc1ccc2ccccc2n1)NCc1cccc(Br)c1[O-] ZINC000765499835 860011512 /nfs/dbraw/zinc/01/15/12/860011512.db2.gz MPRMNWDVGYCCTC-UHFFFAOYSA-N -1 1 386.249 3.702 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccc(F)cc2)on1 ZINC000765727609 860485333 /nfs/dbraw/zinc/48/53/33/860485333.db2.gz DWFQUUPOPLOPHS-UHFFFAOYSA-N -1 1 391.196 3.879 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Br)cs1 ZINC000765728678 860491673 /nfs/dbraw/zinc/49/16/73/860491673.db2.gz JYNHKBPAEHCKRK-UHFFFAOYSA-N -1 1 391.084 3.909 20 10 GHCDMM CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(Br)c1[O-] ZINC000765746984 860559898 /nfs/dbraw/zinc/55/98/98/860559898.db2.gz ISDKOPOSOBVUNH-AWEZNQCLSA-N -1 1 382.229 3.768 20 10 GHCDMM CC(C)(C)n1ccnc1SCC(=O)NCc1cccc(Br)c1[O-] ZINC000765750716 860565095 /nfs/dbraw/zinc/56/50/95/860565095.db2.gz KKZLTSNKEGQMQN-UHFFFAOYSA-N -1 1 398.326 3.515 20 10 GHCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000857225217 882126547 /nfs/dbraw/zinc/12/65/47/882126547.db2.gz ILNVCKFOQLBHEL-UHFFFAOYSA-N -1 1 394.449 3.643 20 10 GHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001193224780 870946661 /nfs/dbraw/zinc/94/66/61/870946661.db2.gz AUKYCOASQQFEOH-YCRPNKLZSA-N -1 1 387.863 3.930 20 10 GHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001193220908 870952859 /nfs/dbraw/zinc/95/28/59/870952859.db2.gz ZOODOCKSXYKVFM-UHFFFAOYSA-N -1 1 389.810 3.651 20 10 GHCDMM COc1cc(O)ccc1NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196097401 872878011 /nfs/dbraw/zinc/87/80/11/872878011.db2.gz SXOHZBCULCKVGM-UHFFFAOYSA-N -1 1 399.424 3.567 20 10 GHCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000790069792 879413650 /nfs/dbraw/zinc/41/36/50/879413650.db2.gz UMBKUYOYAABVCI-ZDUSSCGKSA-N -1 1 394.402 3.980 20 10 GHCDMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1-n1nnnc1C1CC1 ZINC000790980035 880139374 /nfs/dbraw/zinc/13/93/74/880139374.db2.gz BWJBSIRETXXTHJ-UHFFFAOYSA-N -1 1 389.818 3.659 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc(C(F)F)cc1 ZINC000805080806 883598241 /nfs/dbraw/zinc/59/82/41/883598241.db2.gz PZSKIAXEAGJMOE-UHFFFAOYSA-N -1 1 392.221 3.571 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000919806037 886380175 /nfs/dbraw/zinc/38/01/75/886380175.db2.gz FIUUAOQPOXANDY-UHFFFAOYSA-N -1 1 398.440 3.808 20 10 GHCDMM O=C(Cc1coc2ccc3ccccc3c12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916618908 889194281 /nfs/dbraw/zinc/19/42/81/889194281.db2.gz YJMLWTMEERYGBP-UHFFFAOYSA-N -1 1 376.364 3.966 20 10 GHCDMM COC(=O)[C@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccc(F)cc1 ZINC000812881301 891061336 /nfs/dbraw/zinc/06/13/36/891061336.db2.gz ZJGATUVWYVQBLI-LJQANCHMSA-N -1 1 379.815 3.565 20 10 GHCDMM CC(C)Oc1c(NCc2ccc(N3CCN(C)CC3)cc2)cccc1C(=O)[O-] ZINC000813355593 891537042 /nfs/dbraw/zinc/53/70/42/891537042.db2.gz BZXLXVIHNPAGNJ-UHFFFAOYSA-N -1 1 383.492 3.536 20 10 GHCDMM COc1cccc(OC)c1OC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876620239 893260446 /nfs/dbraw/zinc/26/04/46/893260446.db2.gz IPDILOHICUTZQH-UHFFFAOYSA-N -1 1 379.403 3.731 20 10 GHCDMM COc1c([O-])c(CN2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774849823 913787481 /nfs/dbraw/zinc/78/74/81/913787481.db2.gz LIVKWAUBBXPXKM-GOSISDBHSA-N -1 1 396.447 3.923 20 10 GHCDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000130171836 897003099 /nfs/dbraw/zinc/00/30/99/897003099.db2.gz ZVZFCWJDZLQOQC-UHFFFAOYSA-N -1 1 377.205 3.716 20 10 GHCDMM CS[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824683965 899764370 /nfs/dbraw/zinc/76/43/70/899764370.db2.gz ZDPONRWEQMSPIU-SNVBAGLBSA-N -1 1 381.133 3.855 20 10 GHCDMM COc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1OC ZINC001173889428 906747233 /nfs/dbraw/zinc/74/72/33/906747233.db2.gz FRHPIEPTIXBBLO-UHFFFAOYSA-N -1 1 375.380 3.928 20 10 GHCDMM CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NCc2cccc(Cl)c2[O-])co1 ZINC001180419913 910157061 /nfs/dbraw/zinc/15/70/61/910157061.db2.gz FPWLIGWBKHNNOX-FPLPWBNLSA-N -1 1 377.824 3.924 20 10 GHCDMM C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622216 910885702 /nfs/dbraw/zinc/88/57/02/910885702.db2.gz RPQKDWDXGJGLOS-GDBMZVCRSA-N -1 1 382.451 3.893 20 10 GHCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC001189172014 916470123 /nfs/dbraw/zinc/47/01/23/916470123.db2.gz XJHUDNYYAPKYJM-UHFFFAOYSA-N -1 1 389.702 3.969 20 10 GHCDMM C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(Br)cc(F)c1[O-] ZINC000757609925 929743545 /nfs/dbraw/zinc/74/35/45/929743545.db2.gz BGIMMJBUTQVYMT-VIFPVBQESA-N -1 1 379.229 3.753 20 10 GHCDMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(C)c1 ZINC000758161921 929952896 /nfs/dbraw/zinc/95/28/96/929952896.db2.gz ACFVTDVDWZYYRG-UHFFFAOYSA-N -1 1 390.244 3.595 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cccc4ccccc43)no2)c1 ZINC000758284600 930001522 /nfs/dbraw/zinc/00/15/22/930001522.db2.gz VKMNSIXQLCQKLV-UHFFFAOYSA-N -1 1 381.413 3.634 20 10 GHCDMM O=C(CCOc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782727334 931316654 /nfs/dbraw/zinc/31/66/54/931316654.db2.gz LEEKPFNGOLQBIB-UHFFFAOYSA-N -1 1 385.199 3.600 20 10 GHCDMM O=C(COC(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccc([O-])c(O)c1 ZINC000784123221 931791513 /nfs/dbraw/zinc/79/15/13/931791513.db2.gz SJGDACPYWQZERR-UHFFFAOYSA-N -1 1 383.787 3.853 20 10 GHCDMM CC(C)(C)c1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1 ZINC000784161245 931800808 /nfs/dbraw/zinc/80/08/08/931800808.db2.gz VNOVRRLNBQBWNJ-UHFFFAOYSA-N -1 1 387.461 3.778 20 10 GHCDMM CO[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1C ZINC000784668417 931971785 /nfs/dbraw/zinc/97/17/85/931971785.db2.gz OVAFKKBTHIVAKI-TVQRCGJNSA-N -1 1 393.119 3.774 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1O ZINC000797819726 932416996 /nfs/dbraw/zinc/41/69/96/932416996.db2.gz PLZVBBFJXHEKHS-UHFFFAOYSA-N -1 1 381.759 3.874 20 10 GHCDMM Cc1ccc([C@@H](NCc2cc(Cl)cc(F)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088669 932524263 /nfs/dbraw/zinc/52/42/63/932524263.db2.gz RODWQHRQHZZLGY-PXAZEXFGSA-N -1 1 385.888 3.757 20 10 GHCDMM O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c(OC3CCN(C4CC4)CC3)c12 ZINC001227504364 1032444864 /nfs/dbraw/zinc/44/48/64/1032444864.db2.gz JQUWBKCLEVMFMI-UHFFFAOYSA-N -1 1 393.439 3.877 20 10 GHCDMM O=C(Nc1ncc(-c2ccccc2)s1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222576 1032462367 /nfs/dbraw/zinc/46/23/67/1032462367.db2.gz QBXRMVQNPZNOPU-UHFFFAOYSA-N -1 1 380.381 3.580 20 10 GHCDMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234762 1032465357 /nfs/dbraw/zinc/46/53/57/1032465357.db2.gz UUDRCQSAFSCETM-GDMOEJLQSA-N -1 1 391.423 3.516 20 10 GHCDMM CC(C)Cc1ccc([C@H](C)NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cc1 ZINC001155235751 1032466306 /nfs/dbraw/zinc/46/63/06/1032466306.db2.gz QQKWOGQUZJTQAI-ZDUSSCGKSA-N -1 1 381.428 3.894 20 10 GHCDMM CCCOC[C@@H](C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228190193 1032831319 /nfs/dbraw/zinc/83/13/19/1032831319.db2.gz GCDZUTVFKRYJFL-XIKOKIGWSA-N -1 1 388.416 3.704 20 10 GHCDMM CCC(=O)[C@H](CC)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228196375 1032834915 /nfs/dbraw/zinc/83/49/15/1032834915.db2.gz YDRXWSDOJFXLTO-ZWKOTPCHSA-N -1 1 386.400 3.646 20 10 GHCDMM C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)c(F)cc1[O-] ZINC000756795433 1023817324 /nfs/dbraw/zinc/81/73/24/1023817324.db2.gz FDODRRZJAVWZQY-MRVPVSSYSA-N -1 1 381.201 3.798 20 10 GHCDMM C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)c(F)cc1[O-] ZINC000756817772 1023826225 /nfs/dbraw/zinc/82/62/25/1023826225.db2.gz BWFJYAQEZNDGPV-JTQLQIEISA-N -1 1 394.244 3.997 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCN(c2ccccn2)CC1 ZINC001141367858 1024741119 /nfs/dbraw/zinc/74/11/19/1024741119.db2.gz UHNYGZNPBVQBOW-UHFFFAOYSA-N -1 1 396.716 3.915 20 10 GHCDMM COC(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375160 1024769213 /nfs/dbraw/zinc/76/92/13/1024769213.db2.gz YBMSDOZUCLUMOV-JTQLQIEISA-N -1 1 376.678 3.583 20 10 GHCDMM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001139689738 1026542138 /nfs/dbraw/zinc/54/21/38/1026542138.db2.gz LBESTTMVZUKBDN-SNVBAGLBSA-N -1 1 389.324 3.523 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000840116678 1027224480 /nfs/dbraw/zinc/22/44/80/1027224480.db2.gz QCUIVIXDQXLQGD-IOMROCGXSA-N -1 1 395.499 3.844 20 10 GHCDMM O=S(=O)(c1cccc(NCc2c([O-])ccc(Cl)c2F)c1)C1CCOCC1 ZINC000842217454 1029159194 /nfs/dbraw/zinc/15/91/94/1029159194.db2.gz ABWNSUBFZPNLEC-UHFFFAOYSA-N -1 1 399.871 3.750 20 10 GHCDMM CC[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001229785291 1033711213 /nfs/dbraw/zinc/71/12/13/1033711213.db2.gz GQIYGXCDNDILHA-GOSISDBHSA-N -1 1 396.395 3.976 20 10 GHCDMM COc1cc([O-])c2c(=O)c(OC3CCCC3)c(-c3ccc(O)c(O)c3)oc2c1 ZINC001229790481 1033715817 /nfs/dbraw/zinc/71/58/17/1033715817.db2.gz KGESUCVDPRYYGL-UHFFFAOYSA-N -1 1 384.384 3.907 20 10 GHCDMM COc1c([O-])c(CN2CCc3ccc(C(F)(F)F)cc3C2)ccc1[N+](=O)[O-] ZINC001207100475 1034091912 /nfs/dbraw/zinc/09/19/12/1034091912.db2.gz CMSMORMKYLGROI-UHFFFAOYSA-N -1 1 382.338 3.886 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1csc(I)c1 ZINC001159034116 1034394052 /nfs/dbraw/zinc/39/40/52/1034394052.db2.gz RGOGYAOLVYPVJB-UHFFFAOYSA-N -1 1 393.633 3.642 20 10 GHCDMM C[C@@H]1Cc2cccc(Br)c2CN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452793 1034597064 /nfs/dbraw/zinc/59/70/64/1034597064.db2.gz FLFXYCFOEUKSSQ-LLVKDONJSA-N -1 1 376.250 3.800 20 10 GHCDMM O=C([O-])c1ccc(O)c(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC001231563712 1034713218 /nfs/dbraw/zinc/71/32/18/1034713218.db2.gz KLWBJPMCNNQHPX-UHFFFAOYSA-N -1 1 395.286 3.715 20 10 GHCDMM Cc1cc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)n(-c2ccccc2)n1 ZINC001231914872 1034987777 /nfs/dbraw/zinc/98/77/77/1034987777.db2.gz UCGYWPSLKYXFMQ-UHFFFAOYSA-N -1 1 382.895 3.862 20 10 GHCDMM COc1ccc(CN2CCCC[C@](C)(F)C2)c([O-])c1I ZINC001248481820 1035909095 /nfs/dbraw/zinc/90/90/95/1035909095.db2.gz HKXCRCZSJNBEKN-HNNXBMFYSA-N -1 1 393.240 3.720 20 10 GHCDMM [O-]c1cc(O)c(CN2CCCC[C@@H]2c2noc(C(F)(F)F)n2)cc1Cl ZINC001232264340 1037984159 /nfs/dbraw/zinc/98/41/59/1037984159.db2.gz AEBSANHMVYYYOL-SNVBAGLBSA-N -1 1 377.750 3.880 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC001253348217 1039560240 /nfs/dbraw/zinc/56/02/40/1039560240.db2.gz NDBLIEGWUKICPT-MRXNPFEDSA-N -1 1 382.851 3.718 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001234474066 1040056316 /nfs/dbraw/zinc/05/63/16/1040056316.db2.gz NPKVYFRQMMDLBS-AWEZNQCLSA-N -1 1 392.249 3.721 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001234474717 1040059199 /nfs/dbraw/zinc/05/91/99/1040059199.db2.gz WISHPHOVQPSBKF-QIIPPGSGSA-N -1 1 391.464 3.715 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001234477011 1040060784 /nfs/dbraw/zinc/06/07/84/1040060784.db2.gz QPVZNPXCQKAZAB-HXUWFJFHSA-N -1 1 396.395 3.568 20 10 GHCDMM Cc1ccc(O[C@@H]2CCN(Cc3cc(F)cc(Br)c3[O-])C2)nc1 ZINC001235306456 1040780623 /nfs/dbraw/zinc/78/06/23/1040780623.db2.gz FYFCDICUHWIYME-CQSZACIVSA-N -1 1 381.245 3.651 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC001236665845 1041813096 /nfs/dbraw/zinc/81/30/96/1041813096.db2.gz KTDFBCLQBRRAJX-YQVWRLOYSA-N -1 1 396.325 3.622 20 10 GHCDMM CCOc1cccc(N2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)c1 ZINC001236807296 1041907995 /nfs/dbraw/zinc/90/79/95/1041907995.db2.gz NKOFIPZOAKBNTM-UHFFFAOYSA-N -1 1 376.884 3.775 20 10 GHCDMM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cc(Br)cc1F ZINC001278046706 1042011688 /nfs/dbraw/zinc/01/16/88/1042011688.db2.gz XHYNJLLKLNKEPJ-HZPDHXFCSA-N -1 1 399.304 3.515 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])CC[C@@H]2C1 ZINC001237798795 1042375659 /nfs/dbraw/zinc/37/56/59/1042375659.db2.gz CMOWDOYNASYPNS-OCCSQVGLSA-N -1 1 384.879 3.874 20 10 GHCDMM Cn1c2ccccc2n(C2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)c1=O ZINC001237938087 1042428632 /nfs/dbraw/zinc/42/86/32/1042428632.db2.gz XOEHVUKELSJWDZ-UHFFFAOYSA-N -1 1 389.858 3.675 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCc2onc(COc3ccccn3)c2C1 ZINC001237938187 1042428733 /nfs/dbraw/zinc/42/87/33/1042428733.db2.gz VZZSNSUSHLSCBL-UHFFFAOYSA-N -1 1 389.814 3.705 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001237949888 1042435105 /nfs/dbraw/zinc/43/51/05/1042435105.db2.gz OAAYOHPXBFINLN-UHFFFAOYSA-N -1 1 390.821 3.522 20 10 GHCDMM O=c1[n-]c(-c2ccccn2)ncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978944 1043781234 /nfs/dbraw/zinc/78/12/34/1043781234.db2.gz YQSFDEHEQTZZAF-UHFFFAOYSA-N -1 1 382.383 3.752 20 10 GHCDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(O)cc1C(F)(F)F)C(=O)C2 ZINC001258986483 1044919131 /nfs/dbraw/zinc/91/91/31/1044919131.db2.gz SOJZZOZBAVUANY-QLJPJBMISA-N -1 1 391.411 3.548 20 10 GHCDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(F)c(O)c(F)c3)s2)cs1 ZINC001259982905 1045340248 /nfs/dbraw/zinc/34/02/48/1045340248.db2.gz ISSHYNPCNIONTG-UHFFFAOYSA-N -1 1 388.442 3.965 20 10 GHCDMM O=C(NCCCCc1nc(-c2ccccn2)cs1)c1c(F)ccc(O)c1[O-] ZINC001306869862 1048936690 /nfs/dbraw/zinc/93/66/90/1048936690.db2.gz YFDSGXWHUOIZFE-UHFFFAOYSA-N -1 1 387.436 3.508 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC001311774566 1052389362 /nfs/dbraw/zinc/38/93/62/1052389362.db2.gz IXEWFAWXIRSZID-SJORKVTESA-N -1 1 378.831 3.904 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC001321435127 1056261904 /nfs/dbraw/zinc/26/19/04/1056261904.db2.gz LPOFBRLICCXEER-UHFFFAOYSA-N -1 1 379.851 3.655 20 10 GHCDMM CCn1c(C2SC=CC2=O)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001356278815 1057458068 /nfs/dbraw/zinc/45/80/68/1057458068.db2.gz SQXNFEMENFAEDQ-UHFFFAOYSA-N -1 1 398.488 3.537 20 10 GHCDMM C[C@@H]1Cc2cc(S(=O)(=O)NCc3cccc(Cl)c3[O-])cc(Cl)c2O1 ZINC001464786080 1065211381 /nfs/dbraw/zinc/21/13/81/1065211381.db2.gz BXNRHLHBMPJXAZ-SECBINFHSA-N -1 1 388.272 3.501 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(C2CCCCC2)n[nH]1 ZINC001467763171 1067457466 /nfs/dbraw/zinc/45/74/66/1067457466.db2.gz DRBNJUITHBXDET-UHFFFAOYSA-N -1 1 378.270 3.856 20 10 GHCDMM O=C(CCSc1ccc2c(c1)OCCO2)NCc1cccc(Cl)c1[O-] ZINC001472316978 1073417856 /nfs/dbraw/zinc/41/78/56/1073417856.db2.gz POGLQUZITABOPZ-UHFFFAOYSA-N -1 1 379.865 3.615 20 10 GHCDMM Cc1nc(-c2ccc(CCNC(=O)c3c(F)ccc(O)c3[O-])s2)cs1 ZINC001472472902 1073503662 /nfs/dbraw/zinc/50/36/62/1073503662.db2.gz BIEGFHJTQOFCEO-UHFFFAOYSA-N -1 1 378.450 3.703 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1ccc2sc(Cl)nc2c1 ZINC001475775037 1075018835 /nfs/dbraw/zinc/01/88/35/1075018835.db2.gz YNVXUCYCKYJVLU-UHFFFAOYSA-N -1 1 389.285 3.787 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000823503584 599310468 /nfs/dbraw/zinc/31/04/68/599310468.db2.gz HMOFZAYRPUDEGT-KPKJPENVSA-N -1 1 389.849 3.519 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000823503584 599310471 /nfs/dbraw/zinc/31/04/71/599310471.db2.gz HMOFZAYRPUDEGT-KPKJPENVSA-N -1 1 389.849 3.519 20 10 GHCDMM Cc1sc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nc1-c1ccccc1 ZINC000832956672 600828264 /nfs/dbraw/zinc/82/82/64/600828264.db2.gz QCUIUQRXMLYPPF-UHFFFAOYSA-N -1 1 388.470 3.926 20 10 GHCDMM Cc1sc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1-c1ccc(C)cc1 ZINC000832908004 601139857 /nfs/dbraw/zinc/13/98/57/601139857.db2.gz DWKPHUQJRPSQIZ-UHFFFAOYSA-N -1 1 388.470 3.926 20 10 GHCDMM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000820705259 606393144 /nfs/dbraw/zinc/39/31/44/606393144.db2.gz SKCMZKFNEQHKPO-QMJOALNRSA-N -1 1 391.547 3.708 20 10 GHCDMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760676 836705677 /nfs/dbraw/zinc/70/56/77/836705677.db2.gz VVFDFPWBUBEOEU-SECBINFHSA-N -1 1 389.805 3.841 20 10 GHCDMM CC(C)C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277585062 847135249 /nfs/dbraw/zinc/13/52/49/847135249.db2.gz SUBWLSFWAWTOPT-UONOGXRCSA-N -1 1 385.302 3.548 20 10 GHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000766046999 862536052 /nfs/dbraw/zinc/53/60/52/862536052.db2.gz AHBJGMVNTVZRHI-UHFFFAOYSA-N -1 1 375.446 3.717 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1nc(Cl)ccc1Cl ZINC000765754855 856051477 /nfs/dbraw/zinc/05/14/77/856051477.db2.gz XISZKQNNQASGLP-UHFFFAOYSA-N -1 1 376.037 3.787 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000765764064 856964018 /nfs/dbraw/zinc/96/40/18/856964018.db2.gz HAHIOCFLOPJRLM-UHFFFAOYSA-N -1 1 390.212 3.614 20 10 GHCDMM CO[C@@H](C)c1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765770263 857667686 /nfs/dbraw/zinc/66/76/86/857667686.db2.gz NQOMMSMCCQPKBX-VIFPVBQESA-N -1 1 385.283 3.557 20 10 GHCDMM Cc1cccc(OCCCNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764761509 859598054 /nfs/dbraw/zinc/59/80/54/859598054.db2.gz NNHXRWFVABGXOD-UHFFFAOYSA-N -1 1 393.281 3.731 20 10 GHCDMM COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765735271 860520065 /nfs/dbraw/zinc/52/00/65/860520065.db2.gz FYCNWNBREVEROB-GJZGRUSLSA-N -1 1 376.250 3.583 20 10 GHCDMM COc1ccc(C2(C(=O)NCc3cccc(Br)c3[O-])CCC2)cc1 ZINC000765746482 860556998 /nfs/dbraw/zinc/55/69/98/860556998.db2.gz GYPDLXKLRJDLNW-UHFFFAOYSA-N -1 1 390.277 3.901 20 10 GHCDMM O=C(CCCc1ccc(O)c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765745954 860561056 /nfs/dbraw/zinc/56/10/56/860561056.db2.gz AYNPKBPYWIMPBG-UHFFFAOYSA-N -1 1 382.229 3.639 20 10 GHCDMM CO[C@]1(C)CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000793215651 882013319 /nfs/dbraw/zinc/01/33/19/882013319.db2.gz DKNWLXTYSCBKLQ-CQSZACIVSA-N -1 1 393.119 3.918 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC(OCC3CC3)CC2)c1[O-] ZINC000743405660 868183058 /nfs/dbraw/zinc/18/30/58/868183058.db2.gz BKNLYMCTZNBEGR-UHFFFAOYSA-N -1 1 381.472 3.720 20 10 GHCDMM Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000263575245 870295656 /nfs/dbraw/zinc/29/56/56/870295656.db2.gz OSUNNWCEOIAEQW-CQSZACIVSA-N -1 1 394.393 3.702 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000263575245 870295673 /nfs/dbraw/zinc/29/56/73/870295673.db2.gz OSUNNWCEOIAEQW-CQSZACIVSA-N -1 1 394.393 3.702 20 10 GHCDMM Cc1cc(C(F)(F)F)nc2n[nH]c(NC(=O)c3ccc(O)c([O-])c3Cl)c21 ZINC001193209701 870945988 /nfs/dbraw/zinc/94/59/88/870945988.db2.gz NPKNSIVLPLQJDC-UHFFFAOYSA-N -1 1 386.717 3.602 20 10 GHCDMM O=C(Nc1cncc(Br)c1Cl)c1ccc(O)c([O-])c1Cl ZINC001193209485 870946090 /nfs/dbraw/zinc/94/60/90/870946090.db2.gz LLGOEZJOOJVOIY-UHFFFAOYSA-N -1 1 378.009 3.814 20 10 GHCDMM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)c(O)c1 ZINC001193228941 870990497 /nfs/dbraw/zinc/99/04/97/870990497.db2.gz BGVRTSJAEUEIOB-UHFFFAOYSA-N -1 1 379.796 3.664 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1csnc1-c1ccccc1 ZINC001195882848 872735923 /nfs/dbraw/zinc/73/59/23/872735923.db2.gz RNTRDCHRHAFCBG-UHFFFAOYSA-N -1 1 380.878 3.648 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC[C@@H](CCO)C1 ZINC000775680934 872812984 /nfs/dbraw/zinc/81/29/84/872812984.db2.gz LQCBXHNTXDKNMK-JTQLQIEISA-N -1 1 393.119 3.512 20 10 GHCDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000527247091 872865378 /nfs/dbraw/zinc/86/53/78/872865378.db2.gz JUYSWJHLDDUICU-UHFFFAOYSA-N -1 1 381.866 3.738 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3-c3ccccc32)c1 ZINC000769705124 874242343 /nfs/dbraw/zinc/24/23/43/874242343.db2.gz GVHFOVIMLJYCOT-UHFFFAOYSA-N -1 1 394.452 3.591 20 10 GHCDMM Cc1ccc(C(=O)N2CCSCC2)cc1NCc1cc(F)cc(F)c1[O-] ZINC001201192088 875553122 /nfs/dbraw/zinc/55/31/22/875553122.db2.gz HBXHPPHVEDAYGA-UHFFFAOYSA-N -1 1 378.444 3.780 20 10 GHCDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(Br)c1[O-] ZINC000772659086 876070884 /nfs/dbraw/zinc/07/08/84/876070884.db2.gz OCXSQGBKKMOFFZ-UHFFFAOYSA-N -1 1 399.628 3.955 20 10 GHCDMM CC(C)c1ccc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1 ZINC000761591709 880288955 /nfs/dbraw/zinc/28/89/55/880288955.db2.gz ZVUHEAMDBVKESO-UHFFFAOYSA-N -1 1 387.461 3.528 20 10 GHCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000010907410 881094075 /nfs/dbraw/zinc/09/40/75/881094075.db2.gz ZADWIZDOFRJNEO-UHFFFAOYSA-N -1 1 376.456 3.654 20 10 GHCDMM O=C(NCc1cc(Br)ccc1O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000804733154 883315725 /nfs/dbraw/zinc/31/57/25/883315725.db2.gz KJAARJOKXKVAGS-UHFFFAOYSA-N -1 1 390.155 3.809 20 10 GHCDMM O=C([N-]Cc1cc(Br)ccc1O)C(F)(F)c1c(F)cccc1F ZINC000804738537 883321698 /nfs/dbraw/zinc/32/16/98/883321698.db2.gz UICHZJOPAJKZIJ-UHFFFAOYSA-N -1 1 392.146 3.841 20 10 GHCDMM COc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000763257310 888399845 /nfs/dbraw/zinc/39/98/45/888399845.db2.gz FKGLETFINISBHV-HNNXBMFYSA-N -1 1 391.851 3.581 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)CCCCC2=O ZINC000811459621 889619457 /nfs/dbraw/zinc/61/94/57/889619457.db2.gz JMONQIJXFFEOEF-UHFFFAOYSA-N -1 1 388.261 3.994 20 10 GHCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1[O-] ZINC000917117898 891286506 /nfs/dbraw/zinc/28/65/06/891286506.db2.gz YQQCWFDENRGRFH-UHFFFAOYSA-N -1 1 375.266 3.685 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(Br)c1)c1ccc(-c2cnco2)cc1 ZINC001185222307 913738030 /nfs/dbraw/zinc/73/80/30/913738030.db2.gz QUCGEWRKUSSUBE-UHFFFAOYSA-N -1 1 395.234 3.611 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000773313261 904707447 /nfs/dbraw/zinc/70/74/47/904707447.db2.gz FKWGDXPCYKKFIQ-MRXNPFEDSA-N -1 1 380.448 3.511 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn([C@H]4CCCCO4)c3)c([O-])cc21 ZINC001174609634 907133980 /nfs/dbraw/zinc/13/39/80/907133980.db2.gz DELHIOSBOFIPEU-HXUWFJFHSA-N -1 1 389.411 3.807 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC001175196146 907408266 /nfs/dbraw/zinc/40/82/66/907408266.db2.gz WLKSVVDPPSCCKI-XHDPSFHLSA-N -1 1 382.888 3.736 20 10 GHCDMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(N(C)C)cc1 ZINC000773611631 908430781 /nfs/dbraw/zinc/43/07/81/908430781.db2.gz IMGTZZUYFAQSES-INIZCTEOSA-N -1 1 395.503 3.824 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNCc1ccn(-c2ccccc2)n1 ZINC001177525448 908609906 /nfs/dbraw/zinc/60/99/06/908609906.db2.gz VEXKYHUDTHCVQI-UHFFFAOYSA-N -1 1 376.229 3.769 20 10 GHCDMM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001180410494 910151659 /nfs/dbraw/zinc/15/16/59/910151659.db2.gz QOHDJDKQEWMYSL-WFASDCNBSA-N -1 1 382.888 3.697 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1sccc1NC(=O)c1ccncc1 ZINC001180409832 910151693 /nfs/dbraw/zinc/15/16/93/910151693.db2.gz FWZAQSVABJVJFT-UHFFFAOYSA-N -1 1 387.848 3.684 20 10 GHCDMM COc1c([O-])c(CN2Cc3cccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000775075915 914970248 /nfs/dbraw/zinc/97/02/48/914970248.db2.gz QWAXNRLBGBDWNE-UHFFFAOYSA-N -1 1 379.210 3.587 20 10 GHCDMM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758168953 929958043 /nfs/dbraw/zinc/95/80/43/929958043.db2.gz IKEJLTHGNQZHNF-UHFFFAOYSA-N -1 1 382.800 3.542 20 10 GHCDMM O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000781099717 930698669 /nfs/dbraw/zinc/69/86/69/930698669.db2.gz FYOZSEIVMIEUNW-XFFZJAGNSA-N -1 1 396.443 3.518 20 10 GHCDMM O=C(COC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783879131 931702197 /nfs/dbraw/zinc/70/21/97/931702197.db2.gz RNPSNICCZHSCPM-KBPBESRZSA-N -1 1 381.211 3.934 20 10 GHCDMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000798502858 932677532 /nfs/dbraw/zinc/67/75/32/932677532.db2.gz WUTYPGHFWRJREG-QGZVFWFLSA-N -1 1 378.831 3.715 20 10 GHCDMM Cc1sc(Br)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C ZINC000799544011 933031412 /nfs/dbraw/zinc/03/14/12/933031412.db2.gz ZPBURIPFFNQVIV-UHFFFAOYSA-N -1 1 385.235 3.578 20 10 GHCDMM CCN(CC)C(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000929312503 933344822 /nfs/dbraw/zinc/34/48/22/933344822.db2.gz TUKOZPOETWJEQU-UHFFFAOYSA-N -1 1 375.856 3.849 20 10 GHCDMM O=C(Nc1cc(-c2cccc(F)c2)ccn1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222364 1032462298 /nfs/dbraw/zinc/46/22/98/1032462298.db2.gz ONHWWJAJTPDKHA-UHFFFAOYSA-N -1 1 392.342 3.658 20 10 GHCDMM Cc1c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)snc1-c1ccccc1 ZINC001155222787 1032463522 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3.504 20 10 GHCDMM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(Cl)cc(Cl)c3[O-])O2)n1 ZINC001203575269 1027443622 /nfs/dbraw/zinc/44/36/22/1027443622.db2.gz IMDLOYBCJYQHCY-KFWWJZLASA-N -1 1 384.263 3.885 20 10 GHCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c(C)cc1[N+](=O)[O-] ZINC000840914733 1027949919 /nfs/dbraw/zinc/94/99/19/1027949919.db2.gz YFHVTYWRSOMEMO-UHFFFAOYSA-N -1 1 394.449 3.643 20 10 GHCDMM CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000840956432 1027985020 /nfs/dbraw/zinc/98/50/20/1027985020.db2.gz QMECXPQZAGHXOV-UHFFFAOYSA-N -1 1 392.279 3.922 20 10 GHCDMM Cc1c(Cl)cccc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217054422 1030125337 /nfs/dbraw/zinc/12/53/37/1030125337.db2.gz FGKJHZDCWDLANN-UHFFFAOYSA-N -1 1 385.851 3.903 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cc1CN1CCOCC1 ZINC001217055036 1030127577 /nfs/dbraw/zinc/12/75/77/1030127577.db2.gz ONDRTWYBFQXGMB-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM O=C(CNC(=O)c1ccc2ccc(-c3ccccc3)nc2c1)c1ccc([O-])c(O)c1 ZINC001152623205 1031306810 /nfs/dbraw/zinc/30/68/10/1031306810.db2.gz CMUNHPUXODIMMR-UHFFFAOYSA-N -1 1 398.418 3.926 20 10 GHCDMM CC(C)c1ccc(N2CC[C@H](C(=O)NCc3cccc(Cl)c3[O-])C2=O)cc1 ZINC001159034413 1034394030 /nfs/dbraw/zinc/39/40/30/1034394030.db2.gz VOWWMYZJVNYERM-QGZVFWFLSA-N -1 1 386.879 3.838 20 10 GHCDMM O=C([O-])c1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c(O)c1 ZINC001231453423 1034596747 /nfs/dbraw/zinc/59/67/47/1034596747.db2.gz GHLREEDHBUCUKH-UHFFFAOYSA-N -1 1 398.356 3.571 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cnn(CC3CC3)c21 ZINC001231912372 1034987128 /nfs/dbraw/zinc/98/71/28/1034987128.db2.gz ZMJLOPAIFWZLKC-KRWDZBQOSA-N -1 1 375.900 3.788 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001233027820 1038778517 /nfs/dbraw/zinc/77/85/17/1038778517.db2.gz DMVQIOJSDVYDLS-UHFFFAOYSA-N -1 1 380.204 3.684 20 10 GHCDMM [O-]c1c(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cccc1C(F)(F)F ZINC001233416358 1039271579 /nfs/dbraw/zinc/27/15/79/1039271579.db2.gz FXROYILSOTYALW-FRQCXROJSA-N -1 1 394.393 3.617 20 10 GHCDMM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277829712 1039807620 /nfs/dbraw/zinc/80/76/20/1039807620.db2.gz ITGXGDLCAZPHFF-CWTRNNRKSA-N -1 1 399.318 3.634 20 10 GHCDMM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277829710 1039808228 /nfs/dbraw/zinc/80/82/28/1039808228.db2.gz ITGXGDLCAZPHFF-BLVKFPJESA-N -1 1 399.318 3.634 20 10 GHCDMM CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235064000 1040552536 /nfs/dbraw/zinc/55/25/36/1040552536.db2.gz CPSVWPIPQVYXEV-NSHDSACASA-N -1 1 388.277 3.848 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001237080606 1042026865 /nfs/dbraw/zinc/02/68/65/1042026865.db2.gz UQUHOEOLLOAWET-CQSZACIVSA-N -1 1 396.318 3.954 20 10 GHCDMM O=C(Cc1ccsc1)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237086446 1042028674 /nfs/dbraw/zinc/02/86/74/1042028674.db2.gz LNKSVUCKQWPSNG-UHFFFAOYSA-N -1 1 385.316 3.647 20 10 GHCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2cnn(CC3CC3)c21 ZINC001237121035 1042048748 /nfs/dbraw/zinc/04/87/48/1042048748.db2.gz IEZSGKLRWWSGRK-HNNXBMFYSA-N -1 1 393.890 3.927 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001237777971 1042364602 /nfs/dbraw/zinc/36/46/02/1042364602.db2.gz QVQTZUIECAFCMT-NSHDSACASA-N -1 1 385.167 3.566 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCOC2(CCCCC2)C1 ZINC001237781030 1042365222 /nfs/dbraw/zinc/36/52/22/1042365222.db2.gz APFBCQMYRCHUPV-UHFFFAOYSA-N -1 1 387.261 3.532 20 10 GHCDMM CN(Cc1cnn(C)c1)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237784474 1042367135 /nfs/dbraw/zinc/36/71/35/1042367135.db2.gz TWJQQOLLJIZUAP-UHFFFAOYSA-N -1 1 378.192 3.539 20 10 GHCDMM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001462667404 1070457657 /nfs/dbraw/zinc/45/76/57/1070457657.db2.gz NQQCNMDUFOLMTQ-LBPRGKRZSA-N -1 1 391.493 3.912 20 10 GHCDMM Cc1ccc([N-]S(C)(=O)=O)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256992660 1043791347 /nfs/dbraw/zinc/79/13/47/1043791347.db2.gz ZRKAJAIKIYEDPG-UHFFFAOYSA-N -1 1 394.456 3.874 20 10 GHCDMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cccc4nsnc43)cc2o1 ZINC001260388210 1045486506 /nfs/dbraw/zinc/48/65/06/1045486506.db2.gz ZTCPLALMICGUHR-UHFFFAOYSA-N -1 1 380.838 3.595 20 10 GHCDMM O=S(=O)([N-]c1cc(C(F)(F)F)c(F)cc1F)c1cccc2nsnc21 ZINC001260387908 1045486611 /nfs/dbraw/zinc/48/66/11/1045486611.db2.gz CICHJKUGBMMWKZ-UHFFFAOYSA-N -1 1 395.334 3.789 20 10 GHCDMM CCC(CC)(NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1nn[n-]n1 ZINC001297487716 1045538933 /nfs/dbraw/zinc/53/89/33/1045538933.db2.gz MNGJKKAIAKUGIZ-UHFFFAOYSA-N -1 1 380.496 3.669 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(O)cc1O)c1c(Cl)cc(Cl)cc1Cl ZINC001260558993 1045545677 /nfs/dbraw/zinc/54/56/77/1045545677.db2.gz KXWZTKWXTXCILX-UHFFFAOYSA-N -1 1 382.652 3.537 20 10 GHCDMM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cc1Cl ZINC001261072923 1045887842 /nfs/dbraw/zinc/88/78/42/1045887842.db2.gz IJXXXQCIVRRFJF-UHFFFAOYSA-N -1 1 376.196 3.778 20 10 GHCDMM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001305084052 1047887902 /nfs/dbraw/zinc/88/79/02/1047887902.db2.gz FSDDXYQTJQZQLT-UHFFFAOYSA-N -1 1 382.169 3.539 20 10 GHCDMM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279665493 1047904993 /nfs/dbraw/zinc/90/49/93/1047904993.db2.gz OVEBZSVQYFEULQ-OKILXGFUSA-N -1 1 393.274 3.585 20 10 GHCDMM O=C(NC1CC1)c1cccc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC001308355242 1049957056 /nfs/dbraw/zinc/95/70/56/1049957056.db2.gz XOZYPPASPMKEFD-UHFFFAOYSA-N -1 1 379.229 3.798 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001308967912 1050229850 /nfs/dbraw/zinc/22/98/50/1050229850.db2.gz DOWZGKOWGKCXPY-TXEJJXNPSA-N -1 1 395.263 3.920 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001309595365 1050845939 /nfs/dbraw/zinc/84/59/39/1050845939.db2.gz UJENQFOLGRZXAJ-CQSZACIVSA-N -1 1 390.480 3.856 20 10 GHCDMM O=C(NCCCOCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC001320785479 1055960742 /nfs/dbraw/zinc/96/07/42/1055960742.db2.gz KRCFADMNMJJPGC-UHFFFAOYSA-N -1 1 393.281 3.561 20 10 GHCDMM CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001321035519 1056066168 /nfs/dbraw/zinc/06/61/68/1056066168.db2.gz CMTKIEDUJIBTJM-UHFFFAOYSA-N -1 1 381.384 3.916 20 10 GHCDMM Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001457038582 1062957281 /nfs/dbraw/zinc/95/72/81/1062957281.db2.gz XTKGJZIGVOKZQB-UHFFFAOYSA-N -1 1 377.778 3.748 20 10 GHCDMM COc1cccc2[nH]c(C(=O)NCc3cccc(Br)c3[O-])cc21 ZINC001467763194 1067457660 /nfs/dbraw/zinc/45/76/60/1067457660.db2.gz FHBJHIVOAHMVPL-UHFFFAOYSA-N -1 1 375.222 3.575 20 10 GHCDMM Cc1cc(C(=O)CSc2ncc(C)c(=O)[n-]2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000849901173 1067989814 /nfs/dbraw/zinc/98/98/14/1067989814.db2.gz NUWGOXCNBONHQB-UHFFFAOYSA-N -1 1 397.456 3.602 20 10 GHCDMM C/C(=C/C(=O)NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000765757655 1068120732 /nfs/dbraw/zinc/12/07/32/1068120732.db2.gz SIZDJKIFNLLKLH-LUAWRHEFSA-N -1 1 391.221 3.783 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000765770332 1068121757 /nfs/dbraw/zinc/12/17/57/1068121757.db2.gz OKOVFJFJROORAC-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM CC(C)(C)OC(=O)NCC1(CCNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC001478924645 1079027397 /nfs/dbraw/zinc/02/73/97/1079027397.db2.gz ZYTBWTQUBFVGIA-UHFFFAOYSA-N -1 1 397.903 3.540 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(Cl)ncc1Br ZINC001472316655 1073416915 /nfs/dbraw/zinc/41/69/15/1073416915.db2.gz BTUJBTSVAWZOLG-UHFFFAOYSA-N -1 1 376.037 3.787 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001472315863 1073417012 /nfs/dbraw/zinc/41/70/12/1073417012.db2.gz HEECKJNOONSXEX-LDADJPATSA-N -1 1 396.830 3.726 20 10 GHCDMM C[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CN1C(=O)OC(C)(C)C ZINC001479079645 1079095739 /nfs/dbraw/zinc/09/57/39/1079095739.db2.gz ZTCCCRPRKLWSIS-JSGCOSHPSA-N -1 1 397.903 3.633 20 10 GHCDMM COc1ccccc1NC(=O)c1c(C)[nH]nc1NCc1cc(F)cc(F)c1[O-] ZINC001474171680 1074283019 /nfs/dbraw/zinc/28/30/19/1074283019.db2.gz FQEQOUDGOVUVIJ-UHFFFAOYSA-N -1 1 388.374 3.575 20 10 GHCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1[O-] ZINC001603103284 1126227374 /nfs/dbraw/zinc/22/73/74/1126227374.db2.gz LADZEMUTHXENDB-IBGZPJMESA-N -1 1 379.815 3.563 20 10 GHCDMM Cc1sc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)nc1-c1ccccc1 ZINC000738996113 599966860 /nfs/dbraw/zinc/96/68/60/599966860.db2.gz MWWXKKZJZIWEJK-UHFFFAOYSA-N -1 1 388.470 3.926 20 10 GHCDMM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000822196752 606393834 /nfs/dbraw/zinc/39/38/34/606393834.db2.gz VYXKWWYZNADUNY-RIYZIHGNSA-N -1 1 399.526 3.951 20 10 GHCDMM CO[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@H](C)C1 ZINC000799738119 835663137 /nfs/dbraw/zinc/66/31/37/835663137.db2.gz RADDCKLJYHTKBL-SKDRFNHKSA-N -1 1 393.119 3.917 20 10 GHCDMM Cc1sc2nc(CCC(=O)NCc3cccc(Cl)c3[O-])[nH]c(=O)c2c1C ZINC000890757922 836685263 /nfs/dbraw/zinc/68/52/63/836685263.db2.gz NECCOEHMCLTSLN-UHFFFAOYSA-N -1 1 391.880 3.622 20 10 GHCDMM CC(C)(C)[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277319754 845702734 /nfs/dbraw/zinc/70/27/34/845702734.db2.gz DJROHTXBXHVZEP-GXTWGEPZSA-N -1 1 385.302 3.548 20 10 GHCDMM CCc1nc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000277498577 846508602 /nfs/dbraw/zinc/50/86/02/846508602.db2.gz RCBDAMGLTMPKMW-SECBINFHSA-N -1 1 384.299 3.734 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000732526454 862337087 /nfs/dbraw/zinc/33/70/87/862337087.db2.gz SDVRFYGFDZSVMP-UHFFFAOYSA-N -1 1 386.395 3.986 20 10 GHCDMM O=C(CNc1cc(C(F)(F)F)c(Br)cn1)c1ccc([O-])c(O)c1 ZINC001170314554 881344704 /nfs/dbraw/zinc/34/47/04/881344704.db2.gz DDKPECPKIMNXSQ-UHFFFAOYSA-N -1 1 391.143 3.569 20 10 GHCDMM O=C(NCc1ccccc1O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000760948208 856715158 /nfs/dbraw/zinc/71/51/58/856715158.db2.gz ROCYZCPKYRBBSN-UHFFFAOYSA-N -1 1 397.456 3.515 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])C1(Cc2ccc(F)cc2)CC1 ZINC000765770995 857706278 /nfs/dbraw/zinc/70/62/78/857706278.db2.gz UVYUXMCIZGUNPC-UHFFFAOYSA-N -1 1 378.241 3.933 20 10 GHCDMM O=C(CNc1ccc(OCCCc2ccccn2)cc1)c1ccc([O-])c(O)c1 ZINC001170322140 881357311 /nfs/dbraw/zinc/35/73/11/881357311.db2.gz FTGCDIKNZUYLMS-UHFFFAOYSA-N -1 1 378.428 3.799 20 10 GHCDMM O=C(NCCc1ccc(Cl)s1)NCc1cccc(Br)c1[O-] ZINC000764762449 859598232 /nfs/dbraw/zinc/59/82/32/859598232.db2.gz GCXXCRNYUIIGJQ-UHFFFAOYSA-N -1 1 389.702 3.912 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000764786041 859618943 /nfs/dbraw/zinc/61/89/43/859618943.db2.gz XZJYCTDSBYVUTC-YGRLFVJLSA-N -1 1 397.219 3.788 20 10 GHCDMM CC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765228127 859855697 /nfs/dbraw/zinc/85/56/97/859855697.db2.gz RTSVGMOEXJMLBC-UHFFFAOYSA-N -1 1 392.253 3.743 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1c(F)cc(F)cc1F ZINC000765301616 859897757 /nfs/dbraw/zinc/89/77/57/859897757.db2.gz DCZRACCLHJABFE-UHFFFAOYSA-N -1 1 375.144 3.894 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnc2c(c1)CCCC2 ZINC000765341840 859920174 /nfs/dbraw/zinc/92/01/74/859920174.db2.gz IOUDIDSITUMSOY-UHFFFAOYSA-N -1 1 376.254 3.750 20 10 GHCDMM CC(C)(C)[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000765344205 859921783 /nfs/dbraw/zinc/92/17/83/859921783.db2.gz AKRFMUCVCZSMTC-NSHDSACASA-N -1 1 383.208 3.931 20 10 GHCDMM CC[C@@H](C)n1ncc(NC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765387787 859951780 /nfs/dbraw/zinc/95/17/80/859951780.db2.gz GIMRWYGDJDNHOJ-SNVBAGLBSA-N -1 1 381.274 3.952 20 10 GHCDMM O=C(CCCc1nc2ccccc2[nH]1)NCc1cccc(Br)c1[O-] ZINC000765746093 860558703 /nfs/dbraw/zinc/55/87/03/860558703.db2.gz DHKSFGUPCXTHFO-UHFFFAOYSA-N -1 1 388.265 3.670 20 10 GHCDMM CCOc1ccc(CCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765748087 860560208 /nfs/dbraw/zinc/56/02/08/860560208.db2.gz VKHSSNLLYBPSAH-UHFFFAOYSA-N -1 1 378.266 3.802 20 10 GHCDMM COc1cccc(/C(C)=C/C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752870 860567109 /nfs/dbraw/zinc/56/71/09/860567109.db2.gz ZNSTWUVFOQGBJB-FMIVXFBMSA-N -1 1 376.250 3.883 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000792702299 881626877 /nfs/dbraw/zinc/62/68/77/881626877.db2.gz QAXHRLLOJUDPHI-UHFFFAOYSA-N -1 1 393.408 3.856 20 10 GHCDMM O=C(NCCc1cc(Br)cs1)c1ccc(O)c([O-])c1Cl ZINC001193254007 870978229 /nfs/dbraw/zinc/97/82/29/870978229.db2.gz FPDBZOBSYVGOKA-UHFFFAOYSA-N -1 1 376.659 3.548 20 10 GHCDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)c1 ZINC000767717155 872782123 /nfs/dbraw/zinc/78/21/23/872782123.db2.gz YAVXTMYBFJHBSR-UHFFFAOYSA-N -1 1 390.505 3.741 20 10 GHCDMM CCC1(O)CCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000775716926 873088954 /nfs/dbraw/zinc/08/89/54/873088954.db2.gz IPICQVOKJYXQTL-UHFFFAOYSA-N -1 1 393.119 3.654 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c(Br)c1 ZINC001198076030 874199728 /nfs/dbraw/zinc/19/97/28/874199728.db2.gz DRFVOQGPAYSQFJ-UHFFFAOYSA-N -1 1 386.267 3.581 20 10 GHCDMM CCSc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1 ZINC000771667045 875367194 /nfs/dbraw/zinc/36/71/94/875367194.db2.gz QICSPBMZOCCRAL-UHFFFAOYSA-N -1 1 391.474 3.593 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1[O-] ZINC000787287886 877295297 /nfs/dbraw/zinc/29/52/97/877295297.db2.gz BKMWZVZERXLWBM-CYBMUJFWSA-N -1 1 381.791 3.531 20 10 GHCDMM COc1ccc(OC)c(CN(CCO)Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000093361514 912222743 /nfs/dbraw/zinc/22/27/43/912222743.db2.gz COUOVGBIRXLKKY-UHFFFAOYSA-N -1 1 386.275 3.711 20 10 GHCDMM CCC(O)(CC)C(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852477200 878364050 /nfs/dbraw/zinc/36/40/50/878364050.db2.gz ZBCZUQNIEQYCHU-UHFFFAOYSA-N -1 1 387.318 3.531 20 10 GHCDMM C[C@@H](N[C@H](C)c1cc(Br)cc(Cl)c1[O-])c1nnnn1C1CC1 ZINC000790753795 879956227 /nfs/dbraw/zinc/95/62/27/879956227.db2.gz FQPYTLZHFIRZGK-HTQZYQBOSA-N -1 1 386.681 3.541 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c1[O-] ZINC000794772753 888008478 /nfs/dbraw/zinc/00/84/78/888008478.db2.gz QNIVUCZOTJIAFG-UHFFFAOYSA-N -1 1 390.842 3.651 20 10 GHCDMM COCc1nc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])cs1 ZINC000810253320 888355930 /nfs/dbraw/zinc/35/59/30/888355930.db2.gz QVKKPCPULCNNMG-MRVPVSSYSA-N -1 1 375.263 3.748 20 10 GHCDMM [O-]c1c(Br)cccc1CNC(=S)NCCCCC(F)(F)F ZINC000794987672 889268160 /nfs/dbraw/zinc/26/81/60/889268160.db2.gz AUNXSIPLYROCHY-UHFFFAOYSA-N -1 1 385.249 3.851 20 10 GHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(Br)cc1Cl ZINC001184809846 913450898 /nfs/dbraw/zinc/45/08/98/913450898.db2.gz XFDZKOAXJFCRSR-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM CC1(C)N[C@@H](c2cc(O)cc(Br)c2[O-])N(CC2CCCCC2)C1=O ZINC000877856362 893857416 /nfs/dbraw/zinc/85/74/16/893857416.db2.gz BQAKNUYMCOWVTN-MRXNPFEDSA-N -1 1 397.313 3.650 20 10 GHCDMM CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816606972 894968112 /nfs/dbraw/zinc/96/81/12/894968112.db2.gz AJFWRUAPGZBLMY-NSHDSACASA-N -1 1 386.876 3.874 20 10 GHCDMM COc1c([O-])c(CN2CCc3cccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000774887104 913935074 /nfs/dbraw/zinc/93/50/74/913935074.db2.gz YXCLPOXOYZZWGY-UHFFFAOYSA-N -1 1 393.237 3.630 20 10 GHCDMM CCn1cc(C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C(C)C)cn1 ZINC000844739655 901255222 /nfs/dbraw/zinc/25/52/22/901255222.db2.gz VCLRJLSJUCGHEL-UHFFFAOYSA-N -1 1 393.487 3.956 20 10 GHCDMM CCn1cc(C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C(C)C)cn1 ZINC000844739655 901255230 /nfs/dbraw/zinc/25/52/30/901255230.db2.gz VCLRJLSJUCGHEL-UHFFFAOYSA-N -1 1 393.487 3.956 20 10 GHCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@H]1/C=C\c1cccs1)cc2=O ZINC000846258394 902832252 /nfs/dbraw/zinc/83/22/52/902832252.db2.gz HKTAFRWTTCQPMX-LZNQSLFOSA-N -1 1 398.488 3.653 20 10 GHCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@H]1/C=C/c1cccs1)cc2=O ZINC000846258383 902832547 /nfs/dbraw/zinc/83/25/47/902832547.db2.gz HKTAFRWTTCQPMX-KIUWMYQTSA-N -1 1 398.488 3.653 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000773256369 904619251 /nfs/dbraw/zinc/61/92/51/904619251.db2.gz BWWKFVHFOAABRW-ZWKOTPCHSA-N -1 1 395.499 3.967 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000773256369 904619257 /nfs/dbraw/zinc/61/92/57/904619257.db2.gz BWWKFVHFOAABRW-ZWKOTPCHSA-N -1 1 395.499 3.967 20 10 GHCDMM O=C(Nc1ccc(NCc2cc(Br)cc(F)c2[O-])cn1)C1CC1 ZINC001178263822 908997424 /nfs/dbraw/zinc/99/74/24/908997424.db2.gz XWZQKPLKLXPEBG-UHFFFAOYSA-N -1 1 380.217 3.649 20 10 GHCDMM Cc1c(NCc2cc(Br)cc(F)c2[O-])cccc1N1CCNC1=O ZINC001178576275 909130696 /nfs/dbraw/zinc/13/06/96/909130696.db2.gz MAGMWZKNGJPLMU-UHFFFAOYSA-N -1 1 394.244 3.744 20 10 GHCDMM COc1cc(I)ccc1NCc1cc(F)cc(F)c1[O-] ZINC001178790847 909230093 /nfs/dbraw/zinc/23/00/93/909230093.db2.gz FNYRXRRYZWCJBB-UHFFFAOYSA-N -1 1 391.155 3.896 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cccc(-c2ccccc2)c1 ZINC000795304239 909789862 /nfs/dbraw/zinc/78/98/62/909789862.db2.gz LFBZECQYDLDHJA-UHFFFAOYSA-N -1 1 394.496 3.991 20 10 GHCDMM Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000775148033 915568680 /nfs/dbraw/zinc/56/86/80/915568680.db2.gz WRINMSMUBYUKRA-HZMBPMFUSA-N -1 1 382.220 3.598 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000827294611 925201700 /nfs/dbraw/zinc/20/17/00/925201700.db2.gz IITCPIPHRKUAHW-GFCCVEGCSA-N -1 1 379.815 3.822 20 10 GHCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1Cc1ccccc1 ZINC000782099243 931090289 /nfs/dbraw/zinc/09/02/89/931090289.db2.gz ZBQGYZLWWMCWSQ-UHFFFAOYSA-N -1 1 379.412 3.604 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc([O-])c(O)c1 ZINC000783819839 931667661 /nfs/dbraw/zinc/66/76/61/931667661.db2.gz AJQYDTHPEGDSLR-CHWSQXEVSA-N -1 1 396.317 3.526 20 10 GHCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1OC(F)F ZINC000784066977 931773326 /nfs/dbraw/zinc/77/33/26/931773326.db2.gz OWYRHINGBPAUEB-DHZHZOJOSA-N -1 1 378.327 3.529 20 10 GHCDMM O=C(COC(=O)C1(c2c(Cl)cccc2Cl)CC1)c1ccc([O-])c(O)c1 ZINC000784117825 931789520 /nfs/dbraw/zinc/78/95/20/931789520.db2.gz OJGNIPUBFOADBM-UHFFFAOYSA-N -1 1 381.211 3.862 20 10 GHCDMM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000931024803 934340991 /nfs/dbraw/zinc/34/09/91/934340991.db2.gz LNTLAIKXIFAHMA-UHFFFAOYSA-N -1 1 387.867 3.816 20 10 GHCDMM Cc1cc(Br)cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1O ZINC001594272085 957684606 /nfs/dbraw/zinc/68/46/06/957684606.db2.gz RDZUBVQCJIITIH-INIZCTEOSA-N -1 1 376.250 3.647 20 10 GHCDMM CN(C)c1cc(F)c(CN2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1F ZINC001598306178 991264088 /nfs/dbraw/zinc/26/40/88/991264088.db2.gz UGYRHSUIVUZZSC-NSHDSACASA-N -1 1 381.448 3.565 20 10 GHCDMM Cc1nc2sccn2c1CN(C)Cc1cc(Br)cc(F)c1[O-] ZINC001204533095 1032955179 /nfs/dbraw/zinc/95/51/79/1032955179.db2.gz AWTJPLGFQPAOQK-UHFFFAOYSA-N -1 1 384.274 3.943 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(N2CCCC2)c1 ZINC000834475746 1021213251 /nfs/dbraw/zinc/21/32/51/1021213251.db2.gz CAQBPXMVVLJVSV-UHFFFAOYSA-N -1 1 375.266 3.685 20 10 GHCDMM C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756712490 1023784095 /nfs/dbraw/zinc/78/40/95/1023784095.db2.gz QXGOKTXSLOLPLB-XLKFXECMSA-N -1 1 390.199 3.956 20 10 GHCDMM C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)c(F)cc1[O-] ZINC000756833470 1023828701 /nfs/dbraw/zinc/82/87/01/1023828701.db2.gz ZZPAMHFIDLCWIF-VIFPVBQESA-N -1 1 394.244 3.657 20 10 GHCDMM C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)c(F)cc1[O-] ZINC000756855678 1023836188 /nfs/dbraw/zinc/83/61/88/1023836188.db2.gz LUEYMBYZTGXJES-MRVPVSSYSA-N -1 1 381.201 3.912 20 10 GHCDMM CCOCCCNC(=O)c1cccc(N[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756882939 1023845932 /nfs/dbraw/zinc/84/59/32/1023845932.db2.gz QOMQBLNEDPOCOS-CYBMUJFWSA-N -1 1 378.419 4.000 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])[C@@H](C(F)(F)F)C1 ZINC001138130751 1024186098 /nfs/dbraw/zinc/18/60/98/1024186098.db2.gz HCCSPDGKWSOAGQ-CYBMUJFWSA-N -1 1 378.366 3.515 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](Oc2ncccn2)C1 ZINC001141374256 1024767592 /nfs/dbraw/zinc/76/75/92/1024767592.db2.gz DBKPHTWIWJFVDO-ZDUSSCGKSA-N -1 1 398.688 3.642 20 10 GHCDMM COc1ccc(N2CC[C@H](CNC(=O)c3ccc4ccccc4c3[O-])C2)cc1 ZINC001162718763 1025891165 /nfs/dbraw/zinc/89/11/65/1025891165.db2.gz QAGSAZUBEWIRSY-MRXNPFEDSA-N -1 1 376.456 3.810 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001139132698 1025944258 /nfs/dbraw/zinc/94/42/58/1025944258.db2.gz ZIFNWKNRGTZPOZ-QFIPXVFZSA-N -1 1 383.419 3.694 20 10 GHCDMM O=C1OC[C@@H](c2ccccc2)N1C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683821 1026538449 /nfs/dbraw/zinc/53/84/49/1026538449.db2.gz FFQIAEXPCZZBRI-IBGZPJMESA-N -1 1 388.414 3.828 20 10 GHCDMM C[C@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001203565311 1027436285 /nfs/dbraw/zinc/43/62/85/1027436285.db2.gz ZXZXHGKYURLWEB-LKFCYVNXSA-N -1 1 393.119 3.510 20 10 GHCDMM NC(=O)c1ccc(OC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)cc1 ZINC001203582018 1027451034 /nfs/dbraw/zinc/45/10/34/1027451034.db2.gz MQBCQXMDIDMEAY-UHFFFAOYSA-N -1 1 395.286 3.841 20 10 GHCDMM COc1ccnc(OC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC001203586943 1027454791 /nfs/dbraw/zinc/45/47/91/1027454791.db2.gz WZSZOTKBYZNWEH-UHFFFAOYSA-N -1 1 384.263 3.541 20 10 GHCDMM COC(=O)c1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1F ZINC001214580942 1028804824 /nfs/dbraw/zinc/80/48/24/1028804824.db2.gz IVLKEGUGTJEPNB-UHFFFAOYSA-N -1 1 391.354 3.837 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(CO)c(F)c3F)c([O-])cc21 ZINC001215038292 1029006156 /nfs/dbraw/zinc/00/61/56/1029006156.db2.gz ICLPSALHACCSIY-UHFFFAOYSA-N -1 1 381.334 3.682 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1 ZINC000843412916 1029987054 /nfs/dbraw/zinc/98/70/54/1029987054.db2.gz BRBJZKMJJBLWRA-HZMBPMFUSA-N -1 1 382.220 3.598 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3cccc(F)c3Cl)no2)cc1CN1CCOCC1 ZINC001217054394 1030125633 /nfs/dbraw/zinc/12/56/33/1030125633.db2.gz DQCNAEKWBJNLAD-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM Cc1cc(Cl)cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1 ZINC001217055863 1030127417 /nfs/dbraw/zinc/12/74/17/1030127417.db2.gz BROFCGKMDPIYRM-UHFFFAOYSA-N -1 1 385.851 3.903 20 10 GHCDMM Cc1c(F)ccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1F ZINC001217056882 1030130630 /nfs/dbraw/zinc/13/06/30/1030130630.db2.gz VEWJGFUFHWLYGZ-UHFFFAOYSA-N -1 1 387.386 3.528 20 10 GHCDMM Cc1c([O-])cc2c(c1OC1CCC3(CC1)OCCO3)C(=O)c1ccccc1C2=O ZINC001229829470 1033739347 /nfs/dbraw/zinc/73/93/47/1033739347.db2.gz SLWWOOXWGMGJAD-UHFFFAOYSA-N -1 1 394.423 3.541 20 10 GHCDMM COc1ccc(CN2CCCCC(F)(F)C2)c([O-])c1I ZINC001248482222 1035908593 /nfs/dbraw/zinc/90/85/93/1035908593.db2.gz VSNKETIRDMRUFW-UHFFFAOYSA-N -1 1 397.203 3.627 20 10 GHCDMM COc1ccc(CN2Cc3cccc(C)c3C2)c([O-])c1I ZINC001248481942 1035908635 /nfs/dbraw/zinc/90/86/35/1035908635.db2.gz LKYJOOSNJAAKBG-UHFFFAOYSA-N -1 1 395.240 3.830 20 10 GHCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CC(F)(C4CC4)C3)c2)nc1C ZINC001232451602 1038234439 /nfs/dbraw/zinc/23/44/39/1038234439.db2.gz MWDAZOQOHPEXHS-UHFFFAOYSA-N -1 1 390.480 3.935 20 10 GHCDMM CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1c([O-])cc(Br)cc1F ZINC001233030441 1038781953 /nfs/dbraw/zinc/78/19/53/1038781953.db2.gz TWYCBJMVDJOUFQ-GFCCVEGCSA-N -1 1 388.277 3.990 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC12CC2 ZINC001233418662 1039279493 /nfs/dbraw/zinc/27/94/93/1039279493.db2.gz QAVITCVPFOJDKR-UHFFFAOYSA-N -1 1 386.414 3.996 20 10 GHCDMM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419536 1039280054 /nfs/dbraw/zinc/28/00/54/1039280054.db2.gz BOVHFEVCTSDBMZ-FUHWJXTLSA-N -1 1 395.377 3.526 20 10 GHCDMM O=C(c1ccc(F)cc1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418339 1039280709 /nfs/dbraw/zinc/28/07/09/1039280709.db2.gz CFJSOCZYPLCJIU-UHFFFAOYSA-N -1 1 382.357 3.508 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001234473647 1040056749 /nfs/dbraw/zinc/05/67/49/1040056749.db2.gz JKUYCZPOWZOLTQ-ZDUSSCGKSA-N -1 1 379.453 3.715 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC(O)(c2ccccc2F)CC1 ZINC001235066139 1040554592 /nfs/dbraw/zinc/55/45/92/1040554592.db2.gz WPNGKLAAWKYRJG-UHFFFAOYSA-N -1 1 398.247 3.917 20 10 GHCDMM COc1ccccc1O[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300871 1040772064 /nfs/dbraw/zinc/77/20/64/1040772064.db2.gz CAXZXAYIXDBRMT-CQSZACIVSA-N -1 1 396.256 3.956 20 10 GHCDMM C[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCOC2(CCC2)C1 ZINC001255607744 1041163042 /nfs/dbraw/zinc/16/30/42/1041163042.db2.gz GQUUOASRYCOOGX-KRWDZBQOSA-N -1 1 397.313 3.693 20 10 GHCDMM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277993106 1041801834 /nfs/dbraw/zinc/80/18/34/1041801834.db2.gz SMIWBQKSUGJRDE-BUXKBTBVSA-N -1 1 399.318 3.634 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN(C)CC(=O)OCc2ccccc2)c1 ZINC001236668497 1041816017 /nfs/dbraw/zinc/81/60/17/1041816017.db2.gz BPLPJPJXDBZIGE-UHFFFAOYSA-N -1 1 378.266 3.638 20 10 GHCDMM CCOC(=O)c1nc2c(s1)CN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237083256 1042027719 /nfs/dbraw/zinc/02/77/19/1042027719.db2.gz AQVRPYOPFHSSRE-UHFFFAOYSA-N -1 1 387.288 3.891 20 10 GHCDMM COc1cccc(C(=O)N2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)c1 ZINC001237085764 1042028770 /nfs/dbraw/zinc/02/87/70/1042028770.db2.gz HUEWTRURESFKBO-UHFFFAOYSA-N -1 1 395.286 3.666 20 10 GHCDMM [O-]c1c(CN2CC[C@@]3(CCCO3)C2)cc(Br)cc1C(F)(F)F ZINC001237784551 1042367368 /nfs/dbraw/zinc/36/73/68/1042367368.db2.gz WLYARWROXJGAHM-AWEZNQCLSA-N -1 1 380.204 3.928 20 10 GHCDMM C[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001237784919 1042368278 /nfs/dbraw/zinc/36/82/78/1042368278.db2.gz ZIRDZYOHGKHYJH-XPTSAGLGSA-N -1 1 382.220 3.766 20 10 GHCDMM CN(Cc1ccncn1)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237787507 1042369062 /nfs/dbraw/zinc/36/90/62/1042369062.db2.gz UFZUVOZJARZYHN-UHFFFAOYSA-N -1 1 376.176 3.596 20 10 GHCDMM Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(N)cc2)c1 ZINC001237984122 1042444554 /nfs/dbraw/zinc/44/45/54/1042444554.db2.gz CBMCPSGXSPAZEO-UHFFFAOYSA-N -1 1 380.469 3.917 20 10 GHCDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(N2CCC(C)CC2)c1 ZINC000740609356 1044026835 /nfs/dbraw/zinc/02/68/35/1044026835.db2.gz IOMWQZDFRCCIJD-UHFFFAOYSA-N -1 1 389.477 3.940 20 10 GHCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Br)cc1[O-] ZINC001294870276 1044824760 /nfs/dbraw/zinc/82/47/60/1044824760.db2.gz TXOLNYFXJGYJCJ-UHFFFAOYSA-N -1 1 376.250 3.669 20 10 GHCDMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1Cl)c1cccc2nonc21 ZINC001260440911 1045496257 /nfs/dbraw/zinc/49/62/57/1045496257.db2.gz YKQPLVBRYLMKPS-UHFFFAOYSA-N -1 1 393.730 3.576 20 10 GHCDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2[O-])nc1 ZINC001305084421 1047887290 /nfs/dbraw/zinc/88/72/90/1047887290.db2.gz IYRZKQFRVBGJHD-UHFFFAOYSA-N -1 1 377.828 3.718 20 10 GHCDMM COC(=O)c1c[n-]c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1 ZINC001307332119 1049207372 /nfs/dbraw/zinc/20/73/72/1049207372.db2.gz JPPFCSKKGAWJGE-UHFFFAOYSA-N -1 1 383.473 3.887 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccccc1Cn1cncn1 ZINC001308322710 1049948275 /nfs/dbraw/zinc/94/82/75/1049948275.db2.gz KWNUSHBEVGFZCK-UHFFFAOYSA-N -1 1 377.217 3.546 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCNC(=O)[C@H]2CC2CCCCC2)c1 ZINC001308823897 1050108982 /nfs/dbraw/zinc/10/89/82/1050108982.db2.gz AJMLMWYZUSNFAG-QGZVFWFLSA-N -1 1 395.341 3.734 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC001335415677 1052095393 /nfs/dbraw/zinc/09/53/93/1052095393.db2.gz BVYHNZPAFPXTNJ-GFCCVEGCSA-N -1 1 387.867 3.955 20 10 GHCDMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001339907316 1059549384 /nfs/dbraw/zinc/54/93/84/1059549384.db2.gz HRLHMUCLVQFBFX-ZDUSSCGKSA-N -1 1 389.883 3.573 20 10 GHCDMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001469566823 1068229378 /nfs/dbraw/zinc/22/93/78/1068229378.db2.gz SMXGDDGYOXUIEO-SGTLLEGYSA-N -1 1 378.856 3.630 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001470555314 1072623387 /nfs/dbraw/zinc/62/33/87/1072623387.db2.gz CPCITEOXSAIJDH-CQSZACIVSA-N -1 1 391.462 3.518 20 10 GHCDMM Cc1cccc(Oc2cc(CNC(=O)c3c(F)ccc(O)c3[O-])ccn2)c1C ZINC001472522119 1073529137 /nfs/dbraw/zinc/52/91/37/1073529137.db2.gz YGXWYMLLYKLNIB-UHFFFAOYSA-N -1 1 382.391 3.971 20 10 GHCDMM CCOC(=O)[C@@]1(F)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC12CCC2 ZINC001473634414 1074060184 /nfs/dbraw/zinc/06/01/84/1074060184.db2.gz KQBGWZHSDYRURA-IBGZPJMESA-N -1 1 383.847 3.506 20 10 GHCDMM Cc1cc([O-])c(C[NH2+][C@H](Cc2ccccc2Br)C(=O)[O-])c(Cl)c1 ZINC001607699928 1126234335 /nfs/dbraw/zinc/23/43/35/1126234335.db2.gz PHSRQSLZUVGUEH-OAHLLOKOSA-N -1 1 398.684 3.902 20 10 GHCDMM CC(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000820192354 599308610 /nfs/dbraw/zinc/30/86/10/599308610.db2.gz KYCHITAEBUNCJW-DHDCSXOGSA-N -1 1 397.485 3.989 20 10 GHCDMM CC(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000820192354 599308613 /nfs/dbraw/zinc/30/86/13/599308613.db2.gz KYCHITAEBUNCJW-DHDCSXOGSA-N -1 1 397.485 3.989 20 10 GHCDMM COC1CCC(N(C)CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)CC1 ZINC000831532030 601594996 /nfs/dbraw/zinc/59/49/96/601594996.db2.gz FSCMRSGDZWRPQH-UHFFFAOYSA-N -1 1 398.503 3.864 20 10 GHCDMM COC(=O)Cc1ccccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001213060053 834696290 /nfs/dbraw/zinc/69/62/90/834696290.db2.gz DAHVDSHSDUELHN-UHFFFAOYSA-N -1 1 387.391 3.627 20 10 GHCDMM COc1c([O-])c(CN[C@@H](C)c2nc(C3CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000278437664 835087044 /nfs/dbraw/zinc/08/70/44/835087044.db2.gz VGGSDNQOVWEGTI-NSHDSACASA-N -1 1 376.413 3.591 20 10 GHCDMM Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890757367 836682198 /nfs/dbraw/zinc/68/21/98/836682198.db2.gz BZBGQBSGTDAHCS-ZDUSSCGKSA-N -1 1 392.908 3.731 20 10 GHCDMM O=C([O-])c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1O ZINC000013464100 838819903 /nfs/dbraw/zinc/81/99/03/838819903.db2.gz ACEXSNLVFVJJFX-UHFFFAOYSA-N -1 1 395.742 3.563 20 10 GHCDMM O=C(c1ccc(O)cc1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000124032500 840662300 /nfs/dbraw/zinc/66/23/00/840662300.db2.gz BJRPABSMPMQVLZ-UHFFFAOYSA-N -1 1 390.823 3.754 20 10 GHCDMM COc1cc([C@H](C)NC(=O)NCc2cccc(Cl)c2[O-])cc(OC)c1OC ZINC000891898399 843713327 /nfs/dbraw/zinc/71/33/27/843713327.db2.gz GWYXUGLJRPZECL-NSHDSACASA-N -1 1 394.855 3.632 20 10 GHCDMM CSc1ccc(O[C@H](C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765764552 856939054 /nfs/dbraw/zinc/93/90/54/856939054.db2.gz MBQRZHQBHVICHB-LLVKDONJSA-N -1 1 396.306 3.960 20 10 GHCDMM C[C@H]1CCCC[C@H]1OCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764764813 859594223 /nfs/dbraw/zinc/59/42/23/859594223.db2.gz RHNNQEJOGBQHDL-SWLSCSKDSA-N -1 1 385.302 3.549 20 10 GHCDMM COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764764323 859600012 /nfs/dbraw/zinc/60/00/12/859600012.db2.gz OGCZHIMABKDDAJ-SNVBAGLBSA-N -1 1 397.244 3.863 20 10 GHCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1c(C)noc1C ZINC000764798660 859613715 /nfs/dbraw/zinc/61/37/15/859613715.db2.gz HFALIEPFCOKMEI-ZDUSSCGKSA-N -1 1 382.258 3.710 20 10 GHCDMM Cc1nc(-c2ccncc2)nc(NCc2cccc(Br)c2[O-])c1C ZINC000764935564 859690249 /nfs/dbraw/zinc/69/02/49/859690249.db2.gz XEJSSXXFZQTTRM-UHFFFAOYSA-N -1 1 385.265 3.658 20 10 GHCDMM COC(=O)c1sc(NCc2cccc(Br)c2[O-])nc1Cl ZINC000764934864 859690520 /nfs/dbraw/zinc/69/05/20/859690520.db2.gz PBWUIHLKZHGUKW-UHFFFAOYSA-N -1 1 377.647 3.663 20 10 GHCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1N(C)C ZINC000765229965 859856629 /nfs/dbraw/zinc/85/66/29/859856629.db2.gz XXUMUGSXDUDPBL-UHFFFAOYSA-N -1 1 378.270 3.851 20 10 GHCDMM COC(=O)Nc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765251842 859866583 /nfs/dbraw/zinc/86/65/83/859866583.db2.gz MNRWIASKWFATNA-UHFFFAOYSA-N -1 1 394.225 3.655 20 10 GHCDMM COCCOc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765253568 859868944 /nfs/dbraw/zinc/86/89/44/859868944.db2.gz TXYGWBHGQKAOOX-UHFFFAOYSA-N -1 1 395.253 3.502 20 10 GHCDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])c2n[nH]cc21 ZINC000765283987 859888001 /nfs/dbraw/zinc/88/80/01/859888001.db2.gz UGJPMVIAWPKLTK-UHFFFAOYSA-N -1 1 375.226 3.661 20 10 GHCDMM O=C(Cc1ccc(Br)cc1)NCc1cccc(Br)c1[O-] ZINC000765751204 860565167 /nfs/dbraw/zinc/56/51/67/860565167.db2.gz ADVFCXCTGSROJE-UHFFFAOYSA-N -1 1 399.082 3.776 20 10 GHCDMM COc1ccc2cc(C(=O)NCc3cccc(Br)c3[O-])[nH]c2c1 ZINC000765753711 860591329 /nfs/dbraw/zinc/59/13/29/860591329.db2.gz PHOXSCYCFOBMBX-UHFFFAOYSA-N -1 1 375.222 3.575 20 10 GHCDMM Cc1cc(C)c(S(=O)(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000766199851 863850184 /nfs/dbraw/zinc/85/01/84/863850184.db2.gz JXUNYSRJSCEBKJ-UHFFFAOYSA-N -1 1 384.295 3.558 20 10 GHCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1[O-] ZINC000857455606 882273488 /nfs/dbraw/zinc/27/34/88/882273488.db2.gz GDAZFWFERAUDOH-ZDUSSCGKSA-N -1 1 380.366 3.532 20 10 GHCDMM O=C(Nc1n[nH]c2ccc(Br)cc21)c1ccc(O)c([O-])c1Cl ZINC001193209189 870945844 /nfs/dbraw/zinc/94/58/44/870945844.db2.gz GOGUVTYIKDXOBO-UHFFFAOYSA-N -1 1 382.601 3.642 20 10 GHCDMM O=C(Nc1ccccc1I)c1ccc(O)c([O-])c1Cl ZINC001193232505 870962271 /nfs/dbraw/zinc/96/22/71/870962271.db2.gz LWLNRWYDKJUCMP-UHFFFAOYSA-N -1 1 389.576 3.608 20 10 GHCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001193232143 870962913 /nfs/dbraw/zinc/96/29/13/870962913.db2.gz FKDPTVARGMZZGD-STQMWFEESA-N -1 1 398.887 3.659 20 10 GHCDMM COc1cccc([C@@H]2CSCCN2C(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193232490 870962960 /nfs/dbraw/zinc/96/29/60/870962960.db2.gz LJYPGWITXQVCSO-AWEZNQCLSA-N -1 1 379.865 3.690 20 10 GHCDMM O=c1c(NCc2cc(Cl)c3cccnc3c2[O-])cccn1CC(F)(F)F ZINC001168526020 871056396 /nfs/dbraw/zinc/05/63/96/871056396.db2.gz POVIWAPRKMDADO-UHFFFAOYSA-N -1 1 383.757 3.930 20 10 GHCDMM Cn1cc(NCc2cc(Cl)c3cccnc3c2[O-])c(Br)cc1=O ZINC001168525315 882793102 /nfs/dbraw/zinc/79/31/02/882793102.db2.gz AKBGRYJTSGWAOV-UHFFFAOYSA-N -1 1 394.656 3.667 20 10 GHCDMM Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)sc1C ZINC000770628927 874805568 /nfs/dbraw/zinc/80/55/68/874805568.db2.gz GYAVUMDBNJLMGY-OAHLLOKOSA-N -1 1 379.913 3.513 20 10 GHCDMM Cc1cc(Br)c2c(c1)CN(C(=O)c1c([O-])c(O)ccc1F)CC2 ZINC001183239957 912382104 /nfs/dbraw/zinc/38/21/04/912382104.db2.gz VEWQIFBKOAMCLI-UHFFFAOYSA-N -1 1 380.213 3.506 20 10 GHCDMM CCCO[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203567417 912479425 /nfs/dbraw/zinc/47/94/25/912479425.db2.gz QJVGQROYDFYUSA-LBPRGKRZSA-N -1 1 393.119 3.918 20 10 GHCDMM O=c1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1-c1cccc(F)c1 ZINC001168525406 883597140 /nfs/dbraw/zinc/59/71/40/883597140.db2.gz CIPSVJATOWWCBE-UHFFFAOYSA-N -1 1 396.809 3.891 20 10 GHCDMM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(Cl)c2[O-])N1CC(F)F ZINC001275235836 912763400 /nfs/dbraw/zinc/76/34/00/912763400.db2.gz DJNUIKLRBYUTLU-CHWSQXEVSA-N -1 1 379.234 3.529 20 10 GHCDMM Cc1cc(C(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154879 884240296 /nfs/dbraw/zinc/24/02/96/884240296.db2.gz FPZXHFJTWOBSCI-LIRRHRJNSA-N -1 1 382.504 3.936 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC001299479570 912902878 /nfs/dbraw/zinc/90/28/78/912902878.db2.gz YCSGUNNKMNZXCX-ZDUSSCGKSA-N -1 1 391.309 3.890 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000808113780 886022266 /nfs/dbraw/zinc/02/22/66/886022266.db2.gz JBVKQEQOZSBTQR-UHFFFAOYSA-N -1 1 399.158 3.686 20 10 GHCDMM COC1CCN(c2ccc(CN3CCc4c(F)ccc(C(=O)[O-])c4C3)cc2)CC1 ZINC000863472777 887139163 /nfs/dbraw/zinc/13/91/63/887139163.db2.gz PGOPUWJCDCBIJO-UHFFFAOYSA-N -1 1 398.478 3.697 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000747831465 891204731 /nfs/dbraw/zinc/20/47/31/891204731.db2.gz ZGEYDXGXNVWHGE-QZTJIDSGSA-N -1 1 381.472 3.577 20 10 GHCDMM Cn1ncc(C(=O)OC(C)(C)C)c1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000877529891 893667101 /nfs/dbraw/zinc/66/71/01/893667101.db2.gz NWHVHMVUWHMOPL-UHFFFAOYSA-N -1 1 386.279 3.678 20 10 GHCDMM O=C(NC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1)C1CCCC1 ZINC001144300083 901651597 /nfs/dbraw/zinc/65/15/97/901651597.db2.gz RUGVTACSGDFEHH-UHFFFAOYSA-N -1 1 399.304 3.565 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)c1sc2cc(F)ccc2c1Cl ZINC001147993879 903948354 /nfs/dbraw/zinc/94/83/54/903948354.db2.gz ZHFFXYLESOFMFA-UHFFFAOYSA-N -1 1 379.796 3.718 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc(F)cc3F)CC2)c1[O-] ZINC001175460586 907584082 /nfs/dbraw/zinc/58/40/82/907584082.db2.gz AAQYIZNJQNYUQL-UHFFFAOYSA-N -1 1 380.822 3.849 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nccn1-c1ccccc1 ZINC000801759068 921461056 /nfs/dbraw/zinc/46/10/56/921461056.db2.gz XKPVRFDILPCBNM-UHFFFAOYSA-N -1 1 387.237 3.662 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(Oc3ncccc3F)CC2)c1[O-] ZINC000775206351 916290983 /nfs/dbraw/zinc/29/09/83/916290983.db2.gz MVGYDZWAJHZLAI-UHFFFAOYSA-N -1 1 381.791 3.531 20 10 GHCDMM O=C(c1ccc(Br)cc1)c1ccccc1[N-]S(=O)(=O)CC1CC1 ZINC001188968926 916316104 /nfs/dbraw/zinc/31/61/04/916316104.db2.gz LBZZACKLCKTEPO-UHFFFAOYSA-N -1 1 394.290 3.832 20 10 GHCDMM Cc1cc(S(=O)(=O)N(C)C)cc(NCc2c([O-])ccc(Cl)c2F)c1C ZINC000796402951 916496400 /nfs/dbraw/zinc/49/64/00/916496400.db2.gz UFZPHSOJEAUUQU-UHFFFAOYSA-N -1 1 386.876 3.664 20 10 GHCDMM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1O)c1onc(C2CC2)c1Cl ZINC001190975814 917677304 /nfs/dbraw/zinc/67/73/04/917677304.db2.gz MSTMTQAZLYEIPR-UHFFFAOYSA-N -1 1 397.667 3.696 20 10 GHCDMM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900128936 919892223 /nfs/dbraw/zinc/89/22/23/919892223.db2.gz ATZLRKUYDLDIRB-UHFFFAOYSA-N -1 1 392.459 3.561 20 10 GHCDMM COc1cc(NC(=O)NCc2cccc(Br)c2[O-])c(C)c(OC)c1 ZINC000800573962 920285693 /nfs/dbraw/zinc/28/56/93/920285693.db2.gz XUJWFFJYBYTORG-UHFFFAOYSA-N -1 1 395.253 3.802 20 10 GHCDMM Cc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(C)c1OCc1ccccn1 ZINC000726876241 926902640 /nfs/dbraw/zinc/90/26/40/926902640.db2.gz LKOPPQNEMHYHKJ-KGENOOAVSA-N -1 1 399.450 3.739 20 10 GHCDMM C[C@@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784435609 931894599 /nfs/dbraw/zinc/89/45/99/931894599.db2.gz NOEWRRKOTVHXMV-SNVBAGLBSA-N -1 1 389.454 3.614 20 10 GHCDMM COCCCOc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1OC ZINC000931380983 934532276 /nfs/dbraw/zinc/53/22/76/934532276.db2.gz QKBTZOGSTQCOBV-UHFFFAOYSA-N -1 1 394.855 3.791 20 10 GHCDMM CC1(C)COc2ccc(NC(=O)NCc3cccc(Cl)c3[O-])cc2NC1=O ZINC000932228285 934854770 /nfs/dbraw/zinc/85/47/70/934854770.db2.gz HKRDHYTVRLXSTP-UHFFFAOYSA-N -1 1 389.839 3.724 20 10 GHCDMM COC(=O)c1c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c2cc(F)ccc2n1C ZINC001593867124 955591712 /nfs/dbraw/zinc/59/17/12/955591712.db2.gz ZEBVMWSPFPIGRW-FUHWJXTLSA-N -1 1 396.418 3.507 20 10 GHCDMM CC[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cc(Br)ccc1[O-] ZINC001595305532 980448064 /nfs/dbraw/zinc/44/80/64/980448064.db2.gz RAIUTDGAZXUEHO-INIZCTEOSA-N -1 1 394.265 3.859 20 10 GHCDMM CCOc1ccc(C[C@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)C(=O)[O-])cc1 ZINC001597095392 986690071 /nfs/dbraw/zinc/69/00/71/986690071.db2.gz OEZPXOFPTHESHC-OAHLLOKOSA-N -1 1 377.868 3.786 20 10 GHCDMM COC(=O)C[C@H]1CCC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579949 1032470003 /nfs/dbraw/zinc/47/00/03/1032470003.db2.gz CCRUGBOCIILFRE-KBPBESRZSA-N -1 1 394.423 3.668 20 10 GHCDMM C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756712484 1023784154 /nfs/dbraw/zinc/78/41/54/1023784154.db2.gz QXGOKTXSLOLPLB-CLAHSXSESA-N -1 1 390.199 3.956 20 10 GHCDMM C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)c(F)cc1[O-] ZINC000756855680 1023836802 /nfs/dbraw/zinc/83/68/02/1023836802.db2.gz LUEYMBYZTGXJES-QMMMGPOBSA-N -1 1 381.201 3.912 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H](Oc2ccccn2)C1 ZINC001141375218 1024768578 /nfs/dbraw/zinc/76/85/78/1024768578.db2.gz ZLXCTVOVSMFVCO-ZDUSSCGKSA-N -1 1 383.673 3.856 20 10 GHCDMM COCCC[C@@H](CNC(=O)c1c([O-])c(O)ccc1F)c1ccc(Cl)cc1 ZINC000831786985 1024862643 /nfs/dbraw/zinc/86/26/43/1024862643.db2.gz KAJVQIFFCHLAGO-ZDUSSCGKSA-N -1 1 381.831 3.831 20 10 GHCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000832795513 1025958986 /nfs/dbraw/zinc/95/89/86/1025958986.db2.gz GXOHGGAUSLWNED-ZUZCIYMTSA-N -1 1 399.340 3.858 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccccc1CN1CCOCC1 ZINC001461322500 1069500121 /nfs/dbraw/zinc/50/01/21/1069500121.db2.gz XOZTUMVPGSUXEU-UHFFFAOYSA-N -1 1 395.272 3.738 20 10 GHCDMM CCOCc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)ccc1OC ZINC000841799245 1028944653 /nfs/dbraw/zinc/94/46/53/1028944653.db2.gz PDWODPKZDFIPNB-SFHVURJKSA-N -1 1 379.403 3.816 20 10 GHCDMM CC[C@@H](Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)C(=O)[O-] ZINC000841809844 1028958948 /nfs/dbraw/zinc/95/89/48/1028958948.db2.gz AOIPFAWAHIKMAV-FQEVSTJZSA-N -1 1 381.520 3.704 20 10 GHCDMM COc1ccc(N2CC[C@H](CNC(=O)c3ccc(C(F)(F)F)cc3[O-])C2)cc1 ZINC001142797608 1029480038 /nfs/dbraw/zinc/48/00/38/1029480038.db2.gz DITSLIRYTNHFJQ-CYBMUJFWSA-N -1 1 394.393 3.676 20 10 GHCDMM CCCC/C=C/[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229789102 1033716232 /nfs/dbraw/zinc/71/62/32/1033716232.db2.gz DCFBNMHSBDACKU-SYTKJHMZSA-N -1 1 388.416 3.959 20 10 GHCDMM O=C(Nc1cc(F)ccc1C(=O)NCc1cccc(Cl)c1[O-])c1ccoc1 ZINC001159033965 1034393844 /nfs/dbraw/zinc/39/38/44/1034393844.db2.gz OSVODPGWOXLAIW-UHFFFAOYSA-N -1 1 388.782 3.960 20 10 GHCDMM Cc1ccc(Oc2nc(Cl)ncc2NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001159280584 1034520493 /nfs/dbraw/zinc/52/04/93/1034520493.db2.gz YOGQATAZYJEEBU-UHFFFAOYSA-N -1 1 385.807 3.937 20 10 GHCDMM O=C(NCc1cc(-c2ccc(F)cc2F)on1)NCc1cccc(Cl)c1[O-] ZINC001248391130 1035801768 /nfs/dbraw/zinc/80/17/68/1035801768.db2.gz FQKIPPACMURVND-UHFFFAOYSA-N -1 1 393.777 3.978 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(-c2noc(CCC[N-]C(=O)C(F)(F)F)n2)cc1 ZINC001248428386 1035843695 /nfs/dbraw/zinc/84/36/95/1035843695.db2.gz IMBPDPVSJNQHRQ-UHFFFAOYSA-N -1 1 392.381 3.755 20 10 GHCDMM Cc1ccc(O[C@@H]2CCN(Cc3c([O-])cc(Br)cc3F)C2)nc1 ZINC001233031346 1038785942 /nfs/dbraw/zinc/78/59/42/1038785942.db2.gz AABZKDDQUZXTBZ-CYBMUJFWSA-N -1 1 381.245 3.651 20 10 GHCDMM CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)C[C@@H]1C ZINC001233033440 1038788606 /nfs/dbraw/zinc/78/86/06/1038788606.db2.gz OBCCAEFYLPIDNN-RYUDHWBXSA-N -1 1 388.277 3.705 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H]2c2ccncc2)c1 ZINC001233307923 1039098652 /nfs/dbraw/zinc/09/86/52/1039098652.db2.gz VPUABHGFEHZCMA-INIZCTEOSA-N -1 1 391.265 3.673 20 10 GHCDMM COC[C@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2cn(CC3CCCC3)nc21 ZINC001233333045 1039129517 /nfs/dbraw/zinc/12/95/17/1039129517.db2.gz HSTGLAOQJXTLBE-MRXNPFEDSA-N -1 1 391.462 3.803 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233416386 1039272749 /nfs/dbraw/zinc/27/27/49/1039272749.db2.gz GNWKPXRXBUCOLK-WFASDCNBSA-N -1 1 386.414 3.852 20 10 GHCDMM COc1ccc2[nH]c(C)c(C(=O)NCc3cccc(Br)c3[O-])c2c1 ZINC001255876560 1041371490 /nfs/dbraw/zinc/37/14/90/1041371490.db2.gz BXKACAZCYQYIEJ-UHFFFAOYSA-N -1 1 389.249 3.883 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2Cc3cnn(C4CCOCC4)c3C2)c1 ZINC001236669414 1041817087 /nfs/dbraw/zinc/81/70/87/1041817087.db2.gz JACOROSMUYUUEL-UHFFFAOYSA-N -1 1 392.297 3.527 20 10 GHCDMM COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c([O-])c1Cl ZINC001236803508 1041905662 /nfs/dbraw/zinc/90/56/62/1041905662.db2.gz VAAMYVYXCMSEJU-CQSZACIVSA-N -1 1 382.888 3.543 20 10 GHCDMM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236805197 1041906517 /nfs/dbraw/zinc/90/65/17/1041906517.db2.gz WXMKHNLEWXVGMA-QZTJIDSGSA-N -1 1 396.270 3.814 20 10 GHCDMM COc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c([O-])c1Cl ZINC001236812270 1041912069 /nfs/dbraw/zinc/91/20/69/1041912069.db2.gz UMXFMNVBCYLVBY-JDFRZJQESA-N -1 1 381.900 3.996 20 10 GHCDMM O=C(c1ccccc1F)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237082267 1042027406 /nfs/dbraw/zinc/02/74/06/1042027406.db2.gz QPRSXJVETRCBTE-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM O=C(Cc1ccccc1)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085334 1042028383 /nfs/dbraw/zinc/02/83/83/1042028383.db2.gz YBRBIOYZBDZBCS-UHFFFAOYSA-N -1 1 379.287 3.586 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2ncc(Br)c2C1 ZINC001237087580 1042029653 /nfs/dbraw/zinc/02/96/53/1042029653.db2.gz ZHQVBUDOELRLIR-UHFFFAOYSA-N -1 1 377.069 3.674 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001237775118 1042363219 /nfs/dbraw/zinc/36/32/19/1042363219.db2.gz CZSCKMMJTBVLBQ-LLVKDONJSA-N -1 1 385.167 3.566 20 10 GHCDMM C[C@]1(O)CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237784143 1042367168 /nfs/dbraw/zinc/36/71/68/1042367168.db2.gz QSSDRFJURNYNJR-AWEZNQCLSA-N -1 1 382.220 3.910 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCCn2cnc(COCC3CC3)c2C1 ZINC001237935424 1042427359 /nfs/dbraw/zinc/42/73/59/1042427359.db2.gz APVVMMQZBQMXCH-UHFFFAOYSA-N -1 1 379.863 3.714 20 10 GHCDMM CC(C)(C)CCC1(O)CC(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC001297440688 1045524307 /nfs/dbraw/zinc/52/43/07/1045524307.db2.gz OXMHPDCBXZQMTE-UHFFFAOYSA-N -1 1 384.314 3.738 20 10 GHCDMM Cc1ncsc1CN1CCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279677221 1047911598 /nfs/dbraw/zinc/91/15/98/1047911598.db2.gz ZTROSDDRMXEUQN-UHFFFAOYSA-N -1 1 384.332 3.924 20 10 GHCDMM COc1cc(C(=O)[N-]c2c3nonc3ccc2Cl)sc1Br ZINC001323707387 1057003283 /nfs/dbraw/zinc/00/32/83/1057003283.db2.gz NKUUMQHQMXJHJA-UHFFFAOYSA-N -1 1 388.630 3.961 20 10 GHCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1c(Cl)ccnc1F ZINC001346450768 1061571182 /nfs/dbraw/zinc/57/11/82/1061571182.db2.gz NVKQOBNLDBFFIU-CYBMUJFWSA-N -1 1 398.265 3.628 20 10 GHCDMM COc1ccc(OC(F)(F)F)c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001457033703 1062954652 /nfs/dbraw/zinc/95/46/52/1062954652.db2.gz DWHDCLJWAZTXLT-UHFFFAOYSA-N -1 1 375.730 3.883 20 10 GHCDMM O=C(Cc1cccnc1)Nc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001457035881 1062955433 /nfs/dbraw/zinc/95/54/33/1062955433.db2.gz LIZSHNXCAFVQSZ-UHFFFAOYSA-N -1 1 395.846 3.552 20 10 GHCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001463803353 1064630930 /nfs/dbraw/zinc/63/09/30/1064630930.db2.gz DABMYXKIJLOCIG-UHFFFAOYSA-N -1 1 382.508 3.661 20 10 GHCDMM O=[N+]([O-])c1ccc(NC(=S)NCc2cccc(Br)c2[O-])cc1 ZINC000765991619 1068128677 /nfs/dbraw/zinc/12/86/77/1068128677.db2.gz DAGIXQGHRGNDAZ-UHFFFAOYSA-N -1 1 382.239 3.550 20 10 GHCDMM CCOC(=O)[C@@H](Cc1ccccc1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001460600162 1069017389 /nfs/dbraw/zinc/01/73/89/1069017389.db2.gz XTIBPYGTQYYLKO-GOSISDBHSA-N -1 1 375.852 3.512 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001478467653 1078879971 /nfs/dbraw/zinc/87/99/71/1078879971.db2.gz QAWCCQSEAWQSIL-ZIAGYGMSSA-N -1 1 397.903 3.681 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H](OC1CCCC1)C(F)(F)F ZINC001470745089 1072717540 /nfs/dbraw/zinc/71/75/40/1072717540.db2.gz PMSPVNALVRYHDD-CYBMUJFWSA-N -1 1 380.794 3.735 20 10 GHCDMM CC(C)[C@@H](CCNC(=O)NCc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC001479011952 1079063255 /nfs/dbraw/zinc/06/32/55/1079063255.db2.gz DQAKIAPXVMXKCL-OAHLLOKOSA-N -1 1 399.919 3.784 20 10 GHCDMM C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CN1C(=O)OC(C)(C)C ZINC001479079647 1079095648 /nfs/dbraw/zinc/09/56/48/1079095648.db2.gz ZTCCCRPRKLWSIS-TZMCWYRMSA-N -1 1 397.903 3.633 20 10 GHCDMM Cc1noc(-c2ccc(NCc3cc(Br)cc(F)c3[O-])cn2)n1 ZINC001474531105 1074452649 /nfs/dbraw/zinc/45/26/49/1074452649.db2.gz JSXKWHOQEIXRST-UHFFFAOYSA-N -1 1 379.189 3.659 20 10 GHCDMM CCN(CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177229906 836146217 /nfs/dbraw/zinc/14/62/17/836146217.db2.gz BOGODPUFWHOILJ-UHFFFAOYSA-N -1 1 390.867 3.717 20 10 GHCDMM O=C(CC1CCCC1)NC1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890757717 836684071 /nfs/dbraw/zinc/68/40/71/836684071.db2.gz JCKCBBPBYBUGJP-UHFFFAOYSA-N -1 1 392.927 3.917 20 10 GHCDMM O=C(Cc1ccc([O-])c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866897685 845332762 /nfs/dbraw/zinc/33/27/62/845332762.db2.gz FTUSQKBOOYJQDC-MRXNPFEDSA-N -1 1 375.852 3.502 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC2(CC1)OCCCO2 ZINC000894860688 853244294 /nfs/dbraw/zinc/24/42/94/853244294.db2.gz VKZOJQYSCDIRLG-UHFFFAOYSA-N -1 1 376.678 3.537 20 10 GHCDMM COc1ccc2nc(C(=O)NCc3cccc(Br)c3[O-])ccc2c1 ZINC000765754767 856046128 /nfs/dbraw/zinc/04/61/28/856046128.db2.gz WIMSOESYSABJRV-UHFFFAOYSA-N -1 1 387.233 3.642 20 10 GHCDMM COc1ccc(NC(=S)NCc2cccc(Br)c2[O-])cc1F ZINC000765976177 858980528 /nfs/dbraw/zinc/98/05/28/858980528.db2.gz JPWQSBPBEQKEBN-UHFFFAOYSA-N -1 1 385.258 3.789 20 10 GHCDMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764764794 859594281 /nfs/dbraw/zinc/59/42/81/859594281.db2.gz RHNNQEJOGBQHDL-DOMZBBRYSA-N -1 1 385.302 3.549 20 10 GHCDMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782294 859609479 /nfs/dbraw/zinc/60/94/79/859609479.db2.gz XJGZWUMVZQVIBG-BZNIZROVSA-N -1 1 375.266 3.887 20 10 GHCDMM Cc1ccc(CC[C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000764788893 859610130 /nfs/dbraw/zinc/61/01/30/859610130.db2.gz CLPQCZNKRCJBFX-LLVKDONJSA-N -1 1 381.270 3.877 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1cccc(F)c1F ZINC000764798599 859612029 /nfs/dbraw/zinc/61/20/29/859612029.db2.gz FYSDADQACHXYBS-VIFPVBQESA-N -1 1 385.208 3.993 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCOc2c(F)cccc21 ZINC000764804362 859615631 /nfs/dbraw/zinc/61/56/31/859615631.db2.gz JDCHEFWDDBOSRF-AWEZNQCLSA-N -1 1 395.228 3.617 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000764785141 859618293 /nfs/dbraw/zinc/61/82/93/859618293.db2.gz SMEICUAEELJOFC-ZBFHGGJFSA-N -1 1 375.266 3.585 20 10 GHCDMM CC(C)(C)c1nsc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765277662 859880872 /nfs/dbraw/zinc/88/08/72/859880872.db2.gz NAWUIFHYWKCLNE-UHFFFAOYSA-N -1 1 385.287 3.625 20 10 GHCDMM COC(=O)c1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1C ZINC000765298986 859896082 /nfs/dbraw/zinc/89/60/82/859896082.db2.gz RLBRFYFANUFFMS-UHFFFAOYSA-N -1 1 393.237 3.571 20 10 GHCDMM C[C@@H](C1CC1)n1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765360535 859927952 /nfs/dbraw/zinc/92/79/52/859927952.db2.gz ARXLURVNJYKXDO-JTQLQIEISA-N -1 1 379.258 3.644 20 10 GHCDMM Cc1nc2c(s1)[C@H](NC(=O)NCc1cccc(Br)c1[O-])CCC2 ZINC000765534038 860105579 /nfs/dbraw/zinc/10/55/79/860105579.db2.gz BBRPVSXXJALMBD-CYBMUJFWSA-N -1 1 396.310 3.796 20 10 GHCDMM O=C(CCC(=O)c1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765728573 860491342 /nfs/dbraw/zinc/49/13/42/860491342.db2.gz WDIPVRNEYPYUFB-UHFFFAOYSA-N -1 1 380.213 3.573 20 10 GHCDMM CCc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1CCC(C)C ZINC000765728429 860493083 /nfs/dbraw/zinc/49/30/83/860493083.db2.gz RSGQWCSZWBGNEX-UHFFFAOYSA-N -1 1 394.313 3.890 20 10 GHCDMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765754243 860567589 /nfs/dbraw/zinc/56/75/89/860567589.db2.gz TWIBNWABWKGCLS-VIFPVBQESA-N -1 1 386.192 3.517 20 10 GHCDMM O=C([N-]Cc1cccc(Br)c1O)C(F)(F)c1c(F)cccc1F ZINC000765752032 860569562 /nfs/dbraw/zinc/56/95/62/860569562.db2.gz VSGDYCNABSJVJB-UHFFFAOYSA-N -1 1 392.146 3.841 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000792702470 881627061 /nfs/dbraw/zinc/62/70/61/881627061.db2.gz URJDYDKTHBMJBX-UHFFFAOYSA-N -1 1 388.308 3.986 20 10 GHCDMM CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000792703253 881628781 /nfs/dbraw/zinc/62/87/81/881628781.db2.gz RJONAUBWTVDNDO-UHFFFAOYSA-N -1 1 387.866 3.575 20 10 GHCDMM O=C(NCCCc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000793285012 882065734 /nfs/dbraw/zinc/06/57/34/882065734.db2.gz LLUREVAVALGEKX-UHFFFAOYSA-N -1 1 381.245 3.726 20 10 GHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCOc2ccc(Br)cc2C1 ZINC001193232515 870962524 /nfs/dbraw/zinc/96/25/24/870962524.db2.gz MDHANWSHYWRDHX-UHFFFAOYSA-N -1 1 398.640 3.549 20 10 GHCDMM O=C(NCc1c[nH]c2cc(Br)ccc12)c1ccc(O)c([O-])c1Cl ZINC001193247126 870973754 /nfs/dbraw/zinc/97/37/54/870973754.db2.gz LZRJIFBUJYKVLV-UHFFFAOYSA-N -1 1 395.640 3.925 20 10 GHCDMM Cc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)sc1C ZINC000770628924 874805443 /nfs/dbraw/zinc/80/54/43/874805443.db2.gz GYAVUMDBNJLMGY-HNNXBMFYSA-N -1 1 379.913 3.513 20 10 GHCDMM O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc([O-])c(O)c1 ZINC000005332853 875342613 /nfs/dbraw/zinc/34/26/13/875342613.db2.gz BZCOJYBVBPRCDV-UHFFFAOYSA-N -1 1 385.420 3.805 20 10 GHCDMM Cc1ccc(NCc2cccc(Br)c2[O-])cc1N1CCNC1=O ZINC000785552360 876104220 /nfs/dbraw/zinc/10/42/20/876104220.db2.gz HNSZIJXBMXQXAE-UHFFFAOYSA-N -1 1 376.254 3.605 20 10 GHCDMM COc1c([O-])c(CN2CCc3cccc(C(F)(F)F)c3C2)ccc1[N+](=O)[O-] ZINC001183206315 912368728 /nfs/dbraw/zinc/36/87/28/912368728.db2.gz OTTMYVTVCCFUJI-UHFFFAOYSA-N -1 1 382.338 3.886 20 10 GHCDMM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236067 912780024 /nfs/dbraw/zinc/78/00/24/912780024.db2.gz IPLMKJDBONSKPO-KRWDZBQOSA-N -1 1 393.261 3.921 20 10 GHCDMM CC[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cccc(Cl)c1[O-] ZINC000806154979 884412910 /nfs/dbraw/zinc/41/29/10/884412910.db2.gz LXPLXKXVXWWTFY-QGZVFWFLSA-N -1 1 376.888 3.864 20 10 GHCDMM CCOc1cc(C(=O)N(C)C)ccc1NCc1cccc(Br)c1[O-] ZINC000795801460 912843825 /nfs/dbraw/zinc/84/38/25/912843825.db2.gz JYYYKRHMZFAYOO-UHFFFAOYSA-N -1 1 393.281 3.867 20 10 GHCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000807839894 885770717 /nfs/dbraw/zinc/77/07/17/885770717.db2.gz TZHYNTPRSNRKFA-UHFFFAOYSA-N -1 1 396.255 3.567 20 10 GHCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1-c1ccc(F)cc1 ZINC000916590444 889152245 /nfs/dbraw/zinc/15/22/45/889152245.db2.gz BDYORCUMGXIVPL-UHFFFAOYSA-N -1 1 383.375 3.684 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)c1[O-] ZINC000795118389 890353112 /nfs/dbraw/zinc/35/31/12/890353112.db2.gz BJOAUTVWTPRLNR-CHWSQXEVSA-N -1 1 380.916 3.716 20 10 GHCDMM Cn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccc(Cl)cc1 ZINC000004287433 913513894 /nfs/dbraw/zinc/51/38/94/913513894.db2.gz ZEQILTWIEIFARO-UHFFFAOYSA-N -1 1 375.837 3.522 20 10 GHCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1N1C(=O)CCNC1=O ZINC000816599831 894962461 /nfs/dbraw/zinc/96/24/61/894962461.db2.gz AISPSCZWKVROCQ-UHFFFAOYSA-N -1 1 377.803 3.552 20 10 GHCDMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCCCSc3nccs3)c2)o1 ZINC001136661775 898796128 /nfs/dbraw/zinc/79/61/28/898796128.db2.gz PEVQOHYLOZXVGQ-UHFFFAOYSA-N -1 1 388.470 3.833 20 10 GHCDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C(C)C)c(O)cc3C)cc21 ZINC000123897055 901995267 /nfs/dbraw/zinc/99/52/67/901995267.db2.gz QDZGZBGUUOYRDL-UHFFFAOYSA-N -1 1 388.489 3.534 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000792701803 902288320 /nfs/dbraw/zinc/28/83/20/902288320.db2.gz APLNLNOLIFJPGM-UHFFFAOYSA-N -1 1 388.308 3.986 20 10 GHCDMM C[C@@H](COCC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000846013392 902593643 /nfs/dbraw/zinc/59/36/43/902593643.db2.gz AZOLTOBAIWXFHB-ZDUSSCGKSA-N -1 1 378.266 3.591 20 10 GHCDMM CCO[C@H](C)n1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001174704697 907166826 /nfs/dbraw/zinc/16/68/26/907166826.db2.gz QOQWIAPCRPOMHP-GFCCVEGCSA-N -1 1 377.400 3.663 20 10 GHCDMM O=C(NC1CC1)c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001175608762 907664908 /nfs/dbraw/zinc/66/49/08/907664908.db2.gz PSVYYRAHLMEAHF-UHFFFAOYSA-N -1 1 398.418 3.803 20 10 GHCDMM COC1(C)CCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000779599376 907847395 /nfs/dbraw/zinc/84/73/95/907847395.db2.gz SFOCYWJZZSAMSF-UHFFFAOYSA-N -1 1 393.119 3.918 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CNCc1ncccc1F ZINC001178629852 909157329 /nfs/dbraw/zinc/15/73/29/909157329.db2.gz VGWYSGRXLWNQMA-UHFFFAOYSA-N -1 1 390.050 3.741 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1[O-] ZINC000247070338 910941604 /nfs/dbraw/zinc/94/16/04/910941604.db2.gz WTJJHXHVVYOYOZ-DOTOQJQBSA-N -1 1 395.908 3.634 20 10 GHCDMM COc1c([O-])c(CN2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775095082 915072863 /nfs/dbraw/zinc/07/28/63/915072863.db2.gz AQPBHVQJRZJNDN-SJCJKPOMSA-N -1 1 392.839 3.924 20 10 GHCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)ccc1Cl ZINC000775291155 916838460 /nfs/dbraw/zinc/83/84/60/916838460.db2.gz BSHIIISQHOVUPP-UHFFFAOYSA-N -1 1 383.853 3.558 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CC(=O)c2cccs2)c1[O-] ZINC000119578030 919640357 /nfs/dbraw/zinc/64/03/57/919640357.db2.gz LMMJWIACQVJFQO-OAHLLOKOSA-N -1 1 393.892 3.784 20 10 GHCDMM COc1c2ccccc2[nH]c1C(=O)NCc1cccc(Br)c1[O-] ZINC000803214037 922789545 /nfs/dbraw/zinc/78/95/45/922789545.db2.gz MKICLRIHZHHZBV-UHFFFAOYSA-N -1 1 375.222 3.575 20 10 GHCDMM O=C(COc1ccc(Cl)c2ccccc12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782150341 931101217 /nfs/dbraw/zinc/10/12/17/931101217.db2.gz QSFIPXBALNCGJE-UHFFFAOYSA-N -1 1 386.787 3.709 20 10 GHCDMM CCCc1noc2nc(C3CC3)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c12 ZINC000782931240 931368368 /nfs/dbraw/zinc/36/83/68/931368368.db2.gz BDIVWCBJRBKKFW-UHFFFAOYSA-N -1 1 396.399 3.504 20 10 GHCDMM Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000799150165 932889451 /nfs/dbraw/zinc/88/94/51/932889451.db2.gz LOJIINUDDUIQRO-HXUWFJFHSA-N -1 1 391.471 3.790 20 10 GHCDMM Cn1nccc1[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000799150165 932889459 /nfs/dbraw/zinc/88/94/59/932889459.db2.gz LOJIINUDDUIQRO-HXUWFJFHSA-N -1 1 391.471 3.790 20 10 GHCDMM Cc1csc([C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C(F)(F)F)n1 ZINC000931578673 934626088 /nfs/dbraw/zinc/62/60/88/934626088.db2.gz CVDDXAHNPPSZDO-LLVKDONJSA-N -1 1 379.791 3.913 20 10 GHCDMM COc1cc(CNCc2ccc(Cl)c(C(=O)[O-])n2)c(O)c(C(C)(C)C)c1 ZINC001599415194 997495360 /nfs/dbraw/zinc/49/53/60/997495360.db2.gz KJGUVDDJCWEIPN-UHFFFAOYSA-N -1 1 378.856 3.735 20 10 GHCDMM Cc1ccccc1CC(C)(C)CNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235939 1032466749 /nfs/dbraw/zinc/46/67/49/1032466749.db2.gz VOZZIEKGGBNIPZ-UHFFFAOYSA-N -1 1 381.428 3.511 20 10 GHCDMM CC(C)Oc1ncccc1COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578117 1032470272 /nfs/dbraw/zinc/47/02/72/1032470272.db2.gz QVUBOZUBDXTALQ-UHFFFAOYSA-N -1 1 389.407 3.929 20 10 GHCDMM C[C@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)c1cnc2ccccn21 ZINC001227581078 1032471288 /nfs/dbraw/zinc/47/12/88/1032471288.db2.gz VXYCDOADLDDEEO-ZDUSSCGKSA-N -1 1 384.391 3.955 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC001221916576 1032571809 /nfs/dbraw/zinc/57/18/09/1032571809.db2.gz NMLBWXRROZVLAV-HNNXBMFYSA-N -1 1 377.847 3.653 20 10 GHCDMM Cc1nnc(C2CCN(Cc3cc(Cl)cc(Br)c3[O-])CC2)o1 ZINC001141374622 1024766794 /nfs/dbraw/zinc/76/67/94/1024766794.db2.gz LLDJZWVKLKPRLK-UHFFFAOYSA-N -1 1 386.677 3.879 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC001139128831 1025940376 /nfs/dbraw/zinc/94/03/76/1025940376.db2.gz FWPUYENZFXQYMB-UHFFFAOYSA-N -1 1 398.890 3.778 20 10 GHCDMM COC[C@H]1CCCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC001203564846 1027436870 /nfs/dbraw/zinc/43/68/70/1027436870.db2.gz QTRQLEAERZACJA-GFCCVEGCSA-N -1 1 393.119 3.918 20 10 GHCDMM CC(C)(C)NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001203625306 1027486118 /nfs/dbraw/zinc/48/61/18/1027486118.db2.gz OQSSPXQCBVSSTR-UHFFFAOYSA-N -1 1 386.876 3.874 20 10 GHCDMM Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 ZINC000840910542 1027945320 /nfs/dbraw/zinc/94/53/20/1027945320.db2.gz OWZSGTNAKAXBBS-UHFFFAOYSA-N -1 1 376.859 3.841 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001214785137 1028911910 /nfs/dbraw/zinc/91/19/10/1028911910.db2.gz BRSCLUBVQAANAC-UHFFFAOYSA-N -1 1 387.726 3.877 20 10 GHCDMM COC[C@H]1CN(Cc2cc(F)c(F)cc2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001142513159 1029018388 /nfs/dbraw/zinc/01/83/88/1029018388.db2.gz ZPFLHTOHRGWQDF-QGZVFWFLSA-N -1 1 391.462 3.803 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(F)c(CO)c3F)c([O-])cc21 ZINC001215653090 1029328531 /nfs/dbraw/zinc/32/85/31/1029328531.db2.gz LUWLVNSMQAIRIP-UHFFFAOYSA-N -1 1 381.334 3.682 20 10 GHCDMM [O-]c1c(O)ccc(-c2nc(-c3cc(F)c(OC4COC4)c(F)c3)no2)c1Cl ZINC001216952076 1030024919 /nfs/dbraw/zinc/02/49/19/1030024919.db2.gz SPRNGZMQJNCIEL-UHFFFAOYSA-N -1 1 396.733 3.524 20 10 GHCDMM O=C1N(CCC(F)(F)F)CC[C@@]12CCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388618 1033488649 /nfs/dbraw/zinc/48/86/49/1033488649.db2.gz XRPGGMUVIXQRGE-INIZCTEOSA-N -1 1 394.796 3.704 20 10 GHCDMM COc1c([O-])cc2c(c1OC1CCCC1)C(=O)c1c(cc(C)c(O)c1OC)C2=O ZINC001229603697 1033585977 /nfs/dbraw/zinc/58/59/77/1033585977.db2.gz FHVSKLSPDRNNIS-UHFFFAOYSA-N -1 1 398.411 3.520 20 10 GHCDMM CN(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000325441033 1033897968 /nfs/dbraw/zinc/89/79/68/1033897968.db2.gz UQRRBTIRLWZWRM-UHFFFAOYSA-N -1 1 389.260 3.558 20 10 GHCDMM COC(=O)[C@](C)(NCc1cc(C)cc(Br)c1[O-])c1ccccc1 ZINC001207043633 1034066508 /nfs/dbraw/zinc/06/65/08/1034066508.db2.gz JIBUNTDKKDEYRY-GOSISDBHSA-N -1 1 378.266 3.641 20 10 GHCDMM O=C(CNC(F)(F)c1ccc(Cl)nc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001159280262 1034520308 /nfs/dbraw/zinc/52/03/08/1034520308.db2.gz IRRHZFYAFGHMQE-UHFFFAOYSA-N -1 1 396.699 3.687 20 10 GHCDMM COC(=O)c1ccc(C2CN(Cc3cc(Br)cc(F)c3[O-])C2)cc1 ZINC001235067135 1040558938 /nfs/dbraw/zinc/55/89/38/1040558938.db2.gz QRNPFNLUKUMSSU-UHFFFAOYSA-N -1 1 394.240 3.680 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001236663820 1041811818 /nfs/dbraw/zinc/81/18/18/1041811818.db2.gz QDOXVWJHULMIRV-OKILXGFUSA-N -1 1 397.313 3.657 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)c1 ZINC001236670815 1041818246 /nfs/dbraw/zinc/81/82/46/1041818246.db2.gz QTBCYDKVJGTXAJ-OAHLLOKOSA-N -1 1 389.284 3.769 20 10 GHCDMM COc1cc2c(cc1OC)CN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236671794 1041819609 /nfs/dbraw/zinc/81/96/09/1041819609.db2.gz YMTALUZDNGLBIE-UHFFFAOYSA-N -1 1 378.266 3.996 20 10 GHCDMM CC(C)N(C)C(=O)c1noc2c1CN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236790217 1041895195 /nfs/dbraw/zinc/89/51/95/1041895195.db2.gz MXAZJCUPGPOXEJ-UHFFFAOYSA-N -1 1 398.290 3.726 20 10 GHCDMM [O-]c1c(CN2CC[C@]3(CCCO3)C2)cc(Br)cc1C(F)(F)F ZINC001237784552 1042368469 /nfs/dbraw/zinc/36/84/69/1042368469.db2.gz WLYARWROXJGAHM-CQSZACIVSA-N -1 1 380.204 3.928 20 10 GHCDMM CC(C)CCc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)o1 ZINC001258277605 1044488564 /nfs/dbraw/zinc/48/85/64/1044488564.db2.gz NJOYFDRNPBEUFB-UHFFFAOYSA-N -1 1 378.384 3.512 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cc(F)c(F)cc1F ZINC001259042493 1044930991 /nfs/dbraw/zinc/93/09/91/1044930991.db2.gz VUTVJZMXXDFFBX-UHFFFAOYSA-N -1 1 384.423 3.573 20 10 GHCDMM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1cc(F)c(F)cc1Cl ZINC001260288866 1045446207 /nfs/dbraw/zinc/44/62/07/1045446207.db2.gz FOPADOIFTKWWGA-UHFFFAOYSA-N -1 1 383.803 3.956 20 10 GHCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000732526124 1049093222 /nfs/dbraw/zinc/09/32/22/1049093222.db2.gz KHQJYTNWASMLKY-UHFFFAOYSA-N -1 1 375.450 3.558 20 10 GHCDMM Cc1c(NC(=O)NCc2cccc(Cl)c2[O-])cccc1N1CCOC1=O ZINC001310366486 1051309983 /nfs/dbraw/zinc/30/99/83/1051309983.db2.gz PTHWQGGQNVYWFW-UHFFFAOYSA-N -1 1 375.812 3.632 20 10 GHCDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765348059 1068112980 /nfs/dbraw/zinc/11/29/80/1068112980.db2.gz OLHXNSNGFHFDCR-UHFFFAOYSA-N -1 1 380.198 3.693 20 10 GHCDMM COc1cc(C(=O)NCc2cccc(Cl)c2[O-])cc(OC)c1OC(F)F ZINC001472317066 1073418158 /nfs/dbraw/zinc/41/81/58/1073418158.db2.gz UHFIDZVVFZTFKF-UHFFFAOYSA-N -1 1 387.766 3.594 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000823505008 599310252 /nfs/dbraw/zinc/31/02/52/599310252.db2.gz WVXIUMLGOMJWKA-GHXNOFRVSA-N -1 1 389.849 3.519 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000823505008 599310254 /nfs/dbraw/zinc/31/02/54/599310254.db2.gz WVXIUMLGOMJWKA-GHXNOFRVSA-N -1 1 389.849 3.519 20 10 GHCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000740096200 600125335 /nfs/dbraw/zinc/12/53/35/600125335.db2.gz GCMCQCLMXGKYGX-HXUWFJFHSA-N -1 1 381.403 3.956 20 10 GHCDMM CC(C)(C)OC(=O)NC1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000893125520 838179266 /nfs/dbraw/zinc/17/92/66/838179266.db2.gz MHWBEZMLXXTIMY-UHFFFAOYSA-N -1 1 397.903 3.681 20 10 GHCDMM CCc1nc2ccccc2n1C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276563132 842234613 /nfs/dbraw/zinc/23/46/13/842234613.db2.gz JGTZDDOQGZOCOT-UHFFFAOYSA-N -1 1 383.423 3.626 20 10 GHCDMM C[C@@H](NCc1nccn1CCCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595851 847380641 /nfs/dbraw/zinc/38/06/41/847380641.db2.gz QMLCASRFWACNPB-MRXNPFEDSA-N -1 1 380.448 3.981 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000894749359 852085125 /nfs/dbraw/zinc/08/51/25/852085125.db2.gz ZXYXZHDMDVJRLG-ZDUSSCGKSA-N -1 1 386.183 3.573 20 10 GHCDMM O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1cccc(Br)c1[O-] ZINC000765765115 857013514 /nfs/dbraw/zinc/01/35/14/857013514.db2.gz NJYNYVWUDYJKKM-CQSZACIVSA-N -1 1 384.657 3.548 20 10 GHCDMM CC(=O)Nc1cccc(NC(=S)NCc2cccc(Br)c2[O-])c1 ZINC000765974313 858644721 /nfs/dbraw/zinc/64/47/21/858644721.db2.gz CCLHVDPDBHYCES-UHFFFAOYSA-N -1 1 394.294 3.600 20 10 GHCDMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781793 859601932 /nfs/dbraw/zinc/60/19/32/859601932.db2.gz CBDIZQWUSRULAD-XJKSGUPXSA-N -1 1 399.329 3.795 20 10 GHCDMM CC(C)(C)c1csc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764782041 859601955 /nfs/dbraw/zinc/60/19/55/859601955.db2.gz ZCFHLSCMYHMVCB-UHFFFAOYSA-N -1 1 398.326 3.908 20 10 GHCDMM Cc1nc2cc(NC(=O)NCc3cccc(Br)c3[O-])ccc2o1 ZINC000765315727 859901990 /nfs/dbraw/zinc/90/19/90/859901990.db2.gz PHMINTCHMGHXBK-UHFFFAOYSA-N -1 1 376.210 3.926 20 10 GHCDMM CO[C@H]1Cc2ccc(NC(=O)NCc3cccc(Br)c3[O-])cc2C1 ZINC000765342005 859920051 /nfs/dbraw/zinc/92/00/51/859920051.db2.gz BAXMPIBMIUUJRS-HNNXBMFYSA-N -1 1 391.265 3.590 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1SCCc2sccc21 ZINC000765728267 860493117 /nfs/dbraw/zinc/49/31/17/860493117.db2.gz FQRBBSDBYPQSCE-AWEZNQCLSA-N -1 1 384.320 3.863 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000792703530 881630669 /nfs/dbraw/zinc/63/06/69/881630669.db2.gz YNESIYSUFSRHDK-UHFFFAOYSA-N -1 1 388.308 3.986 20 10 GHCDMM CC(C)c1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766200844 863851207 /nfs/dbraw/zinc/85/12/07/863851207.db2.gz OQHYDMQBDQIANI-UHFFFAOYSA-N -1 1 384.295 3.757 20 10 GHCDMM Cc1c(Cl)cccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201786 863856911 /nfs/dbraw/zinc/85/69/11/863856911.db2.gz VDDAZRKHKOOXKL-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM CO[C@@]1(C)CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000793215650 882014053 /nfs/dbraw/zinc/01/40/53/882014053.db2.gz DKNWLXTYSCBKLQ-AWEZNQCLSA-N -1 1 393.119 3.918 20 10 GHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001193224775 870945960 /nfs/dbraw/zinc/94/59/60/870945960.db2.gz AUKYCOASQQFEOH-QVKFZJNVSA-N -1 1 387.863 3.930 20 10 GHCDMM N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193209494 870946297 /nfs/dbraw/zinc/94/62/97/870946297.db2.gz LQVUACZNDUYVDA-NNDYQBKXSA-N -1 1 383.795 3.718 20 10 GHCDMM NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193220853 870952892 /nfs/dbraw/zinc/95/28/92/870952892.db2.gz YKMGJFORQVXTNQ-UHFFFAOYSA-N -1 1 388.832 3.831 20 10 GHCDMM COc1ccc(OC(F)(F)F)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193230096 870990747 /nfs/dbraw/zinc/99/07/47/870990747.db2.gz QAVLHLREUGZANW-UHFFFAOYSA-N -1 1 377.702 3.911 20 10 GHCDMM O=C(NCc1nc(CNCc2cccc(Cl)c2[O-])cs1)c1ccccc1 ZINC000776232993 875980148 /nfs/dbraw/zinc/98/01/48/875980148.db2.gz ZYNLOUGDLPGMNM-UHFFFAOYSA-N -1 1 387.892 3.722 20 10 GHCDMM COc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1OCc1ccccc1 ZINC000789954484 879363181 /nfs/dbraw/zinc/36/31/81/879363181.db2.gz JJJPCDQLXVTSMF-UHFFFAOYSA-N -1 1 397.402 3.755 20 10 GHCDMM COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1cccc(Br)c1[O-] ZINC000861332755 885403874 /nfs/dbraw/zinc/40/38/74/885403874.db2.gz UYXNRTAZILHIJF-HNNXBMFYSA-N -1 1 376.250 3.510 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1Br ZINC000765763554 886372736 /nfs/dbraw/zinc/37/27/36/886372736.db2.gz DDDNJNOYGVHDSF-UHFFFAOYSA-N -1 1 385.055 3.847 20 10 GHCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)ccc1O ZINC000322681764 887588097 /nfs/dbraw/zinc/58/80/97/887588097.db2.gz HBVFDQIVSJEFNA-UHFFFAOYSA-N -1 1 376.217 3.506 20 10 GHCDMM C[C@@H](NCc1nn(C)cc1C(F)F)c1cc(Br)cc(F)c1[O-] ZINC000866565705 888939330 /nfs/dbraw/zinc/93/93/30/888939330.db2.gz PPPVYMQZHZNDIO-SSDOTTSWSA-N -1 1 378.192 3.816 20 10 GHCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000811793813 890010149 /nfs/dbraw/zinc/01/01/49/890010149.db2.gz XMZQJWJEZZTJSY-OFNKIYASSA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000811793813 890010168 /nfs/dbraw/zinc/01/01/68/890010168.db2.gz XMZQJWJEZZTJSY-OFNKIYASSA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000811793813 890010186 /nfs/dbraw/zinc/01/01/86/890010186.db2.gz XMZQJWJEZZTJSY-OFNKIYASSA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800016889 898506261 /nfs/dbraw/zinc/50/62/61/898506261.db2.gz YJGXNMOKPKXLIU-CQSZACIVSA-N -1 1 395.684 3.775 20 10 GHCDMM CC(C)(C)OC(=O)CC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000843865990 900261582 /nfs/dbraw/zinc/26/15/82/900261582.db2.gz BNPPHCDFGCEYHQ-UHFFFAOYSA-N -1 1 398.297 3.673 20 10 GHCDMM CCOC(=O)c1cc(C(C)C)nc(NCc2cccc(Br)c2[O-])n1 ZINC001186358325 914474726 /nfs/dbraw/zinc/47/47/26/914474726.db2.gz CJBOIEBLZOISAT-UHFFFAOYSA-N -1 1 394.269 3.857 20 10 GHCDMM CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1cccc(Cl)c1[O-] ZINC000181058901 906907556 /nfs/dbraw/zinc/90/75/56/906907556.db2.gz XMFGDMMVFFNYOM-UHFFFAOYSA-N -1 1 390.288 3.735 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1[O-] ZINC000245957577 910022868 /nfs/dbraw/zinc/02/28/68/910022868.db2.gz CDORFMMFTBBSLA-AZUAARDMSA-N -1 1 389.879 3.573 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC001180410111 910151623 /nfs/dbraw/zinc/15/16/23/910151623.db2.gz KAKBUZGHUHUWTM-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622217 910885432 /nfs/dbraw/zinc/88/54/32/910885432.db2.gz RPQKDWDXGJGLOS-GOEBONIOSA-N -1 1 382.451 3.893 20 10 GHCDMM C[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)c1cccc(Oc2ccccc2)c1 ZINC001182739449 912017091 /nfs/dbraw/zinc/01/70/91/912017091.db2.gz BZBBYKCXWIPAEP-HNNXBMFYSA-N -1 1 391.423 3.993 20 10 GHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(Br)c(Cl)c1 ZINC001189171937 916469860 /nfs/dbraw/zinc/46/98/60/916469860.db2.gz SVQWTOODHYVQEJ-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccc(C)cc3)CC2)c1[O-] ZINC000750037287 927399468 /nfs/dbraw/zinc/39/94/68/927399468.db2.gz YEHMQKYMIOPOFE-UHFFFAOYSA-N -1 1 386.879 3.515 20 10 GHCDMM O=C(COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc([O-])c(O)c1 ZINC000783086551 931406780 /nfs/dbraw/zinc/40/67/80/931406780.db2.gz ZWDRIRBYMVEVDK-UHFFFAOYSA-N -1 1 395.289 3.517 20 10 GHCDMM O=C(COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc([O-])c(O)c1 ZINC000783419571 931542650 /nfs/dbraw/zinc/54/26/50/931542650.db2.gz ACKYOUVJAADXPX-UHFFFAOYSA-N -1 1 380.318 3.574 20 10 GHCDMM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783743000 931639783 /nfs/dbraw/zinc/63/97/83/931639783.db2.gz FJIKDIAXYLEUOV-LLVKDONJSA-N -1 1 382.334 3.721 20 10 GHCDMM O=C(COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc([O-])c(O)c1 ZINC000784850962 932013029 /nfs/dbraw/zinc/01/30/29/932013029.db2.gz UNWRENHSOQTQKI-UHFFFAOYSA-N -1 1 398.308 3.713 20 10 GHCDMM O=C(CO[C@@H]1CCCc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000797759897 932398796 /nfs/dbraw/zinc/39/87/96/932398796.db2.gz QAKPEKDRGMRPFC-QGZVFWFLSA-N -1 1 390.277 3.865 20 10 GHCDMM O=C([O-])[C@H]1CCCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840997412 955585453 /nfs/dbraw/zinc/58/54/53/955585453.db2.gz DYTUPODUUPQMHB-HNNXBMFYSA-N -1 1 381.314 3.736 20 10 GHCDMM CC[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Br)ccc1[O-] ZINC001596362754 983842284 /nfs/dbraw/zinc/84/22/84/983842284.db2.gz MZKYMXXCCGKXRW-UHFFFAOYSA-N -1 1 394.265 3.640 20 10 GHCDMM CC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Br)ccc1[O-] ZINC001596362754 983842298 /nfs/dbraw/zinc/84/22/98/983842298.db2.gz MZKYMXXCCGKXRW-UHFFFAOYSA-N -1 1 394.265 3.640 20 10 GHCDMM Cc1cccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c1Br ZINC001155228176 1032464494 /nfs/dbraw/zinc/46/44/94/1032464494.db2.gz MBLNVPLXQGYTFQ-UHFFFAOYSA-N -1 1 390.189 3.527 20 10 GHCDMM [O-]c1c(F)cccc1CN1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001138124842 1024169831 /nfs/dbraw/zinc/16/98/31/1024169831.db2.gz AHKQFINBMZHSIW-GOSISDBHSA-N -1 1 385.483 3.664 20 10 GHCDMM CCNC(=O)OC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141374773 1024766890 /nfs/dbraw/zinc/76/68/90/1024766890.db2.gz PAIRSDAENIXVRL-UHFFFAOYSA-N -1 1 391.693 3.519 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](Oc2cnccn2)C1 ZINC001141377655 1024774682 /nfs/dbraw/zinc/77/46/82/1024774682.db2.gz XAYAQRGDDLDCTE-CYBMUJFWSA-N -1 1 398.688 3.642 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1ncccc1C(F)(F)F ZINC001139124476 1025937873 /nfs/dbraw/zinc/93/78/73/1025937873.db2.gz AUZYZORMFNKKNN-UHFFFAOYSA-N -1 1 378.350 3.853 20 10 GHCDMM O=C([O-])[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000841797809 1028943928 /nfs/dbraw/zinc/94/39/28/1028943928.db2.gz BMWXAEJHDGADFZ-QGZVFWFLSA-N -1 1 375.450 3.562 20 10 GHCDMM COc1ncc(N(c2ccccc2)c2ccc(N)cc2)cc1[N-]S(C)(=O)=O ZINC001216156860 1029545155 /nfs/dbraw/zinc/54/51/55/1029545155.db2.gz ZUQYPYFOUBMWDN-UHFFFAOYSA-N -1 1 384.461 3.514 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3cccc4occc43)no2)cc1CN1CCOCC1 ZINC001217055876 1030126999 /nfs/dbraw/zinc/12/69/99/1030126999.db2.gz CASYAXYBPWVZPN-UHFFFAOYSA-N -1 1 377.400 3.688 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3ccc4scnc4c3)no2)cc1CN1CCOCC1 ZINC001217056933 1030130306 /nfs/dbraw/zinc/13/03/06/1030130306.db2.gz XTGJSNYFBSCOQZ-UHFFFAOYSA-N -1 1 394.456 3.551 20 10 GHCDMM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Br)c1[O-] ZINC001276943952 1030871038 /nfs/dbraw/zinc/87/10/38/1030871038.db2.gz FGACAGYPYFZKEX-HFBAOOFYSA-N -1 1 399.304 3.658 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c(O)c([O-])cc(O[C@H]3COCc4ccccc43)c21 ZINC001229198050 1033335206 /nfs/dbraw/zinc/33/52/06/1033335206.db2.gz UYGLBDHPKYRCEC-SFHVURJKSA-N -1 1 388.375 3.524 20 10 GHCDMM C[C@@H]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1C ZINC001229786977 1033712837 /nfs/dbraw/zinc/71/28/37/1033712837.db2.gz PRAADFCHVMTEIW-MDZLAQPJSA-N -1 1 388.416 3.649 20 10 GHCDMM CC/C=C(\C)[C@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229789122 1033716627 /nfs/dbraw/zinc/71/66/27/1033716627.db2.gz DLDINYHPAHXZCU-CEUCYRDJSA-N -1 1 388.416 3.959 20 10 GHCDMM Cc1nn(C)cc1[C@H](C)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229829205 1033739823 /nfs/dbraw/zinc/73/98/23/1033739823.db2.gz OFRCVCWNEFJTAV-ZDUSSCGKSA-N -1 1 376.412 3.658 20 10 GHCDMM C[C@H]1Cc2ccc(Br)cc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231568425 1034717520 /nfs/dbraw/zinc/71/75/20/1034717520.db2.gz LPWCFJMHNXJSCL-NSHDSACASA-N -1 1 376.250 3.800 20 10 GHCDMM C[C@H]1Cc2ccc(Br)cc2CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231568425 1034717527 /nfs/dbraw/zinc/71/75/27/1034717527.db2.gz LPWCFJMHNXJSCL-NSHDSACASA-N -1 1 376.250 3.800 20 10 GHCDMM O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231911215 1034985835 /nfs/dbraw/zinc/98/58/35/1034985835.db2.gz GEHWQKZGBOVCPY-OAQYLSRUSA-N -1 1 399.878 3.795 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001231911656 1034987241 /nfs/dbraw/zinc/98/72/41/1034987241.db2.gz OKDGPHSYIAQHEE-SLYNCCJLSA-N -1 1 388.895 3.637 20 10 GHCDMM COc1ccc(CN2Cc3ccccc3C2)c([O-])c1I ZINC001248482223 1035908908 /nfs/dbraw/zinc/90/89/08/1035908908.db2.gz VTILGTKEQIFCQO-UHFFFAOYSA-N -1 1 381.213 3.521 20 10 GHCDMM Cc1cccc(O[C@@H]2CCN(Cc3c([O-])cc(Br)cc3F)C2)n1 ZINC001233032333 1038784982 /nfs/dbraw/zinc/78/49/82/1038784982.db2.gz DOHSGCFXNGGUQB-CYBMUJFWSA-N -1 1 381.245 3.651 20 10 GHCDMM [O-]c1cnc(Cl)cc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001233041070 1038796061 /nfs/dbraw/zinc/79/60/61/1038796061.db2.gz QVTXPLZDGMEYEI-UHFFFAOYSA-N -1 1 387.789 3.661 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 ZINC001233498759 1039393950 /nfs/dbraw/zinc/39/39/50/1039393950.db2.gz VFITXABIASJWHA-CYBMUJFWSA-N -1 1 377.437 3.635 20 10 GHCDMM COc1cc([O-])c(CN2CCc3nc(Br)sc3C2)c(Cl)c1 ZINC001236803504 1041905909 /nfs/dbraw/zinc/90/59/09/1041905909.db2.gz OONYMDYDIJISOV-UHFFFAOYSA-N -1 1 389.702 3.832 20 10 GHCDMM Cn1nc(COCC2CC2)c2c1CCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237079645 1042025436 /nfs/dbraw/zinc/02/54/36/1042025436.db2.gz FQHRLNUEYAPIQT-UHFFFAOYSA-N -1 1 396.318 3.917 20 10 GHCDMM CCOC(=O)c1cnc2n1CCN(Cc1c([O-])ccc(Cl)c1Cl)[C@H]2C ZINC001237083666 1042029085 /nfs/dbraw/zinc/02/90/85/1042029085.db2.gz BKJGEDFVLHTVBX-JTQLQIEISA-N -1 1 384.263 3.649 20 10 GHCDMM C[C@H]1CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])[C@@H]1CO ZINC001237784955 1042368085 /nfs/dbraw/zinc/36/80/85/1042368085.db2.gz ZPHRXMZICWUCQA-TVQRCGJNSA-N -1 1 382.220 3.766 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001237936979 1042428350 /nfs/dbraw/zinc/42/83/50/1042428350.db2.gz LVBCTIJCHAESSD-OMWUSAIZSA-N -1 1 392.858 3.638 20 10 GHCDMM COc1ccc(OC)c(CN2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)c1 ZINC001237938126 1042428745 /nfs/dbraw/zinc/42/87/45/1042428745.db2.gz YKBULXWCEDNIEK-UHFFFAOYSA-N -1 1 394.874 3.520 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CC(F)(F)C1 ZINC001237939957 1042430450 /nfs/dbraw/zinc/43/04/50/1042430450.db2.gz IMNXJAMVJOGQOC-LLVKDONJSA-N -1 1 394.821 3.919 20 10 GHCDMM CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237943114 1042431998 /nfs/dbraw/zinc/43/19/98/1042431998.db2.gz INRNSVNGWCZOFN-IBGZPJMESA-N -1 1 393.842 3.856 20 10 GHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(Oc2ccccn2)cc1 ZINC001260147820 1045398330 /nfs/dbraw/zinc/39/83/30/1045398330.db2.gz YOBDSKUFFYKHCK-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM O=S(=O)([N-]Cc1cccc(O)c1O)c1ccc(Cl)c(Cl)c1Cl ZINC001260434008 1045494830 /nfs/dbraw/zinc/49/48/30/1045494830.db2.gz NEWLUSIBFCAABK-UHFFFAOYSA-N -1 1 382.652 3.537 20 10 GHCDMM Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001260461580 1045502588 /nfs/dbraw/zinc/50/25/88/1045502588.db2.gz ZNMOSCXTDQPZSP-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM O=S(=O)([N-]c1ccc(Cl)c(F)c1F)c1ccc(Cl)c2nonc21 ZINC001261072952 1045888729 /nfs/dbraw/zinc/88/87/29/1045888729.db2.gz LODPPVGACONUSX-UHFFFAOYSA-N -1 1 380.159 3.609 20 10 GHCDMM Cc1ccccc1-n1ccnc1SCC(=O)NCc1cccc(Cl)c1[O-] ZINC001305069967 1047871850 /nfs/dbraw/zinc/87/18/50/1047871850.db2.gz WMFVBUHSFFSZMV-UHFFFAOYSA-N -1 1 387.892 3.948 20 10 GHCDMM COc1ccc([C@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CCO2)cc1 ZINC001308005130 1049754463 /nfs/dbraw/zinc/75/44/63/1049754463.db2.gz DUAFOXLOCWRZGC-LJQANCHMSA-N -1 1 375.852 3.830 20 10 GHCDMM O=C(NCc1ccc2c(c1)CCC2)NCc1cccc(Br)c1[O-] ZINC001343739888 1053993855 /nfs/dbraw/zinc/99/38/55/1053993855.db2.gz WDAQRQNODDFFIP-UHFFFAOYSA-N -1 1 375.266 3.643 20 10 GHCDMM COc1ccccc1C1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC001326394877 1057474761 /nfs/dbraw/zinc/47/47/61/1057474761.db2.gz SYNNQVPKLORBGH-UHFFFAOYSA-N -1 1 390.277 3.901 20 10 GHCDMM C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1cc(Br)cc(F)c1[O-] ZINC001337799060 1058268284 /nfs/dbraw/zinc/26/82/84/1058268284.db2.gz IOPLNIINENTZJF-SNVBAGLBSA-N -1 1 381.245 3.885 20 10 GHCDMM CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CC1(C)C ZINC001448960579 1060305946 /nfs/dbraw/zinc/30/59/46/1060305946.db2.gz MHTKGALZHUOKBS-SFHVURJKSA-N -1 1 398.297 3.529 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001342093109 1061053683 /nfs/dbraw/zinc/05/36/83/1061053683.db2.gz WLBHYFLGEPGXDR-UHFFFAOYSA-N -1 1 377.238 3.930 20 10 GHCDMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001469566824 1068229293 /nfs/dbraw/zinc/22/92/93/1068229293.db2.gz SMXGDDGYOXUIEO-XIKOKIGWSA-N -1 1 378.856 3.630 20 10 GHCDMM O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001601658975 1126223860 /nfs/dbraw/zinc/22/38/60/1126223860.db2.gz XZVKYUJKPCYNIC-HNNXBMFYSA-N -1 1 390.233 3.686 20 10 GHCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736819745 598570606 /nfs/dbraw/zinc/57/06/06/598570606.db2.gz OHBPQLHBQUSOAT-UHFFFAOYSA-N -1 1 383.887 3.542 20 10 GHCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736819745 598570608 /nfs/dbraw/zinc/57/06/08/598570608.db2.gz OHBPQLHBQUSOAT-UHFFFAOYSA-N -1 1 383.887 3.542 20 10 GHCDMM CCN(CC)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1F ZINC000736531914 598580162 /nfs/dbraw/zinc/58/01/62/598580162.db2.gz MJUHTVPAIVCWIE-UHFFFAOYSA-N -1 1 375.839 3.513 20 10 GHCDMM CCN(CC)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1F ZINC000736531914 598580163 /nfs/dbraw/zinc/58/01/63/598580163.db2.gz MJUHTVPAIVCWIE-UHFFFAOYSA-N -1 1 375.839 3.513 20 10 GHCDMM Cc1cc([C@H]2CCC[N@@H+]2Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])on1 ZINC000728195660 835093398 /nfs/dbraw/zinc/09/33/98/835093398.db2.gz KORFLWPVFZXEBL-GOSISDBHSA-N -1 1 378.428 3.962 20 10 GHCDMM Cc1cc([C@H]2CCC[N@H+]2Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])on1 ZINC000728195660 835093405 /nfs/dbraw/zinc/09/34/05/835093405.db2.gz KORFLWPVFZXEBL-GOSISDBHSA-N -1 1 378.428 3.962 20 10 GHCDMM O=C(NCC[C@H]1CNc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000892368630 835556059 /nfs/dbraw/zinc/55/60/59/835556059.db2.gz MQKGFERBDFSVIS-LBPRGKRZSA-N -1 1 390.281 3.553 20 10 GHCDMM COc1ccc(N2CCC(NC(=O)NCc3cccc(Cl)c3[O-])CC2)cc1 ZINC000892673958 838015651 /nfs/dbraw/zinc/01/56/51/838015651.db2.gz DLTXIPIEFDXOQV-UHFFFAOYSA-N -1 1 389.883 3.522 20 10 GHCDMM Cc1csc([C@H](C)CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277454461 846213688 /nfs/dbraw/zinc/21/36/88/846213688.db2.gz NOPRLIRZAMMWNX-SECBINFHSA-N -1 1 384.299 3.523 20 10 GHCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Br)cc(Br)c1 ZINC000206403946 849995208 /nfs/dbraw/zinc/99/52/08/849995208.db2.gz USHDDJBJPSUBRT-FPYGCLRLSA-N -1 1 379.098 3.700 20 10 GHCDMM COC(C)(C)c1nsc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000905420535 856313402 /nfs/dbraw/zinc/31/34/02/856313402.db2.gz VTNZKXYTTIPWFD-UHFFFAOYSA-N -1 1 376.251 3.639 20 10 GHCDMM CCOC(=O)c1cc(C(F)(F)F)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170322966 881359164 /nfs/dbraw/zinc/35/91/64/881359164.db2.gz QAVKAACBGVDQIK-UHFFFAOYSA-N -1 1 383.322 3.588 20 10 GHCDMM COc1cccc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764761469 859597797 /nfs/dbraw/zinc/59/77/97/859597797.db2.gz AKRHTKVBNGBYIT-NSHDSACASA-N -1 1 379.254 3.724 20 10 GHCDMM CC(C)Oc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764762451 859597854 /nfs/dbraw/zinc/59/78/54/859597854.db2.gz GDAOGFUVKBYDCO-UHFFFAOYSA-N -1 1 393.281 3.941 20 10 GHCDMM COc1ccc(CCCNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764765253 859601051 /nfs/dbraw/zinc/60/10/51/859601051.db2.gz RQYIUOAAWIHILV-UHFFFAOYSA-N -1 1 393.281 3.595 20 10 GHCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])Cc1cccs1 ZINC000764784566 859602885 /nfs/dbraw/zinc/60/28/85/859602885.db2.gz QPIMWQALIZQIHS-NSHDSACASA-N -1 1 383.311 3.894 20 10 GHCDMM COc1c(F)cc(F)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765315008 859901260 /nfs/dbraw/zinc/90/12/60/859901260.db2.gz FDCJZWQBBJJWAQ-UHFFFAOYSA-N -1 1 387.180 3.763 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CSc2ccccc21 ZINC000765514156 860036065 /nfs/dbraw/zinc/03/60/65/860036065.db2.gz XBTUCZBMZHLEGQ-ZDUSSCGKSA-N -1 1 379.279 3.801 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CSc2ccccc21 ZINC000765514154 860036860 /nfs/dbraw/zinc/03/68/60/860036860.db2.gz XBTUCZBMZHLEGQ-CYBMUJFWSA-N -1 1 379.279 3.801 20 10 GHCDMM CN(C)Cc1csc(CNCc2cc(Cl)cc(Br)c2[O-])n1 ZINC000922486985 860064425 /nfs/dbraw/zinc/06/44/25/860064425.db2.gz MMDAKUKPSAQGMY-UHFFFAOYSA-N -1 1 390.734 3.616 20 10 GHCDMM Cc1nc2c(s1)[C@@H](NC(=O)NCc1cccc(Br)c1[O-])CCC2 ZINC000765534043 860105881 /nfs/dbraw/zinc/10/58/81/860105881.db2.gz BBRPVSXXJALMBD-ZDUSSCGKSA-N -1 1 396.310 3.796 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])C1(Cc2ccccc2F)CC1 ZINC000765733186 860513072 /nfs/dbraw/zinc/51/30/72/860513072.db2.gz VBOVSFUVEYGLNZ-UHFFFAOYSA-N -1 1 378.241 3.933 20 10 GHCDMM CCOc1ccc2cc(C(=O)NCc3cccc(Br)c3[O-])[nH]c2c1 ZINC000765737131 860532503 /nfs/dbraw/zinc/53/25/03/860532503.db2.gz QKLZYDFPCYIXPM-UHFFFAOYSA-N -1 1 389.249 3.965 20 10 GHCDMM Cc1nc2ccc(C(=O)NCc3cccc(Br)c3[O-])cc2nc1C ZINC000765751202 860565570 /nfs/dbraw/zinc/56/55/70/860565570.db2.gz ACNYZUDOXYATEO-UHFFFAOYSA-N -1 1 386.249 3.645 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000792702436 881627238 /nfs/dbraw/zinc/62/72/38/881627238.db2.gz TVZDCHHRORFLML-VIFPVBQESA-N -1 1 385.894 3.892 20 10 GHCDMM COc1cccc(C(=O)C(F)(F)F)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193228938 870990809 /nfs/dbraw/zinc/99/08/09/870990809.db2.gz BEQHXNPJDMQTFH-UHFFFAOYSA-N -1 1 389.713 3.757 20 10 GHCDMM CC(C)CN1C(=O)C(=CNc2ccccc2-c2ccccc2)C(=O)[N-]C1=S ZINC000920976609 882496832 /nfs/dbraw/zinc/49/68/32/882496832.db2.gz LZQPQCNIGVXSTF-SFQUDFHCSA-N -1 1 379.485 3.549 20 10 GHCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)c(C)c1 ZINC001196887770 873429924 /nfs/dbraw/zinc/42/99/24/873429924.db2.gz JHFDMNAOSLOQCZ-UHFFFAOYSA-N -1 1 375.368 3.837 20 10 GHCDMM CCC[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nn[n-]n1 ZINC000772708014 877671500 /nfs/dbraw/zinc/67/15/00/877671500.db2.gz LPFVXOLOEDPWQA-GOSISDBHSA-N -1 1 392.467 3.952 20 10 GHCDMM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2c(F)ccc(O)c2[O-])C3)cs1 ZINC000789995722 879384880 /nfs/dbraw/zinc/38/48/80/879384880.db2.gz SUKACHWKWIJROT-UHFFFAOYSA-N -1 1 390.461 3.929 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000790473791 879746143 /nfs/dbraw/zinc/74/61/43/879746143.db2.gz AYUBNOXLQJPJNI-UHFFFAOYSA-N -1 1 386.395 3.828 20 10 GHCDMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000761994641 885125483 /nfs/dbraw/zinc/12/54/83/885125483.db2.gz AEGOGQZXNQRVEN-UHFFFAOYSA-N -1 1 399.852 3.640 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1[O-] ZINC000747470204 886160489 /nfs/dbraw/zinc/16/04/89/886160489.db2.gz ACASLDQETXWSEV-HSZRJFAPSA-N -1 1 381.472 3.721 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1[O-] ZINC000747470204 886160496 /nfs/dbraw/zinc/16/04/96/886160496.db2.gz ACASLDQETXWSEV-HSZRJFAPSA-N -1 1 381.472 3.721 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1csc2ccccc21 ZINC000795958664 913088062 /nfs/dbraw/zinc/08/80/62/913088062.db2.gz ZORDVWKHKLFKEC-UHFFFAOYSA-N -1 1 398.303 3.848 20 10 GHCDMM Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1C(=O)[O-] ZINC000794874844 888632612 /nfs/dbraw/zinc/63/26/12/888632612.db2.gz OPKNBHJCVGLUQG-UHFFFAOYSA-N -1 1 399.852 3.640 20 10 GHCDMM Cc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)cc1C(=O)[O-] ZINC001184699175 913366969 /nfs/dbraw/zinc/36/69/69/913366969.db2.gz MOXQYLNKXXUWPG-UHFFFAOYSA-N -1 1 393.420 3.705 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN[C@H](C)c2noc(COC(C)C)n2)c1 ZINC000811519177 889672665 /nfs/dbraw/zinc/67/26/65/889672665.db2.gz XCRNOFPIEAWNOQ-LLVKDONJSA-N -1 1 384.274 3.622 20 10 GHCDMM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000813355656 891536898 /nfs/dbraw/zinc/53/68/98/891536898.db2.gz CQGYXPOAHSVSKL-UHFFFAOYSA-N -1 1 383.492 3.536 20 10 GHCDMM C[C@H](C(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1)n1cncn1 ZINC000816525129 894924022 /nfs/dbraw/zinc/92/40/22/894924022.db2.gz GFSIJPWSFVFTFQ-LLVKDONJSA-N -1 1 389.818 3.588 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(Br)cc1 ZINC000041371765 896240092 /nfs/dbraw/zinc/24/00/92/896240092.db2.gz WXWVDZAGCCAMGF-UHFFFAOYSA-N -1 1 381.295 3.850 20 10 GHCDMM O=C1/C(=C\c2ccc([O-])c(Br)c2)SC(=S)N1Cc1ccon1 ZINC000130341230 897061647 /nfs/dbraw/zinc/06/16/47/897061647.db2.gz NCMVKGKSMKHXHD-WUXMJOGZSA-N -1 1 397.275 3.544 20 10 GHCDMM COc1ccc(NCc2cc(Br)cc(F)c2[O-])c(OC)c1OC ZINC000883060128 897244223 /nfs/dbraw/zinc/24/42/23/897244223.db2.gz YIEARLOKVGDQFH-UHFFFAOYSA-N -1 1 386.217 3.932 20 10 GHCDMM Cn1nc([C@@H]2CCCOC2)cc1NCc1cc(Br)cc(F)c1[O-] ZINC000883106565 897287040 /nfs/dbraw/zinc/28/70/40/897287040.db2.gz XHAHGOQRPNCKTC-SNVBAGLBSA-N -1 1 384.249 3.533 20 10 GHCDMM COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1F ZINC000134092077 899573077 /nfs/dbraw/zinc/57/30/77/899573077.db2.gz RFKQGYMDYJCWIV-UHFFFAOYSA-N -1 1 380.419 3.656 20 10 GHCDMM O=C([O-])c1ccsc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001144684940 902629545 /nfs/dbraw/zinc/62/95/45/902629545.db2.gz JRHKXMIOQUWOCA-UHFFFAOYSA-N -1 1 386.395 3.667 20 10 GHCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@@H]1/C=C/c1cccs1)cc2=O ZINC000846258406 902832226 /nfs/dbraw/zinc/83/22/26/902832226.db2.gz HKTAFRWTTCQPMX-MVGZEHJDSA-N -1 1 398.488 3.653 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C)n1-c1ccccc1C ZINC000774218521 911532317 /nfs/dbraw/zinc/53/23/17/911532317.db2.gz VBQYDQPTFIUZJP-INIZCTEOSA-N -1 1 380.448 3.511 20 10 GHCDMM CC[C@](O)(C(=O)NCc1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000800554755 920268013 /nfs/dbraw/zinc/26/80/13/920268013.db2.gz CCCYTUFXAAUZJR-QGZVFWFLSA-N -1 1 398.684 3.722 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1[O-] ZINC000750046682 927403989 /nfs/dbraw/zinc/40/39/89/927403989.db2.gz GNRKUSAILHSNQU-UHFFFAOYSA-N -1 1 394.302 3.614 20 10 GHCDMM COC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1C ZINC000758163013 929955403 /nfs/dbraw/zinc/95/54/03/929955403.db2.gz KBSJXOXXRATTSD-UHFFFAOYSA-N -1 1 390.244 3.595 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000781920512 931029358 /nfs/dbraw/zinc/02/93/58/931029358.db2.gz MNEKTQOFGVWIAN-CQSZACIVSA-N -1 1 396.285 3.543 20 10 GHCDMM O=C(COC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc([O-])c(O)c1 ZINC000783819840 931667878 /nfs/dbraw/zinc/66/78/78/931667878.db2.gz AJQYDTHPEGDSLR-OLZOCXBDSA-N -1 1 396.317 3.526 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783879133 931702288 /nfs/dbraw/zinc/70/22/88/931702288.db2.gz RNPSNICCZHSCPM-UONOGXRCSA-N -1 1 381.211 3.934 20 10 GHCDMM COC(=O)c1c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c2cc(F)ccc2n1C ZINC001593867125 955591066 /nfs/dbraw/zinc/59/10/66/955591066.db2.gz ZEBVMWSPFPIGRW-SJLPKXTDSA-N -1 1 396.418 3.507 20 10 GHCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1[O-] ZINC001589271129 985969532 /nfs/dbraw/zinc/96/95/32/985969532.db2.gz OGFRXPMYSMWXLG-OAHLLOKOSA-N -1 1 385.313 3.668 20 10 GHCDMM CN(C)c1ccc(/C=C/C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314247 991294786 /nfs/dbraw/zinc/29/47/86/991294786.db2.gz JXEUECVLAQJLCK-PXPVJAHISA-N -1 1 378.394 3.941 20 10 GHCDMM CN(Cc1ccc(N2CCCCC2)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598519127 992656585 /nfs/dbraw/zinc/65/65/85/992656585.db2.gz KNSRGSRRGBCCLB-UHFFFAOYSA-N -1 1 383.448 3.915 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c([O-])cccc2Cl)CC(F)(F)C1 ZINC001140341778 1021452081 /nfs/dbraw/zinc/45/20/81/1021452081.db2.gz HKUWTWZWQWQHLV-LLVKDONJSA-N -1 1 376.831 3.780 20 10 GHCDMM C[C@H](NCc1cn(-c2ccccc2)nn1)c1cc(Br)c(F)cc1[O-] ZINC000756742522 1023795263 /nfs/dbraw/zinc/79/52/63/1023795263.db2.gz NKPYXHXBSOOUQU-NSHDSACASA-N -1 1 391.244 3.725 20 10 GHCDMM Cc1cccc(COCc2cnc3n2CCN(Cc2cccc(F)c2[O-])[C@@H]3C)n1 ZINC001138125727 1024169388 /nfs/dbraw/zinc/16/93/88/1024169388.db2.gz WJLVVNOTACLXNV-MRXNPFEDSA-N -1 1 396.466 3.725 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2ccccc2Cl)CC1 ZINC001139126990 1025939225 /nfs/dbraw/zinc/93/92/25/1025939225.db2.gz ALSYIBBJSWWVAW-UHFFFAOYSA-N -1 1 384.863 3.783 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001139132655 1025945171 /nfs/dbraw/zinc/94/51/71/1025945171.db2.gz YVZUDJBYHAZXJW-UHFFFAOYSA-N -1 1 387.439 3.551 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CNCc1nccs1 ZINC001461079028 1069378576 /nfs/dbraw/zinc/37/85/76/1069378576.db2.gz QPSNWLVGLBSHBL-UHFFFAOYSA-N -1 1 378.089 3.664 20 10 GHCDMM Cc1nc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c(-c2ccccc2)s1 ZINC001214006117 1028503453 /nfs/dbraw/zinc/50/34/53/1028503453.db2.gz BGPKZNWDSPZHPZ-UHFFFAOYSA-N -1 1 394.905 3.956 20 10 GHCDMM C[C@H](Sc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)C(=O)[O-] ZINC000841818802 1028966318 /nfs/dbraw/zinc/96/63/18/1028966318.db2.gz WBQJCSMDQCMZEI-INIZCTEOSA-N -1 1 385.533 3.616 20 10 GHCDMM CC(C)Oc1cccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1 ZINC001217056885 1030130486 /nfs/dbraw/zinc/13/04/86/1030130486.db2.gz VHVKJMFYCHFFLX-UHFFFAOYSA-N -1 1 395.459 3.729 20 10 GHCDMM CC[C@@H]1CCCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785119 1033711624 /nfs/dbraw/zinc/71/16/24/1033711624.db2.gz DVHWIXASIUKQTH-DIFFPNOSSA-N -1 1 388.416 3.793 20 10 GHCDMM CC1(C)CCC(Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001229784932 1033711895 /nfs/dbraw/zinc/71/18/95/1033711895.db2.gz COILCWUALWFPHN-UHFFFAOYSA-N -1 1 388.416 3.793 20 10 GHCDMM Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cc1Cl ZINC001231869836 1034956067 /nfs/dbraw/zinc/95/60/67/1034956067.db2.gz XDITXVSHCFBXHF-ZAAXVRCTSA-N -1 1 388.895 3.807 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001461983256 1069928697 /nfs/dbraw/zinc/92/86/97/1069928697.db2.gz MSJPLLCBTRFWNH-ZDUSSCGKSA-N -1 1 399.329 3.904 20 10 GHCDMM O=C(NCc1cscc1Cl)NCc1cccc(Br)c1[O-] ZINC001248745313 1036102576 /nfs/dbraw/zinc/10/25/76/1036102576.db2.gz BZTOYVFZDIIRPG-UHFFFAOYSA-N -1 1 375.675 3.869 20 10 GHCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN(C)CC(F)(F)F)c2)nc1C ZINC001232451143 1038234803 /nfs/dbraw/zinc/23/48/03/1038234803.db2.gz IPJVHAOMMHGIDN-UHFFFAOYSA-N -1 1 388.411 3.995 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001233032280 1038786458 /nfs/dbraw/zinc/78/64/58/1038786458.db2.gz XSHDUPWDKKUVFZ-AWEZNQCLSA-N -1 1 381.245 3.732 20 10 GHCDMM Cc1ccc(-c2nnc(-c3cc([O-])c4c(c3)C(=O)c3cccc(O)c3C4=O)o2)cc1 ZINC001252625500 1039051704 /nfs/dbraw/zinc/05/17/04/1039051704.db2.gz XAWGXBJMPPZWKZ-UHFFFAOYSA-N -1 1 398.374 3.899 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416810 1039273807 /nfs/dbraw/zinc/27/38/07/1039273807.db2.gz XFPJKMWMDBUGSM-HUUCEWRRSA-N -1 1 386.414 3.995 20 10 GHCDMM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419537 1039279471 /nfs/dbraw/zinc/27/94/71/1039279471.db2.gz BOVHFEVCTSDBMZ-SJLPKXTDSA-N -1 1 395.377 3.526 20 10 GHCDMM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418714 1039280426 /nfs/dbraw/zinc/28/04/26/1039280426.db2.gz SBGCTYANIFYSJJ-UHFFFAOYSA-N -1 1 397.393 3.985 20 10 GHCDMM COC(C[N@@H+](Cc1ccccc1)Cc1cc(F)cc(Br)c1[O-])OC ZINC001235299571 1040772347 /nfs/dbraw/zinc/77/23/47/1040772347.db2.gz VZULFTYYQAWSFL-UHFFFAOYSA-N -1 1 398.272 3.915 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001235301216 1040776134 /nfs/dbraw/zinc/77/61/34/1040776134.db2.gz DUHASVXDEHJMNX-HNNXBMFYSA-N -1 1 381.245 3.732 20 10 GHCDMM COc1ccc(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1Cl ZINC001236802054 1041903740 /nfs/dbraw/zinc/90/37/40/1041903740.db2.gz NJBBLGUWBGZONQ-UHFFFAOYSA-N -1 1 396.915 3.887 20 10 GHCDMM COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c([O-])c1Cl ZINC001236802828 1041905221 /nfs/dbraw/zinc/90/52/21/1041905221.db2.gz VSQFUFCYYFZUID-UHFFFAOYSA-N -1 1 387.867 3.947 20 10 GHCDMM O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001237620919 1042287773 /nfs/dbraw/zinc/28/77/73/1042287773.db2.gz YWBYWLRBESXUNZ-SJCJKPOMSA-N -1 1 392.833 3.670 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2cccc3nsnc32)c(Cl)cc1Cl ZINC001260387625 1045486492 /nfs/dbraw/zinc/48/64/92/1045486492.db2.gz CLHYHSAMUIUVOD-UHFFFAOYSA-N -1 1 390.273 3.808 20 10 GHCDMM Cc1cccc(CO[C@@H](C)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001297440774 1045524623 /nfs/dbraw/zinc/52/46/23/1045524623.db2.gz QBDRHZZLTSTQFA-ZDUSSCGKSA-N -1 1 378.266 3.685 20 10 GHCDMM CN(C)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001262158766 1046203005 /nfs/dbraw/zinc/20/30/05/1046203005.db2.gz XDBABMOUVCNPET-NEPJUHHUSA-N -1 1 398.347 3.856 20 10 GHCDMM O=C(N[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1)c1ccccc1 ZINC001305069463 1047871308 /nfs/dbraw/zinc/87/13/08/1047871308.db2.gz GABPQDQRHLNRES-IBGZPJMESA-N -1 1 394.858 3.833 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C1=Cc2cc(Br)ccc2OC1 ZINC001305069798 1047871821 /nfs/dbraw/zinc/87/18/21/1047871821.db2.gz PAJBKVPLYAWNSB-UHFFFAOYSA-N -1 1 394.652 3.900 20 10 GHCDMM O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1c(F)ccc(O)c1[O-] ZINC001306435337 1048663256 /nfs/dbraw/zinc/66/32/56/1048663256.db2.gz OIVXVTDUANJJBO-UHFFFAOYSA-N -1 1 387.407 3.598 20 10 GHCDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC001307490432 1049330010 /nfs/dbraw/zinc/33/00/10/1049330010.db2.gz OYYDGHHOGHNWSU-IBGZPJMESA-N -1 1 386.879 3.876 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC001311774564 1052389100 /nfs/dbraw/zinc/38/91/00/1052389100.db2.gz IXEWFAWXIRSZID-IAGOWNOFSA-N -1 1 378.831 3.904 20 10 GHCDMM CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001337386490 1052462520 /nfs/dbraw/zinc/46/25/20/1052462520.db2.gz XYSANJLOAWREID-UHFFFAOYSA-N -1 1 388.851 3.529 20 10 GHCDMM CCCOc1nc(C)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001467765683 1067459112 /nfs/dbraw/zinc/45/91/12/1067459112.db2.gz ZEJTZGMVQPICLJ-UHFFFAOYSA-N -1 1 379.254 3.577 20 10 GHCDMM Cc1cc(C[C@@H](C)NC(=O)NCc2cccc(Cl)c2[O-])n(-c2ccccc2)n1 ZINC001478250791 1078785011 /nfs/dbraw/zinc/78/50/11/1078785011.db2.gz OCYWCWPYOIAXNX-CQSZACIVSA-N -1 1 398.894 3.970 20 10 GHCDMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001472316614 1073416719 /nfs/dbraw/zinc/41/67/19/1073416719.db2.gz ZKGMDSNIVFLSEU-NSHDSACASA-N -1 1 378.881 3.801 20 10 GHCDMM CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001472316613 1073416815 /nfs/dbraw/zinc/41/68/15/1073416815.db2.gz ZKGMDSNIVFLSEU-LLVKDONJSA-N -1 1 378.881 3.801 20 10 GHCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccc(C(F)(F)F)nc1Cl ZINC001472569312 1073555662 /nfs/dbraw/zinc/55/56/62/1073555662.db2.gz BUFVJBMXPNFUIR-LURJTMIESA-N -1 1 378.709 3.795 20 10 GHCDMM CC(C)CCOc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001475774786 1075018891 /nfs/dbraw/zinc/01/88/91/1075018891.db2.gz QFXJMDMBRUOKNL-UHFFFAOYSA-N -1 1 383.897 3.949 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H]2CC(=O)[O-])c(=O)c1-c1ccccc1 ZINC000833030384 604976110 /nfs/dbraw/zinc/97/61/10/604976110.db2.gz WGKUDRIOPCEASM-MRXNPFEDSA-N -1 1 393.439 3.913 20 10 GHCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000822308281 606394246 /nfs/dbraw/zinc/39/42/46/606394246.db2.gz BNZBVICKCGFYSY-MDWZMJQESA-N -1 1 385.499 3.642 20 10 GHCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1 ZINC000200562787 838853967 /nfs/dbraw/zinc/85/39/67/838853967.db2.gz USHDDJBJPSUBRT-BAQGIRSFSA-N -1 1 379.098 3.700 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000894076433 844478376 /nfs/dbraw/zinc/47/83/76/844478376.db2.gz MXDZDLOXHDYCCU-CQSZACIVSA-N -1 1 390.705 3.578 20 10 GHCDMM C[C@@H](C1CC1)n1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278239453 849809486 /nfs/dbraw/zinc/80/94/86/849809486.db2.gz XKEGIBLFJXTCTN-JTQLQIEISA-N -1 1 379.258 3.644 20 10 GHCDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000732525670 862335212 /nfs/dbraw/zinc/33/52/12/862335212.db2.gz AKCWVTYYAGFUBY-UHFFFAOYSA-N -1 1 388.489 3.654 20 10 GHCDMM CCCn1c2ccccc2c2nnc(SCC(=O)c3ccc([O-])c(O)c3)nc21 ZINC000913235311 853169975 /nfs/dbraw/zinc/16/99/75/853169975.db2.gz VETUTCSDTQZCQS-UHFFFAOYSA-N -1 1 394.456 3.776 20 10 GHCDMM Cc1nc2c(s1)c(-c1ccccc1)nnc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315631 881346365 /nfs/dbraw/zinc/34/63/65/881346365.db2.gz DHHCRYLLOKYEEM-UHFFFAOYSA-N -1 1 392.440 3.768 20 10 GHCDMM O=C(CNc1nnc(N2CCCCCC2)c2ccccc21)c1ccc([O-])c(O)c1 ZINC001170316631 881348143 /nfs/dbraw/zinc/34/81/43/881348143.db2.gz VBVWOOICJIESQE-UHFFFAOYSA-N -1 1 392.459 3.716 20 10 GHCDMM O=C(CNc1cc(-c2nc(-c3ccsc3)no2)ccn1)c1ccc([O-])c(O)c1 ZINC001170316683 881348225 /nfs/dbraw/zinc/34/82/25/881348225.db2.gz XYNSBVKJYNQAKJ-UHFFFAOYSA-N -1 1 394.412 3.566 20 10 GHCDMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000764766039 859594306 /nfs/dbraw/zinc/59/43/06/859594306.db2.gz XOEOETUQVVMEOF-ZWNOBZJWSA-N -1 1 379.254 3.871 20 10 GHCDMM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000764781096 859609145 /nfs/dbraw/zinc/60/91/45/859609145.db2.gz WBJAYPAEZVOKKH-HNNXBMFYSA-N -1 1 391.265 3.704 20 10 GHCDMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782300 859610078 /nfs/dbraw/zinc/61/00/78/859610078.db2.gz XJGZWUMVZQVIBG-ZBEGNZNMSA-N -1 1 375.266 3.887 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(-n2cccn2)cc1 ZINC000765228123 859855771 /nfs/dbraw/zinc/85/57/71/859855771.db2.gz RPXYRZWXFXMOSU-UHFFFAOYSA-N -1 1 387.237 3.662 20 10 GHCDMM CC[C@@H](C)n1nc(NC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765339657 859919361 /nfs/dbraw/zinc/91/93/61/859919361.db2.gz OLGTYIZSSKPTMV-SNVBAGLBSA-N -1 1 381.274 3.952 20 10 GHCDMM CCC(CC)[C@@H](CCNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000765531521 860102211 /nfs/dbraw/zinc/10/22/11/860102211.db2.gz CCPSBWKVIAXMQL-OAHLLOKOSA-N -1 1 387.318 3.795 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2cccc(F)c2)no1 ZINC000765745865 860561143 /nfs/dbraw/zinc/56/11/43/860561143.db2.gz AGYCOLVNNMGIHS-UHFFFAOYSA-N -1 1 391.196 3.879 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000765753777 860607360 /nfs/dbraw/zinc/60/73/60/860607360.db2.gz QAHKDXVABXAPMD-UHFFFAOYSA-N -1 1 398.640 3.509 20 10 GHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001193224772 870943919 /nfs/dbraw/zinc/94/39/19/870943919.db2.gz AUKYCOASQQFEOH-BTYIYWSLSA-N -1 1 387.863 3.930 20 10 GHCDMM Cc1ccc(N2CCNC2=O)cc1NCc1cccc(Br)c1[O-] ZINC000785551832 876104312 /nfs/dbraw/zinc/10/43/12/876104312.db2.gz YOQKNXDXRFAZJL-UHFFFAOYSA-N -1 1 376.254 3.605 20 10 GHCDMM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1c(F)ccc(O)c1O ZINC000790070871 879414855 /nfs/dbraw/zinc/41/48/55/879414855.db2.gz JSIWFGKYNYSKCC-UHFFFAOYSA-N -1 1 376.565 3.611 20 10 GHCDMM COCCN1C(=O)CCc2cc(NCc3c([O-])ccc(Cl)c3F)ccc21 ZINC000790987276 880118025 /nfs/dbraw/zinc/11/80/25/880118025.db2.gz AOJWXFAYPICZST-UHFFFAOYSA-N -1 1 378.831 3.722 20 10 GHCDMM Cc1nnc2c3ccccc3c(NCc3cccc(Br)c3[O-])nn12 ZINC000804654651 883201830 /nfs/dbraw/zinc/20/18/30/883201830.db2.gz VTRKTXWXOBCNEN-UHFFFAOYSA-N -1 1 384.237 3.666 20 10 GHCDMM Cc1cc(Br)c2c(c1)CCN(C(=O)c1c([O-])c(O)ccc1F)C2 ZINC001184116712 913035878 /nfs/dbraw/zinc/03/58/78/913035878.db2.gz FGNYADYPZCDKHB-UHFFFAOYSA-N -1 1 380.213 3.506 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c(Br)c1 ZINC000794591867 887573182 /nfs/dbraw/zinc/57/31/82/887573182.db2.gz FLBRLWIWLQMZSL-UHFFFAOYSA-N -1 1 392.658 3.618 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)cc1OC ZINC000119942515 887656420 /nfs/dbraw/zinc/65/64/20/887656420.db2.gz ITTTUSYSDSYTJT-UHFFFAOYSA-N -1 1 390.505 3.885 20 10 GHCDMM O=C([O-])[C@H]([NH2+]Cc1c([O-])cccc1Br)C(C1CCC1)C1CCC1 ZINC000864513805 887818602 /nfs/dbraw/zinc/81/86/02/887818602.db2.gz JPWBPICVDBZGNU-QGZVFWFLSA-N -1 1 382.298 3.914 20 10 GHCDMM COc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1OCCC(C)C ZINC000916621289 889197371 /nfs/dbraw/zinc/19/73/71/889197371.db2.gz OGDMSEXNKAXYDZ-UHFFFAOYSA-N -1 1 388.416 3.571 20 10 GHCDMM O=C1CCCC(=O)N1Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816569238 894950172 /nfs/dbraw/zinc/95/01/72/894950172.db2.gz DEFXCWJYQAIKJX-UHFFFAOYSA-N -1 1 376.815 3.836 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000822426416 898362850 /nfs/dbraw/zinc/36/28/50/898362850.db2.gz HXCTXUCBCUUYJO-UHFFFAOYSA-N -1 1 376.453 3.592 20 10 GHCDMM CC(C)n1cc(Cl)c(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000889556492 904640829 /nfs/dbraw/zinc/64/08/29/904640829.db2.gz ALPHOTMBUSLMJM-UHFFFAOYSA-N -1 1 387.665 3.907 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)ccc1[N+](=O)[O-] ZINC000775077088 914976851 /nfs/dbraw/zinc/97/68/51/914976851.db2.gz UYBSYTKHWOQQHL-MRXNPFEDSA-N -1 1 396.802 3.675 20 10 GHCDMM Cc1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])ccc1Cl ZINC001189953196 917016515 /nfs/dbraw/zinc/01/65/15/917016515.db2.gz DEBNONBWABWGCJ-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM CCOC(=O)Oc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000800555298 920267939 /nfs/dbraw/zinc/26/79/39/920267939.db2.gz VIPMBUMHJIKTGS-UHFFFAOYSA-N -1 1 394.221 3.620 20 10 GHCDMM CCc1ccccc1OCCC(=O)NCc1cccc(Br)c1[O-] ZINC000803213709 922789385 /nfs/dbraw/zinc/78/93/85/922789385.db2.gz WKIHKIOMLMUGJA-UHFFFAOYSA-N -1 1 378.266 3.802 20 10 GHCDMM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)ccc1[O-] ZINC000751060676 928007583 /nfs/dbraw/zinc/00/75/83/928007583.db2.gz NGPUWNYFSALSCE-UHFFFAOYSA-N -1 1 380.366 3.532 20 10 GHCDMM COc1c(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cccc1C(N)=O ZINC000757659790 929762017 /nfs/dbraw/zinc/76/20/17/929762017.db2.gz PYNQNYKCGJRSLN-QMMMGPOBSA-N -1 1 383.217 3.574 20 10 GHCDMM C[C@H](O)[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892270 930629787 /nfs/dbraw/zinc/62/97/87/930629787.db2.gz IVSDXELWYAQVDS-VHSXEESVSA-N -1 1 393.119 3.510 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2nc(-c3cccnc3)no2)c1 ZINC000781907162 931023041 /nfs/dbraw/zinc/02/30/41/931023041.db2.gz DOBVZERVAJBEJP-UHFFFAOYSA-N -1 1 389.253 3.540 20 10 GHCDMM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783054607 931396671 /nfs/dbraw/zinc/39/66/71/931396671.db2.gz BLMCZWVNDAUTHM-SECBINFHSA-N -1 1 385.199 3.598 20 10 GHCDMM CN(c1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1)C1CCCCC1 ZINC001625905451 1014358693 /nfs/dbraw/zinc/35/86/93/1014358693.db2.gz STCMNZVDIFWFCU-UHFFFAOYSA-N -1 1 380.492 3.759 20 10 GHCDMM CC(C)(C)OC(=O)c1ccnc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001625980282 1014615089 /nfs/dbraw/zinc/61/50/89/1014615089.db2.gz NVNHCWPCIIATGS-UHFFFAOYSA-N -1 1 377.828 3.718 20 10 GHCDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1Br)c1ccc(N(C)C)cc1 ZINC001593194243 994131989 /nfs/dbraw/zinc/13/19/89/994131989.db2.gz CEBUBNNDILJGDX-SJKOYZFVSA-N -1 1 377.282 3.992 20 10 GHCDMM C[C@@H](COc1ccccc1)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228113807 1032789593 /nfs/dbraw/zinc/78/95/93/1032789593.db2.gz DZGHBJBBQJZCGE-AWEZNQCLSA-N -1 1 380.396 3.881 20 10 GHCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@H]3CCC=CO3)c21 ZINC001228196225 1032835444 /nfs/dbraw/zinc/83/54/44/1032835444.db2.gz XIDLQUNZNOCJOE-KDOFPFPSSA-N -1 1 384.384 3.581 20 10 GHCDMM C[C@H](NCc1cn(-c2ccccc2)nn1)c1cc(Br)cc(F)c1[O-] ZINC000756743764 1023796056 /nfs/dbraw/zinc/79/60/56/1023796056.db2.gz VSXRXYBKZPYEQG-NSHDSACASA-N -1 1 391.244 3.725 20 10 GHCDMM C[C@@H](NCc1cc(Br)cc(Br)c1[O-])c1ccn(C)n1 ZINC000839190892 1025710878 /nfs/dbraw/zinc/71/08/78/1025710878.db2.gz KRAWQUSHFOORCQ-MRVPVSSYSA-N -1 1 389.091 3.502 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001203574087 1027443488 /nfs/dbraw/zinc/44/34/88/1027443488.db2.gz OGDFPXZHAGJTBE-DGCLKSJQSA-N -1 1 376.177 3.926 20 10 GHCDMM Cc1cc(F)c(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cc1F ZINC001217056670 1030128364 /nfs/dbraw/zinc/12/83/64/1030128364.db2.gz OYWKYYXLNUJPEV-UHFFFAOYSA-N -1 1 387.386 3.528 20 10 GHCDMM O=C(CNC(=O)c1c(Cl)ccc2cc(Cl)cnc21)c1ccc([O-])c(O)c1 ZINC001153480551 1031610504 /nfs/dbraw/zinc/61/05/04/1031610504.db2.gz NISDRQVTBNSQQW-UHFFFAOYSA-N -1 1 391.210 3.566 20 10 GHCDMM C[C@@H]1CCC[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)[C@H]1C ZINC001229792195 1033717840 /nfs/dbraw/zinc/71/78/40/1033717840.db2.gz PUQVEJYWYDFPIQ-RLFDGXBXSA-N -1 1 388.416 3.649 20 10 GHCDMM CCN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@@H]1c1cccc(C)c1 ZINC001159041605 1034397048 /nfs/dbraw/zinc/39/70/48/1034397048.db2.gz UIAMGKRGXNKESZ-LPHOPBHVSA-N -1 1 386.879 3.580 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001159041354 1034397763 /nfs/dbraw/zinc/39/77/63/1034397763.db2.gz JMYMHTKLHYDXSW-UHFFFAOYSA-N -1 1 379.750 3.963 20 10 GHCDMM CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566647 1034714725 /nfs/dbraw/zinc/71/47/25/1034714725.db2.gz PMDGVABMIKOTRX-WKILWMFISA-N -1 1 377.481 3.672 20 10 GHCDMM C[C@@H]1Cc2cccc(Br)c2C[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231568282 1034717541 /nfs/dbraw/zinc/71/75/41/1034717541.db2.gz KCIAODRLWAQEIC-LLVKDONJSA-N -1 1 376.250 3.800 20 10 GHCDMM C[C@@H]1Cc2cccc(Br)c2CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231568282 1034717548 /nfs/dbraw/zinc/71/75/48/1034717548.db2.gz KCIAODRLWAQEIC-LLVKDONJSA-N -1 1 376.250 3.800 20 10 GHCDMM Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cc1Cl ZINC001231869833 1034956654 /nfs/dbraw/zinc/95/66/54/1034956654.db2.gz XDITXVSHCFBXHF-MOXGXCLJSA-N -1 1 388.895 3.807 20 10 GHCDMM COc1ccc(CN2CC[C@H]2c2ccccc2)c([O-])c1I ZINC001248493979 1035913269 /nfs/dbraw/zinc/91/32/69/1035913269.db2.gz CXEUHUNISCHGSZ-AWEZNQCLSA-N -1 1 395.240 3.952 20 10 GHCDMM COc1ccc(CN2CC[C@@H]2c2ccccc2)c([O-])c1I ZINC001248493980 1035913406 /nfs/dbraw/zinc/91/34/06/1035913406.db2.gz CXEUHUNISCHGSZ-CQSZACIVSA-N -1 1 395.240 3.952 20 10 GHCDMM C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])n1[nH]c(CCC2CCCCC2)cc1=O ZINC001245943189 1037070308 /nfs/dbraw/zinc/07/03/08/1037070308.db2.gz PQTVJCCBHQRUOY-NRFANRHFSA-N -1 1 388.464 3.555 20 10 GHCDMM O=C(Nc1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418695 1039279305 /nfs/dbraw/zinc/27/93/05/1039279305.db2.gz RJKXDHUFEGFMAK-UHFFFAOYSA-N -1 1 379.382 3.761 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001234473330 1040056201 /nfs/dbraw/zinc/05/62/01/1040056201.db2.gz DBAUHSMNNFPZBG-YVEFUNNKSA-N -1 1 379.453 3.715 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001234474925 1040059366 /nfs/dbraw/zinc/05/93/66/1040059366.db2.gz ZTWHPHYWFSHVFW-SFHVURJKSA-N -1 1 391.464 3.859 20 10 GHCDMM CC[C@H](C)N1C[C@@]2(F)CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@]2(F)C1=O ZINC001277992985 1041800214 /nfs/dbraw/zinc/80/02/14/1041800214.db2.gz QQHAITVIQLLFNC-PZDALLCQSA-N -1 1 393.261 3.572 20 10 GHCDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC001307490433 1049330581 /nfs/dbraw/zinc/33/05/81/1049330581.db2.gz OYYDGHHOGHNWSU-LJQANCHMSA-N -1 1 386.879 3.876 20 10 GHCDMM CC(C)CNC(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001465297161 1065530871 /nfs/dbraw/zinc/53/08/71/1065530871.db2.gz OPOSJAOWFLKEPI-UHFFFAOYSA-N -1 1 375.856 3.753 20 10 GHCDMM Cc1ccc(NCCCNC(=O)NCc2cccc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC001468952708 1067936712 /nfs/dbraw/zinc/93/67/12/1067936712.db2.gz YALLXNSFRHCFBX-UHFFFAOYSA-N -1 1 392.843 3.564 20 10 GHCDMM Cc1ccc(N2C(=O)C(=Cc3[nH]nc4cc(C(=O)[O-])ccc34)SC2=S)cc1 ZINC000765501412 1068114637 /nfs/dbraw/zinc/11/46/37/1068114637.db2.gz KNFBBJZQCZCTAO-SXGWCWSVSA-N -1 1 395.465 3.975 20 10 GHCDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756899 1068120979 /nfs/dbraw/zinc/12/09/79/1068120979.db2.gz ONGIWLIAPFWKKO-UHFFFAOYSA-N -1 1 393.237 3.918 20 10 GHCDMM Cc1nc(-c2cccc(NCc3cc(Br)cc(F)c3[O-])c2)n[nH]1 ZINC001474057342 1074250568 /nfs/dbraw/zinc/25/05/68/1074250568.db2.gz DFOOKULZEKOQED-UHFFFAOYSA-N -1 1 377.217 3.999 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@@H+](C)CC(=O)[O-])c(=O)c1-c1ccccc1Cl ZINC000740274702 597055711 /nfs/dbraw/zinc/05/57/11/597055711.db2.gz QQORJUQNFHILQY-UHFFFAOYSA-N -1 1 387.819 3.644 20 10 GHCDMM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000820705260 606393226 /nfs/dbraw/zinc/39/32/26/606393226.db2.gz SKCMZKFNEQHKPO-QMNRKCHLSA-N -1 1 391.547 3.708 20 10 GHCDMM CC(C)(C)n1cc(C(=O)NCc2cccc(Cl)c2[O-])c(Br)n1 ZINC000890759170 836698821 /nfs/dbraw/zinc/69/88/21/836698821.db2.gz FQEPRPIICFBACL-UHFFFAOYSA-N -1 1 386.677 3.690 20 10 GHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000766047073 862539567 /nfs/dbraw/zinc/53/95/67/862539567.db2.gz FISJZCLJFWZYKW-UHFFFAOYSA-N -1 1 379.437 3.967 20 10 GHCDMM C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765755214 855993131 /nfs/dbraw/zinc/99/31/31/855993131.db2.gz HXOXMMYWKBDHEH-JTQLQIEISA-N -1 1 384.657 3.892 20 10 GHCDMM COc1cccc([C@@H](C)CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765758474 856392695 /nfs/dbraw/zinc/39/26/95/856392695.db2.gz XXUJFCGPTKHPEH-LBPRGKRZSA-N -1 1 378.266 3.973 20 10 GHCDMM O=C(CSCc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000765758471 856392898 /nfs/dbraw/zinc/39/28/98/856392898.db2.gz XWJMNBHMSOEJHA-UHFFFAOYSA-N -1 1 384.270 3.843 20 10 GHCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])C(=O)c1cccc(F)c1 ZINC000765757601 856446310 /nfs/dbraw/zinc/44/63/10/856446310.db2.gz RPUPJUOXJVMUFS-LLVKDONJSA-N -1 1 394.240 3.819 20 10 GHCDMM C[C@@H](CCc1ccccc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764748425 859589373 /nfs/dbraw/zinc/58/93/73/859589373.db2.gz XGCYIHOPIOESTP-ZDUSSCGKSA-N -1 1 377.282 3.975 20 10 GHCDMM C[C@@H](Cc1ccccc1F)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764761661 859599287 /nfs/dbraw/zinc/59/92/87/859599287.db2.gz CHLXTVWIDGTFRL-NSHDSACASA-N -1 1 381.245 3.724 20 10 GHCDMM Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000764765500 859600071 /nfs/dbraw/zinc/60/00/71/859600071.db2.gz DWHBORWIVJXDRX-MRXNPFEDSA-N -1 1 375.266 3.950 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCOc2ccccc21 ZINC000764779580 859608577 /nfs/dbraw/zinc/60/85/77/859608577.db2.gz JTWAGICJOROUCW-GFCCVEGCSA-N -1 1 391.265 3.520 20 10 GHCDMM O=C(NCCC1Cc2ccccc2C1)NCc1cccc(Br)c1[O-] ZINC000764802091 859614813 /nfs/dbraw/zinc/61/48/13/859614813.db2.gz YGZQHGLXTHSLNU-UHFFFAOYSA-N -1 1 389.293 3.759 20 10 GHCDMM CC(C)C[C@H]1OCCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764804918 859617079 /nfs/dbraw/zinc/61/70/79/859617079.db2.gz JYBCDAJHSJLYMQ-HUUCEWRRSA-N -1 1 385.302 3.548 20 10 GHCDMM [O-]c1c(Br)cccc1CNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000764934834 859690298 /nfs/dbraw/zinc/69/02/98/859690298.db2.gz NNUKMVWUGHAVEN-UHFFFAOYSA-N -1 1 396.248 3.872 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1nc2ccccc2[nH]1 ZINC000765454457 859976743 /nfs/dbraw/zinc/97/67/43/859976743.db2.gz WYXORESKNNRLJO-SNVBAGLBSA-N -1 1 389.253 3.591 20 10 GHCDMM Cc1cccc2c1CC[C@@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000765482954 859996886 /nfs/dbraw/zinc/99/68/86/859996886.db2.gz SXZIMFGLLIOJRE-INIZCTEOSA-N -1 1 375.266 3.950 20 10 GHCDMM CCOc1ccccc1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765731008 860506266 /nfs/dbraw/zinc/50/62/66/860506266.db2.gz FOPDQNPPDOZCAU-UHFFFAOYSA-N -1 1 378.266 3.802 20 10 GHCDMM Cc1nc(C(F)(F)F)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765737750 860537901 /nfs/dbraw/zinc/53/79/01/860537901.db2.gz YTEYOLXGUGOMEV-UHFFFAOYSA-N -1 1 389.171 3.807 20 10 GHCDMM COc1ccccc1C/C(C)=C/C(=O)NCc1cccc(Br)c1[O-] ZINC000765750885 860565623 /nfs/dbraw/zinc/56/56/23/860565623.db2.gz NHSSGDLVPPFXLI-ACCUITESSA-N -1 1 390.277 3.969 20 10 GHCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])C(=O)c1ccccc1 ZINC000765752517 860569782 /nfs/dbraw/zinc/56/97/82/860569782.db2.gz XCLHGFJSYKDCKG-GFCCVEGCSA-N -1 1 376.250 3.680 20 10 GHCDMM O=C(CCCOc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765753662 860581694 /nfs/dbraw/zinc/58/16/94/860581694.db2.gz PADNSVATKMLLPL-UHFFFAOYSA-N -1 1 382.229 3.769 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCCC[C@H]1C(F)(F)F ZINC001237779985 864290208 /nfs/dbraw/zinc/29/02/08/864290208.db2.gz ODTNOFRYWXKYPE-NSHDSACASA-N -1 1 385.167 3.914 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCOC3(CCCCC3)C2)c1[O-] ZINC000742166594 867090484 /nfs/dbraw/zinc/09/04/84/867090484.db2.gz XWMFXNMBNDWJBX-UHFFFAOYSA-N -1 1 381.472 3.864 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCOC3(CCCCC3)C2)c1[O-] ZINC000742166594 867090499 /nfs/dbraw/zinc/09/04/99/867090499.db2.gz XWMFXNMBNDWJBX-UHFFFAOYSA-N -1 1 381.472 3.864 20 10 GHCDMM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193231959 870961050 /nfs/dbraw/zinc/96/10/50/870961050.db2.gz CMGOFWAMBKUNMV-UHFFFAOYSA-N -1 1 380.791 3.682 20 10 GHCDMM CC(C)CN1C(=O)C(=CNc2ccc(-c3ccccc3)cc2)C(=O)[N-]C1=S ZINC000920974465 882495575 /nfs/dbraw/zinc/49/55/75/882495575.db2.gz MNQQMNZNWODHRP-LDADJPATSA-N -1 1 379.485 3.549 20 10 GHCDMM O=C1c2ccccc2N[C@H](c2cc(Cl)cc(F)c2[O-])N1C[C@H]1CCCO1 ZINC000768266928 873197793 /nfs/dbraw/zinc/19/77/93/873197793.db2.gz XEJOAWLAHPPYFZ-XIKOKIGWSA-N -1 1 376.815 3.930 20 10 GHCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c([O-])cccc1F ZINC000772115008 875705516 /nfs/dbraw/zinc/70/55/16/875705516.db2.gz NNCCTFINHHFLJX-GFCCVEGCSA-N -1 1 380.366 3.532 20 10 GHCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])CC(F)(F)F ZINC000852724887 878550788 /nfs/dbraw/zinc/55/07/88/878550788.db2.gz PRYDSWITVZSKKK-UHFFFAOYSA-N -1 1 383.208 3.933 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000789307639 878825723 /nfs/dbraw/zinc/82/57/23/878825723.db2.gz VYDALYOXGGMZFR-DZGCQCFKSA-N -1 1 379.229 3.649 20 10 GHCDMM COc1ccc(N2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC000180420139 878885348 /nfs/dbraw/zinc/88/53/48/878885348.db2.gz PHUZNYZIZNQYPI-UHFFFAOYSA-N -1 1 394.393 3.772 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)ccc1O ZINC000776748149 879884660 /nfs/dbraw/zinc/88/46/60/879884660.db2.gz XWFVEPUUBVMVMX-UHFFFAOYSA-N -1 1 376.659 3.917 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000093908032 912512021 /nfs/dbraw/zinc/51/20/21/912512021.db2.gz PNADUJNNPYRRAG-UHFFFAOYSA-N -1 1 382.441 3.683 20 10 GHCDMM C[C@@H](NC(c1ccnn1C)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858585007 883214729 /nfs/dbraw/zinc/21/47/29/883214729.db2.gz YJYKLNXVQFXZFS-SNVBAGLBSA-N -1 1 380.279 3.606 20 10 GHCDMM Cc1cc(Br)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000805601054 883904617 /nfs/dbraw/zinc/90/46/17/883904617.db2.gz ZKWZJELDDLKQMY-UHFFFAOYSA-N -1 1 399.624 3.862 20 10 GHCDMM CCN(CC)S(=O)(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000863988428 887503985 /nfs/dbraw/zinc/50/39/85/887503985.db2.gz PEABYVOGOZPRNX-UHFFFAOYSA-N -1 1 386.876 3.827 20 10 GHCDMM COc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000763257315 888400448 /nfs/dbraw/zinc/40/04/48/888400448.db2.gz FKGLETFINISBHV-OAHLLOKOSA-N -1 1 391.851 3.581 20 10 GHCDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000811704131 889878104 /nfs/dbraw/zinc/87/81/04/889878104.db2.gz AAMTXLDMOQDRNM-UHFFFAOYSA-N -1 1 394.449 3.643 20 10 GHCDMM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000812646319 890840497 /nfs/dbraw/zinc/84/04/97/890840497.db2.gz JSSMWWDPQRQMKH-SFHVURJKSA-N -1 1 378.808 3.581 20 10 GHCDMM CC(C)(C)NS(=O)(=O)c1cc(NCc2cccc(Cl)c2[O-])ccc1F ZINC000813331003 891511696 /nfs/dbraw/zinc/51/16/96/891511696.db2.gz BFCFTJOZXDMUHR-UHFFFAOYSA-N -1 1 386.876 3.874 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@H](c3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774878623 913868610 /nfs/dbraw/zinc/86/86/10/913868610.db2.gz UWDSSVICHFOQAI-INIZCTEOSA-N -1 1 378.812 3.536 20 10 GHCDMM Cn1nc([C@H]2CCCOC2)cc1NCc1cc(Br)cc(F)c1[O-] ZINC000883106564 897286846 /nfs/dbraw/zinc/28/68/46/897286846.db2.gz XHAHGOQRPNCKTC-JTQLQIEISA-N -1 1 384.249 3.533 20 10 GHCDMM CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000801549388 921121129 /nfs/dbraw/zinc/12/11/29/921121129.db2.gz MGMAGJDVIJHYNX-UHFFFAOYSA-N -1 1 396.491 3.519 20 10 GHCDMM Cc1cc(NCc2cc(Br)cc(F)c2[O-])ccc1C(=O)N(C)C ZINC001178904113 909305344 /nfs/dbraw/zinc/30/53/44/909305344.db2.gz OZGXHTOFWASNEU-UHFFFAOYSA-N -1 1 381.245 3.916 20 10 GHCDMM CC[C@@H](Cc1ccccc1Br)NC(=O)c1c([O-])c(O)ccc1F ZINC001182968254 912157739 /nfs/dbraw/zinc/15/77/39/912157739.db2.gz FKFVRWPLZOBDRF-NSHDSACASA-N -1 1 382.229 3.751 20 10 GHCDMM COc1c([O-])c(CN2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775095077 915072680 /nfs/dbraw/zinc/07/26/80/915072680.db2.gz AQPBHVQJRZJNDN-PXAZEXFGSA-N -1 1 392.839 3.924 20 10 GHCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1Cl ZINC000775291936 916834866 /nfs/dbraw/zinc/83/48/66/916834866.db2.gz SDYMKIUEEAOXBG-UHFFFAOYSA-N -1 1 383.853 3.558 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N(C)[C@H](C)c2ccccc2)c1[O-] ZINC000800499787 920193970 /nfs/dbraw/zinc/19/39/70/920193970.db2.gz JUGQROHHTUHDMC-CQSZACIVSA-N -1 1 388.895 3.900 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000827294612 925201612 /nfs/dbraw/zinc/20/16/12/925201612.db2.gz IITCPIPHRKUAHW-LBPRGKRZSA-N -1 1 379.815 3.822 20 10 GHCDMM COc1ccc(N2CCC(NC(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000726626003 926771032 /nfs/dbraw/zinc/77/10/32/926771032.db2.gz SGSKMMVGLNOZFI-UHFFFAOYSA-N -1 1 376.456 3.953 20 10 GHCDMM COc1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000726627931 926772373 /nfs/dbraw/zinc/77/23/73/926772373.db2.gz QKTDQGXEFZAISG-UHFFFAOYSA-N -1 1 376.456 3.953 20 10 GHCDMM COC(=O)c1ccc2c(c1)CN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC000781912842 931026601 /nfs/dbraw/zinc/02/66/01/931026601.db2.gz QXDRLDIIDLRBDO-UHFFFAOYSA-N -1 1 376.250 3.766 20 10 GHCDMM O=C(COC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc([O-])c(O)c1 ZINC000783540823 931576289 /nfs/dbraw/zinc/57/62/89/931576289.db2.gz DHJTZHFBHAXUHK-STQMWFEESA-N -1 1 381.211 3.934 20 10 GHCDMM O=C(COC(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccc([O-])c(O)c1 ZINC000784609530 931956041 /nfs/dbraw/zinc/95/60/41/931956041.db2.gz RJAOFRHLUMFTTP-UHFFFAOYSA-N -1 1 391.351 3.539 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccc1O ZINC000797819947 932417060 /nfs/dbraw/zinc/41/70/60/932417060.db2.gz YEKHRHNNXFCBJW-UHFFFAOYSA-N -1 1 381.759 3.874 20 10 GHCDMM C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848593889 969268858 /nfs/dbraw/zinc/26/88/58/969268858.db2.gz UYRSVBVTFRJAIY-JFUSQASVSA-N -1 1 389.279 3.634 20 10 GHCDMM CN(C)c1ccc(CNC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])cc1F ZINC001625952197 1014529702 /nfs/dbraw/zinc/52/97/02/1014529702.db2.gz WXZPQZCPGJUBGS-UHFFFAOYSA-N -1 1 382.391 3.600 20 10 GHCDMM CN(C)c1ncc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c2ccccc21 ZINC001598354023 991463620 /nfs/dbraw/zinc/46/36/20/991463620.db2.gz QVAPIOUMMDAMGV-UHFFFAOYSA-N -1 1 399.878 3.747 20 10 GHCDMM CN(C)c1ncc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c2ccccc21 ZINC001598354023 991463624 /nfs/dbraw/zinc/46/36/24/991463624.db2.gz QVAPIOUMMDAMGV-UHFFFAOYSA-N -1 1 399.878 3.747 20 10 GHCDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1cnc2ccccn21 ZINC001228115472 1032790027 /nfs/dbraw/zinc/79/00/27/1032790027.db2.gz PLUNQSHFDPNBMA-CYBMUJFWSA-N -1 1 390.395 3.822 20 10 GHCDMM COC1=CC[C@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)CC1 ZINC001228191226 1032832211 /nfs/dbraw/zinc/83/22/11/1032832211.db2.gz PCBHJFZWZXDKLS-KXBFYZLASA-N -1 1 398.411 3.972 20 10 GHCDMM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3c([O-])cc(F)cc3F)C2)CC1 ZINC001140583975 1022007464 /nfs/dbraw/zinc/00/74/64/1022007464.db2.gz AEODHBORRRBMRV-UHFFFAOYSA-N -1 1 382.451 3.893 20 10 GHCDMM C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)cc(F)c1[O-] ZINC000756797706 1023817527 /nfs/dbraw/zinc/81/75/27/1023817527.db2.gz UTXUTPLTOMRDIS-QMMMGPOBSA-N -1 1 381.201 3.798 20 10 GHCDMM C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)c(F)cc1[O-] ZINC000756817774 1023826779 /nfs/dbraw/zinc/82/67/79/1023826779.db2.gz BWFJYAQEZNDGPV-SNVBAGLBSA-N -1 1 394.244 3.997 20 10 GHCDMM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@H]1C ZINC001141373052 1024761797 /nfs/dbraw/zinc/76/17/97/1024761797.db2.gz KVBREJAJYJFRMY-JOYOIKCWSA-N -1 1 376.678 3.582 20 10 GHCDMM Cc1cnc(O[C@H]2CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)nc1 ZINC001141377695 1024775906 /nfs/dbraw/zinc/77/59/06/1024775906.db2.gz XYUVVDDEHUGELR-ZDUSSCGKSA-N -1 1 398.688 3.560 20 10 GHCDMM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001139681111 1026536115 /nfs/dbraw/zinc/53/61/15/1026536115.db2.gz IJKUCBNKUQCKLL-YMRXKLBXSA-N -1 1 378.444 3.966 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001139974463 1026771460 /nfs/dbraw/zinc/77/14/60/1026771460.db2.gz CWHSEJCTMZPZQX-QWHCGFSZSA-N -1 1 382.204 3.853 20 10 GHCDMM COc1cc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)ccc1-n1cnc(C)c1 ZINC001216952354 1030024879 /nfs/dbraw/zinc/02/48/79/1030024879.db2.gz WVMMEHSPJIRDSP-UHFFFAOYSA-N -1 1 398.806 3.971 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1noc(Cc2ccccc2)n1 ZINC001223240540 1030492161 /nfs/dbraw/zinc/49/21/61/1030492161.db2.gz AOGYWCNYZAPEIH-LBPRGKRZSA-N -1 1 386.839 3.580 20 10 GHCDMM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Br)c1[O-] ZINC001276943953 1030871890 /nfs/dbraw/zinc/87/18/90/1030871890.db2.gz FGACAGYPYFZKEX-IUIKQTSFSA-N -1 1 399.304 3.658 20 10 GHCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@@H]1CCc2ccccc21 ZINC001229786212 1033713499 /nfs/dbraw/zinc/71/34/99/1033713499.db2.gz MZUDNZYFAUXDEK-GOSISDBHSA-N -1 1 394.379 3.512 20 10 GHCDMM COC(=O)C1CCC(Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229828643 1033740270 /nfs/dbraw/zinc/74/02/70/1033740270.db2.gz BIKPQIXBWOHCRP-UHFFFAOYSA-N -1 1 394.423 3.587 20 10 GHCDMM CC(C)(C)OC(=O)NCC[C@H](NCc1ccc(Cl)cc1[O-])C(F)(F)F ZINC001206312989 1033791918 /nfs/dbraw/zinc/79/19/18/1033791918.db2.gz DHQWJCRPWXZRSV-ZDUSSCGKSA-N -1 1 382.810 3.981 20 10 GHCDMM CC(C)(C)OC(=O)NCC[C@@H](NCc1ccc(Cl)cc1[O-])C(F)(F)F ZINC001206312985 1033792496 /nfs/dbraw/zinc/79/24/96/1033792496.db2.gz DHQWJCRPWXZRSV-CYBMUJFWSA-N -1 1 382.810 3.981 20 10 GHCDMM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001230361941 1034013687 /nfs/dbraw/zinc/01/36/87/1034013687.db2.gz BFERXPFLQJUSTP-NEPJUHHUSA-N -1 1 385.892 3.537 20 10 GHCDMM CCCC[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231565596 1034714281 /nfs/dbraw/zinc/71/42/81/1034714281.db2.gz HSUPWEKLCRORKR-QGZVFWFLSA-N -1 1 392.496 3.702 20 10 GHCDMM CCCC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231565596 1034714295 /nfs/dbraw/zinc/71/42/95/1034714295.db2.gz HSUPWEKLCRORKR-QGZVFWFLSA-N -1 1 392.496 3.702 20 10 GHCDMM CCOC[C@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cn(CC3CC3)nc21 ZINC001231910854 1034986042 /nfs/dbraw/zinc/98/60/42/1034986042.db2.gz XNKGULBQPDABDI-QGZVFWFLSA-N -1 1 375.900 3.788 20 10 GHCDMM O=C(NCc1ccc(OCc2ccccc2F)cc1)c1c(F)ccc(O)c1[O-] ZINC001161119842 1035148434 /nfs/dbraw/zinc/14/84/34/1035148434.db2.gz QCXVOCQHKFEVAJ-UHFFFAOYSA-N -1 1 385.366 3.885 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001248635541 1036015094 /nfs/dbraw/zinc/01/50/94/1036015094.db2.gz GNPRDGYPWALWPK-SNVBAGLBSA-N -1 1 394.225 3.623 20 10 GHCDMM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030590 1038782125 /nfs/dbraw/zinc/78/21/25/1038782125.db2.gz ZNMJZSUGLFIXHK-LLVKDONJSA-N -1 1 388.277 3.848 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC(C(F)(F)F)CC2)c1 ZINC001233306514 1039097960 /nfs/dbraw/zinc/09/79/60/1039097960.db2.gz TUGWJYBKNBQMAD-UHFFFAOYSA-N -1 1 396.203 3.716 20 10 GHCDMM CCOC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2nn(CC)cc21 ZINC001233417554 1039277392 /nfs/dbraw/zinc/27/73/92/1039277392.db2.gz YLSDVDSNVBYTOJ-CQSZACIVSA-N -1 1 383.414 3.763 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2nn(CC)cc21 ZINC001233417553 1039277417 /nfs/dbraw/zinc/27/74/17/1039277417.db2.gz YLSDVDSNVBYTOJ-AWEZNQCLSA-N -1 1 383.414 3.763 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001233497506 1039392357 /nfs/dbraw/zinc/39/23/57/1039392357.db2.gz OBZJAIHJQIFTQB-SUMWQHHRSA-N -1 1 397.443 3.807 20 10 GHCDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001253698832 1039770799 /nfs/dbraw/zinc/77/07/99/1039770799.db2.gz VNFCROFHYPSPCQ-UHFFFAOYSA-N -1 1 382.279 3.832 20 10 GHCDMM CC[C@H](C)OC(=O)N1CCCC[C@H]1CCOc1cc([O-])c(O)cc1C(C)=O ZINC001234476196 1040059238 /nfs/dbraw/zinc/05/92/38/1040059238.db2.gz LPLLWXZQFKEBDF-ZFWWWQNUSA-N -1 1 379.453 3.859 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001235066183 1040555776 /nfs/dbraw/zinc/55/57/76/1040555776.db2.gz YNENSKMUZMTXJU-HNNXBMFYSA-N -1 1 381.245 3.732 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001235300811 1040773149 /nfs/dbraw/zinc/77/31/49/1040773149.db2.gz BVTFIRLQUIDHDU-UHFFFAOYSA-N -1 1 398.247 3.917 20 10 GHCDMM COC(=O)c1ccc(C2CN(Cc3cc(F)cc(Br)c3[O-])C2)cc1 ZINC001235306325 1040777609 /nfs/dbraw/zinc/77/76/09/1040777609.db2.gz TUOSPOVDQXUXTL-UHFFFAOYSA-N -1 1 394.240 3.680 20 10 GHCDMM CCOC(=O)c1coc(C2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)n1 ZINC001237802767 1042378394 /nfs/dbraw/zinc/37/83/94/1042378394.db2.gz OXXSZOORWVCTCH-UHFFFAOYSA-N -1 1 382.819 3.729 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2c1cnn2CC1CC1 ZINC001237936483 1042428097 /nfs/dbraw/zinc/42/80/97/1042428097.db2.gz CVSRZNNYFDWVIA-HNNXBMFYSA-N -1 1 393.890 3.927 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(Br)c1)c1cccc2cnccc21 ZINC001259156672 1044982640 /nfs/dbraw/zinc/98/26/40/1044982640.db2.gz GBEPULIOAVUKBU-UHFFFAOYSA-N -1 1 379.235 3.504 20 10 GHCDMM O=S(=O)([N-]c1c(Cl)ccc2cccnc21)c1cccc2nsnc21 ZINC001260388183 1045486380 /nfs/dbraw/zinc/48/63/80/1045486380.db2.gz YLBPDOIMJHUYCV-UHFFFAOYSA-N -1 1 376.850 3.694 20 10 GHCDMM Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001260462761 1045504020 /nfs/dbraw/zinc/50/40/20/1045504020.db2.gz HNPKVUXYSREJFN-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000765753858 1068120927 /nfs/dbraw/zinc/12/09/27/1068120927.db2.gz RCNDZZVATLIPQW-SECBINFHSA-N -1 1 397.200 3.622 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c1[O-] ZINC001473862470 1074180096 /nfs/dbraw/zinc/18/00/96/1074180096.db2.gz HQFNKIZRXDOPKD-PHIMTYICSA-N -1 1 378.822 3.705 20 10 GHCDMM CN(C1CC1)S(=O)(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC001474262529 1074316117 /nfs/dbraw/zinc/31/61/17/1074316117.db2.gz VNHZHKIGFNAAIE-UHFFFAOYSA-N -1 1 384.860 3.580 20 10 GHCDMM O=[N+]([O-])c1ccc([O-])c(CNc2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC001474294403 1074328984 /nfs/dbraw/zinc/32/89/84/1074328984.db2.gz NOHZAMXFPCTDPK-UHFFFAOYSA-N -1 1 381.161 3.690 20 10 GHCDMM O=C([O-])C[N@H+](Cc1ccc(Br)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739794425 600145653 /nfs/dbraw/zinc/14/56/53/600145653.db2.gz ZUIOLKUSLILCLB-UHFFFAOYSA-N -1 1 384.657 3.895 20 10 GHCDMM O=C([O-])C[N@@H+](Cc1ccc(Br)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739794425 600145654 /nfs/dbraw/zinc/14/56/54/600145654.db2.gz ZUIOLKUSLILCLB-UHFFFAOYSA-N -1 1 384.657 3.895 20 10 GHCDMM Cc1sc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nc1-c1ccccc1 ZINC000738398969 601358284 /nfs/dbraw/zinc/35/82/84/601358284.db2.gz QAMNZOLYBWSNPP-UHFFFAOYSA-N -1 1 392.433 3.757 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@H]2CC(=O)[O-])c(=O)c1-c1ccccc1 ZINC000833030383 604975633 /nfs/dbraw/zinc/97/56/33/604975633.db2.gz WGKUDRIOPCEASM-INIZCTEOSA-N -1 1 393.439 3.913 20 10 GHCDMM Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000822293612 606394273 /nfs/dbraw/zinc/39/42/73/606394273.db2.gz DTTIBGWZQSSBKZ-MDWZMJQESA-N -1 1 399.526 3.951 20 10 GHCDMM CC(C)(C)N1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000728199559 835102547 /nfs/dbraw/zinc/10/25/47/835102547.db2.gz WOEVXVUKFXUTBI-UHFFFAOYSA-N -1 1 382.504 3.635 20 10 GHCDMM CC(C)(C)N1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000728199559 835102550 /nfs/dbraw/zinc/10/25/50/835102550.db2.gz WOEVXVUKFXUTBI-UHFFFAOYSA-N -1 1 382.504 3.635 20 10 GHCDMM CC(C)(C)N1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000728199559 835102553 /nfs/dbraw/zinc/10/25/53/835102553.db2.gz WOEVXVUKFXUTBI-UHFFFAOYSA-N -1 1 382.504 3.635 20 10 GHCDMM O=C(NC1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1)C1CCCC1 ZINC000890757729 836683785 /nfs/dbraw/zinc/68/37/85/836683785.db2.gz JNMQSKPKBATLCL-UHFFFAOYSA-N -1 1 378.900 3.527 20 10 GHCDMM CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c21 ZINC000782934130 838459066 /nfs/dbraw/zinc/45/90/66/838459066.db2.gz QKFCHTPDPIMPAC-UHFFFAOYSA-N -1 1 396.399 3.675 20 10 GHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Br)c(Br)c1 ZINC000255383593 842592775 /nfs/dbraw/zinc/59/27/75/842592775.db2.gz SDZAMOOJZPOLFU-YWEYNIOJSA-N -1 1 379.098 3.700 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(N2CC(F)(F)C2)CC1 ZINC001141372907 843270764 /nfs/dbraw/zinc/27/07/64/843270764.db2.gz DBCQVLWJSFCJQS-UHFFFAOYSA-N -1 1 395.675 3.723 20 10 GHCDMM C[C@@H](NCc1nnc2n1CCCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000760869269 856198004 /nfs/dbraw/zinc/19/80/04/856198004.db2.gz NIFICZZTUZWLTL-SECBINFHSA-N -1 1 385.693 3.587 20 10 GHCDMM C[C@H](NCc1nnc2n1CCCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000760869270 856198062 /nfs/dbraw/zinc/19/80/62/856198062.db2.gz NIFICZZTUZWLTL-VIFPVBQESA-N -1 1 385.693 3.587 20 10 GHCDMM CC(C)c1ncc(Cl)c(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765770939 857713078 /nfs/dbraw/zinc/71/30/78/857713078.db2.gz SVNAGBPXBDLZCQ-UHFFFAOYSA-N -1 1 384.661 3.652 20 10 GHCDMM CCOCc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764764092 859599913 /nfs/dbraw/zinc/59/99/13/859599913.db2.gz XQMLOJUIRNETFQ-UHFFFAOYSA-N -1 1 393.281 3.691 20 10 GHCDMM O=C(NCCCOc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000764768955 859603868 /nfs/dbraw/zinc/60/38/68/859603868.db2.gz KVFHQUJNVYGRNX-UHFFFAOYSA-N -1 1 397.244 3.562 20 10 GHCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])Oc1ccccc1F ZINC000764791648 859611125 /nfs/dbraw/zinc/61/11/25/859611125.db2.gz OYUIBHCGNKZMNO-LLVKDONJSA-N -1 1 397.244 3.561 20 10 GHCDMM CSc1nc2ncnc(NCc3cccc(Br)c3[O-])c2s1 ZINC000764933990 859690474 /nfs/dbraw/zinc/69/04/74/859690474.db2.gz HELGTKZEJKPXTI-UHFFFAOYSA-N -1 1 383.296 3.888 20 10 GHCDMM COc1ccc(C)cc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000765453164 859981151 /nfs/dbraw/zinc/98/11/51/859981151.db2.gz JUPUBYGBMAYHJA-UHFFFAOYSA-N -1 1 393.281 3.514 20 10 GHCDMM C[C@H](Cc1ccccc1)NC(=S)NCc1cccc(Br)c1[O-] ZINC000765991482 860091248 /nfs/dbraw/zinc/09/12/48/860091248.db2.gz AFJKNSPHPGHOTD-GFCCVEGCSA-N -1 1 379.323 3.750 20 10 GHCDMM CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1cccc(Br)c1[O-] ZINC000765538649 860111685 /nfs/dbraw/zinc/11/16/85/860111685.db2.gz APEGAIFQRKPJIV-NSHDSACASA-N -1 1 383.208 3.931 20 10 GHCDMM Cc1ccc(C(=O)CCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765731257 860505332 /nfs/dbraw/zinc/50/53/32/860505332.db2.gz ISPMTIKKBMYULT-UHFFFAOYSA-N -1 1 376.250 3.742 20 10 GHCDMM O=C(CSc1ccc(F)c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765734944 860525817 /nfs/dbraw/zinc/52/58/17/860525817.db2.gz ACGQHRVPOZKPMC-UHFFFAOYSA-N -1 1 388.233 3.841 20 10 GHCDMM Cc1ccccc1-n1cc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765751184 860564989 /nfs/dbraw/zinc/56/49/89/860564989.db2.gz REQLWNRDEPHFEN-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM COc1ccc(OCCCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765754216 860567789 /nfs/dbraw/zinc/56/77/89/860567789.db2.gz SRJJOPKVLZYIIF-UHFFFAOYSA-N -1 1 394.265 3.639 20 10 GHCDMM CCNC(=O)N(C)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000793316024 882096220 /nfs/dbraw/zinc/09/62/20/882096220.db2.gz ALKSZXLPJGADOH-UHFFFAOYSA-N -1 1 378.270 3.933 20 10 GHCDMM O=C(Nc1ccc(Br)c2c[nH]nc21)c1ccc(O)c([O-])c1Cl ZINC001193230241 870990182 /nfs/dbraw/zinc/99/01/82/870990182.db2.gz RUTZKTXIWPFSTF-UHFFFAOYSA-N -1 1 382.601 3.642 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2-c2cccs2)c1 ZINC000769656189 874217115 /nfs/dbraw/zinc/21/71/15/874217115.db2.gz WZUPBFIWTQRXMW-UHFFFAOYSA-N -1 1 388.470 3.745 20 10 GHCDMM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(-c2ccccc2)cc1 ZINC000769928588 874372569 /nfs/dbraw/zinc/37/25/69/874372569.db2.gz NCQWVBPNMANOCU-UHFFFAOYSA-N -1 1 396.468 3.707 20 10 GHCDMM CC(C)Sc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769991640 874389286 /nfs/dbraw/zinc/38/92/86/874389286.db2.gz BIKMJOLRAAGODL-UHFFFAOYSA-N -1 1 380.491 3.517 20 10 GHCDMM O=c1cc(NCc2cc(Cl)c3cccnc3c2[O-])ccn1Cc1ccncc1 ZINC001168525826 879853189 /nfs/dbraw/zinc/85/31/89/879853189.db2.gz MENAQICWSHJWDH-UHFFFAOYSA-N -1 1 392.846 3.811 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](COc3ccccc3)C2)c1[O-] ZINC000792375909 881061379 /nfs/dbraw/zinc/06/13/79/881061379.db2.gz HOCOLLPDXZJAKX-GOSISDBHSA-N -1 1 375.852 3.528 20 10 GHCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cc(Br)ccc1F ZINC000808115342 886026202 /nfs/dbraw/zinc/02/62/02/886026202.db2.gz YRSBQCPDEUXABW-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM CC[C@@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000866628724 888981155 /nfs/dbraw/zinc/98/11/55/888981155.db2.gz MWHZJHZBUBACRG-CYBMUJFWSA-N -1 1 384.263 3.508 20 10 GHCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1O ZINC000811704332 889878293 /nfs/dbraw/zinc/87/82/93/889878293.db2.gz ABCSUBAWSKSNRM-UHFFFAOYSA-N -1 1 378.475 3.728 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)c1[O-] ZINC000795118393 890352881 /nfs/dbraw/zinc/35/28/81/890352881.db2.gz BJOAUTVWTPRLNR-STQMWFEESA-N -1 1 380.916 3.716 20 10 GHCDMM O=C(Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1)N1CCSCC1 ZINC000817406597 895586291 /nfs/dbraw/zinc/58/62/91/895586291.db2.gz VMIUQNXJRQDFLQ-UHFFFAOYSA-N -1 1 394.899 3.915 20 10 GHCDMM COc1cnc2ccccc2c1C(=O)NCc1cccc(Br)c1[O-] ZINC000801965836 921697657 /nfs/dbraw/zinc/69/76/57/921697657.db2.gz YXSBBIXRQPMEOW-UHFFFAOYSA-N -1 1 387.233 3.642 20 10 GHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000751547142 928241142 /nfs/dbraw/zinc/24/11/42/928241142.db2.gz JILHUFWWZARYKG-UHFFFAOYSA-N -1 1 376.659 3.917 20 10 GHCDMM C[C@@H](O)[C@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892271 930630020 /nfs/dbraw/zinc/63/00/20/930630020.db2.gz IVSDXELWYAQVDS-ZJUUUORDSA-N -1 1 393.119 3.510 20 10 GHCDMM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783054608 931396767 /nfs/dbraw/zinc/39/67/67/931396767.db2.gz BLMCZWVNDAUTHM-VIFPVBQESA-N -1 1 385.199 3.598 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1[O-] ZINC000784006578 931751729 /nfs/dbraw/zinc/75/17/29/931751729.db2.gz ZTLOYFAGYKHFFS-SFHVURJKSA-N -1 1 381.472 3.577 20 10 GHCDMM O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137839845 935817796 /nfs/dbraw/zinc/81/77/96/935817796.db2.gz MFEXXIIJCBHKJC-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000829677767 935844261 /nfs/dbraw/zinc/84/42/61/935844261.db2.gz KYTMXCKBPOCIJI-UHFFFAOYSA-N -1 1 387.505 3.682 20 10 GHCDMM COc1ccc(N2CCCN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)cc1 ZINC001599586051 993614534 /nfs/dbraw/zinc/61/45/34/993614534.db2.gz KDDIGTPKIDEEQF-LJQANCHMSA-N -1 1 392.858 3.826 20 10 GHCDMM CCCc1nc2ccc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cc2o1 ZINC001155228139 1032464473 /nfs/dbraw/zinc/46/44/73/1032464473.db2.gz LWIAGZAXXRUFOQ-UHFFFAOYSA-N -1 1 380.356 3.550 20 10 GHCDMM C[C@H](Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2)C(F)(F)F ZINC001228192740 1032832252 /nfs/dbraw/zinc/83/22/52/1032832252.db2.gz WNTLJQJPDXLXSA-RMLUDKJBSA-N -1 1 384.306 3.840 20 10 GHCDMM C[C@H](Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2)C(F)(F)F ZINC001228192742 1032833195 /nfs/dbraw/zinc/83/31/95/1032833195.db2.gz WNTLJQJPDXLXSA-RTHLEPHNSA-N -1 1 384.306 3.840 20 10 GHCDMM Cc1cccc(COCc2cnc3n2CCN(Cc2cccc(F)c2[O-])[C@H]3C)n1 ZINC001138125726 1024169190 /nfs/dbraw/zinc/16/91/90/1024169190.db2.gz WJLVVNOTACLXNV-INIZCTEOSA-N -1 1 396.466 3.725 20 10 GHCDMM Oc1cc(-c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)cc(Cl)c1O ZINC001216976844 1030046429 /nfs/dbraw/zinc/04/64/29/1030046429.db2.gz LIJPSVPUMFWAJX-WEVVVXLNSA-N -1 1 384.823 3.930 20 10 GHCDMM C[C@@H]1CCC[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)[C@@H]1C ZINC001229792193 1033717135 /nfs/dbraw/zinc/71/71/35/1033717135.db2.gz PUQVEJYWYDFPIQ-AGKHESDQSA-N -1 1 388.416 3.649 20 10 GHCDMM O=C(CNC(F)(F)c1ccc2c(ccnc2Cl)c1)c1ccc([O-])c(O)c1 ZINC001159280404 1034520606 /nfs/dbraw/zinc/52/06/06/1034520606.db2.gz PDNAPPNPNRMCDX-UHFFFAOYSA-N -1 1 378.762 3.821 20 10 GHCDMM C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565371 1034715988 /nfs/dbraw/zinc/71/59/88/1034715988.db2.gz UYTUIBOISLXNCF-UHFFFAOYSA-N -1 1 392.496 3.559 20 10 GHCDMM C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565371 1034716000 /nfs/dbraw/zinc/71/60/00/1034716000.db2.gz UYTUIBOISLXNCF-UHFFFAOYSA-N -1 1 392.496 3.559 20 10 GHCDMM C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565371 1034716013 /nfs/dbraw/zinc/71/60/13/1034716013.db2.gz UYTUIBOISLXNCF-UHFFFAOYSA-N -1 1 392.496 3.559 20 10 GHCDMM COc1cc(CN(C)Cc2c([O-])cc(Br)cc2F)cc(OC)c1 ZINC001233031112 1038784436 /nfs/dbraw/zinc/78/44/36/1038784436.db2.gz VZVAFMXMURBTBM-UHFFFAOYSA-N -1 1 384.245 3.943 20 10 GHCDMM Cc1cccc(N2CCC[C@]3(CN(Cc4c([O-])ccc(F)c4F)CCO3)C2)c1 ZINC001233333081 1039130969 /nfs/dbraw/zinc/13/09/69/1039130969.db2.gz JATZFFOKLNVDFV-QFIPXVFZSA-N -1 1 388.458 3.850 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1Cc1c([O-])ccc(F)c1F ZINC001233335937 1039137578 /nfs/dbraw/zinc/13/75/78/1039137578.db2.gz RSMBXNUDIKKFLC-KRWDZBQOSA-N -1 1 375.415 3.939 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001233496391 1039389662 /nfs/dbraw/zinc/38/96/62/1039389662.db2.gz FWFFASHYLAQXGD-WPKBUWHJSA-N -1 1 391.464 3.715 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OCc1cc(Br)cnc1OC(C)C ZINC001234475034 1040058562 /nfs/dbraw/zinc/05/85/62/1040058562.db2.gz CCNKVRMMMODDEK-UHFFFAOYSA-N -1 1 396.237 3.824 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001234474411 1040059532 /nfs/dbraw/zinc/05/95/32/1040059532.db2.gz SAOCRUKRTOLVMF-UHFFFAOYSA-N -1 1 391.464 3.859 20 10 GHCDMM Cc1cccc(O[C@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC001235075750 1040562732 /nfs/dbraw/zinc/56/27/32/1040562732.db2.gz OYALMXSCRBEXMH-AWEZNQCLSA-N -1 1 381.245 3.651 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC(Oc2ccc(F)cn2)CC1 ZINC001235075923 1040565086 /nfs/dbraw/zinc/56/50/86/1040565086.db2.gz RMXOAXYSICWRMG-UHFFFAOYSA-N -1 1 399.235 3.871 20 10 GHCDMM CCOCc1ncn2c1CN(Cc1cc(C)cc(Br)c1[O-])CCC2 ZINC001236665810 1041813270 /nfs/dbraw/zinc/81/32/70/1041813270.db2.gz KGTZJCCCPJDJAS-UHFFFAOYSA-N -1 1 394.313 3.602 20 10 GHCDMM COc1ccc(CN2CCN(c3nsc4ccccc43)CC2)c([O-])c1Cl ZINC001236802952 1041905231 /nfs/dbraw/zinc/90/52/31/1041905231.db2.gz XBWWXKRKKAQQSH-UHFFFAOYSA-N -1 1 389.908 3.986 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001237077145 1042023963 /nfs/dbraw/zinc/02/39/63/1042023963.db2.gz CXSSVMQXUJKGFB-UHFFFAOYSA-N -1 1 393.318 3.690 20 10 GHCDMM CCOC(=O)c1cnc2n1CCN(Cc1c([O-])ccc(Cl)c1Cl)[C@@H]2C ZINC001237083671 1042028901 /nfs/dbraw/zinc/02/89/01/1042028901.db2.gz BKJGEDFVLHTVBX-SNVBAGLBSA-N -1 1 384.263 3.649 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)CC[C@H]1F ZINC001237125511 1042053083 /nfs/dbraw/zinc/05/30/83/1042053083.db2.gz DDAPEIXTZVTIDR-DGCLKSJQSA-N -1 1 376.831 3.622 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCC[C@@H]1c1nccs1 ZINC001237778864 1042365293 /nfs/dbraw/zinc/36/52/93/1042365293.db2.gz CFUDYGFKUIHJJM-GFCCVEGCSA-N -1 1 386.258 3.790 20 10 GHCDMM CS(=O)(=O)c1cccc(C2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)c1 ZINC001237940882 1042431111 /nfs/dbraw/zinc/43/11/11/1042431111.db2.gz OSDTVHLOBLQHQU-UHFFFAOYSA-N -1 1 397.899 3.968 20 10 GHCDMM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1F)c1cccc2nonc21 ZINC001260441232 1045496356 /nfs/dbraw/zinc/49/63/56/1045496356.db2.gz WPJIHPGBSIXVJY-UHFFFAOYSA-N -1 1 380.159 3.609 20 10 GHCDMM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1cccc(Cl)c1[O-] ZINC001305069685 1047871653 /nfs/dbraw/zinc/87/16/53/1047871653.db2.gz KUILBJCRAJJHGZ-UHFFFAOYSA-N -1 1 392.242 3.998 20 10 GHCDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000755082455 1050258856 /nfs/dbraw/zinc/25/88/56/1050258856.db2.gz MIVNLKZPEGMTOU-UHFFFAOYSA-N -1 1 375.450 3.613 20 10 GHCDMM C[C@H]1CN(c2ccc(NC(=O)NCc3cccc(Cl)c3[O-])cc2)CCO1 ZINC001354647518 1056856473 /nfs/dbraw/zinc/85/64/73/1056856473.db2.gz SBAQLSRUKQFDAE-ZDUSSCGKSA-N -1 1 375.856 3.592 20 10 GHCDMM O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1c(F)ccc(O)c1[O-] ZINC001457825768 1063390239 /nfs/dbraw/zinc/39/02/39/1063390239.db2.gz XOGZTCHLNUOARM-LLVKDONJSA-N -1 1 384.176 3.556 20 10 GHCDMM Cc1ccc(Br)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001464787246 1065211536 /nfs/dbraw/zinc/21/15/36/1065211536.db2.gz KHXPMSYHZLEHEB-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001478467652 1078879833 /nfs/dbraw/zinc/87/98/33/1078879833.db2.gz QAWCCQSEAWQSIL-UONOGXRCSA-N -1 1 397.903 3.681 20 10 GHCDMM O=C1CCC(=O)N1c1cccc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC001474752817 1074546293 /nfs/dbraw/zinc/54/62/93/1074546293.db2.gz OILCXTRTOKIFPR-UHFFFAOYSA-N -1 1 393.212 3.559 20 10 GHCDMM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000821492358 606393756 /nfs/dbraw/zinc/39/37/56/606393756.db2.gz NDNZABLUDFVQAA-ZROIWOOFSA-N -1 1 399.526 3.896 20 10 GHCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1C ZINC000822308727 606394131 /nfs/dbraw/zinc/39/41/31/606394131.db2.gz JCZUABMWLZIAKO-RIYZIHGNSA-N -1 1 399.526 3.951 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000055679059 854052885 /nfs/dbraw/zinc/05/28/85/854052885.db2.gz SEHRCKMNCKNYQS-UHFFFAOYSA-N -1 1 394.496 3.991 20 10 GHCDMM O=C(COC/C=C\c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765757067 856348258 /nfs/dbraw/zinc/34/82/58/856348258.db2.gz QCPXKHHJXQRDON-YVMONPNESA-N -1 1 376.250 3.501 20 10 GHCDMM C[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(Br)c1[O-] ZINC000765765270 857012755 /nfs/dbraw/zinc/01/27/55/857012755.db2.gz QSQWFPPAZDTMFU-JTQLQIEISA-N -1 1 384.657 3.892 20 10 GHCDMM O=C(COc1ccc(F)c(Cl)c1)NCc1cccc(Br)c1[O-] ZINC000765764626 857123437 /nfs/dbraw/zinc/12/34/37/857123437.db2.gz NBBMVLCKNBIEQX-UHFFFAOYSA-N -1 1 388.620 3.642 20 10 GHCDMM O=C(CNc1cc(-c2ccccn2)nc(-c2ccccn2)c1)c1ccc([O-])c(O)c1 ZINC001170314742 881345779 /nfs/dbraw/zinc/34/57/79/881345779.db2.gz HAFHCJLKUWIWOY-UHFFFAOYSA-N -1 1 398.422 3.912 20 10 GHCDMM COc1cc2cc(Cl)nc(NCC(=O)c3ccc([O-])c(O)c3)c2cc1OC ZINC001170316381 881346406 /nfs/dbraw/zinc/34/64/06/881346406.db2.gz OXWYYAMYYOGJEU-UHFFFAOYSA-N -1 1 388.807 3.611 20 10 GHCDMM Cc1nc2sc3c(c2c(NCC(=O)c2ccc([O-])c(O)c2)n1)CC[C@H](C)C3 ZINC001170316453 881346700 /nfs/dbraw/zinc/34/67/00/881346700.db2.gz RWGMQICCDCHEPK-JTQLQIEISA-N -1 1 383.473 3.831 20 10 GHCDMM O=C(CNc1ncc(Cl)c(-c2c[nH]c3ccccc32)n1)c1ccc([O-])c(O)c1 ZINC001170316819 881347204 /nfs/dbraw/zinc/34/72/04/881347204.db2.gz PSROPYXYEDNHGP-UHFFFAOYSA-N -1 1 394.818 3.984 20 10 GHCDMM Cc1ccccc1C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764766001 859594401 /nfs/dbraw/zinc/59/44/01/859594401.db2.gz XLIKHDCENUZEEP-ZDUSSCGKSA-N -1 1 377.282 3.894 20 10 GHCDMM C[C@H]1CCCC[C@@H]1OCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764765215 859601169 /nfs/dbraw/zinc/60/11/69/859601169.db2.gz RHNNQEJOGBQHDL-WFASDCNBSA-N -1 1 385.302 3.549 20 10 GHCDMM CC(C)[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])c1cccnc1 ZINC000764790243 859610181 /nfs/dbraw/zinc/61/01/81/859610181.db2.gz IPTFBTQTBVETKW-OAHLLOKOSA-N -1 1 392.297 3.789 20 10 GHCDMM COCCOc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765227317 859855568 /nfs/dbraw/zinc/85/55/68/859855568.db2.gz NOLNZIGCDVZIJM-UHFFFAOYSA-N -1 1 395.253 3.502 20 10 GHCDMM CC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765240462 859859645 /nfs/dbraw/zinc/85/96/45/859859645.db2.gz DIFLBCJPPDCPKA-UHFFFAOYSA-N -1 1 392.253 3.743 20 10 GHCDMM CCOc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1OC ZINC000765251797 859867013 /nfs/dbraw/zinc/86/70/13/859867013.db2.gz LUAACLYLTCXYRV-UHFFFAOYSA-N -1 1 395.253 3.884 20 10 GHCDMM O=C(NCCc1cc2ccccc2o1)NCc1cccc(Br)c1[O-] ZINC000765510613 860036608 /nfs/dbraw/zinc/03/66/08/860036608.db2.gz LOHXAEQFYFZTSD-UHFFFAOYSA-N -1 1 389.249 3.943 20 10 GHCDMM C[C@@H](Cc1ccccc1)NC(=S)NCc1cccc(Br)c1[O-] ZINC000765991483 860092255 /nfs/dbraw/zinc/09/22/55/860092255.db2.gz AFJKNSPHPGHOTD-LBPRGKRZSA-N -1 1 379.323 3.750 20 10 GHCDMM C[C@@H](CCOc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765728585 860491525 /nfs/dbraw/zinc/49/15/25/860491525.db2.gz WJFXFESAMPXLSX-ZDUSSCGKSA-N -1 1 378.266 3.876 20 10 GHCDMM CCc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1C(C)(C)C ZINC000765728423 860493105 /nfs/dbraw/zinc/49/31/05/860493105.db2.gz RNPCTVPMKOEUCQ-UHFFFAOYSA-N -1 1 380.286 3.599 20 10 GHCDMM COc1cccc2[nH]cc(CC(=O)NCc3cccc(Br)c3[O-])c21 ZINC000765730521 860500478 /nfs/dbraw/zinc/50/04/78/860500478.db2.gz CNBWBNJKRSJHSW-UHFFFAOYSA-N -1 1 389.249 3.504 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Br)s1 ZINC000765750752 860565388 /nfs/dbraw/zinc/56/53/88/860565388.db2.gz LESGRDGJXDICGW-UHFFFAOYSA-N -1 1 391.084 3.909 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000765737111 860532622 /nfs/dbraw/zinc/53/26/22/860532622.db2.gz QDOWXTKXNOLGEQ-MRXNPFEDSA-N -1 1 390.277 3.979 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1OC(F)(F)F ZINC000765737740 860538084 /nfs/dbraw/zinc/53/80/84/860538084.db2.gz YIWBLRAAMHDFGR-UHFFFAOYSA-N -1 1 390.155 3.983 20 10 GHCDMM COc1ccc(SCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765752913 860567005 /nfs/dbraw/zinc/56/70/05/860567005.db2.gz JUPBNGBMMIEUPN-UHFFFAOYSA-N -1 1 382.279 3.572 20 10 GHCDMM CC[C@@H]1NC(=O)N(c2cccc(NCc3c([O-])ccc(Cl)c3F)c2)C1=O ZINC000793347758 882144217 /nfs/dbraw/zinc/14/42/17/882144217.db2.gz QVEXSZBRHSIZLU-AWEZNQCLSA-N -1 1 377.803 3.632 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@@]1(C)CCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193231972 870961081 /nfs/dbraw/zinc/96/10/81/870961081.db2.gz CVJXSPFXHDGOFK-LJQANCHMSA-N -1 1 398.887 3.518 20 10 GHCDMM O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccc(O)c([O-])c1Cl ZINC001193236547 870964406 /nfs/dbraw/zinc/96/44/06/870964406.db2.gz HGGZNRJGNQRRAM-UHFFFAOYSA-N -1 1 379.199 3.588 20 10 GHCDMM O=C(NCCc1ccc(OCc2ccccn2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193246876 870972004 /nfs/dbraw/zinc/97/20/04/870972004.db2.gz DJSTTYMNHGGSRA-UHFFFAOYSA-N -1 1 398.846 3.698 20 10 GHCDMM CCO[C@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775633887 872151314 /nfs/dbraw/zinc/15/13/14/872151314.db2.gz MSAXSCKSWIMQJP-LBPRGKRZSA-N -1 1 393.119 3.918 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Br)c(Cl)cc1F ZINC001195436430 872419733 /nfs/dbraw/zinc/41/97/33/872419733.db2.gz WTIJFUSLQPXORG-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1ccc(F)cc1Br ZINC000182495145 872434298 /nfs/dbraw/zinc/43/42/98/872434298.db2.gz DPQJPOKUKWVOLB-UHFFFAOYSA-N -1 1 380.622 3.748 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000775690709 872940173 /nfs/dbraw/zinc/94/01/73/872940173.db2.gz XBLQWIANPJAZIX-GOSISDBHSA-N -1 1 381.303 3.550 20 10 GHCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000768198809 873136263 /nfs/dbraw/zinc/13/62/63/873136263.db2.gz KBHKMHGPQZHPCD-ZDUSSCGKSA-N -1 1 380.366 3.532 20 10 GHCDMM O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1nc(Cl)ccc1F ZINC000760178958 883067728 /nfs/dbraw/zinc/06/77/28/883067728.db2.gz YRSYRMJCOMMMBH-ZDUSSCGKSA-N -1 1 398.265 3.628 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(Cc3cccc4ccccc43)no2)c1 ZINC000761568864 879305449 /nfs/dbraw/zinc/30/54/49/879305449.db2.gz FLNIFQKAWIOGAD-UHFFFAOYSA-N -1 1 395.440 3.558 20 10 GHCDMM CCN(CCOc1ccc(Br)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000790071229 879414974 /nfs/dbraw/zinc/41/49/74/879414974.db2.gz RLEMZQRQXYZDSU-UHFFFAOYSA-N -1 1 398.228 3.541 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ncsc1C(F)(F)F ZINC000792484897 881140056 /nfs/dbraw/zinc/14/00/56/881140056.db2.gz XDQMSZDYRIDYKO-UHFFFAOYSA-N -1 1 381.173 3.560 20 10 GHCDMM C[C@H](c1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1)C1CC1 ZINC000762365863 886084097 /nfs/dbraw/zinc/08/40/97/886084097.db2.gz XARMYUNAMDGKQT-JTQLQIEISA-N -1 1 391.474 3.818 20 10 GHCDMM CC[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cccc(Cl)c1[O-] ZINC000287144744 913139298 /nfs/dbraw/zinc/13/92/98/913139298.db2.gz SJQJJKUKWKIHCB-MRXNPFEDSA-N -1 1 386.887 3.781 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000809768484 887757134 /nfs/dbraw/zinc/75/71/34/887757134.db2.gz MZVYPBPVUCXMMD-SWLSCSKDSA-N -1 1 394.880 3.955 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cccnc3N3CCCC3)c([O-])cc21 ZINC001184968561 913553040 /nfs/dbraw/zinc/55/30/40/913553040.db2.gz PXUDGOPHDGKOGY-UHFFFAOYSA-N -1 1 385.423 3.906 20 10 GHCDMM O=C(c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1)N1CCSCC1 ZINC000816525598 894925508 /nfs/dbraw/zinc/92/55/08/894925508.db2.gz AORHAEDXXHMXRB-UHFFFAOYSA-N -1 1 380.872 3.986 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(N2CCC(O)CC2)cc1 ZINC000882908366 897093426 /nfs/dbraw/zinc/09/34/26/897093426.db2.gz OCGNBUARCQOUKU-UHFFFAOYSA-N -1 1 395.272 3.867 20 10 GHCDMM COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc([O-])cn2)cc1 ZINC001144711140 902682847 /nfs/dbraw/zinc/68/28/47/902682847.db2.gz IEKQVMVENKMGNV-UHFFFAOYSA-N -1 1 377.444 3.709 20 10 GHCDMM Cc1c(CNC(=O)OC(C)(C)C)c(NCc2cc(Cl)c(F)cc2[O-])nn1C ZINC000826686469 904933291 /nfs/dbraw/zinc/93/32/91/904933291.db2.gz MRCCTADNYTWANT-UHFFFAOYSA-N -1 1 398.866 3.863 20 10 GHCDMM COc1cccc(OC)c1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001173924060 906741199 /nfs/dbraw/zinc/74/11/99/906741199.db2.gz CCCINTVIYJAYQY-UHFFFAOYSA-N -1 1 375.380 3.928 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn([C@@H]4CCCCO4)c3)c([O-])cc21 ZINC001174609633 907133820 /nfs/dbraw/zinc/13/38/20/907133820.db2.gz DELHIOSBOFIPEU-FQEVSTJZSA-N -1 1 389.411 3.807 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000773492840 907516317 /nfs/dbraw/zinc/51/63/17/907516317.db2.gz OFZVHDKDOLAFRK-UHFFFAOYSA-N -1 1 380.448 3.511 20 10 GHCDMM O=C(CCCc1ccc2c(c1)OCCCO2)NCc1cccc(Cl)c1[O-] ZINC001180410440 910151529 /nfs/dbraw/zinc/15/15/29/910151529.db2.gz QAFVMISZXKOEAC-UHFFFAOYSA-N -1 1 375.852 3.846 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C)n1-c1ccccc1C ZINC000774218525 911532647 /nfs/dbraw/zinc/53/26/47/911532647.db2.gz VBQYDQPTFIUZJP-MRXNPFEDSA-N -1 1 380.448 3.511 20 10 GHCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1Cl)c1c(Cl)nc2sccn21 ZINC001187137107 915049444 /nfs/dbraw/zinc/04/94/44/915049444.db2.gz YWLSFUMTSDMQAM-UHFFFAOYSA-N -1 1 398.680 3.862 20 10 GHCDMM Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000775148035 915568208 /nfs/dbraw/zinc/56/82/08/915568208.db2.gz WRINMSMUBYUKRA-QMTHXVAHSA-N -1 1 382.220 3.598 20 10 GHCDMM CC(C)(C)Sc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000726800379 926859016 /nfs/dbraw/zinc/85/90/16/926859016.db2.gz FZGDERAMCVIKTM-UHFFFAOYSA-N -1 1 394.518 3.907 20 10 GHCDMM COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781907091 931023285 /nfs/dbraw/zinc/02/32/85/931023285.db2.gz CWMGUYKEILQPQI-MRXNPFEDSA-N -1 1 378.266 3.809 20 10 GHCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000783903750 931711179 /nfs/dbraw/zinc/71/11/79/931711179.db2.gz SVMCWBVCOJCRTM-YRNVUSSQSA-N -1 1 380.318 3.946 20 10 GHCDMM CO[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@H](C)C1 ZINC000799738028 933105907 /nfs/dbraw/zinc/10/59/07/933105907.db2.gz RADDCKLJYHTKBL-BXKDBHETSA-N -1 1 393.119 3.917 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203567683 1027439494 /nfs/dbraw/zinc/43/94/94/1027439494.db2.gz YOCVRXWWOIFDDC-VIRWGQHYSA-N -1 1 379.067 3.850 20 10 GHCDMM COc1cc(CN(CC(=O)[O-])Cc2c(O)ccc3ccccc32)cc(OC)c1 ZINC001599406025 997302944 /nfs/dbraw/zinc/30/29/44/997302944.db2.gz RGJTYZWTPZPHNI-UHFFFAOYSA-N -1 1 381.428 3.649 20 10 GHCDMM O=C(NCc1cccc(-c2cccs2)c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234659 1032465156 /nfs/dbraw/zinc/46/51/56/1032465156.db2.gz RGAMTWJZGYXCQK-UHFFFAOYSA-N -1 1 393.420 3.863 20 10 GHCDMM CC(C)Oc1cncc(COc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001227576526 1032469029 /nfs/dbraw/zinc/46/90/29/1032469029.db2.gz BLIGPZBQTDTBPZ-UHFFFAOYSA-N -1 1 389.407 3.929 20 10 GHCDMM Cc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1C(=O)N1CCCC1 ZINC000929643804 1017718096 /nfs/dbraw/zinc/71/80/96/1017718096.db2.gz IRYXDRIAOGVPGR-UHFFFAOYSA-N -1 1 387.867 3.912 20 10 GHCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O[C@H]3C[C@H]4C=C[C@@H]3C4)c21 ZINC001228188995 1032831010 /nfs/dbraw/zinc/83/10/10/1032831010.db2.gz CTTWTFUTLNJZLC-KHGIDLIESA-N -1 1 380.396 3.853 20 10 GHCDMM CCCOC[C@@H](C)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228190187 1032831140 /nfs/dbraw/zinc/83/11/40/1032831140.db2.gz GCDZUTVFKRYJFL-KZULUSFZSA-N -1 1 388.416 3.704 20 10 GHCDMM Cc1cccc(NC(=O)NC2CCN(Cc3c([O-])cc(F)cc3F)CC2)c1 ZINC001140585354 1022009270 /nfs/dbraw/zinc/00/92/70/1022009270.db2.gz GLYFXCYDGKNVQU-UHFFFAOYSA-N -1 1 375.419 3.765 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000836486466 1023024012 /nfs/dbraw/zinc/02/40/12/1023024012.db2.gz WJKVBDBHEMNHGS-GJZGRUSLSA-N -1 1 375.266 3.758 20 10 GHCDMM C[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CC1(Cl)Cl ZINC000836592743 1023154770 /nfs/dbraw/zinc/15/47/70/1023154770.db2.gz MJDPKIBUSHVCMM-GFCCVEGCSA-N -1 1 382.085 3.538 20 10 GHCDMM CCCn1ncc(NC(=O)NCc2cccc(Br)c2[O-])c1C1CC1 ZINC000836712703 1023291938 /nfs/dbraw/zinc/29/19/38/1023291938.db2.gz ASSOXQFEGFLEAG-UHFFFAOYSA-N -1 1 393.285 3.960 20 10 GHCDMM C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756450961 1023657866 /nfs/dbraw/zinc/65/78/66/1023657866.db2.gz WVFTWHFQLRNWDZ-CQSZACIVSA-N -1 1 378.432 3.826 20 10 GHCDMM C[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756851799 1023835370 /nfs/dbraw/zinc/83/53/70/1023835370.db2.gz VHQZSMDUGCOAKR-VXGBXAGGSA-N -1 1 387.390 3.635 20 10 GHCDMM O=C(COC(=O)c1c(F)ccc(SCC2CC2)c1F)c1ccc([O-])c(O)c1 ZINC000838145352 1024944927 /nfs/dbraw/zinc/94/49/27/1024944927.db2.gz DJMVFFLHWGWJJN-UHFFFAOYSA-N -1 1 394.395 3.918 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cncc(N4CCCC4)c3)c([O-])cc21 ZINC001210610154 1027573577 /nfs/dbraw/zinc/57/35/77/1027573577.db2.gz VUNANDZZCUXGSF-UHFFFAOYSA-N -1 1 385.423 3.906 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnc(C(F)(F)F)nc3)c([O-])cc21 ZINC001210672103 1027598940 /nfs/dbraw/zinc/59/89/40/1027598940.db2.gz ZQRSEGGRDNVHCC-UHFFFAOYSA-N -1 1 385.301 3.720 20 10 GHCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000840917218 1027954438 /nfs/dbraw/zinc/95/44/38/1027954438.db2.gz HJGMAKHGMFDWKG-UHFFFAOYSA-N -1 1 375.368 3.667 20 10 GHCDMM Cc1cc(C(=O)N2CCOCC2)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000840951826 1027981719 /nfs/dbraw/zinc/98/17/19/1027981719.db2.gz CFXVWXSFVPFNHX-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)CCOC2 ZINC001219489470 1031455097 /nfs/dbraw/zinc/45/50/97/1031455097.db2.gz FEHXLDOXSWAAAE-UHFFFAOYSA-N -1 1 377.238 3.549 20 10 GHCDMM O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277387628 1033484117 /nfs/dbraw/zinc/48/41/17/1033484117.db2.gz MROICDNWXOIJSZ-HXUWFJFHSA-N -1 1 380.891 3.942 20 10 GHCDMM Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041696 1034397079 /nfs/dbraw/zinc/39/70/79/1034397079.db2.gz YODHWBQXYBDCPS-UHFFFAOYSA-N -1 1 394.855 3.902 20 10 GHCDMM Cc1ccc(-c2nc3ccccc3c(NCC(=O)c3ccc([O-])c(O)c3)n2)s1 ZINC001159280548 1034520362 /nfs/dbraw/zinc/52/03/62/1034520362.db2.gz XFKRLWAJZYBLDI-UHFFFAOYSA-N -1 1 391.452 3.795 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001161850389 1035314964 /nfs/dbraw/zinc/31/49/64/1035314964.db2.gz ZPTOPDXLHWIHJJ-GFCCVEGCSA-N -1 1 378.831 3.855 20 10 GHCDMM COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c(O)c1I ZINC001248489000 1035910837 /nfs/dbraw/zinc/91/08/37/1035910837.db2.gz CDUFXGXXDQANPW-GHMZBOCLSA-N -1 1 375.250 3.626 20 10 GHCDMM CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)C[C@H]1C ZINC001233033438 1038787248 /nfs/dbraw/zinc/78/72/48/1038787248.db2.gz OBCCAEFYLPIDNN-NEPJUHHUSA-N -1 1 388.277 3.705 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001233033317 1038788838 /nfs/dbraw/zinc/78/88/38/1038788838.db2.gz KDTOZNIMGYJWTM-CQSZACIVSA-N -1 1 381.245 3.732 20 10 GHCDMM O=C1CC2(CCN(Cc3ccc(F)c(F)c3[O-])CC2)Oc2ccc(F)cc21 ZINC001233079207 1038845715 /nfs/dbraw/zinc/84/57/15/1038845715.db2.gz ZIFIPRADLHEDIT-UHFFFAOYSA-N -1 1 377.362 3.810 20 10 GHCDMM CC(C)OCc1nn(CC2CC2)c2c1CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333304 1039133314 /nfs/dbraw/zinc/13/33/14/1039133314.db2.gz RBLLYXIGDODCGX-UHFFFAOYSA-N -1 1 391.462 3.760 20 10 GHCDMM CC(C)COC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2ncn(C)c21 ZINC001233416418 1039271766 /nfs/dbraw/zinc/27/17/66/1039271766.db2.gz HJVCDGXXCSOVCA-OAHLLOKOSA-N -1 1 397.441 3.917 20 10 GHCDMM CCCS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccc1 ZINC001253698692 1039771042 /nfs/dbraw/zinc/77/10/42/1039771042.db2.gz QJFPYIHVCTYHAK-UHFFFAOYSA-N -1 1 382.279 3.832 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CO[C@]2(C[C@@H](C)CC[C@H]2C(C)C)O1 ZINC001234473855 1040057153 /nfs/dbraw/zinc/05/71/53/1040057153.db2.gz KTSUVLQPSMGMOA-DFIRMOIBSA-N -1 1 378.465 3.883 20 10 GHCDMM CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC001235063857 1040551841 /nfs/dbraw/zinc/55/18/41/1040551841.db2.gz BSFRJOJSRLKDLO-SFHVURJKSA-N -1 1 399.304 3.517 20 10 GHCDMM O=C(NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1)C1CCCC1 ZINC001235065779 1040554137 /nfs/dbraw/zinc/55/41/37/1040554137.db2.gz SGRZPCBYKPLSFQ-UHFFFAOYSA-N -1 1 399.304 3.565 20 10 GHCDMM C[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCOC2(CCC2)C1 ZINC001255607754 1041163335 /nfs/dbraw/zinc/16/33/35/1041163335.db2.gz GQUUOASRYCOOGX-QGZVFWFLSA-N -1 1 397.313 3.693 20 10 GHCDMM Cn1nc(COCC2CC2)c2c1CCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236793782 1041897751 /nfs/dbraw/zinc/89/77/51/1041897751.db2.gz PZTXABKVCBWYAM-UHFFFAOYSA-N -1 1 396.318 3.917 20 10 GHCDMM CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cc(Br)cc1F ZINC001278045235 1042006042 /nfs/dbraw/zinc/00/60/42/1042006042.db2.gz MDJJVNGPQIYFSH-HZPDHXFCSA-N -1 1 399.304 3.659 20 10 GHCDMM CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cc(OC)cc1Br ZINC001237069072 1042019717 /nfs/dbraw/zinc/01/97/17/1042019717.db2.gz YAQRCGKRDKJJTA-UHFFFAOYSA-N -1 1 394.265 3.914 20 10 GHCDMM C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237120379 1042048702 /nfs/dbraw/zinc/04/87/02/1042048702.db2.gz DHJRHWKNBWUFDI-GFCCVEGCSA-N -1 1 379.863 3.885 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCc2nc(Br)sc2C1 ZINC001237127042 1042054535 /nfs/dbraw/zinc/05/45/35/1042054535.db2.gz SOGWOJNVFXMHFZ-UHFFFAOYSA-N -1 1 377.666 3.962 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCc2onc(COc3ccccn3)c2C1 ZINC001237126001 1042054168 /nfs/dbraw/zinc/05/41/68/1042054168.db2.gz YDTLULHCHQZWFN-UHFFFAOYSA-N -1 1 389.814 3.705 20 10 GHCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237801832 1042377492 /nfs/dbraw/zinc/37/74/92/1042377492.db2.gz IVFIMNDOYYDYAF-LLVKDONJSA-N -1 1 391.752 3.647 20 10 GHCDMM COc1ccc(CS(=O)(=O)[N-]c2cccc3c2C(=O)c2ccccc2-3)cc1 ZINC001259900431 1045331839 /nfs/dbraw/zinc/33/18/39/1045331839.db2.gz VNQMJFIOUXHOPV-UHFFFAOYSA-N -1 1 379.437 3.849 20 10 GHCDMM O=S(=O)([N-]c1cc(F)c(Cl)cc1Cl)c1cccc2nsnc21 ZINC001260388005 1045486275 /nfs/dbraw/zinc/48/62/75/1045486275.db2.gz KPKBBOWDSPZNPR-UHFFFAOYSA-N -1 1 378.237 3.938 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(O)cc1O)c1ccc(Cl)c(Cl)c1Cl ZINC001260433568 1045494125 /nfs/dbraw/zinc/49/41/25/1045494125.db2.gz AKBYCNUZFPUHQQ-UHFFFAOYSA-N -1 1 382.652 3.537 20 10 GHCDMM CCN(C(=O)c1[nH]nc2c1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2)C(C)C ZINC001279976018 1048022504 /nfs/dbraw/zinc/02/25/04/1048022504.db2.gz LCVVMDXEIRAFGJ-UHFFFAOYSA-N -1 1 397.306 3.808 20 10 GHCDMM O=C1CC[C@H](c2ccccc2NCc2cc(Br)cc(F)c2[O-])N1 ZINC001308923666 1050176020 /nfs/dbraw/zinc/17/60/20/1050176020.db2.gz WUHZCIQKWXNSCP-OAHLLOKOSA-N -1 1 379.229 3.857 20 10 GHCDMM COc1cc(C(F)(F)F)ncc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001310676834 1051525558 /nfs/dbraw/zinc/52/55/58/1051525558.db2.gz TVDCRVFYUJNHEW-UHFFFAOYSA-N -1 1 375.734 3.790 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC001335415678 1052095084 /nfs/dbraw/zinc/09/50/84/1052095084.db2.gz BVYHNZPAFPXTNJ-LBPRGKRZSA-N -1 1 387.867 3.955 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](CF)c1ccc(F)cc1 ZINC001313185664 1052980344 /nfs/dbraw/zinc/98/03/44/1052980344.db2.gz SJECCCYPPLCEJV-CQSZACIVSA-N -1 1 385.208 3.804 20 10 GHCDMM CCOc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC001319831691 1055495330 /nfs/dbraw/zinc/49/53/30/1055495330.db2.gz GRRSDGYTXYRBRM-UHFFFAOYSA-N -1 1 376.456 3.907 20 10 GHCDMM CC(C)(C)OCc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001337949985 1058340583 /nfs/dbraw/zinc/34/05/83/1058340583.db2.gz AUWLFLMVTFPYEK-UHFFFAOYSA-N -1 1 390.867 3.616 20 10 GHCDMM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC001457659584 1063298974 /nfs/dbraw/zinc/29/89/74/1063298974.db2.gz NMKXHGIYVNNNOY-LBPRGKRZSA-N -1 1 393.842 3.994 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(Br)cn1 ZINC001470033285 1068534456 /nfs/dbraw/zinc/53/44/56/1068534456.db2.gz PUSICPVBMFYJSX-SECBINFHSA-N -1 1 384.661 3.764 20 10 GHCDMM CCN(CC)c1ccc(CN(C)C(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001471433890 1073071737 /nfs/dbraw/zinc/07/17/37/1073071737.db2.gz PQVUIQWYTJZLLH-UHFFFAOYSA-N -1 1 391.462 3.901 20 10 GHCDMM Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3[O-])CCC2=O)cc1C ZINC001472316912 1073418140 /nfs/dbraw/zinc/41/81/40/1073418140.db2.gz MSUUEADMAFJHGG-INIZCTEOSA-N -1 1 386.879 3.722 20 10 GHCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)cc1C ZINC000822241459 606394054 /nfs/dbraw/zinc/39/40/54/606394054.db2.gz XHSZIPADZCHTSJ-ZSOIEALJSA-N -1 1 399.526 3.951 20 10 GHCDMM CC(C)(C)OC(=O)N1CCC=C(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890763553 836747784 /nfs/dbraw/zinc/74/77/84/836747784.db2.gz YFOLIDSGPMHKHL-UHFFFAOYSA-N -1 1 380.872 3.619 20 10 GHCDMM CCOC(=O)CN(Cc1ccc(F)cc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001167261703 837090490 /nfs/dbraw/zinc/09/04/90/837090490.db2.gz HFQPMUURIWZZRV-UHFFFAOYSA-N -1 1 393.842 3.953 20 10 GHCDMM COc1ccc(-n2c(C)cc(C(=O)NCc3n[n-]c(=S)n3C(C)C)c2C)cc1 ZINC000067071880 844269501 /nfs/dbraw/zinc/26/95/01/844269501.db2.gz LQOOLFVZCNSGME-UHFFFAOYSA-N -1 1 399.520 3.868 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nc([C@@H](C)OCC(C)C)no2)c1[O-] ZINC000177361450 837933678 /nfs/dbraw/zinc/93/36/78/837933678.db2.gz MKPNOWNDIVVKAX-CYBMUJFWSA-N -1 1 395.887 3.997 20 10 GHCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000176259104 844813800 /nfs/dbraw/zinc/81/38/00/844813800.db2.gz QNNAVZUWOOTHTB-UHFFFAOYSA-N -1 1 396.535 3.542 20 10 GHCDMM O=C(CCc1nc2cc(Cl)ccc2s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783543483 862392907 /nfs/dbraw/zinc/39/29/07/862392907.db2.gz RTWLYRMFCCDIOT-UHFFFAOYSA-N -1 1 391.832 3.720 20 10 GHCDMM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895073776 855464994 /nfs/dbraw/zinc/46/49/94/855464994.db2.gz MBGDTKFXHLNOKM-LBPRGKRZSA-N -1 1 385.892 3.538 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1COc2ccc(Cl)cc2C1 ZINC000765754699 856074221 /nfs/dbraw/zinc/07/42/21/856074221.db2.gz VXLFCRALAFUYFP-LBPRGKRZSA-N -1 1 396.668 3.676 20 10 GHCDMM O=C(NCCCCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000764756449 859593074 /nfs/dbraw/zinc/59/30/74/859593074.db2.gz DLJNIIPJMVPZDI-UHFFFAOYSA-N -1 1 377.282 3.977 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCc2cc(F)ccc21 ZINC000764765298 859600034 /nfs/dbraw/zinc/60/00/34/859600034.db2.gz BIJCDMKEEOIQBS-HNNXBMFYSA-N -1 1 379.229 3.781 20 10 GHCDMM Cc1ccc(C[C@H](C)NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000764781810 859602069 /nfs/dbraw/zinc/60/20/69/859602069.db2.gz CGAFERKPUUVYIR-JTQLQIEISA-N -1 1 383.311 3.955 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCc2ccccc21 ZINC000765498575 860009983 /nfs/dbraw/zinc/00/99/83/860009983.db2.gz MTEXEGPCUYEJJI-CYBMUJFWSA-N -1 1 375.266 3.684 20 10 GHCDMM CC(C)c1noc2ncc(C(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000765736571 860533280 /nfs/dbraw/zinc/53/32/80/860533280.db2.gz OXNFOCPYAIKAHJ-UHFFFAOYSA-N -1 1 390.237 3.744 20 10 GHCDMM CC[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccc(OC)cc1 ZINC000765750506 860563344 /nfs/dbraw/zinc/56/33/44/860563344.db2.gz HLOURDBHFGOCFY-OAHLLOKOSA-N -1 1 378.266 3.973 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)c(F)c(F)c1F ZINC000765752968 860567295 /nfs/dbraw/zinc/56/72/95/860567295.db2.gz KSBQJTCSQQEUET-UHFFFAOYSA-N -1 1 378.119 3.641 20 10 GHCDMM Cc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1Cl ZINC000766199889 863850380 /nfs/dbraw/zinc/85/03/80/863850380.db2.gz KNOIPQOXYZKKDQ-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccc2ccccc21 ZINC000766201758 863856876 /nfs/dbraw/zinc/85/68/76/863856876.db2.gz USSBJPYUWAACMT-UHFFFAOYSA-N -1 1 392.274 3.786 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1[O-] ZINC000738095635 865484307 /nfs/dbraw/zinc/48/43/07/865484307.db2.gz BCBYCMIOAHEQEF-IBGZPJMESA-N -1 1 394.515 3.779 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]2CN2CCCCC2)c1[O-] ZINC000738095635 865484315 /nfs/dbraw/zinc/48/43/15/865484315.db2.gz BCBYCMIOAHEQEF-IBGZPJMESA-N -1 1 394.515 3.779 20 10 GHCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)c1 ZINC000740603979 865967621 /nfs/dbraw/zinc/96/76/21/865967621.db2.gz CJTWSDLWPCQFBQ-UHFFFAOYSA-N -1 1 388.489 3.510 20 10 GHCDMM CCOC(=O)c1sc(NC(=O)c2ccc(O)c([O-])c2Cl)nc1C1CC1 ZINC001193220026 870951760 /nfs/dbraw/zinc/95/17/60/870951760.db2.gz PKMUQTHLKJMLPS-UHFFFAOYSA-N -1 1 382.825 3.514 20 10 GHCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001193232140 870960988 /nfs/dbraw/zinc/96/09/88/870960988.db2.gz FKDPTVARGMZZGD-CHWSQXEVSA-N -1 1 398.887 3.659 20 10 GHCDMM O=C(Nc1cc(Br)cc2n[nH]cc21)c1ccc(O)c([O-])c1Cl ZINC001193229739 870990671 /nfs/dbraw/zinc/99/06/71/870990671.db2.gz LNKMCXXYRGCVBY-UHFFFAOYSA-N -1 1 382.601 3.642 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cc(F)cc(Br)c1 ZINC001193795628 871309899 /nfs/dbraw/zinc/30/98/99/871309899.db2.gz LHFAEOCWIMTQLO-UHFFFAOYSA-N -1 1 380.622 3.748 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000775690713 872940334 /nfs/dbraw/zinc/94/03/34/872940334.db2.gz XBLQWIANPJAZIX-SFHVURJKSA-N -1 1 381.303 3.550 20 10 GHCDMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC001196454758 873139934 /nfs/dbraw/zinc/13/99/34/873139934.db2.gz QYOISKMNKOXYME-UHFFFAOYSA-N -1 1 392.433 3.563 20 10 GHCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)c([O-])c1 ZINC000179497027 877656486 /nfs/dbraw/zinc/65/64/86/877656486.db2.gz GEGRCMCDMXPDKT-UHFFFAOYSA-N -1 1 375.266 3.685 20 10 GHCDMM [O-]c1c(Br)cccc1CNC(=S)NCCc1ccc(F)cc1 ZINC000789311653 878829851 /nfs/dbraw/zinc/82/98/51/878829851.db2.gz IVSVKJJQRNRDML-UHFFFAOYSA-N -1 1 383.286 3.501 20 10 GHCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000790069790 879413431 /nfs/dbraw/zinc/41/34/31/879413431.db2.gz UMBKUYOYAABVCI-CYBMUJFWSA-N -1 1 394.402 3.980 20 10 GHCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000790409048 879686069 /nfs/dbraw/zinc/68/60/69/879686069.db2.gz LJWYYFMVVPIKGZ-UHFFFAOYSA-N -1 1 391.367 3.533 20 10 GHCDMM CC(C)N(C)S(=O)(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000863991553 887507679 /nfs/dbraw/zinc/50/76/79/887507679.db2.gz GZKUAKAAYWOGHE-UHFFFAOYSA-N -1 1 386.876 3.826 20 10 GHCDMM CC(C)(C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000809682474 887701724 /nfs/dbraw/zinc/70/17/24/887701724.db2.gz QKDQVWBMZGYGKM-UHFFFAOYSA-N -1 1 386.876 3.874 20 10 GHCDMM CC(=O)N1CCN(c2ccc(N[C@H](C)c3cc(F)cc(F)c3[O-])cc2)CC1 ZINC000866625284 888974564 /nfs/dbraw/zinc/97/45/64/888974564.db2.gz BFNLRKROONZCJD-CYBMUJFWSA-N -1 1 375.419 3.512 20 10 GHCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)ccc1O ZINC000811704944 889879654 /nfs/dbraw/zinc/87/96/54/889879654.db2.gz MCRNAJSQCHYZER-UHFFFAOYSA-N -1 1 390.436 3.805 20 10 GHCDMM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000825574692 891149244 /nfs/dbraw/zinc/14/92/44/891149244.db2.gz ACSVDZIGRXXABD-UHFFFAOYSA-N -1 1 386.423 3.686 20 10 GHCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000816495884 894863034 /nfs/dbraw/zinc/86/30/34/894863034.db2.gz NFEUXABPBWUQNA-UHFFFAOYSA-N -1 1 393.237 3.657 20 10 GHCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1C(=O)N1CCOCC1 ZINC000816523197 894921030 /nfs/dbraw/zinc/92/10/30/894921030.db2.gz HGEXIENTLUIWPA-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1N1C(=O)N[C@H](C)C1=O ZINC000816612913 894974722 /nfs/dbraw/zinc/97/47/22/894974722.db2.gz AYAJHUPMMNRMBS-SNVBAGLBSA-N -1 1 377.803 3.550 20 10 GHCDMM Cc1ccc(-n2cnnc2SCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000023588395 895355227 /nfs/dbraw/zinc/35/52/27/895355227.db2.gz XCCCVMHSKQXVAJ-UHFFFAOYSA-N -1 1 375.837 3.615 20 10 GHCDMM O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2cccc(F)c2[O-])N1 ZINC000778525264 896169830 /nfs/dbraw/zinc/16/98/30/896169830.db2.gz LDCXBJDLQXCMHB-QHCPKHFHSA-N -1 1 392.430 3.741 20 10 GHCDMM O=[S@](Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1)C1CCOCC1 ZINC000883065549 897245147 /nfs/dbraw/zinc/24/51/47/897245147.db2.gz OMECOJQXPHJRRV-AREMUKBSSA-N -1 1 381.444 3.710 20 10 GHCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1F ZINC001186179543 914345952 /nfs/dbraw/zinc/34/59/52/914345952.db2.gz UZNSIHQBDAUYFS-UHFFFAOYSA-N -1 1 399.399 3.556 20 10 GHCDMM C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092585600 901500130 /nfs/dbraw/zinc/50/01/30/901500130.db2.gz KBTYVGZQAHNCNW-SNVBAGLBSA-N -1 1 389.304 3.539 20 10 GHCDMM O=C(CCc1ccc(-c2ccccc2)cc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180942339 910445712 /nfs/dbraw/zinc/44/57/12/910445712.db2.gz FVXAXPRYJIEKEJ-UHFFFAOYSA-N -1 1 375.424 3.697 20 10 GHCDMM O=C(c1ccccc1)c1ccc(Br)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188138501 915777061 /nfs/dbraw/zinc/77/70/61/915777061.db2.gz CSFHGJMZISVPRR-UHFFFAOYSA-N -1 1 394.290 3.974 20 10 GHCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2ccccc2c1[O-] ZINC000098093773 916191544 /nfs/dbraw/zinc/19/15/44/916191544.db2.gz NAYBAYYEUHTUQX-UHFFFAOYSA-N -1 1 390.483 3.684 20 10 GHCDMM COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1-n1nnnc1C1CC1 ZINC000757615838 929745522 /nfs/dbraw/zinc/74/55/22/929745522.db2.gz ZFWUUNJNLLRAAT-JTQLQIEISA-N -1 1 387.390 3.705 20 10 GHCDMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1C ZINC000758162372 929954251 /nfs/dbraw/zinc/95/42/51/929954251.db2.gz KYCPJPHXYZDEOI-UHFFFAOYSA-N -1 1 390.244 3.595 20 10 GHCDMM O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc([O-])c(O)c1 ZINC000782605104 931281561 /nfs/dbraw/zinc/28/15/61/931281561.db2.gz NXLOFUHLYVBNJG-UHFFFAOYSA-N -1 1 382.393 3.758 20 10 GHCDMM O=C(COC(=O)c1cccc(OCc2cccs2)c1)c1ccc([O-])c(O)c1 ZINC000782844875 931351412 /nfs/dbraw/zinc/35/14/12/931351412.db2.gz ZUAOTILXLJGZDK-UHFFFAOYSA-N -1 1 384.409 3.778 20 10 GHCDMM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782872798 931356824 /nfs/dbraw/zinc/35/68/24/931356824.db2.gz VRJZKHYUBLUALP-SECBINFHSA-N -1 1 385.199 3.598 20 10 GHCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Br)cc1 ZINC000782932878 931368442 /nfs/dbraw/zinc/36/84/42/931368442.db2.gz JYTFENPHGSCITM-UHFFFAOYSA-N -1 1 393.233 3.564 20 10 GHCDMM O=C(COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783437515 931545723 /nfs/dbraw/zinc/54/57/23/931545723.db2.gz NAJDHLNLWNLCKK-NEPJUHHUSA-N -1 1 381.211 3.934 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc([O-])c(O)c1 ZINC000783819841 931667401 /nfs/dbraw/zinc/66/74/01/931667401.db2.gz AJQYDTHPEGDSLR-QWHCGFSZSA-N -1 1 396.317 3.526 20 10 GHCDMM Cc1ccc([C@@H](NCc2cc(Cl)cc(F)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000798088670 932525103 /nfs/dbraw/zinc/52/51/03/932525103.db2.gz RODWQHRQHZZLGY-SJCJKPOMSA-N -1 1 385.888 3.757 20 10 GHCDMM C[C@H](c1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1)N1CCOCC1 ZINC000930228007 933907630 /nfs/dbraw/zinc/90/76/30/933907630.db2.gz KWKYXEONVMRBHU-CQSZACIVSA-N -1 1 389.883 3.761 20 10 GHCDMM C[C@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)C12CC3CC(CC(C3)C1)C2 ZINC001155232702 1032465299 /nfs/dbraw/zinc/46/52/99/1032465299.db2.gz VOONBLDVFXEWDB-VAWJCMALSA-N -1 1 383.444 3.539 20 10 GHCDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227576608 1032469215 /nfs/dbraw/zinc/46/92/15/1032469215.db2.gz CELMJRDMAWZIOZ-KGLIPLIRSA-N -1 1 394.423 3.668 20 10 GHCDMM Cc1nc([C@@H]2CCCN(Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC001141367824 1024741652 /nfs/dbraw/zinc/74/16/52/1024741652.db2.gz RUJZTEWPERYHCY-SNVBAGLBSA-N -1 1 386.677 3.879 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001141374809 1024767930 /nfs/dbraw/zinc/76/79/30/1024767930.db2.gz PXMNCZSJDGUTKZ-AOOOYVTPSA-N -1 1 382.632 3.522 20 10 GHCDMM C[C@H](CCCc1cccnc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000838749403 1025344840 /nfs/dbraw/zinc/34/48/40/1025344840.db2.gz OYRFESONOGSLDG-CYBMUJFWSA-N -1 1 392.297 3.760 20 10 GHCDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC001139975288 1026772244 /nfs/dbraw/zinc/77/22/44/1026772244.db2.gz ZGGNFSWCACQHGP-UHFFFAOYSA-N -1 1 379.210 3.610 20 10 GHCDMM C[C@@H]1CC[C@H](CO)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC001203565275 1027436373 /nfs/dbraw/zinc/43/63/73/1027436373.db2.gz YRMIIYUICCNRHO-ZJUUUORDSA-N -1 1 393.119 3.510 20 10 GHCDMM CC(C)(C)c1ccncc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000840412125 1027519217 /nfs/dbraw/zinc/51/92/17/1027519217.db2.gz VDQOEQREAWJAJX-UHFFFAOYSA-N -1 1 392.297 3.847 20 10 GHCDMM COC[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001142513158 1029017420 /nfs/dbraw/zinc/01/74/20/1029017420.db2.gz ZPFLHTOHRGWQDF-KRWDZBQOSA-N -1 1 391.462 3.803 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3cccc(Cl)c3F)no2)cc1CN1CCOCC1 ZINC001217055738 1030126869 /nfs/dbraw/zinc/12/68/69/1030126869.db2.gz YMDKLSGAIORSMH-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM COc1c(C)cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cc1C ZINC001217056191 1030128484 /nfs/dbraw/zinc/12/84/84/1030128484.db2.gz FZBXKDSGHIZVQM-UHFFFAOYSA-N -1 1 395.459 3.567 20 10 GHCDMM Cc1c(F)cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cc1F ZINC001217055999 1030129046 /nfs/dbraw/zinc/12/90/46/1030129046.db2.gz DKBSZUNJYXDNEP-UHFFFAOYSA-N -1 1 387.386 3.528 20 10 GHCDMM O=C(Nc1ccc2cc[nH]c2c1)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218945430 1031170608 /nfs/dbraw/zinc/17/06/08/1031170608.db2.gz JPRRBAYOLAQGIY-UHFFFAOYSA-N -1 1 398.374 3.607 20 10 GHCDMM CC[C@@H]1CCCC[C@H]1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785122 1033711790 /nfs/dbraw/zinc/71/17/90/1033711790.db2.gz DVHWIXASIUKQTH-PIGZYNQJSA-N -1 1 388.416 3.793 20 10 GHCDMM C[C@@H]1CC[C@H](C)[C@@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229787827 1033715016 /nfs/dbraw/zinc/71/50/16/1033715016.db2.gz XOYNQFVTQCZZNI-RLFDGXBXSA-N -1 1 388.416 3.649 20 10 GHCDMM O=C(CNC(F)(F)c1cnc(Cl)c(-c2ccco2)c1)c1ccc([O-])c(O)c1 ZINC001159280321 1034520794 /nfs/dbraw/zinc/52/07/94/1034520794.db2.gz KUILHDGYLUGCEG-UHFFFAOYSA-N -1 1 394.761 3.928 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001231912227 1034987051 /nfs/dbraw/zinc/98/70/51/1034987051.db2.gz XTDFODSDKRJJGJ-UHFFFAOYSA-N -1 1 380.879 3.858 20 10 GHCDMM CCOC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)C[C@H]1C ZINC001233033441 1038788032 /nfs/dbraw/zinc/78/80/32/1038788032.db2.gz OBCCAEFYLPIDNN-VXGBXAGGSA-N -1 1 388.277 3.705 20 10 GHCDMM C[C@@H]1[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC001252048368 1038830730 /nfs/dbraw/zinc/83/07/30/1038830730.db2.gz ZYRLPCMURKFZPH-IUODEOHRSA-N -1 1 397.903 3.633 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1C(F)(F)F ZINC001233336647 1039139265 /nfs/dbraw/zinc/13/92/65/1039139265.db2.gz USDIHNPYPGRAEY-ZDUSSCGKSA-N -1 1 396.356 3.654 20 10 GHCDMM Cc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)cc1 ZINC001233419221 1039279859 /nfs/dbraw/zinc/27/98/59/1039279859.db2.gz OAZONIKZQDLVLE-UHFFFAOYSA-N -1 1 378.394 3.677 20 10 GHCDMM CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235301395 1040776433 /nfs/dbraw/zinc/77/64/33/1040776433.db2.gz GYTBBIGIIAGWTL-NSHDSACASA-N -1 1 388.277 3.848 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1 ZINC001236663669 1041811342 /nfs/dbraw/zinc/81/13/42/1041811342.db2.gz OWUUGFSTZPPDAE-LSDHHAIUSA-N -1 1 397.313 3.657 20 10 GHCDMM CCOCc1cnc2n1CCN(Cc1cc(C)cc(Br)c1[O-])[C@H]2C ZINC001236666637 1041813074 /nfs/dbraw/zinc/81/30/74/1041813074.db2.gz PEAFWFABMSKOOL-ZDUSSCGKSA-N -1 1 394.313 3.773 20 10 GHCDMM Cn1cc2c(n1)CN(Cc1cc(Cl)c(Cl)cc1[O-])C[C@@H]2COCC1CC1 ZINC001236789795 1041895535 /nfs/dbraw/zinc/89/55/35/1041895535.db2.gz KACQKSDXRCBJTF-CQSZACIVSA-N -1 1 396.318 3.959 20 10 GHCDMM CCOc1ccc(N2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)cc1 ZINC001236806516 1041907248 /nfs/dbraw/zinc/90/72/48/1041907248.db2.gz AVUVHVPQYSFPLM-UHFFFAOYSA-N -1 1 376.884 3.775 20 10 GHCDMM C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001237784068 1042367016 /nfs/dbraw/zinc/36/70/16/1042367016.db2.gz PEUTYPBTNFUGOV-TVQRCGJNSA-N -1 1 382.220 3.766 20 10 GHCDMM C[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001237784917 1042368177 /nfs/dbraw/zinc/36/81/77/1042368177.db2.gz ZIRDZYOHGKHYJH-LKFCYVNXSA-N -1 1 382.220 3.766 20 10 GHCDMM CCOC(=O)Cc1ccc2c(c1)CN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237807924 1042379777 /nfs/dbraw/zinc/37/97/77/1042379777.db2.gz OFNMGADQNQWLOZ-UHFFFAOYSA-N -1 1 377.843 3.849 20 10 GHCDMM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)c1ccccc1F ZINC001237939330 1042429333 /nfs/dbraw/zinc/42/93/33/1042429333.db2.gz AUFMFIQYGYWDGV-CYBMUJFWSA-N -1 1 380.822 3.718 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccc1O ZINC001259231043 1045026018 /nfs/dbraw/zinc/02/60/18/1045026018.db2.gz UMJLNQNJINFWMN-UHFFFAOYSA-N -1 1 383.425 3.647 20 10 GHCDMM O=S(=O)([N-]c1c(Cl)cccc1C(F)(F)F)c1cccc2nonc21 ZINC001260441154 1045496144 /nfs/dbraw/zinc/49/61/44/1045496144.db2.gz RDASUOAQQUMEMY-UHFFFAOYSA-N -1 1 377.731 3.696 20 10 GHCDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(Cl)c1 ZINC001261072922 1045888602 /nfs/dbraw/zinc/88/86/02/1045888602.db2.gz IGJHVJJIIVJFMK-UHFFFAOYSA-N -1 1 386.216 3.533 20 10 GHCDMM Cc1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])ccc1Br ZINC001309940292 1051060076 /nfs/dbraw/zinc/06/00/76/1051060076.db2.gz HSNGLYOZUVHIKX-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1c(Cl)ccnc1F ZINC001346450769 1061570523 /nfs/dbraw/zinc/57/05/23/1061570523.db2.gz NVKQOBNLDBFFIU-ZDUSSCGKSA-N -1 1 398.265 3.628 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001346970990 1062018252 /nfs/dbraw/zinc/01/82/52/1062018252.db2.gz NMTMOJUPKSBEFV-JXFKEZNVSA-N -1 1 388.851 3.528 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001346970992 1062019231 /nfs/dbraw/zinc/01/92/31/1062019231.db2.gz NMTMOJUPKSBEFV-OXQOHEQNSA-N -1 1 388.851 3.528 20 10 GHCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])N1CCc2ccccc21 ZINC001467764991 1067458318 /nfs/dbraw/zinc/45/83/18/1067458318.db2.gz VKMXEPHGXLUWMK-CYBMUJFWSA-N -1 1 389.293 3.612 20 10 GHCDMM Cn1cc([C@@H](NC(=O)NCc2cccc(Cl)c2[O-])c2ccc(F)cc2)cn1 ZINC001478474494 1078882840 /nfs/dbraw/zinc/88/28/40/1078882840.db2.gz BTDOOLLDRBTUHB-KRWDZBQOSA-N -1 1 388.830 3.507 20 10 GHCDMM CCCCS(=O)(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001472316815 1073418111 /nfs/dbraw/zinc/41/81/11/1073418111.db2.gz IHOMQEONRWECKO-UHFFFAOYSA-N -1 1 381.881 3.549 20 10 GHCDMM O=S(=O)(c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1)N1CCCC1 ZINC001474166125 1074281473 /nfs/dbraw/zinc/28/14/73/1074281473.db2.gz TXTJZKZSYZLYJY-UHFFFAOYSA-N -1 1 384.860 3.581 20 10 GHCDMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001475774846 1075018876 /nfs/dbraw/zinc/01/88/76/1075018876.db2.gz SEODLGZGUJTOTP-UHFFFAOYSA-N -1 1 379.787 3.851 20 10 GHCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](c3ccccc3F)C2)c1O ZINC000740095639 600125299 /nfs/dbraw/zinc/12/52/99/600125299.db2.gz CYWSSIQIAQXFFV-FQEVSTJZSA-N -1 1 381.403 3.956 20 10 GHCDMM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000820705258 606393623 /nfs/dbraw/zinc/39/36/23/606393623.db2.gz SKCMZKFNEQHKPO-LXLDMJRISA-N -1 1 391.547 3.708 20 10 GHCDMM O=C(CCC(=O)NCc1cccc(Cl)c1[O-])CCC(=O)c1cccs1 ZINC000890758444 836690316 /nfs/dbraw/zinc/69/03/16/836690316.db2.gz YLCHDIUCJJNCHG-UHFFFAOYSA-N -1 1 379.865 3.736 20 10 GHCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000124803402 841016477 /nfs/dbraw/zinc/01/64/77/841016477.db2.gz VCZVXSQSOZWVGB-UHFFFAOYSA-N -1 1 396.535 3.638 20 10 GHCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])C(=O)c1cccc(F)c1 ZINC000765757602 856446497 /nfs/dbraw/zinc/44/64/97/856446497.db2.gz RPUPJUOXJVMUFS-NSHDSACASA-N -1 1 394.240 3.819 20 10 GHCDMM Cc1ccc(OCCCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765764066 856963479 /nfs/dbraw/zinc/96/34/79/856963479.db2.gz HAKUHPAZUBEEGR-UHFFFAOYSA-N -1 1 378.266 3.939 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000765769465 857650034 /nfs/dbraw/zinc/65/00/34/857650034.db2.gz MDEQDHAKDFDMIH-INIZCTEOSA-N -1 1 390.277 3.979 20 10 GHCDMM O=C(CNc1ccc(OC(F)(F)C(F)(F)F)cc1)c1ccc([O-])c(O)c1 ZINC001170322673 881358803 /nfs/dbraw/zinc/35/88/03/881358803.db2.gz LICDRIVVPBJHLD-UHFFFAOYSA-N -1 1 377.265 3.927 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000764766256 859594099 /nfs/dbraw/zinc/59/40/99/859594099.db2.gz GUALQIGJDUPKIZ-ZFWWWQNUSA-N -1 1 379.229 3.649 20 10 GHCDMM Cc1ccccc1OCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764782002 859601757 /nfs/dbraw/zinc/60/17/57/859601757.db2.gz YJFHVPZEVUYPNP-UHFFFAOYSA-N -1 1 393.281 3.731 20 10 GHCDMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764783213 859601964 /nfs/dbraw/zinc/60/19/64/859601964.db2.gz IEZIOMZKLHMTLT-QAPCUYQASA-N -1 1 375.266 3.684 20 10 GHCDMM CCOc1ccccc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764782170 859602077 /nfs/dbraw/zinc/60/20/77/859602077.db2.gz ZUYDGWWMKCFVLN-UHFFFAOYSA-N -1 1 393.281 3.595 20 10 GHCDMM O=C(c1cccnc1NCc1cccc(Br)c1[O-])N1CCCCC1 ZINC000764935368 859690260 /nfs/dbraw/zinc/69/02/60/859690260.db2.gz SFIMUDNJOCHWDK-UHFFFAOYSA-N -1 1 390.281 3.788 20 10 GHCDMM [O-]c1c(Br)cccc1CNC(=S)NCCSc1ccccc1 ZINC000765993541 860250286 /nfs/dbraw/zinc/25/02/86/860250286.db2.gz XHAREYBQKWNSGH-UHFFFAOYSA-N -1 1 397.363 3.911 20 10 GHCDMM [O-]c1c(Br)cccc1CNC(=S)N[C@H]1CCc2ccccc2C1 ZINC000765993713 860255910 /nfs/dbraw/zinc/25/59/10/860255910.db2.gz ZEFCRPCGIMYQNT-HNNXBMFYSA-N -1 1 391.334 3.676 20 10 GHCDMM COc1ccc(Cl)cc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765728496 860492574 /nfs/dbraw/zinc/49/25/74/860492574.db2.gz UHRABKLJAMZOJE-UHFFFAOYSA-N -1 1 384.657 3.676 20 10 GHCDMM Cc1cc(C)c(OCC(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765751258 860565146 /nfs/dbraw/zinc/56/51/46/860565146.db2.gz CPHHMUOUMLOWEJ-UHFFFAOYSA-N -1 1 378.266 3.775 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccc(C(F)F)c1 ZINC000766199756 863849061 /nfs/dbraw/zinc/84/90/61/863849061.db2.gz HPLMHQRWRLNVOK-UHFFFAOYSA-N -1 1 392.221 3.571 20 10 GHCDMM CC(C)c1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766201978 863856520 /nfs/dbraw/zinc/85/65/20/863856520.db2.gz YIGDLVQSOMRZEA-UHFFFAOYSA-N -1 1 384.295 3.757 20 10 GHCDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2O)c1 ZINC000042117465 864923011 /nfs/dbraw/zinc/92/30/11/864923011.db2.gz MNXLASUAINSSQX-UHFFFAOYSA-N -1 1 382.489 3.670 20 10 GHCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1 ZINC000740605201 865967783 /nfs/dbraw/zinc/96/77/83/865967783.db2.gz PBOAMPFHLQDWRJ-UHFFFAOYSA-N -1 1 388.489 3.510 20 10 GHCDMM O=c1c(NCc2cc(Cl)c3cccnc3c2[O-])cccn1-c1cccnc1 ZINC001168526541 866867333 /nfs/dbraw/zinc/86/73/33/866867333.db2.gz YGFQGUUQBAMXLA-UHFFFAOYSA-N -1 1 378.819 3.752 20 10 GHCDMM CC[C@@H]1NC(=O)N(c2cccc(NCc3cc(Cl)cc(F)c3[O-])c2)C1=O ZINC000793345449 882093109 /nfs/dbraw/zinc/09/31/09/882093109.db2.gz CLNRKSRBUBDZPQ-HNNXBMFYSA-N -1 1 377.803 3.632 20 10 GHCDMM CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000857301536 882188104 /nfs/dbraw/zinc/18/81/04/882188104.db2.gz UUXXAUWEZWFPCB-UHFFFAOYSA-N -1 1 376.384 3.514 20 10 GHCDMM COCCC1(CNC(=O)c2ccc(O)c([O-])c2Cl)CCC(F)(F)CC1 ZINC001193247401 870973620 /nfs/dbraw/zinc/97/36/20/870973620.db2.gz XNZQLHZLHIKBCS-UHFFFAOYSA-N -1 1 377.815 3.713 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(C(F)(F)F)n1 ZINC000793971547 882510028 /nfs/dbraw/zinc/51/00/28/882510028.db2.gz TYRHPXAYKDBELN-UHFFFAOYSA-N -1 1 381.173 3.560 20 10 GHCDMM CN(Cc1cc(Br)cn1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770324179 874598692 /nfs/dbraw/zinc/59/86/92/874598692.db2.gz MMMBZFZHWQVPQE-UHFFFAOYSA-N -1 1 388.649 3.687 20 10 GHCDMM O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc(Oc2ccncc2)cc1 ZINC001201619546 875794382 /nfs/dbraw/zinc/79/43/82/875794382.db2.gz PWRGDOHSDMZHRN-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM CN1CCN(c2ccc(/C=C/c3nc4ccc(C(=O)[O-])cc4s3)cc2)CC1 ZINC000761486515 878101783 /nfs/dbraw/zinc/10/17/83/878101783.db2.gz PMGZJCRLHOFCCV-RUDMXATFSA-N -1 1 379.485 3.917 20 10 GHCDMM COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1F ZINC000180702123 879226530 /nfs/dbraw/zinc/22/65/30/879226530.db2.gz UNEWRQLRQOFVFJ-UHFFFAOYSA-N -1 1 398.356 3.521 20 10 GHCDMM C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000790753797 879956132 /nfs/dbraw/zinc/95/61/32/879956132.db2.gz FQPYTLZHFIRZGK-SFYZADRCSA-N -1 1 386.681 3.541 20 10 GHCDMM Cc1ccc(C(C)(C)CNC(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000858761132 883336872 /nfs/dbraw/zinc/33/68/72/883336872.db2.gz NOGMYOBQNCPBNO-UHFFFAOYSA-N -1 1 392.297 3.635 20 10 GHCDMM Cc1cc(C(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154875 884238198 /nfs/dbraw/zinc/23/81/98/884238198.db2.gz FPZXHFJTWOBSCI-IFXJQAMLSA-N -1 1 382.504 3.936 20 10 GHCDMM Cc1cc(C(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154877 884239175 /nfs/dbraw/zinc/23/91/75/884239175.db2.gz FPZXHFJTWOBSCI-KUHUBIRLSA-N -1 1 382.504 3.936 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4sccc4c3)no2)c1 ZINC000762071219 885332240 /nfs/dbraw/zinc/33/22/40/885332240.db2.gz ULUQIFLXDILWSR-UHFFFAOYSA-N -1 1 387.442 3.695 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000808090004 886010328 /nfs/dbraw/zinc/01/03/28/886010328.db2.gz ONJFGIDIHGURDZ-UHFFFAOYSA-N -1 1 378.141 3.948 20 10 GHCDMM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(F)c(F)c2O)SC1=S ZINC000864363855 887727944 /nfs/dbraw/zinc/72/79/44/887727944.db2.gz WXLTUXCNSZYBKQ-DHZHZOJOSA-N -1 1 387.429 3.517 20 10 GHCDMM COCc1nc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])cs1 ZINC000810253312 888355884 /nfs/dbraw/zinc/35/58/84/888355884.db2.gz QQDDDBKQGGTEBU-MRVPVSSYSA-N -1 1 375.263 3.748 20 10 GHCDMM O=C([O-])C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Cl ZINC000871883525 891073110 /nfs/dbraw/zinc/07/31/10/891073110.db2.gz PMYQECXYISPFNP-SFHVURJKSA-N -1 1 392.858 3.621 20 10 GHCDMM CC[C@@H](Nc1ccc(OC)c(NS(C)(=O)=O)c1)c1cccc(Cl)c1[O-] ZINC000287904277 913583781 /nfs/dbraw/zinc/58/37/81/913583781.db2.gz ZUSRKMGOLVIVOQ-CQSZACIVSA-N -1 1 384.885 3.989 20 10 GHCDMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000125685229 892894182 /nfs/dbraw/zinc/89/41/82/892894182.db2.gz GPJWEIBXILTUQK-UHFFFAOYSA-N -1 1 382.688 3.979 20 10 GHCDMM COc1ccccc1C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCCC1 ZINC000815302653 893700290 /nfs/dbraw/zinc/70/02/90/893700290.db2.gz BBVVHOHCFFYOGJ-UHFFFAOYSA-N -1 1 384.428 3.734 20 10 GHCDMM CC[C@@H]1NC(=O)N(c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)C1=O ZINC000816596870 894961069 /nfs/dbraw/zinc/96/10/69/894961069.db2.gz VEJWBTXQTPOLDI-HNNXBMFYSA-N -1 1 377.803 3.632 20 10 GHCDMM O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001185790914 914082821 /nfs/dbraw/zinc/08/28/21/914082821.db2.gz RNQDUPCAIYUOLZ-UHFFFAOYSA-N -1 1 395.386 3.571 20 10 GHCDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000130176838 897004254 /nfs/dbraw/zinc/00/42/54/897004254.db2.gz HAYGWOOPAJEFFW-UHFFFAOYSA-N -1 1 377.205 3.716 20 10 GHCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)nnn1CCOc1ccc(F)cc1 ZINC001179494341 909568529 /nfs/dbraw/zinc/56/85/29/909568529.db2.gz PTDQLSGXTHLLNL-UHFFFAOYSA-N -1 1 394.809 3.915 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN[C@H](CO)c1cc(F)ccc1F ZINC001179788756 909730416 /nfs/dbraw/zinc/73/04/16/909730416.db2.gz FDNMOJCMFGCGNZ-CQSZACIVSA-N -1 1 392.627 3.910 20 10 GHCDMM CN(C)c1cc(Br)cc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001180410845 910151349 /nfs/dbraw/zinc/15/13/49/910151349.db2.gz RWFGEQAEAIDIFK-UHFFFAOYSA-N -1 1 383.673 3.804 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCCCC[C@@H]1CO ZINC001206514286 911722740 /nfs/dbraw/zinc/72/27/40/911722740.db2.gz PZBTWFBMXQRAGY-GFCCVEGCSA-N -1 1 393.119 3.654 20 10 GHCDMM COc1c([O-])c(CN2CCn3c(cc4cc(Cl)ccc43)C2)ccc1[N+](=O)[O-] ZINC000775118083 915249061 /nfs/dbraw/zinc/24/90/61/915249061.db2.gz JTJBOBVLELDYTG-UHFFFAOYSA-N -1 1 387.823 3.933 20 10 GHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(Oc2cccnc2)cc1 ZINC001188894814 916284077 /nfs/dbraw/zinc/28/40/77/916284077.db2.gz RGJPKBDTXYYNLO-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc(Br)c(Cl)c1 ZINC001189163994 916410016 /nfs/dbraw/zinc/41/00/16/916410016.db2.gz GOBWRIACWYVVJL-UHFFFAOYSA-N -1 1 380.622 3.748 20 10 GHCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1ccc(Br)c(Cl)c1 ZINC001189164720 916411574 /nfs/dbraw/zinc/41/15/74/916411574.db2.gz YNDPZITWSFWFJK-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)c(C)c1O ZINC000775291843 916836576 /nfs/dbraw/zinc/83/65/76/916836576.db2.gz PYVHROSHXFFHAP-UHFFFAOYSA-N -1 1 384.841 3.988 20 10 GHCDMM O=S(=O)([N-]Cc1cc(Cl)ccc1O)c1ccc(Cl)c(F)c1Cl ZINC001192214605 918543252 /nfs/dbraw/zinc/54/32/52/918543252.db2.gz JPKLKAANVUJNBF-UHFFFAOYSA-N -1 1 384.643 3.970 20 10 GHCDMM CCOC(=O)[C@]1(NCc2cc(Cl)cc(C(C)=O)c2[O-])CCc2ccccc21 ZINC000750046902 927404146 /nfs/dbraw/zinc/40/41/46/927404146.db2.gz HSOZDLXBMDKZHN-NRFANRHFSA-N -1 1 387.863 3.743 20 10 GHCDMM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(C)cc(Br)c1[O-] ZINC000781892368 931013980 /nfs/dbraw/zinc/01/39/80/931013980.db2.gz AIYVLSJHQBAECI-QGZVFWFLSA-N -1 1 390.277 3.563 20 10 GHCDMM O=C(COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc([O-])c(O)c1 ZINC000783540818 931576460 /nfs/dbraw/zinc/57/64/60/931576460.db2.gz DHJTZHFBHAXUHK-OLZOCXBDSA-N -1 1 381.211 3.934 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](c1ccccn1)C1CC1 ZINC000925555718 931821779 /nfs/dbraw/zinc/82/17/79/931821779.db2.gz IRTGSRNHCZPFOO-HNNXBMFYSA-N -1 1 376.254 3.500 20 10 GHCDMM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000798940569 932825622 /nfs/dbraw/zinc/82/56/22/932825622.db2.gz TUOUUQMRIAVTFJ-SGTLLEGYSA-N -1 1 376.403 3.761 20 10 GHCDMM COc1cccc(SCC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC001599684135 990959584 /nfs/dbraw/zinc/95/95/84/990959584.db2.gz MVJJHIJCOIAETK-UHFFFAOYSA-N -1 1 381.881 3.733 20 10 GHCDMM COc1cccc(SCC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC001599684135 990959592 /nfs/dbraw/zinc/95/95/92/990959592.db2.gz MVJJHIJCOIAETK-UHFFFAOYSA-N -1 1 381.881 3.733 20 10 GHCDMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234767 1032465549 /nfs/dbraw/zinc/46/55/49/1032465549.db2.gz UUDRCQSAFSCETM-ZVLVQXPOSA-N -1 1 391.423 3.516 20 10 GHCDMM COCCN1C(=O)CCc2cc(N[C@H](C)c3cc(F)cc(F)c3[O-])ccc21 ZINC000779083674 1020351383 /nfs/dbraw/zinc/35/13/83/1020351383.db2.gz PFSKSTXQEDICRL-GFCCVEGCSA-N -1 1 376.403 3.769 20 10 GHCDMM Cc1cc(C)cc(C2(c3noc(-c4cc(NS(C)(=O)=O)ccc4[O-])n3)CC2)c1 ZINC000834885654 1021611715 /nfs/dbraw/zinc/61/17/15/1021611715.db2.gz LHIMYLQBSPNRJA-UHFFFAOYSA-N -1 1 399.472 3.510 20 10 GHCDMM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203578566 1027447722 /nfs/dbraw/zinc/44/77/22/1027447722.db2.gz NZHORVAETOFELO-CABCVRRESA-N -1 1 398.315 3.645 20 10 GHCDMM O=C1c2ccccc2N[C@@H](c2cc(Cl)c(F)cc2[O-])N1C[C@@H]1CCCO1 ZINC000840785189 1027823073 /nfs/dbraw/zinc/82/30/73/1027823073.db2.gz NKMBASUDFCETTR-BBATYDOGSA-N -1 1 376.815 3.930 20 10 GHCDMM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(O)c([O-])c4Cl)n3)cn2)n1 ZINC001216953222 1030026750 /nfs/dbraw/zinc/02/67/50/1030026750.db2.gz DVWCDOSJAGTQSM-UHFFFAOYSA-N -1 1 383.795 3.666 20 10 GHCDMM Cc1ccc(C)n1-c1nc(CC(=O)NCc2cccc(Cl)c2[O-])cs1 ZINC001159034030 1034394098 /nfs/dbraw/zinc/39/40/98/1034394098.db2.gz PKARGOIMMPPFJS-UHFFFAOYSA-N -1 1 375.881 3.769 20 10 GHCDMM O=C(NCc1ccc(O)c(Cl)c1)NCc1cccc(Br)c1[O-] ZINC001248410562 1035826686 /nfs/dbraw/zinc/82/66/86/1035826686.db2.gz BCPXNNWBSVBTHP-UHFFFAOYSA-N -1 1 385.645 3.513 20 10 GHCDMM COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c(O)c1I ZINC001248489003 1035911029 /nfs/dbraw/zinc/91/10/29/1035911029.db2.gz CDUFXGXXDQANPW-WDEREUQCSA-N -1 1 375.250 3.626 20 10 GHCDMM CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(Br)cc1O ZINC001462135636 1070023574 /nfs/dbraw/zinc/02/35/74/1070023574.db2.gz FFDWCLCIGCQSKT-KRWDZBQOSA-N -1 1 392.293 3.761 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC(COc2cccnc2)CC1 ZINC001233029010 1038780293 /nfs/dbraw/zinc/78/02/93/1038780293.db2.gz XVWWYTSNVUWKGE-UHFFFAOYSA-N -1 1 395.272 3.980 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H]2c2ccccn2)c1 ZINC001233307532 1039097824 /nfs/dbraw/zinc/09/78/24/1039097824.db2.gz HBOKTLQLXJXMGV-MRXNPFEDSA-N -1 1 391.265 3.673 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416809 1039273756 /nfs/dbraw/zinc/27/37/56/1039273756.db2.gz XFPJKMWMDBUGSM-GJZGRUSLSA-N -1 1 386.414 3.995 20 10 GHCDMM [O-]c1c(CN2CCn3cnc(COCC4CC4)c3C2)cccc1C(F)(F)F ZINC001233417409 1039277983 /nfs/dbraw/zinc/27/79/83/1039277983.db2.gz SZJVDNJNDTVCPS-UHFFFAOYSA-N -1 1 381.398 3.550 20 10 GHCDMM CC[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)c1cc(OC)c(OC)c(OC)c1 ZINC001234476065 1040058603 /nfs/dbraw/zinc/05/86/03/1040058603.db2.gz KGHFPDNVGWKWHP-MRXNPFEDSA-N -1 1 376.405 3.856 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001234474924 1040058756 /nfs/dbraw/zinc/05/87/56/1040058756.db2.gz ZTWHPHYWFSHVFW-GOSISDBHSA-N -1 1 391.464 3.859 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001234478334 1040061288 /nfs/dbraw/zinc/06/12/88/1040061288.db2.gz YNSCRGJNAXICPC-QGZVFWFLSA-N -1 1 379.453 3.715 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC(Oc2ccccn2)CC1 ZINC001235066137 1040554528 /nfs/dbraw/zinc/55/45/28/1040554528.db2.gz WPAGEXBJMLYILD-UHFFFAOYSA-N -1 1 381.245 3.732 20 10 GHCDMM CCc1nc(C2CCN(Cc3cc(F)cc(Br)c3[O-])CC2)no1 ZINC001235306626 1040781189 /nfs/dbraw/zinc/78/11/89/1040781189.db2.gz WIPVFFHOHYAXLU-UHFFFAOYSA-N -1 1 384.249 3.619 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1F ZINC001236795163 1041899349 /nfs/dbraw/zinc/89/93/49/1041899349.db2.gz ADQGYTYKTZRTIH-QWHCGFSZSA-N -1 1 379.259 3.746 20 10 GHCDMM COc1ccc(CN2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c([O-])c1Cl ZINC001236802082 1041903686 /nfs/dbraw/zinc/90/36/86/1041903686.db2.gz OCNFVRVIRZGPHN-CYBMUJFWSA-N -1 1 384.904 3.886 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001237126644 1042054588 /nfs/dbraw/zinc/05/45/88/1042054588.db2.gz OACNUQAFGVKLPP-UHFFFAOYSA-N -1 1 390.821 3.522 20 10 GHCDMM O=C1c2cccc(O)c2C(=O)c2c([O-])cc(-c3nnc(C4CCCC4)o3)cc21 ZINC001257512881 1044028337 /nfs/dbraw/zinc/02/83/37/1044028337.db2.gz NZFIAYQRGHVFER-UHFFFAOYSA-N -1 1 376.368 3.581 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1O ZINC001259334894 1045084664 /nfs/dbraw/zinc/08/46/64/1045084664.db2.gz JLCRJTOLYQCODA-UHFFFAOYSA-N -1 1 383.425 3.647 20 10 GHCDMM Cc1ccc(NCc2cc(Br)cc(F)c2[O-])cc1C(=O)N(C)C ZINC001308318907 1049947191 /nfs/dbraw/zinc/94/71/91/1049947191.db2.gz LCXPUJJTERNDGK-UHFFFAOYSA-N -1 1 381.245 3.916 20 10 GHCDMM O=C(NCCCCOc1ccccc1)NCc1cccc(Br)c1[O-] ZINC001320787426 1055961571 /nfs/dbraw/zinc/96/15/71/1055961571.db2.gz WRLIPDOGVXBVNO-UHFFFAOYSA-N -1 1 393.281 3.813 20 10 GHCDMM Cn1nc(C(C)(C)C)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC001320915051 1056013475 /nfs/dbraw/zinc/01/34/75/1056013475.db2.gz BWPXFWRVMLNTRW-UHFFFAOYSA-N -1 1 381.274 3.507 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ncoc1CCC(F)(F)F ZINC001448959196 1060306251 /nfs/dbraw/zinc/30/62/51/1060306251.db2.gz JSIIKOCMWCWPOE-UHFFFAOYSA-N -1 1 393.159 3.568 20 10 GHCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]OCCCC(F)(F)F)C1 ZINC001455081009 1061996165 /nfs/dbraw/zinc/99/61/65/1061996165.db2.gz SRJYVCYJVPQUAC-UHFFFAOYSA-N -1 1 397.441 3.798 20 10 GHCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC000765339534 1068113271 /nfs/dbraw/zinc/11/32/71/1068113271.db2.gz NFRMBMLLVLIQAO-UHFFFAOYSA-N -1 1 380.198 3.693 20 10 GHCDMM CSc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000765771280 1068121812 /nfs/dbraw/zinc/12/18/12/1068121812.db2.gz YZNPPACPNMFYLT-UHFFFAOYSA-N -1 1 397.250 3.715 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC001473384163 1073943906 /nfs/dbraw/zinc/94/39/06/1073943906.db2.gz NSXKAZKRCDOJEP-GFCCVEGCSA-N -1 1 382.888 3.689 20 10 GHCDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccccc1O ZINC001475585739 1074920692 /nfs/dbraw/zinc/92/06/92/1074920692.db2.gz GQCCCKXSIROIDO-MRVPVSSYSA-N -1 1 391.232 3.647 20 10 GHCDMM Cc1cc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)n2)c(C)o1 ZINC000738313681 600055928 /nfs/dbraw/zinc/05/59/28/600055928.db2.gz DZKCNTCKIMLWTQ-UHFFFAOYSA-N -1 1 392.458 3.827 20 10 GHCDMM Cn1cc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1C(=O)[O-] ZINC000833055503 600808596 /nfs/dbraw/zinc/80/85/96/600808596.db2.gz JJUWCACPZINTFK-UHFFFAOYSA-N -1 1 384.417 3.940 20 10 GHCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c(C)c1 ZINC000822241321 606393751 /nfs/dbraw/zinc/39/37/51/606393751.db2.gz RRPSIBSCLSQUHL-RIYZIHGNSA-N -1 1 399.526 3.951 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(Cc2ccc(F)cc2)CCOCC1 ZINC000890759548 836700455 /nfs/dbraw/zinc/70/04/55/836700455.db2.gz NVJFOQAFWRKRJD-UHFFFAOYSA-N -1 1 377.843 3.840 20 10 GHCDMM CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCc1nn[n-]n1 ZINC000913398621 853314193 /nfs/dbraw/zinc/31/41/93/853314193.db2.gz CXXCXUOYHKIOJS-UHFFFAOYSA-N -1 1 393.314 3.774 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000765756381 856109412 /nfs/dbraw/zinc/10/94/12/856109412.db2.gz MVGWIDRWYIXKJF-WCQYABFASA-N -1 1 382.204 3.853 20 10 GHCDMM Cc1cc2c(cc1C)[C@@H](C(=O)NCc1cccc(Br)c1[O-])CO2 ZINC000765757000 856332812 /nfs/dbraw/zinc/33/28/12/856332812.db2.gz PJAPTLMKFNXKKA-AWEZNQCLSA-N -1 1 376.250 3.564 20 10 GHCDMM Nc1c(Cl)cc(C(=O)NCc2cccc(Br)c2[O-])cc1Cl ZINC000765945432 856676723 /nfs/dbraw/zinc/67/67/23/856676723.db2.gz XRUWKMNWSNJBLT-UHFFFAOYSA-N -1 1 390.064 3.974 20 10 GHCDMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000764766021 859593993 /nfs/dbraw/zinc/59/39/93/859593993.db2.gz XOEOETUQVVMEOF-GWCFXTLKSA-N -1 1 379.254 3.871 20 10 GHCDMM O=C(NCc1nc2ccccc2s1)NCc1cccc(Br)c1[O-] ZINC000764756911 859596315 /nfs/dbraw/zinc/59/63/15/859596315.db2.gz JJASTOCPNBOORN-UHFFFAOYSA-N -1 1 392.278 3.764 20 10 GHCDMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764783215 859601792 /nfs/dbraw/zinc/60/17/92/859601792.db2.gz IEZIOMZKLHMTLT-YJBOKZPZSA-N -1 1 375.266 3.684 20 10 GHCDMM Cc1ccc(CC[C@H](C)NC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000764788895 859609982 /nfs/dbraw/zinc/60/99/82/859609982.db2.gz CLPQCZNKRCJBFX-NSHDSACASA-N -1 1 381.270 3.877 20 10 GHCDMM Cc1ccc(O[C@@H](C)CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764790156 859610086 /nfs/dbraw/zinc/61/00/86/859610086.db2.gz HPJKQVKOOZPWHD-ZDUSSCGKSA-N -1 1 393.281 3.730 20 10 GHCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCCO1 ZINC000764797015 859611836 /nfs/dbraw/zinc/61/18/36/859611836.db2.gz IHLKNMPBHBMXRS-CQSZACIVSA-N -1 1 385.302 3.549 20 10 GHCDMM CC(C)CSCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764798326 859612823 /nfs/dbraw/zinc/61/28/23/859612823.db2.gz CPYWXVDPIDJSND-UHFFFAOYSA-N -1 1 375.332 3.733 20 10 GHCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])c1cccs1 ZINC000764786119 859618859 /nfs/dbraw/zinc/61/88/59/859618859.db2.gz ZMDYEOXDZNZOHG-UHFFFAOYSA-N -1 1 383.311 3.993 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837295 859999267 /nfs/dbraw/zinc/99/92/67/859999267.db2.gz KTEJLNFXIFBXJH-GFCCVEGCSA-N -1 1 388.611 3.555 20 10 GHCDMM CC(=O)c1ccc(NC(=S)NCc2cccc(Br)c2[O-])cc1 ZINC000765992866 860244850 /nfs/dbraw/zinc/24/48/50/860244850.db2.gz QAKDIEGEVDQVDE-UHFFFAOYSA-N -1 1 379.279 3.844 20 10 GHCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C2CCCCC2)n1 ZINC000765731733 860500718 /nfs/dbraw/zinc/50/07/18/860500718.db2.gz LPRYDGVYHAMVGL-UHFFFAOYSA-N -1 1 392.297 3.866 20 10 GHCDMM COc1ccc(C[C@@H](C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765747493 860562385 /nfs/dbraw/zinc/56/23/85/860562385.db2.gz OWSKXEDYYLSENK-GFCCVEGCSA-N -1 1 378.266 3.658 20 10 GHCDMM CC(C)COc1ncccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765750240 860563511 /nfs/dbraw/zinc/56/35/11/860563511.db2.gz CSBSHQILFOTCSG-UHFFFAOYSA-N -1 1 379.254 3.515 20 10 GHCDMM CCc1ccc(C(=O)CCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765751996 860569819 /nfs/dbraw/zinc/56/98/19/860569819.db2.gz CVIVBDYBJQKQIL-UHFFFAOYSA-N -1 1 390.277 3.996 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])C1=Cc2ccccc2CC1 ZINC000766202288 863860554 /nfs/dbraw/zinc/86/05/54/863860554.db2.gz ZFVNLNJFJTYQNF-UHFFFAOYSA-N -1 1 394.290 3.561 20 10 GHCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001193232141 870961181 /nfs/dbraw/zinc/96/11/81/870961181.db2.gz FKDPTVARGMZZGD-OLZOCXBDSA-N -1 1 398.887 3.659 20 10 GHCDMM Cn1c2ccccc2nc1C1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193232267 870962447 /nfs/dbraw/zinc/96/24/47/870962447.db2.gz GXORAKXNVWJZIP-UHFFFAOYSA-N -1 1 385.851 3.658 20 10 GHCDMM COc1ccc(F)c2[nH]c(C(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000793971515 882509943 /nfs/dbraw/zinc/50/99/43/882509943.db2.gz SVWDZHGUQIISLH-UHFFFAOYSA-N -1 1 393.212 3.714 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000775664363 872505513 /nfs/dbraw/zinc/50/55/13/872505513.db2.gz MGRVYCPMGNFXNG-UHFFFAOYSA-N -1 1 391.302 3.665 20 10 GHCDMM CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000775754815 873520609 /nfs/dbraw/zinc/52/06/09/873520609.db2.gz BZHQZAQCJUWNDB-UHFFFAOYSA-N -1 1 382.913 3.876 20 10 GHCDMM Cc1c2ccccc2oc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771083176 875023182 /nfs/dbraw/zinc/02/31/82/875023182.db2.gz OPDQEKXQKULQGE-UHFFFAOYSA-N -1 1 385.401 3.535 20 10 GHCDMM Cc1ccc2oc(-c3noc(-c4cc(NS(C)(=O)=O)ccc4[O-])n3)cc2c1 ZINC000771700101 875388594 /nfs/dbraw/zinc/38/85/94/875388594.db2.gz ILNHITDYNOQBKE-UHFFFAOYSA-N -1 1 385.401 3.535 20 10 GHCDMM O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1c([O-])c(O)ccc1F ZINC000790068885 879413268 /nfs/dbraw/zinc/41/32/68/879413268.db2.gz IDTWHAYVJQDHRN-UHFFFAOYSA-N -1 1 398.365 3.558 20 10 GHCDMM Cc1c(Cl)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C(=O)[O-] ZINC000808114248 886026435 /nfs/dbraw/zinc/02/64/35/886026435.db2.gz UXMBVRNYKKMEBJ-UHFFFAOYSA-N -1 1 394.207 3.646 20 10 GHCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])c(C)c1S(=O)(=O)NC1CC1 ZINC000809684106 887702905 /nfs/dbraw/zinc/70/29/05/887702905.db2.gz NURAZGAXKPRZCB-UHFFFAOYSA-N -1 1 398.887 3.854 20 10 GHCDMM CC[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866440738 888879191 /nfs/dbraw/zinc/87/91/91/888879191.db2.gz HQWXJXZIMSXDOC-CYBMUJFWSA-N -1 1 385.295 3.952 20 10 GHCDMM O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000917126471 891345634 /nfs/dbraw/zinc/34/56/34/891345634.db2.gz DWXHDDBXVMCAPP-UHFFFAOYSA-N -1 1 393.453 3.552 20 10 GHCDMM O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000917126471 891345651 /nfs/dbraw/zinc/34/56/51/891345651.db2.gz DWXHDDBXVMCAPP-UHFFFAOYSA-N -1 1 393.453 3.552 20 10 GHCDMM CC[C@H](Nc1ccc(OC)c(NS(C)(=O)=O)c1)c1cccc(Cl)c1[O-] ZINC000287904274 913583986 /nfs/dbraw/zinc/58/39/86/913583986.db2.gz ZUSRKMGOLVIVOQ-AWEZNQCLSA-N -1 1 384.885 3.989 20 10 GHCDMM COc1c([O-])c(CN(C)Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000774820436 913643719 /nfs/dbraw/zinc/64/37/19/913643719.db2.gz LJVILUKLBQONDO-UHFFFAOYSA-N -1 1 381.226 3.704 20 10 GHCDMM COc1c([O-])c(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC000774820586 913643859 /nfs/dbraw/zinc/64/38/59/913643859.db2.gz BVDOKTOKQAEZDL-UHFFFAOYSA-N -1 1 381.772 3.503 20 10 GHCDMM CCc1sc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Br ZINC000815335116 893760637 /nfs/dbraw/zinc/76/06/37/893760637.db2.gz XQHXYWMMHCSKNM-UHFFFAOYSA-N -1 1 385.235 3.524 20 10 GHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1C(=O)N1CCOCC1 ZINC000816594237 894938483 /nfs/dbraw/zinc/93/84/83/894938483.db2.gz UVIDJXHGCMHCEG-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM [O-]c1c(F)cc(F)cc1CNc1nn(CC(F)(F)F)cc1Br ZINC000883218371 897381051 /nfs/dbraw/zinc/38/10/51/897381051.db2.gz YXUUPQCYAXQFFA-UHFFFAOYSA-N -1 1 386.118 3.804 20 10 GHCDMM Cc1c(CNC(=O)OC(C)(C)C)c(NCc2c([O-])ccc(Cl)c2F)nn1C ZINC000826686180 904936458 /nfs/dbraw/zinc/93/64/58/904936458.db2.gz KLYGQPAKUMNMEI-UHFFFAOYSA-N -1 1 398.866 3.863 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1c(Cl)cccc1C(F)(F)F ZINC001189495034 916677991 /nfs/dbraw/zinc/67/79/91/916677991.db2.gz DDUGVESAULZZGG-UHFFFAOYSA-N -1 1 388.729 3.774 20 10 GHCDMM COC(=O)c1cc(Br)ccc1SCC(=O)c1ccc([O-])c(O)c1 ZINC001189903639 916997559 /nfs/dbraw/zinc/99/75/59/916997559.db2.gz SHTHDULLCUXDBD-UHFFFAOYSA-N -1 1 397.246 3.622 20 10 GHCDMM O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc([O-])c(O)c1 ZINC000006531278 917151368 /nfs/dbraw/zinc/15/13/68/917151368.db2.gz JLBUMCINVQDMQO-UHFFFAOYSA-N -1 1 396.468 3.898 20 10 GHCDMM CC[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775496225 918332189 /nfs/dbraw/zinc/33/21/89/918332189.db2.gz HZAWYJKFFQIJFF-CQSZACIVSA-N -1 1 378.263 3.916 20 10 GHCDMM C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000903339733 922941460 /nfs/dbraw/zinc/94/14/60/922941460.db2.gz CEAUAGZJWXMZJE-SSDOTTSWSA-N -1 1 396.182 3.897 20 10 GHCDMM CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000826825595 924234179 /nfs/dbraw/zinc/23/41/79/924234179.db2.gz QITKTLPKYMYSFK-UHFFFAOYSA-N -1 1 390.411 3.556 20 10 GHCDMM Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000759160439 930294634 /nfs/dbraw/zinc/29/46/34/930294634.db2.gz OKPWGWMIYPZOPQ-FQEVSTJZSA-N -1 1 391.471 3.708 20 10 GHCDMM Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000759160439 930294646 /nfs/dbraw/zinc/29/46/46/930294646.db2.gz OKPWGWMIYPZOPQ-FQEVSTJZSA-N -1 1 391.471 3.708 20 10 GHCDMM COc1ccc2cc(C=CC(=O)OCC(=O)c3ccc([O-])c(O)c3)ccc2c1 ZINC000782539400 931262244 /nfs/dbraw/zinc/26/22/44/931262244.db2.gz BNEZZJSHZDESKU-OQFOIZHKSA-N -1 1 378.380 3.699 20 10 GHCDMM O=C(C=Cc1ccc2ccc(Cl)cc2n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782673768 931298017 /nfs/dbraw/zinc/29/80/17/931298017.db2.gz WAKGGWSRSYHEGS-VURMDHGXSA-N -1 1 383.787 3.739 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783879134 931702277 /nfs/dbraw/zinc/70/22/77/931702277.db2.gz RNPSNICCZHSCPM-ZIAGYGMSSA-N -1 1 381.211 3.934 20 10 GHCDMM O=C(COC(=O)c1cc(Cl)cc(Br)c1)c1ccc([O-])c(O)c1 ZINC000784306187 931851327 /nfs/dbraw/zinc/85/13/27/931851327.db2.gz SSGQYXXIDXPGKM-UHFFFAOYSA-N -1 1 385.597 3.553 20 10 GHCDMM Cc1ccc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Br)c1 ZINC000784802746 932006944 /nfs/dbraw/zinc/00/69/44/932006944.db2.gz WTSPQGSLRIKXEX-UHFFFAOYSA-N -1 1 393.233 3.527 20 10 GHCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1Br ZINC000798730115 932758215 /nfs/dbraw/zinc/75/82/15/932758215.db2.gz CKJJYDFWUOSKGH-UHFFFAOYSA-N -1 1 393.233 3.564 20 10 GHCDMM Cc1ccc(N2CCOCC2)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000931255843 934465992 /nfs/dbraw/zinc/46/59/92/934465992.db2.gz LFDSGUWZJYFNDV-UHFFFAOYSA-N -1 1 375.856 3.512 20 10 GHCDMM O=C(Nc1ccc(-c2cccc(O)c2)cc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155233103 1032465370 /nfs/dbraw/zinc/46/53/70/1032465370.db2.gz ZYWJQVDEBDYUGG-UHFFFAOYSA-N -1 1 389.363 3.829 20 10 GHCDMM CCOC(=O)[C@H]1CCC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227576603 1032469079 /nfs/dbraw/zinc/46/90/79/1032469079.db2.gz CELMJRDMAWZIOZ-KBPBESRZSA-N -1 1 394.423 3.668 20 10 GHCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)c21 ZINC001228188992 1032830633 /nfs/dbraw/zinc/83/06/33/1032830633.db2.gz CTTWTFUTLNJZLC-FUIXPZOKSA-N -1 1 380.396 3.853 20 10 GHCDMM COc1ccc2c(c1)OCCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC000802659121 1021517991 /nfs/dbraw/zinc/51/79/91/1021517991.db2.gz GFOAOBYLNYBWIC-UHFFFAOYSA-N -1 1 378.266 3.866 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCCC1(F)F ZINC000836523619 1023077045 /nfs/dbraw/zinc/07/70/45/1023077045.db2.gz LDIWADALWHVETP-NSHDSACASA-N -1 1 377.229 3.779 20 10 GHCDMM [O-]c1c(F)cc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001140993697 1023115647 /nfs/dbraw/zinc/11/56/47/1023115647.db2.gz DWFWTGKIMGCFBL-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM C[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756712486 1023784026 /nfs/dbraw/zinc/78/40/26/1023784026.db2.gz QXGOKTXSLOLPLB-RMLUDKJBSA-N -1 1 390.199 3.956 20 10 GHCDMM C[C@H](C(=O)Nc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1)n1cncn1 ZINC000756851792 1023834957 /nfs/dbraw/zinc/83/49/57/1023834957.db2.gz VHQZSMDUGCOAKR-NWDGAFQWSA-N -1 1 387.390 3.635 20 10 GHCDMM CCOC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372987 1024761847 /nfs/dbraw/zinc/76/18/47/1024761847.db2.gz IDAZPTKQORDIHX-SNVBAGLBSA-N -1 1 376.678 3.583 20 10 GHCDMM CCO[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203568197 1027439276 /nfs/dbraw/zinc/43/92/76/1027439276.db2.gz DZZKPGJDJFDPLA-LLVKDONJSA-N -1 1 379.092 3.528 20 10 GHCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(N2CCCCC2)c(Br)c1 ZINC000840713336 1027751803 /nfs/dbraw/zinc/75/18/03/1027751803.db2.gz RKTHFPZSKBOBNL-UKTHLTGXSA-N -1 1 383.336 3.928 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cccc2c(Cl)ccnc21 ZINC001214006823 1028503709 /nfs/dbraw/zinc/50/37/09/1028503709.db2.gz ZHNVJOSVOMJOKM-UHFFFAOYSA-N -1 1 383.256 3.726 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])C1=Cc2cc(Cl)ccc2OC1 ZINC001214006494 1028504066 /nfs/dbraw/zinc/50/40/66/1028504066.db2.gz NJJJOAZIZWWUCH-UHFFFAOYSA-N -1 1 386.256 3.552 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3ccc4ncsc4c3)no2)cc1CN1CCOCC1 ZINC001217056606 1030128688 /nfs/dbraw/zinc/12/86/88/1030128688.db2.gz LUTJVTYBGADKOO-UHFFFAOYSA-N -1 1 394.456 3.551 20 10 GHCDMM O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)c(Cl)cc2O)N1CC1CCCC1 ZINC001276967157 1030978363 /nfs/dbraw/zinc/97/83/63/1030978363.db2.gz FKELQYMQLNWGIN-QZTJIDSGSA-N -1 1 380.891 3.940 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001159033613 1034392281 /nfs/dbraw/zinc/39/22/81/1034392281.db2.gz KJTWLTAYXXCIKU-UHFFFAOYSA-N -1 1 399.756 3.593 20 10 GHCDMM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cccc(Cl)c3[O-])n2)n1 ZINC001159033704 1034392476 /nfs/dbraw/zinc/39/24/76/1034392476.db2.gz MGTXGHZGMOMRCC-UHFFFAOYSA-N -1 1 391.258 3.827 20 10 GHCDMM CC(C)[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231453665 1034596545 /nfs/dbraw/zinc/59/65/45/1034596545.db2.gz NZVKYZMDELCYQX-QGZVFWFLSA-N -1 1 392.496 3.700 20 10 GHCDMM CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231453665 1034596554 /nfs/dbraw/zinc/59/65/54/1034596554.db2.gz NZVKYZMDELCYQX-QGZVFWFLSA-N -1 1 392.496 3.700 20 10 GHCDMM CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231453694 1034597153 /nfs/dbraw/zinc/59/71/53/1034597153.db2.gz OVBJHSMIKNUQPL-HNNXBMFYSA-N -1 1 392.496 3.559 20 10 GHCDMM CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231453694 1034597158 /nfs/dbraw/zinc/59/71/58/1034597158.db2.gz OVBJHSMIKNUQPL-HNNXBMFYSA-N -1 1 392.496 3.559 20 10 GHCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3ccc(Cl)cc3Cl)CC2)c1 ZINC001231563869 1034713762 /nfs/dbraw/zinc/71/37/62/1034713762.db2.gz FQMPYXNNHHAQCL-UHFFFAOYSA-N -1 1 381.259 3.719 20 10 GHCDMM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001231565599 1034716046 /nfs/dbraw/zinc/71/60/46/1034716046.db2.gz HXEQWAYGFDNJMT-UHFFFAOYSA-N -1 1 398.459 3.996 20 10 GHCDMM COc1ccccc1O[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029828 1038781848 /nfs/dbraw/zinc/78/18/48/1038781848.db2.gz JMMUXCSDDLWRKI-ZDUSSCGKSA-N -1 1 396.256 3.956 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001233033316 1038787864 /nfs/dbraw/zinc/78/78/64/1038787864.db2.gz KDTOZNIMGYJWTM-AWEZNQCLSA-N -1 1 381.245 3.732 20 10 GHCDMM Cc1cccc(N2CCC[C@@]3(CN(Cc4c([O-])ccc(F)c4F)CCO3)C2)c1 ZINC001233333080 1039129803 /nfs/dbraw/zinc/12/98/03/1039129803.db2.gz JATZFFOKLNVDFV-JOCHJYFZSA-N -1 1 388.458 3.850 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@H]1CCC(F)(F)CN1Cc1c([O-])ccc(F)c1F ZINC001233336481 1039139182 /nfs/dbraw/zinc/13/91/82/1039139182.db2.gz NGNXXZROXFBDOH-LLVKDONJSA-N -1 1 392.393 3.795 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001233496076 1039389627 /nfs/dbraw/zinc/38/96/27/1039389627.db2.gz WLRBYULCXIJMLI-UHFFFAOYSA-N -1 1 391.464 3.859 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]([C@@H](C)C(=O)OCC)C(F)(F)F ZINC001233497526 1039391358 /nfs/dbraw/zinc/39/13/58/1039391358.db2.gz OHESDQAJJVEPFF-PSLIRLAXSA-N -1 1 378.343 3.590 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001234473636 1040055652 /nfs/dbraw/zinc/05/56/52/1040055652.db2.gz JGBSYMDLXAXMRE-UHFFFAOYSA-N -1 1 391.464 3.859 20 10 GHCDMM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235305273 1040777486 /nfs/dbraw/zinc/77/74/86/1040777486.db2.gz LIVYENXRXPIBNN-LLVKDONJSA-N -1 1 388.277 3.848 20 10 GHCDMM CCC(=O)N(CC)C1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235306496 1040782596 /nfs/dbraw/zinc/78/25/96/1040782596.db2.gz HCSSMHVWYHPBEU-UHFFFAOYSA-N -1 1 387.293 3.517 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001236791145 1041896583 /nfs/dbraw/zinc/89/65/83/1041896583.db2.gz YDLJVEPIZXKCNS-UHFFFAOYSA-N -1 1 397.306 3.623 20 10 GHCDMM O=C(c1ccc(F)cc1)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236796958 1041901442 /nfs/dbraw/zinc/90/14/42/1041901442.db2.gz SJSUGCJYDKYDKL-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM COc1ccc(C[N@H+]2CCN(CC3CC3)c3nc(C)ccc3C2)c([O-])c1Cl ZINC001236813424 1041911977 /nfs/dbraw/zinc/91/19/77/1041911977.db2.gz LSRQOLOYUDYYKJ-UHFFFAOYSA-N -1 1 387.911 3.990 20 10 GHCDMM COc1ccc(CN2CCN(CC3CC3)c3nc(C)ccc3C2)c([O-])c1Cl ZINC001236813424 1041911978 /nfs/dbraw/zinc/91/19/78/1041911978.db2.gz LSRQOLOYUDYYKJ-UHFFFAOYSA-N -1 1 387.911 3.990 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001237079416 1042025996 /nfs/dbraw/zinc/02/59/96/1042025996.db2.gz CRYNJHNKCCGZSV-CQSZACIVSA-N -1 1 396.318 3.954 20 10 GHCDMM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)Cc2nnc(C(F)(F)F)n21 ZINC001237087030 1042029620 /nfs/dbraw/zinc/02/96/20/1042029620.db2.gz SIINEPLZHFPYFD-ZETCQYMHSA-N -1 1 381.185 3.886 20 10 GHCDMM COC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2nn(CC3CC3)cc21 ZINC001237125259 1042052507 /nfs/dbraw/zinc/05/25/07/1042052507.db2.gz XGZJIBPGVIIMKW-CYBMUJFWSA-N -1 1 379.863 3.537 20 10 GHCDMM COc1cccc2c1CN(Cc1cccc(I)c1[O-])C2 ZINC001237784800 1042368318 /nfs/dbraw/zinc/36/83/18/1042368318.db2.gz ZBZIFZAMUNKJDD-UHFFFAOYSA-N -1 1 381.213 3.521 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001237935529 1042427372 /nfs/dbraw/zinc/42/73/72/1042427372.db2.gz FAQCHLITDRLURH-UHFFFAOYSA-N -1 1 389.780 3.921 20 10 GHCDMM O=C(c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)C1CC1 ZINC001259275791 1045056818 /nfs/dbraw/zinc/05/68/18/1045056818.db2.gz XDXYTIVFXJANEW-UHFFFAOYSA-N -1 1 380.263 3.584 20 10 GHCDMM CCC(CC)(NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)c1nn[n-]n1 ZINC001297487839 1045538301 /nfs/dbraw/zinc/53/83/01/1045538301.db2.gz NKTZGNBSSSKOOE-UHFFFAOYSA-N -1 1 386.887 3.706 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(Cl)cc1C ZINC001261072437 1045887148 /nfs/dbraw/zinc/88/71/48/1045887148.db2.gz RJDPTTLVXRGROM-UHFFFAOYSA-N -1 1 388.232 3.647 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001305069501 1047871561 /nfs/dbraw/zinc/87/15/61/1047871561.db2.gz HSBMXRXFMXYFOL-UHFFFAOYSA-N -1 1 386.879 3.782 20 10 GHCDMM CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCc1cccc(Cl)c1[O-])CC2 ZINC001305084514 1047887203 /nfs/dbraw/zinc/88/72/03/1047887203.db2.gz KHWTUNRGNLZZGK-UHFFFAOYSA-N -1 1 380.872 3.594 20 10 GHCDMM O=C(NCc1ccc(COCc2ccccc2)cc1)c1c(F)ccc(O)c1[O-] ZINC001306362386 1048600410 /nfs/dbraw/zinc/60/04/10/1048600410.db2.gz UIPCNOGJCYRCEC-UHFFFAOYSA-N -1 1 381.403 3.884 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000752910815 1049344597 /nfs/dbraw/zinc/34/45/97/1049344597.db2.gz FLNLCSSSJJQHPZ-SFHVURJKSA-N -1 1 392.507 3.750 20 10 GHCDMM COc1cc(NC(C)=O)ccc1NCc1cc(Br)cc(F)c1[O-] ZINC001308337713 1049952166 /nfs/dbraw/zinc/95/21/66/1049952166.db2.gz UTTQCOFRRHSIML-UHFFFAOYSA-N -1 1 383.217 3.873 20 10 GHCDMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001311725896 1052358242 /nfs/dbraw/zinc/35/82/42/1052358242.db2.gz LALJJYDTZIXPAC-LBPRGKRZSA-N -1 1 376.840 3.595 20 10 GHCDMM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[nH]c(C(F)(F)F)c1 ZINC001321389697 1056244735 /nfs/dbraw/zinc/24/47/35/1056244735.db2.gz YWMWBNONMVKYNH-UHFFFAOYSA-N -1 1 375.155 3.847 20 10 GHCDMM Cn1ccnc1SCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001457038223 1062956880 /nfs/dbraw/zinc/95/68/80/1062956880.db2.gz OSZSCXLORHXOOA-UHFFFAOYSA-N -1 1 377.853 3.594 20 10 GHCDMM CC(C)(CNC(=O)c1c([O-])c(O)ccc1F)c1ccccc1Br ZINC001457714792 1063327346 /nfs/dbraw/zinc/32/73/46/1063327346.db2.gz BDSXVYXNRHGJJF-UHFFFAOYSA-N -1 1 382.229 3.707 20 10 GHCDMM CN(Cc1cc(Br)ccc1Cl)C(=O)c1c([O-])c(O)ccc1F ZINC001457746421 1063342758 /nfs/dbraw/zinc/34/27/58/1063342758.db2.gz PSXFAAJZQBKOJX-UHFFFAOYSA-N -1 1 388.620 3.925 20 10 GHCDMM CC(C)(C)OCc1ccccc1NC(=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC001349360771 1063677287 /nfs/dbraw/zinc/67/72/87/1063677287.db2.gz UZNOQDJGVGQMEE-UHFFFAOYSA-N -1 1 390.867 3.616 20 10 GHCDMM Cc1ccc(C2=NO[C@H](CNC(=O)NCc3cccc(Cl)c3[O-])C2)cc1C ZINC001469926973 1068474838 /nfs/dbraw/zinc/47/48/38/1068474838.db2.gz GRSXFHKMVWGBPC-INIZCTEOSA-N -1 1 387.867 3.655 20 10 GHCDMM O=C(N[C@H]1CSc2ccc(Br)cc21)c1c(F)ccc(O)c1[O-] ZINC001472554735 1073549461 /nfs/dbraw/zinc/54/94/61/1073549461.db2.gz UIVJCFPEJJBLMY-JTQLQIEISA-N -1 1 384.226 3.576 20 10 GHCDMM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000820570777 606393237 /nfs/dbraw/zinc/39/32/37/606393237.db2.gz RDQNGZMNVSDINH-ADVUTCEVSA-N -1 1 399.526 3.891 20 10 GHCDMM CC(C)(C)n1cc(Br)c(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890760982 836709804 /nfs/dbraw/zinc/70/98/04/836709804.db2.gz HHPRSRVZAHNZLI-UHFFFAOYSA-N -1 1 386.677 3.690 20 10 GHCDMM O=C(NCCc1nc(C(F)(F)F)cs1)NCc1cccc(Cl)c1[O-] ZINC000893338471 841598806 /nfs/dbraw/zinc/59/88/06/841598806.db2.gz NQCVGVXPCXCICV-UHFFFAOYSA-N -1 1 379.791 3.563 20 10 GHCDMM CCn1c(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n[n-]c1=S ZINC000067050768 843781733 /nfs/dbraw/zinc/78/17/33/843781733.db2.gz UEAGETBDKLLLEX-UHFFFAOYSA-N -1 1 389.912 3.952 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCOC2(CCOCC2)CC1 ZINC000894478192 851438004 /nfs/dbraw/zinc/43/80/04/851438004.db2.gz UIKKTFYRLIEMDU-UHFFFAOYSA-N -1 1 390.705 3.580 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000764766250 859594597 /nfs/dbraw/zinc/59/45/97/859594597.db2.gz GUALQIGJDUPKIZ-HIFRSBDPSA-N -1 1 379.229 3.649 20 10 GHCDMM CCOCc1ccccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764763189 859599297 /nfs/dbraw/zinc/59/92/97/859599297.db2.gz SHBBYHTYFZBRCZ-UHFFFAOYSA-N -1 1 393.281 3.691 20 10 GHCDMM CC(C)Oc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764764184 859600429 /nfs/dbraw/zinc/60/04/29/859600429.db2.gz YTLUJDZRECUQGQ-UHFFFAOYSA-N -1 1 393.281 3.941 20 10 GHCDMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782732 859602997 /nfs/dbraw/zinc/60/29/97/859602997.db2.gz IEZIOMZKLHMTLT-CRAIPNDOSA-N -1 1 375.266 3.684 20 10 GHCDMM CCOc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1OC ZINC000765214766 859842192 /nfs/dbraw/zinc/84/21/92/859842192.db2.gz QJHLNLMNKJCNKQ-UHFFFAOYSA-N -1 1 395.253 3.884 20 10 GHCDMM CCn1nc(NC(=O)NCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000765304586 859903407 /nfs/dbraw/zinc/90/34/07/859903407.db2.gz XVWVUXIDDXPJNH-UHFFFAOYSA-N -1 1 379.258 3.570 20 10 GHCDMM Cc1cc2c(cc1NC(=O)NCc1cccc(Br)c1[O-])OCO2 ZINC000765339872 859918262 /nfs/dbraw/zinc/91/82/62/859918262.db2.gz QOVOBEQDZVMKFK-UHFFFAOYSA-N -1 1 379.210 3.514 20 10 GHCDMM Cc1cccc(OCCC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765726335 860479458 /nfs/dbraw/zinc/47/94/58/860479458.db2.gz FYDYKGXARQXWHI-UHFFFAOYSA-N -1 1 378.266 3.857 20 10 GHCDMM CC(C)(Oc1ccc(F)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765735300 860520308 /nfs/dbraw/zinc/52/03/08/860520308.db2.gz GLVDGDXRIPAWCZ-UHFFFAOYSA-N -1 1 382.229 3.768 20 10 GHCDMM O=C(CCOc1ccccc1Cl)NCc1cccc(Br)c1[O-] ZINC000765748042 860561037 /nfs/dbraw/zinc/56/10/37/860561037.db2.gz UGFXHOFVABEQDE-UHFFFAOYSA-N -1 1 384.657 3.893 20 10 GHCDMM COCc1c2ccccc2oc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765750919 860565004 /nfs/dbraw/zinc/56/50/04/860565004.db2.gz NNXFWSKCFPPNCK-UHFFFAOYSA-N -1 1 390.233 3.977 20 10 GHCDMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1 ZINC000740605738 865967858 /nfs/dbraw/zinc/96/78/58/865967858.db2.gz VWTFNYNVKVMCNF-UHFFFAOYSA-N -1 1 388.533 3.913 20 10 GHCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c(Br)c1 ZINC000182491098 872448051 /nfs/dbraw/zinc/44/80/51/872448051.db2.gz LVBLWNFGXBJVOR-UHFFFAOYSA-N -1 1 376.659 3.917 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CC(=O)c2ccccc2)c1[O-] ZINC000770665620 874810584 /nfs/dbraw/zinc/81/05/84/874810584.db2.gz RIGJXDFXOPCRIV-GOSISDBHSA-N -1 1 387.863 3.722 20 10 GHCDMM CC[C@H](C)[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000772522284 875994436 /nfs/dbraw/zinc/99/44/36/875994436.db2.gz HDPHRMUHZLJNDA-UFBFGSQYSA-N -1 1 383.208 3.931 20 10 GHCDMM COC(=O)c1c[n-]c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000776433930 876489751 /nfs/dbraw/zinc/48/97/51/876489751.db2.gz NEYAFYKPDIUERT-UHFFFAOYSA-N -1 1 387.436 3.718 20 10 GHCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C(C)C ZINC000788490942 878098796 /nfs/dbraw/zinc/09/87/96/878098796.db2.gz BOFBPIDMQZYNJZ-UHFFFAOYSA-N -1 1 377.462 3.836 20 10 GHCDMM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1c([O-])c(O)ccc1F ZINC000789965828 879369149 /nfs/dbraw/zinc/36/91/49/879369149.db2.gz FDJQITSPFLCADV-SNVBAGLBSA-N -1 1 382.229 3.751 20 10 GHCDMM COc1cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])ccc1OCC(C)C ZINC000790068863 879413745 /nfs/dbraw/zinc/41/37/45/879413745.db2.gz GOTUPDWCCXKQGH-GFCCVEGCSA-N -1 1 377.412 3.771 20 10 GHCDMM CC1(C)COc2c1cccc2C(=O)NCc1cccc(Br)c1[O-] ZINC000790065818 879439554 /nfs/dbraw/zinc/43/95/54/879439554.db2.gz WBWHLXUGSSUEFB-UHFFFAOYSA-N -1 1 376.250 3.755 20 10 GHCDMM C[C@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])[C@@H]1CO ZINC001203565211 912465290 /nfs/dbraw/zinc/46/52/90/912465290.db2.gz WMERWMXRGZTOJX-TVQRCGJNSA-N -1 1 393.119 3.510 20 10 GHCDMM O=c1cc(NCc2cc(Cl)c3cccnc3c2[O-])ccn1-c1cccnc1 ZINC001168525416 883609575 /nfs/dbraw/zinc/60/95/75/883609575.db2.gz CPFUEKXHMNNNTG-UHFFFAOYSA-N -1 1 378.819 3.752 20 10 GHCDMM C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)c3ccc([O-])cc3)cc2Cl)C1 ZINC000807477088 885501426 /nfs/dbraw/zinc/50/14/26/885501426.db2.gz OWLHNCMTCSICNX-AWEZNQCLSA-N -1 1 386.879 3.781 20 10 GHCDMM COCc1nc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])cs1 ZINC000810253321 888356503 /nfs/dbraw/zinc/35/65/03/888356503.db2.gz QVKKPCPULCNNMG-QMMMGPOBSA-N -1 1 375.263 3.748 20 10 GHCDMM CC[C@@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866628279 888979253 /nfs/dbraw/zinc/97/92/53/888979253.db2.gz IIPVJBXNWMFSKR-GFCCVEGCSA-N -1 1 384.263 3.508 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000774833252 913689380 /nfs/dbraw/zinc/68/93/80/913689380.db2.gz NEKABRXMOWMNQT-INIZCTEOSA-N -1 1 378.812 3.536 20 10 GHCDMM CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(F)c(F)c3[O-])CC2)cs1 ZINC000876806175 893337877 /nfs/dbraw/zinc/33/78/77/893337877.db2.gz LZRAUSJGEDWOBS-ZDUSSCGKSA-N -1 1 397.491 3.542 20 10 GHCDMM Cc1c(CNC(=O)OC(C)(C)C)c(NCc2cc(Cl)cc(F)c2[O-])nn1C ZINC000826685234 904923793 /nfs/dbraw/zinc/92/37/93/904923793.db2.gz AZKZLANMKHCFMS-UHFFFAOYSA-N -1 1 398.866 3.863 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn(Cc4cccnc4)c3)c([O-])cc21 ZINC001176456037 908118134 /nfs/dbraw/zinc/11/81/34/908118134.db2.gz BCWVYUZQWHJJDN-UHFFFAOYSA-N -1 1 396.406 3.551 20 10 GHCDMM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409905 910151508 /nfs/dbraw/zinc/15/15/08/910151508.db2.gz IGAQZDDUKVIJPU-KRWDZBQOSA-N -1 1 390.867 3.613 20 10 GHCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1 ZINC001187466558 915279613 /nfs/dbraw/zinc/27/96/13/915279613.db2.gz ZPOGABZNRAJDQA-UHFFFAOYSA-N -1 1 376.478 3.505 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c(C)cc1O ZINC001189036692 916357279 /nfs/dbraw/zinc/35/72/79/916357279.db2.gz WQPHVTPXJFUVAO-UHFFFAOYSA-N -1 1 392.221 3.851 20 10 GHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cc(Br)ccc1Cl ZINC001189756676 916880847 /nfs/dbraw/zinc/88/08/47/916880847.db2.gz MJFVHGLXDNOJNN-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000903339734 922941319 /nfs/dbraw/zinc/94/13/19/922941319.db2.gz CEAUAGZJWXMZJE-ZETCQYMHSA-N -1 1 396.182 3.897 20 10 GHCDMM COc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1-n1nnnc1C1CC1 ZINC000757615839 929745673 /nfs/dbraw/zinc/74/56/73/929745673.db2.gz ZFWUUNJNLLRAAT-SNVBAGLBSA-N -1 1 387.390 3.705 20 10 GHCDMM CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1O ZINC000781977036 931049104 /nfs/dbraw/zinc/04/91/04/931049104.db2.gz HVRXIHSAQQOMIU-UHFFFAOYSA-N -1 1 380.460 3.613 20 10 GHCDMM O=C(COC(=O)c1cc(Cl)ccc1Br)c1ccc([O-])c(O)c1 ZINC000782676716 931299458 /nfs/dbraw/zinc/29/94/58/931299458.db2.gz LMRBGLSEXKISJF-UHFFFAOYSA-N -1 1 385.597 3.553 20 10 GHCDMM O=C(COC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc([O-])c(O)c1 ZINC000783099909 931412996 /nfs/dbraw/zinc/41/29/96/931412996.db2.gz UTJLIHHAAAIBSC-UHFFFAOYSA-N -1 1 377.805 3.848 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc([O-])c(O)c1 ZINC000783540816 931576440 /nfs/dbraw/zinc/57/64/40/931576440.db2.gz DHJTZHFBHAXUHK-CHWSQXEVSA-N -1 1 381.211 3.934 20 10 GHCDMM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784117801 931789581 /nfs/dbraw/zinc/78/95/81/931789581.db2.gz IUEQIGASXNFYME-UHFFFAOYSA-N -1 1 394.427 3.621 20 10 GHCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Br)cc1 ZINC000784260871 931838650 /nfs/dbraw/zinc/83/86/50/931838650.db2.gz GPAIPTOMQCOUQF-LLVKDONJSA-N -1 1 393.233 3.780 20 10 GHCDMM O=C(CCCn1ccc2cc(Cl)ccc21)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784418729 931886896 /nfs/dbraw/zinc/88/68/96/931886896.db2.gz KSEYCDYKDOATMY-UHFFFAOYSA-N -1 1 387.819 3.912 20 10 GHCDMM CCN(CC)S(=O)(=O)c1cc(NCc2cccc(Cl)c2[O-])ccc1C ZINC000798182297 932555374 /nfs/dbraw/zinc/55/53/74/932555374.db2.gz DWDOLCYOEBWDDL-UHFFFAOYSA-N -1 1 382.913 3.997 20 10 GHCDMM CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1cc(Br)ccc1O ZINC000799734015 933102964 /nfs/dbraw/zinc/10/29/64/933102964.db2.gz WBAJBJRLYAUBLF-UHFFFAOYSA-N -1 1 378.192 3.919 20 10 GHCDMM Cn1c(Cl)cnc1-c1csc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001626274202 1014814743 /nfs/dbraw/zinc/81/47/43/1014814743.db2.gz NESUSGHVZNPRGH-UHFFFAOYSA-N -1 1 398.275 3.878 20 10 GHCDMM O=C(c1c([O-])cnc2ccc(Br)cc21)N1CCc2cccc(O)c2C1 ZINC001154537667 1032170575 /nfs/dbraw/zinc/17/05/75/1032170575.db2.gz CUDQYMDJWGXSQK-UHFFFAOYSA-N -1 1 399.244 3.607 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(Cl)cc2[O-])CC(F)(F)C1 ZINC001140464520 1021755792 /nfs/dbraw/zinc/75/57/92/1021755792.db2.gz SSYIGFWRQSOYJX-CYBMUJFWSA-N -1 1 376.831 3.780 20 10 GHCDMM O=C1OC[C@@H](c2ccccc2)N1C1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583113 1022004277 /nfs/dbraw/zinc/00/42/77/1022004277.db2.gz WKUGULTYVOSPNA-IBGZPJMESA-N -1 1 388.414 3.828 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nc(C)c(C)s3)CC2)c1[O-] ZINC000754348882 1022634531 /nfs/dbraw/zinc/63/45/31/1022634531.db2.gz IOVPJIGGKGSRTE-UHFFFAOYSA-N -1 1 379.913 3.644 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1cccc(N2CCOCC2)c1 ZINC001461087097 1069382223 /nfs/dbraw/zinc/38/22/23/1069382223.db2.gz LIPYJYVUSOWWSD-UHFFFAOYSA-N -1 1 381.245 3.743 20 10 GHCDMM O=S(=O)(c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1)N1CCCC1 ZINC001203603778 1027467622 /nfs/dbraw/zinc/46/76/22/1027467622.db2.gz VYCWPYLGSXIWCH-UHFFFAOYSA-N -1 1 384.860 3.581 20 10 GHCDMM CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC001203635692 1027494413 /nfs/dbraw/zinc/49/44/13/1027494413.db2.gz DQIUHWFYRSKFDD-IUODEOHRSA-N -1 1 397.313 3.596 20 10 GHCDMM CN1CCN(c2ccc(CNc3cc4ccccc4c(C(=O)[O-])c3)cc2)CC1 ZINC000841805630 1028952662 /nfs/dbraw/zinc/95/26/62/1028952662.db2.gz RPXQFQXNNBBJRH-UHFFFAOYSA-N -1 1 375.472 3.902 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000842614366 1029415236 /nfs/dbraw/zinc/41/52/36/1029415236.db2.gz HRZXHQQRCQEDMG-XLIONFOSSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000842614366 1029415242 /nfs/dbraw/zinc/41/52/42/1029415242.db2.gz HRZXHQQRCQEDMG-XLIONFOSSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c(O)c([O-])cc(O[C@@H]3COCc4ccccc43)c21 ZINC001229198049 1033335327 /nfs/dbraw/zinc/33/53/27/1033335327.db2.gz UYGLBDHPKYRCEC-GOSISDBHSA-N -1 1 388.375 3.524 20 10 GHCDMM C[C@@H]1CC[C@@H](C)[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229787825 1033714440 /nfs/dbraw/zinc/71/44/40/1033714440.db2.gz XOYNQFVTQCZZNI-CZIZLABSSA-N -1 1 388.416 3.649 20 10 GHCDMM CC[C@H]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001229791277 1033717630 /nfs/dbraw/zinc/71/76/30/1033717630.db2.gz MMEAGESZRYRCLI-AULYBMBSSA-N -1 1 388.416 3.793 20 10 GHCDMM CCOC(=O)CC1CC(Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229829212 1033739488 /nfs/dbraw/zinc/73/94/88/1033739488.db2.gz OOJKIBTXHRQEKO-UHFFFAOYSA-N -1 1 394.423 3.587 20 10 GHCDMM O=C(CNc1ccc(C(=O)Nc2cccc(Cl)c2)cn1)c1ccc([O-])c(O)c1 ZINC001159280344 1034520389 /nfs/dbraw/zinc/52/03/89/1034520389.db2.gz MBHLHKIAASICOC-UHFFFAOYSA-N -1 1 397.818 3.693 20 10 GHCDMM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1c(F)ccc(O)c1[O-] ZINC001160651250 1035025208 /nfs/dbraw/zinc/02/52/08/1035025208.db2.gz UKIWBYACIMVPGV-UHFFFAOYSA-N -1 1 379.387 3.769 20 10 GHCDMM CCc1nnc(C2CCN(Cc3c([O-])cc(Br)cc3F)CC2)o1 ZINC001233029188 1038780766 /nfs/dbraw/zinc/78/07/66/1038780766.db2.gz AYQZHIIHBLARFC-UHFFFAOYSA-N -1 1 384.249 3.619 20 10 GHCDMM O=C1CN(Cc2cccc(C(F)(F)F)c2[O-])CCN1c1ccccc1Cl ZINC001233419574 1039282928 /nfs/dbraw/zinc/28/29/28/1039282928.db2.gz DWFBZVPOGHSIOZ-UHFFFAOYSA-N -1 1 384.785 3.913 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C ZINC001234474023 1040056231 /nfs/dbraw/zinc/05/62/31/1040056231.db2.gz NBDVBJVOEGREAY-NZAYIMIOSA-N -1 1 395.427 3.558 20 10 GHCDMM CCOC(=O)C(F)(F)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccccc1 ZINC001234475646 1040059154 /nfs/dbraw/zinc/05/91/54/1040059154.db2.gz HKNNTQFJUNJGFL-KRWDZBQOSA-N -1 1 380.343 3.619 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC(O)(Cc2ccccc2)CC1 ZINC001235297542 1040768587 /nfs/dbraw/zinc/76/85/87/1040768587.db2.gz NAPMQXCKNRVOPM-UHFFFAOYSA-N -1 1 394.284 3.863 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001235299914 1040771984 /nfs/dbraw/zinc/77/19/84/1040771984.db2.gz WGVDPDQTWAPERA-ZDUSSCGKSA-N -1 1 386.183 3.573 20 10 GHCDMM O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277992537 1041799562 /nfs/dbraw/zinc/79/95/62/1041799562.db2.gz JPLDYJWNALUIEB-HNNXBMFYSA-N -1 1 397.224 3.828 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2[C@@H](CO)CCC[C@H]2C(F)(F)F)c1 ZINC001236662556 1041810228 /nfs/dbraw/zinc/81/02/28/1041810228.db2.gz FJIWJRKZTGWPHM-YPMHNXCESA-N -1 1 382.220 3.741 20 10 GHCDMM COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236805198 1041906622 /nfs/dbraw/zinc/90/66/22/1041906622.db2.gz WXMKHNLEWXVGMA-ROUUACIJSA-N -1 1 396.270 3.814 20 10 GHCDMM CCOC(=O)Cc1ccc2c(c1)CN(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001237617939 1042284064 /nfs/dbraw/zinc/28/40/64/1042284064.db2.gz VHEADPOMHHSRLQ-UHFFFAOYSA-N -1 1 377.843 3.849 20 10 GHCDMM C[C@H]1CC[C@H](CO)CN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237784156 1042367536 /nfs/dbraw/zinc/36/75/36/1042367536.db2.gz RHLZHWLDNWZTLK-UWVGGRQHSA-N -1 1 382.220 3.766 20 10 GHCDMM O=C1c2cccc(F)c2CN1[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237802134 1042378523 /nfs/dbraw/zinc/37/85/23/1042378523.db2.gz LBQRQCKBOPLEMR-CYBMUJFWSA-N -1 1 378.806 3.554 20 10 GHCDMM C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237938186 1042428816 /nfs/dbraw/zinc/42/88/16/1042428816.db2.gz VZQXKBULUCDBEW-LBPRGKRZSA-N -1 1 379.863 3.885 20 10 GHCDMM O=C(c1ccccc1)c1ccc(Br)cc1[N-]S(=O)(=O)C1CC1 ZINC001259276621 1045057521 /nfs/dbraw/zinc/05/75/21/1045057521.db2.gz WDIRBBSPCWVTBV-UHFFFAOYSA-N -1 1 380.263 3.584 20 10 GHCDMM O=C(Cc1ccsc1)N1CC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001279664024 1047903629 /nfs/dbraw/zinc/90/36/29/1047903629.db2.gz OHQJDDWLEYXPIU-UHFFFAOYSA-N -1 1 397.327 3.647 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(CNCc2nn(-c3ccccc3)c3c2CCC3)c1[O-] ZINC000725846833 1048232212 /nfs/dbraw/zinc/23/22/12/1048232212.db2.gz UUYBMSBFZPGMIV-UHFFFAOYSA-N -1 1 398.850 3.918 20 10 GHCDMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1 ZINC000753777984 1049876045 /nfs/dbraw/zinc/87/60/45/1049876045.db2.gz AUWOWRPKVPSHEL-UHFFFAOYSA-N -1 1 381.425 3.771 20 10 GHCDMM CC(C)CCNS(=O)(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001308517247 1049996538 /nfs/dbraw/zinc/99/65/38/1049996538.db2.gz UJHXCMOBKDSGOP-UHFFFAOYSA-N -1 1 384.448 3.607 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1ccc2nc(Cl)sc2c1 ZINC001309940806 1051061487 /nfs/dbraw/zinc/06/14/87/1051061487.db2.gz MWCGGZGHWJCTDL-UHFFFAOYSA-N -1 1 389.285 3.787 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001346970993 1062018646 /nfs/dbraw/zinc/01/86/46/1062018646.db2.gz NMTMOJUPKSBEFV-UZLBHIALSA-N -1 1 388.851 3.528 20 10 GHCDMM Cc1oc(-c2ccco2)nc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765733592 1068120156 /nfs/dbraw/zinc/12/01/56/1068120156.db2.gz YYFCHXODHVOSFW-UHFFFAOYSA-N -1 1 391.221 3.570 20 10 GHCDMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001469566822 1068228970 /nfs/dbraw/zinc/22/89/70/1068228970.db2.gz SMXGDDGYOXUIEO-KZULUSFZSA-N -1 1 378.856 3.630 20 10 GHCDMM [O-]c1cc(Cl)ccc1CN1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC001474712521 1074529737 /nfs/dbraw/zinc/52/97/37/1074529737.db2.gz XMPYRLSQHSDQTE-UHFFFAOYSA-N -1 1 389.286 3.897 20 10 GHCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cccs2)cs1 ZINC000738347239 600051832 /nfs/dbraw/zinc/05/18/32/600051832.db2.gz HKVTUYRTQRJMBW-UHFFFAOYSA-N -1 1 380.472 3.679 20 10 GHCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000833420617 604863763 /nfs/dbraw/zinc/86/37/63/604863763.db2.gz WQRXNNFYYYDUJU-INIZCTEOSA-N -1 1 397.471 3.652 20 10 GHCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000833420617 604863765 /nfs/dbraw/zinc/86/37/65/604863765.db2.gz WQRXNNFYYYDUJU-INIZCTEOSA-N -1 1 397.471 3.652 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000892359383 835070000 /nfs/dbraw/zinc/07/00/00/835070000.db2.gz MRVAPYDYVRFKJQ-LBPRGKRZSA-N -1 1 389.839 3.563 20 10 GHCDMM COc1ccc2c(c1)C[N@@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])CC2 ZINC000728197630 835096744 /nfs/dbraw/zinc/09/67/44/835096744.db2.gz GEBOAWBEJMEHLA-UHFFFAOYSA-N -1 1 389.451 3.896 20 10 GHCDMM COc1ccc2c(c1)C[N@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])CC2 ZINC000728197630 835096752 /nfs/dbraw/zinc/09/67/52/835096752.db2.gz GEBOAWBEJMEHLA-UHFFFAOYSA-N -1 1 389.451 3.896 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(c2ccc(F)cc2F)CCOCC1 ZINC000890760096 836696901 /nfs/dbraw/zinc/69/69/01/836696901.db2.gz HSJAGVBMQQWIPJ-UHFFFAOYSA-N -1 1 381.806 3.688 20 10 GHCDMM O=C(CCCOc1cccc2ccccc21)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782935234 838456407 /nfs/dbraw/zinc/45/64/07/838456407.db2.gz XOSPXBJRVIXBKD-UHFFFAOYSA-N -1 1 380.396 3.836 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc([C@H]2CCOC2)c1 ZINC000277612591 847291485 /nfs/dbraw/zinc/29/14/85/847291485.db2.gz VMZLIYFHNBBLQQ-HNNXBMFYSA-N -1 1 376.250 3.589 20 10 GHCDMM O=C(c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1)N1CCC(CO)CC1 ZINC000892297357 848264347 /nfs/dbraw/zinc/26/43/47/848264347.db2.gz KEUVAWZZMXRZNN-UHFFFAOYSA-N -1 1 392.858 3.641 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1COc2ccc(Cl)cc2C1 ZINC000765754694 856073231 /nfs/dbraw/zinc/07/32/31/856073231.db2.gz VXLFCRALAFUYFP-GFCCVEGCSA-N -1 1 396.668 3.676 20 10 GHCDMM COC(=O)c1cccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc2C)c1 ZINC001170316718 881346998 /nfs/dbraw/zinc/34/69/98/881346998.db2.gz ZYFOXCZPUWUXFR-UHFFFAOYSA-N -1 1 392.411 3.550 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000764799973 859613870 /nfs/dbraw/zinc/61/38/70/859613870.db2.gz OEZNNQKPRRVMKE-UXLLHSPISA-N -1 1 387.277 3.540 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccn(-c2ccccc2)n1 ZINC000765215313 859843101 /nfs/dbraw/zinc/84/31/01/859843101.db2.gz TZGBOJCSBUVVOZ-UHFFFAOYSA-N -1 1 387.237 3.662 20 10 GHCDMM CCn1ncc2ccc(NC(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000765257216 859874193 /nfs/dbraw/zinc/87/41/93/859874193.db2.gz GKWPWOJGTIAFME-UHFFFAOYSA-N -1 1 389.253 3.846 20 10 GHCDMM [O-]c1cccc(Cl)c1CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC000895731859 859884396 /nfs/dbraw/zinc/88/43/96/859884396.db2.gz RMRZLZLRCJYDIZ-UHFFFAOYSA-N -1 1 390.821 3.522 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCc2ccccc2C1 ZINC000765478098 859988083 /nfs/dbraw/zinc/98/80/83/859988083.db2.gz IMWBCOSEBONNLC-HNNXBMFYSA-N -1 1 375.266 3.511 20 10 GHCDMM CCOc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765476365 859988159 /nfs/dbraw/zinc/98/81/59/859988159.db2.gz MTZLVSWNIBQSGP-UHFFFAOYSA-N -1 1 379.254 3.553 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000765731708 860500631 /nfs/dbraw/zinc/50/06/31/860500631.db2.gz KPRFXJBWKGOQJQ-QWRGUYRKSA-N -1 1 382.204 3.853 20 10 GHCDMM CCO[C@@H](C)c1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765729619 860505601 /nfs/dbraw/zinc/50/56/01/860505601.db2.gz QKUHLBJHLFRIBH-VIFPVBQESA-N -1 1 385.283 3.639 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000792702917 881628435 /nfs/dbraw/zinc/62/84/35/881628435.db2.gz IWCCYXBWTZFGPQ-UHFFFAOYSA-N -1 1 394.518 3.900 20 10 GHCDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000744693008 869016047 /nfs/dbraw/zinc/01/60/47/869016047.db2.gz UOBGWQWDTASHSR-UHFFFAOYSA-N -1 1 378.428 3.797 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000793748909 882404682 /nfs/dbraw/zinc/40/46/82/882404682.db2.gz VKZUACNOXDMPTO-SFHVURJKSA-N -1 1 381.472 3.577 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000793748909 882404684 /nfs/dbraw/zinc/40/46/84/882404684.db2.gz VKZUACNOXDMPTO-SFHVURJKSA-N -1 1 381.472 3.577 20 10 GHCDMM Cc1nc(-c2ccc(NCc3ccc(N4CCCC4)cc3)nc2)[n-]c(=O)c1C ZINC000174680879 871117617 /nfs/dbraw/zinc/11/76/17/871117617.db2.gz GHZQJXACERKZAP-UHFFFAOYSA-N -1 1 375.476 3.661 20 10 GHCDMM CC(C)CN1C(=O)C(=CNc2cccc(Nc3ccccc3)c2)C(=O)[N-]C1=S ZINC000920979082 882497038 /nfs/dbraw/zinc/49/70/38/882497038.db2.gz UCCVPTKHWYGOSX-LDADJPATSA-N -1 1 394.500 3.625 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)ccc1O ZINC001194161477 871519557 /nfs/dbraw/zinc/51/95/57/871519557.db2.gz CTRVEYXKWLREGO-UHFFFAOYSA-N -1 1 389.454 3.708 20 10 GHCDMM Cc1c(C)c([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)ccc1O ZINC001194372081 871643248 /nfs/dbraw/zinc/64/32/48/871643248.db2.gz LXDPPXGOPANQGT-UHFFFAOYSA-N -1 1 378.837 3.717 20 10 GHCDMM C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000857875581 882605535 /nfs/dbraw/zinc/60/55/35/882605535.db2.gz ULBJHERAQIVHBJ-DYZYQPBXSA-N -1 1 393.256 3.658 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000742161829 872809319 /nfs/dbraw/zinc/80/93/19/872809319.db2.gz SKLJYJOZPGUPLX-UHFFFAOYSA-N -1 1 381.472 3.721 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000742161829 872809335 /nfs/dbraw/zinc/80/93/35/872809335.db2.gz SKLJYJOZPGUPLX-UHFFFAOYSA-N -1 1 381.472 3.721 20 10 GHCDMM CCOC(=O)[C@@H](Cc1ccccc1)NCc1cc(C)cc(Br)c1[O-] ZINC000789514860 879034472 /nfs/dbraw/zinc/03/44/72/879034472.db2.gz DYRVWRWYDUTRRY-QGZVFWFLSA-N -1 1 392.293 3.727 20 10 GHCDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000805606910 883908600 /nfs/dbraw/zinc/90/86/00/883908600.db2.gz CSILAPPIZLHJGX-UHFFFAOYSA-N -1 1 393.230 3.559 20 10 GHCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1Br ZINC000794594145 887617308 /nfs/dbraw/zinc/61/73/08/887617308.db2.gz JOAIIZFPIIEDFE-UHFFFAOYSA-N -1 1 386.267 3.527 20 10 GHCDMM O=C([O-])[C@H](CCCc1ccccc1)[NH2+]Cc1c([O-])cccc1Br ZINC000864507077 887812181 /nfs/dbraw/zinc/81/21/81/887812181.db2.gz HDGGLZDMELULMM-INIZCTEOSA-N -1 1 378.266 3.720 20 10 GHCDMM Cc1ccc(C[C@@H]([NH2+]Cc2c([O-])cccc2Br)C(=O)[O-])cc1C ZINC000864516707 887820592 /nfs/dbraw/zinc/82/05/92/887820592.db2.gz PFNBWTIVADXWSE-MRXNPFEDSA-N -1 1 378.266 3.557 20 10 GHCDMM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccc1O ZINC000794759214 888022513 /nfs/dbraw/zinc/02/25/13/888022513.db2.gz HBIMGKYZPXXSKS-UHFFFAOYSA-N -1 1 395.742 3.563 20 10 GHCDMM CC[C@H]1NC(=O)N(c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)C1=O ZINC000816596871 894960413 /nfs/dbraw/zinc/96/04/13/894960413.db2.gz VEJWBTXQTPOLDI-OAHLLOKOSA-N -1 1 377.803 3.632 20 10 GHCDMM COc1cc2c(cc1Cl)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000816665122 895010034 /nfs/dbraw/zinc/01/00/34/895010034.db2.gz SZJYAQVRFJCREO-UHFFFAOYSA-N -1 1 378.812 3.529 20 10 GHCDMM CO[C@@H](C)c1nc(CNCc2cc(Br)cc(F)c2[O-])cs1 ZINC000883032633 897218466 /nfs/dbraw/zinc/21/84/66/897218466.db2.gz PHIGOQCHWWWOJK-QMMMGPOBSA-N -1 1 375.263 3.748 20 10 GHCDMM O=C(c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCCC[C@H]1CCO ZINC000883054257 897236181 /nfs/dbraw/zinc/23/61/81/897236181.db2.gz AXKDKARRTFPAJL-SFHVURJKSA-N -1 1 390.430 3.660 20 10 GHCDMM CCN(C(C)=O)c1ccc(NCc2cc(Br)cc(F)c2[O-])cn1 ZINC000883167375 897335722 /nfs/dbraw/zinc/33/57/22/897335722.db2.gz WZWWVDOYBFKAFR-UHFFFAOYSA-N -1 1 382.233 3.674 20 10 GHCDMM CO[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C[C@H]1C ZINC000824815705 899823445 /nfs/dbraw/zinc/82/34/45/899823445.db2.gz XDAJBUWHJYRDNZ-NOZJJQNGSA-N -1 1 393.119 3.774 20 10 GHCDMM Cc1ccc(N(CC(C)C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000846299681 902860890 /nfs/dbraw/zinc/86/08/90/902860890.db2.gz ULSMUHDEBMSNQC-UHFFFAOYSA-N -1 1 390.505 3.683 20 10 GHCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148989625 904275480 /nfs/dbraw/zinc/27/54/80/904275480.db2.gz RKDSAXHSYMDVDX-UHFFFAOYSA-N -1 1 393.281 3.589 20 10 GHCDMM COc1c([O-])c(CN[C@@H](CCc2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775058099 914873189 /nfs/dbraw/zinc/87/31/89/914873189.db2.gz SVTXDIHOBWQWDG-HNNXBMFYSA-N -1 1 384.354 3.962 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000190185627 905840308 /nfs/dbraw/zinc/84/03/08/905840308.db2.gz GSBVTCMNHDUDEC-OAQYLSRUSA-N -1 1 381.472 3.720 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000192154978 907482963 /nfs/dbraw/zinc/48/29/63/907482963.db2.gz ZFWTWXZZHFANPE-UHFFFAOYSA-N -1 1 393.465 3.548 20 10 GHCDMM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001180410492 910151274 /nfs/dbraw/zinc/15/12/74/910151274.db2.gz QOHDJDKQEWMYSL-SWLSCSKDSA-N -1 1 382.888 3.697 20 10 GHCDMM CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccccc3O)c2o1 ZINC001188197810 915807291 /nfs/dbraw/zinc/80/72/91/915807291.db2.gz UIYVLIDFSAEKOP-UHFFFAOYSA-N -1 1 394.880 3.963 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001188234266 915849328 /nfs/dbraw/zinc/84/93/28/915849328.db2.gz AZACMLPNZPCSCN-UHFFFAOYSA-N -1 1 388.729 3.774 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000295479713 917324804 /nfs/dbraw/zinc/32/48/04/917324804.db2.gz PNKFBSURWBSZJC-NSHDSACASA-N -1 1 376.453 3.592 20 10 GHCDMM COc1cccc(C2(C(=O)NCc3cccc(Br)c3[O-])CC2)c1 ZINC000803212436 922787946 /nfs/dbraw/zinc/78/79/46/922787946.db2.gz CGKPGIGDLYIXGA-UHFFFAOYSA-N -1 1 376.250 3.511 20 10 GHCDMM C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(Br)c(F)cc1[O-] ZINC000757610787 929743965 /nfs/dbraw/zinc/74/39/65/929743965.db2.gz HRYWINXNNLIUQV-SECBINFHSA-N -1 1 379.229 3.753 20 10 GHCDMM COc1cc(OC)cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000758162044 929954167 /nfs/dbraw/zinc/95/41/67/929954167.db2.gz FJILNVRAMNYKBI-UHFFFAOYSA-N -1 1 378.233 3.517 20 10 GHCDMM CCO[C@@H](C)c1noc(CN(C)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000781907079 931022896 /nfs/dbraw/zinc/02/28/96/931022896.db2.gz CVDARSBXPWZLFH-NSHDSACASA-N -1 1 384.274 3.576 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000924320785 931323215 /nfs/dbraw/zinc/32/32/15/931323215.db2.gz YIVNNFFZXIWNLS-VGPLMAKISA-N -1 1 385.327 3.628 20 10 GHCDMM O=C(COC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)c1ccc([O-])c(O)c1 ZINC000782956825 931375251 /nfs/dbraw/zinc/37/52/51/931375251.db2.gz VSPOEGZIQICRCC-UHFFFAOYSA-N -1 1 380.183 3.926 20 10 GHCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1C(F)(F)F ZINC000783864130 931696787 /nfs/dbraw/zinc/69/67/87/931696787.db2.gz VARDTLXZGCZMKU-FLIBITNWSA-N -1 1 380.318 3.946 20 10 GHCDMM O=C(COC(=O)c1cc2ccccc2cc1OC(F)F)c1ccc([O-])c(O)c1 ZINC000784427835 931890931 /nfs/dbraw/zinc/89/09/31/931890931.db2.gz MQYBHVBFASJJGK-UHFFFAOYSA-N -1 1 388.322 3.892 20 10 GHCDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784537872 931929080 /nfs/dbraw/zinc/92/90/80/931929080.db2.gz LWUXSJUTAWAOOQ-UHFFFAOYSA-N -1 1 391.401 3.546 20 10 GHCDMM Cc1ccc([C@H](NCc2cc(Cl)cc(F)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088671 932525380 /nfs/dbraw/zinc/52/53/80/932525380.db2.gz RODWQHRQHZZLGY-SJKOYZFVSA-N -1 1 385.888 3.757 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)ccc1O ZINC000799123975 932883488 /nfs/dbraw/zinc/88/34/88/932883488.db2.gz DSELDVZGXMGSPX-UHFFFAOYSA-N -1 1 376.659 3.917 20 10 GHCDMM O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NCc1cccc(Cl)c1[O-] ZINC001221206113 1032330687 /nfs/dbraw/zinc/33/06/87/1032330687.db2.gz OXJHZNOEQREPPN-UHFFFAOYSA-N -1 1 396.878 3.719 20 10 GHCDMM Nc1ccccc1N(C(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1ccccc1 ZINC001155227960 1032464462 /nfs/dbraw/zinc/46/44/62/1032464462.db2.gz IONCTKNOMFVFTA-UHFFFAOYSA-N -1 1 388.379 3.765 20 10 GHCDMM C[C@@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)C12CC3CC(CC(C3)C1)C2 ZINC001155232701 1032465219 /nfs/dbraw/zinc/46/52/19/1032465219.db2.gz VOONBLDVFXEWDB-IURGJNOSSA-N -1 1 383.444 3.539 20 10 GHCDMM O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227937173 1032705286 /nfs/dbraw/zinc/70/52/86/1032705286.db2.gz DJILNLNUCGGLMZ-LJQANCHMSA-N -1 1 389.451 3.982 20 10 GHCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC3CCSCC3)c21 ZINC001228194983 1032833573 /nfs/dbraw/zinc/83/35/73/1032833573.db2.gz SHKCISLNDXYSSA-KRWDZBQOSA-N -1 1 388.441 3.784 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC001141370872 1024750773 /nfs/dbraw/zinc/75/07/73/1024750773.db2.gz ARXUTCHSZMZZEL-CQSZACIVSA-N -1 1 383.673 3.856 20 10 GHCDMM COc1cccc2c(C(=O)NCc3cccc(Br)c3[O-])coc21 ZINC001139975270 1026772850 /nfs/dbraw/zinc/77/28/50/1026772850.db2.gz YWVWQJIFVFACHS-UHFFFAOYSA-N -1 1 376.206 3.840 20 10 GHCDMM CCc1[nH]nc2ncc(Nc3cc4c(cc3[O-])C(=O)c3ccccc3C4=O)cc21 ZINC001210885758 1027692582 /nfs/dbraw/zinc/69/25/82/1027692582.db2.gz ROHVCEPMOMNEQE-UHFFFAOYSA-N -1 1 384.395 3.745 20 10 GHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(N2CCCCC2)c(Br)c1 ZINC000840713335 1027752036 /nfs/dbraw/zinc/75/20/36/1027752036.db2.gz RKTHFPZSKBOBNL-LCYFTJDESA-N -1 1 383.336 3.928 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CNc1cnc2ccnn2c1 ZINC001204027386 1027820724 /nfs/dbraw/zinc/82/07/24/1027820724.db2.gz GXQLXCWCSMRGCN-UHFFFAOYSA-N -1 1 398.058 3.572 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN1CCc2c(COCc3ccccn3)cncc2C1 ZINC001142517466 1029022154 /nfs/dbraw/zinc/02/21/54/1029022154.db2.gz OINQHMMURDJBQJ-UHFFFAOYSA-N -1 1 397.425 3.736 20 10 GHCDMM O=C(NCCCCC(=O)OCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001226056856 1031761903 /nfs/dbraw/zinc/76/19/03/1031761903.db2.gz GFPSSGMERRXBJU-UHFFFAOYSA-N -1 1 390.867 3.759 20 10 GHCDMM CN1CCC[C@H](OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC001229414208 1033469495 /nfs/dbraw/zinc/46/94/95/1033469495.db2.gz JWXFMCZNWUUXIQ-CVTQAYBASA-N -1 1 391.449 3.527 20 10 GHCDMM CC[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)(C)C ZINC001229785093 1033711757 /nfs/dbraw/zinc/71/17/57/1033711757.db2.gz DFEXEVONEXGPJL-OAHLLOKOSA-N -1 1 376.405 3.649 20 10 GHCDMM CCCC[C@@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785251 1033711946 /nfs/dbraw/zinc/71/19/46/1033711946.db2.gz GFTWCHNXGFVPKV-GFCCVEGCSA-N -1 1 376.405 3.793 20 10 GHCDMM CC(C)C(Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786675 1033713142 /nfs/dbraw/zinc/71/31/42/1033713142.db2.gz PEMKBNHERACBHT-UHFFFAOYSA-N -1 1 376.405 3.505 20 10 GHCDMM Cc1cccc(-c2noc(SCC(=O)NCc3cccc(Cl)c3[O-])n2)c1 ZINC001159033711 1034392024 /nfs/dbraw/zinc/39/20/24/1034392024.db2.gz MMKLROYXBTWOIB-UHFFFAOYSA-N -1 1 389.864 3.813 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1nc(NCc2ccco2)ncc1Cl ZINC001159034193 1034393549 /nfs/dbraw/zinc/39/35/49/1034393549.db2.gz SBSNXGBHKBZTCA-UHFFFAOYSA-N -1 1 393.230 3.624 20 10 GHCDMM O=C(CNc1nc(C(F)F)nc2ccc(Cl)cc21)c1ccc([O-])c(O)c1 ZINC001159280278 1034520536 /nfs/dbraw/zinc/52/05/36/1034520536.db2.gz JGZAFLPUVZHJJF-UHFFFAOYSA-N -1 1 379.750 3.927 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCn3c(cnc3C(F)(F)F)C2)c1 ZINC001207708816 1034538941 /nfs/dbraw/zinc/53/89/41/1034538941.db2.gz YPLYMDZBYMWGOC-UHFFFAOYSA-N -1 1 390.203 3.694 20 10 GHCDMM CCCC[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001231453409 1034597105 /nfs/dbraw/zinc/59/71/05/1034597105.db2.gz FUPGOEXPRJWILV-QGZVFWFLSA-N -1 1 392.496 3.702 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn(CC(F)(F)F)c3)c([O-])cc21 ZINC001248666431 1036038908 /nfs/dbraw/zinc/03/89/08/1036038908.db2.gz VQCNMPZFAPZKOY-UHFFFAOYSA-N -1 1 387.317 3.670 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001233034011 1038787683 /nfs/dbraw/zinc/78/76/83/1038787683.db2.gz ZIGUQLQQYSDXCC-OKILXGFUSA-N -1 1 391.284 3.862 20 10 GHCDMM CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC001252719234 1039096902 /nfs/dbraw/zinc/09/69/02/1039096902.db2.gz OTDNQHNGCSCIGT-UHFFFAOYSA-N -1 1 388.670 3.705 20 10 GHCDMM O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277831168 1039830437 /nfs/dbraw/zinc/83/04/37/1039830437.db2.gz WHTCGBXAGSOKGT-HNNXBMFYSA-N -1 1 397.224 3.828 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCCN(c2ccc(F)cn2)CC1 ZINC001235057076 1040546266 /nfs/dbraw/zinc/54/62/66/1040546266.db2.gz LKCMWDRWTFPSFC-UHFFFAOYSA-N -1 1 398.251 3.540 20 10 GHCDMM CN1CCN(Cc2cc(F)cc(Br)c2[O-])[C@H](c2ccccc2)C1 ZINC001235297636 1040768749 /nfs/dbraw/zinc/76/87/49/1040768749.db2.gz OTSFGHMIILXIAA-KRWDZBQOSA-N -1 1 379.273 3.783 20 10 GHCDMM Oc1c(Br)cc(F)cc1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001235307877 1040782030 /nfs/dbraw/zinc/78/20/30/1040782030.db2.gz MIAKXNVVQZTQKR-JKSUJKDBSA-N -1 1 389.284 3.692 20 10 GHCDMM Cc1nc([C@H]2COCCN2Cc2cc(C)cc(Br)c2[O-])cs1 ZINC001236667529 1041814610 /nfs/dbraw/zinc/81/46/10/1041814610.db2.gz YQVRGKFFEFSMFF-OAHLLOKOSA-N -1 1 383.311 3.802 20 10 GHCDMM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1Cl ZINC001236802088 1041903705 /nfs/dbraw/zinc/90/37/05/1041903705.db2.gz OHXVNIOIQZDMEB-CYBMUJFWSA-N -1 1 384.904 3.886 20 10 GHCDMM COc1ccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1Cl ZINC001236801985 1041903933 /nfs/dbraw/zinc/90/39/33/1041903933.db2.gz MDKHOLILECTICM-ZDUSSCGKSA-N -1 1 384.904 3.886 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(c2cccc3c2OCCO3)CC1 ZINC001237080889 1042027028 /nfs/dbraw/zinc/02/70/28/1042027028.db2.gz HDANCPJBWFEKPZ-UHFFFAOYSA-N -1 1 395.286 3.792 20 10 GHCDMM COC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2nn(CC3CC3)cc21 ZINC001237125261 1042052570 /nfs/dbraw/zinc/05/25/70/1042052570.db2.gz XGZJIBPGVIIMKW-ZDUSSCGKSA-N -1 1 379.863 3.537 20 10 GHCDMM O=C(N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1)c1ccccc1F ZINC001237125257 1042052921 /nfs/dbraw/zinc/05/29/21/1042052921.db2.gz BNBJXDYPADPWQK-GFCCVEGCSA-N -1 1 380.822 3.718 20 10 GHCDMM O=C(c1ccco1)N1C[C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])[C@H]2C1 ZINC001237620609 1042287288 /nfs/dbraw/zinc/28/72/88/1042287288.db2.gz NXGIKLWXHMIFSM-WBMJQRKESA-N -1 1 378.831 3.514 20 10 GHCDMM O=C1CCC[C@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@@H]12 ZINC001237786682 1042369379 /nfs/dbraw/zinc/36/93/79/1042369379.db2.gz PAULCXNDEPZRIV-JOYOIKCWSA-N -1 1 392.215 3.975 20 10 GHCDMM O=C(c1ccco1)N1C[C@H]2CCCN(Cc3cc(F)cc(Cl)c3[O-])[C@H]2C1 ZINC001237813974 1042382237 /nfs/dbraw/zinc/38/22/37/1042382237.db2.gz NYYQDZYDHIBUAT-WBMJQRKESA-N -1 1 378.831 3.514 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCC1(F)F ZINC001237939950 1042430426 /nfs/dbraw/zinc/43/04/26/1042430426.db2.gz IHOFKUAUIKYMPZ-CQSZACIVSA-N -1 1 394.821 3.919 20 10 GHCDMM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001279676547 1047910479 /nfs/dbraw/zinc/91/04/79/1047910479.db2.gz GWWJDQVIAOZZGL-BETUJISGSA-N -1 1 393.274 3.585 20 10 GHCDMM O=C(NCCC1CCN(CC(F)(F)F)CC1)NCc1cccc(Cl)c1[O-] ZINC001312184295 1052623438 /nfs/dbraw/zinc/62/34/38/1052623438.db2.gz FPYKIMLQIPTFCY-UHFFFAOYSA-N -1 1 393.837 3.509 20 10 GHCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1c(F)cccc1Br ZINC001342864172 1053397768 /nfs/dbraw/zinc/39/77/68/1053397768.db2.gz JEKHPBPDDCXFKO-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC001320134299 1055669230 /nfs/dbraw/zinc/66/92/30/1055669230.db2.gz VTDTXNDPRMDKKN-SNVBAGLBSA-N -1 1 381.245 3.885 20 10 GHCDMM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765750175 1068120859 /nfs/dbraw/zinc/12/08/59/1068120859.db2.gz ABCJMOVECVBQLL-PKNBQFBNSA-N -1 1 391.221 3.783 20 10 GHCDMM CSc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1Cl ZINC001475774651 1075018744 /nfs/dbraw/zinc/01/87/44/1075018744.db2.gz LTNDABOUVYFNNR-UHFFFAOYSA-N -1 1 378.302 3.899 20 10 GHCDMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000822361866 606393904 /nfs/dbraw/zinc/39/39/04/606393904.db2.gz JNSFAKXRZRHSDJ-JYRVWZFOSA-N -1 1 385.499 3.642 20 10 GHCDMM CC(C)C(=O)Nc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000891723911 842756400 /nfs/dbraw/zinc/75/64/00/842756400.db2.gz GSYQBGLYSHFYEC-UHFFFAOYSA-N -1 1 375.856 3.640 20 10 GHCDMM O=C(CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc([O-])c(O)c1 ZINC000016335226 847918732 /nfs/dbraw/zinc/91/87/32/847918732.db2.gz BNXSOUZXCWUNBI-UHFFFAOYSA-N -1 1 391.449 3.676 20 10 GHCDMM COc1ccccc1-n1cnc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001170320678 881354755 /nfs/dbraw/zinc/35/47/55/881354755.db2.gz IORKXFPTFHUNSV-UHFFFAOYSA-N -1 1 389.411 3.740 20 10 GHCDMM O=C(NCCc1ccc(Cl)cc1)NCc1cccc(Br)c1[O-] ZINC000764748241 859589621 /nfs/dbraw/zinc/58/96/21/859589621.db2.gz VETDNNYOVZYUEI-UHFFFAOYSA-N -1 1 383.673 3.850 20 10 GHCDMM Cc1ccc(OC[C@H](C)NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764768523 859595016 /nfs/dbraw/zinc/59/50/16/859595016.db2.gz QXEMXMXVMFDYEL-ZDUSSCGKSA-N -1 1 393.281 3.730 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCC1(c2ccccc2)CC1 ZINC000764756753 859596400 /nfs/dbraw/zinc/59/64/00/859596400.db2.gz HNYRHGPSNAXZFO-UHFFFAOYSA-N -1 1 375.266 3.686 20 10 GHCDMM Cc1ccc2c(c1)[C@@H](NC(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000764781656 859601886 /nfs/dbraw/zinc/60/18/86/859601886.db2.gz XJXPYSRUNMMLQW-INIZCTEOSA-N -1 1 375.266 3.950 20 10 GHCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1c(C)noc1C ZINC000764798658 859613696 /nfs/dbraw/zinc/61/36/96/859613696.db2.gz HFALIEPFCOKMEI-CYBMUJFWSA-N -1 1 382.258 3.710 20 10 GHCDMM CC(C)O[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764804395 859615584 /nfs/dbraw/zinc/61/55/84/859615584.db2.gz GCDDTPCPVTVJAO-KGLIPLIRSA-N -1 1 385.302 3.546 20 10 GHCDMM CCc1cnccc1[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764805266 859616480 /nfs/dbraw/zinc/61/64/80/859616480.db2.gz JVDVMRVGEABGAQ-LLVKDONJSA-N -1 1 378.270 3.673 20 10 GHCDMM COC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765275709 859879647 /nfs/dbraw/zinc/87/96/47/859879647.db2.gz CJCSIPXBYMOUOQ-UHFFFAOYSA-N -1 1 393.237 3.571 20 10 GHCDMM CCCN(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765737142 860533307 /nfs/dbraw/zinc/53/33/07/860533307.db2.gz QRZJACROXLLPNC-UHFFFAOYSA-N -1 1 377.282 3.931 20 10 GHCDMM Cc1cc(C)cc(OCCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765747004 860560049 /nfs/dbraw/zinc/56/00/49/860560049.db2.gz JOVSNJKIADJWID-UHFFFAOYSA-N -1 1 378.266 3.857 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1OCC1CC1 ZINC000765751694 860568612 /nfs/dbraw/zinc/56/86/12/860568612.db2.gz JGDKJRCNWDUEEN-UHFFFAOYSA-N -1 1 376.250 3.874 20 10 GHCDMM Cc1ccc(/C=C\S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766198908 863844648 /nfs/dbraw/zinc/84/46/48/863844648.db2.gz AXTACYADLAIYDE-KTKRTIGZSA-N -1 1 382.279 3.553 20 10 GHCDMM Cc1cc(Cl)ccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766202297 863860157 /nfs/dbraw/zinc/86/01/57/863860157.db2.gz ZKUQFKLCPGOXRC-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000042117463 864922773 /nfs/dbraw/zinc/92/27/73/864922773.db2.gz JYPAZRQJTUWXRL-UHFFFAOYSA-N -1 1 382.489 3.670 20 10 GHCDMM CCOC(=O)Cc1ccc(Cl)c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193229334 870990408 /nfs/dbraw/zinc/99/04/08/870990408.db2.gz IDROUCXTFMAIDS-UHFFFAOYSA-N -1 1 384.215 3.763 20 10 GHCDMM C[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000857875505 882605196 /nfs/dbraw/zinc/60/51/96/882605196.db2.gz QSGIBDHIHHXXFA-HWPZZCPQSA-N -1 1 393.256 3.658 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1[O-] ZINC000768731589 873540914 /nfs/dbraw/zinc/54/09/14/873540914.db2.gz LPTBEUBFJWAVRP-INIZCTEOSA-N -1 1 389.805 3.992 20 10 GHCDMM O=c1c(NCc2cc(Cl)c3cccnc3c2[O-])cccn1Cc1ccccn1 ZINC001168525782 879406551 /nfs/dbraw/zinc/40/65/51/879406551.db2.gz KKXPESBWTFTTGQ-UHFFFAOYSA-N -1 1 392.846 3.811 20 10 GHCDMM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1c(F)ccc(O)c1[O-] ZINC000790071525 879415075 /nfs/dbraw/zinc/41/50/75/879415075.db2.gz WRDXXJGVJBZAEG-UHFFFAOYSA-N -1 1 377.375 3.506 20 10 GHCDMM Cc1ccc(CO[C@H](C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000861332614 885403698 /nfs/dbraw/zinc/40/36/98/885403698.db2.gz IXMLANMAGCOIEZ-CYBMUJFWSA-N -1 1 378.266 3.685 20 10 GHCDMM Cc1cc(Br)cc(Cl)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784584561 886357682 /nfs/dbraw/zinc/35/76/82/886357682.db2.gz XJQKALIZHPTFKX-UHFFFAOYSA-N -1 1 399.624 3.862 20 10 GHCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cccc1N1C(=O)N[C@H](C)C1=O ZINC000809787243 887841422 /nfs/dbraw/zinc/84/14/22/887841422.db2.gz XCWUNSSEVCAOEA-SNVBAGLBSA-N -1 1 377.803 3.550 20 10 GHCDMM O=C(COC(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1ccc([O-])c(O)c1 ZINC000796042505 913227772 /nfs/dbraw/zinc/22/77/72/913227772.db2.gz HVIIMJSLRFZODR-UHFFFAOYSA-N -1 1 389.363 3.946 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])C1(c2cccnc2)CCCC1 ZINC000813539390 891744314 /nfs/dbraw/zinc/74/43/14/891744314.db2.gz MEYILHXYOKPVJP-UHFFFAOYSA-N -1 1 375.266 3.678 20 10 GHCDMM CC(C)O[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000816496298 894862636 /nfs/dbraw/zinc/86/26/36/894862636.db2.gz DLBMHEFAJFHOAI-QGZVFWFLSA-N -1 1 378.266 3.937 20 10 GHCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1N1C(=O)N[C@@H](C)C1=O ZINC000816612912 894974441 /nfs/dbraw/zinc/97/44/41/894974441.db2.gz AYAJHUPMMNRMBS-JTQLQIEISA-N -1 1 377.803 3.550 20 10 GHCDMM [O-]c1cc(F)c(Br)cc1CN1CCC(O)(c2ccccc2F)CC1 ZINC001144300188 901660960 /nfs/dbraw/zinc/66/09/60/901660960.db2.gz WECJKEGMGHUHIV-UHFFFAOYSA-N -1 1 398.247 3.917 20 10 GHCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000268011711 909736183 /nfs/dbraw/zinc/73/61/83/909736183.db2.gz RLDDXUDFIPFQBO-UHFFFAOYSA-N -1 1 388.489 3.517 20 10 GHCDMM C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622219 910884860 /nfs/dbraw/zinc/88/48/60/910884860.db2.gz RPQKDWDXGJGLOS-ZBFHGGJFSA-N -1 1 382.451 3.893 20 10 GHCDMM COc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)cc(Cl)c1[O-] ZINC001191155507 917789767 /nfs/dbraw/zinc/78/97/67/917789767.db2.gz JTRZARSFAHWWCA-UHFFFAOYSA-N -1 1 393.226 3.891 20 10 GHCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cccc1N1C(=O)CCNC1=O ZINC000800536309 920251242 /nfs/dbraw/zinc/25/12/42/920251242.db2.gz ONXKGVHBBCOCHI-UHFFFAOYSA-N -1 1 377.803 3.552 20 10 GHCDMM NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1N1CCCCC1 ZINC000802652012 922306590 /nfs/dbraw/zinc/30/65/90/922306590.db2.gz IEMOMDBVPZXPRO-UHFFFAOYSA-N -1 1 377.847 3.886 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2cc(F)cc(F)c2)c1[O-] ZINC000750042907 927402644 /nfs/dbraw/zinc/40/26/44/927402644.db2.gz ANAOKVRLOPAVBS-UHFFFAOYSA-N -1 1 382.794 3.597 20 10 GHCDMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000758793559 930169192 /nfs/dbraw/zinc/16/91/92/930169192.db2.gz BPXZNYKMEZCWMM-AWEZNQCLSA-N -1 1 380.496 3.606 20 10 GHCDMM O=C(COC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc([O-])c(O)c1 ZINC000783819842 931667170 /nfs/dbraw/zinc/66/71/70/931667170.db2.gz AJQYDTHPEGDSLR-STQMWFEESA-N -1 1 396.317 3.526 20 10 GHCDMM C[C@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784435608 931894252 /nfs/dbraw/zinc/89/42/52/931894252.db2.gz NOEWRRKOTVHXMV-JTQLQIEISA-N -1 1 389.454 3.614 20 10 GHCDMM COC(=O)c1ccc(OC2CCN(Cc3c(F)ccc(F)c3[O-])CC2)cc1 ZINC001139684118 933209330 /nfs/dbraw/zinc/20/93/30/933209330.db2.gz QVLWKQIPIGXLTB-UHFFFAOYSA-N -1 1 377.387 3.500 20 10 GHCDMM O=C(NCCOc1cccc(Br)c1)NCc1cccc(Cl)c1[O-] ZINC001221303423 1032370391 /nfs/dbraw/zinc/37/03/91/1032370391.db2.gz TUVBAFUSLSNNST-UHFFFAOYSA-N -1 1 399.672 3.686 20 10 GHCDMM C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c31)C2 ZINC001227507494 1032446288 /nfs/dbraw/zinc/44/62/88/1032446288.db2.gz XQFDPTPDTXDXCO-MUJYYYPQSA-N -1 1 393.439 3.875 20 10 GHCDMM CCOC(=O)[C@H]1CC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001227577391 1032469092 /nfs/dbraw/zinc/46/90/92/1032469092.db2.gz JWAFDACWHKHPBW-HDJSIYSDSA-N -1 1 394.423 3.668 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001227580450 1032471006 /nfs/dbraw/zinc/47/10/06/1032471006.db2.gz QJOVKGGPVFYENJ-QGZVFWFLSA-N -1 1 399.446 3.821 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CCN(Cc2ccccc2)C1 ZINC001227580449 1032471093 /nfs/dbraw/zinc/47/10/93/1032471093.db2.gz QJOVKGGPVFYENJ-KRWDZBQOSA-N -1 1 399.446 3.821 20 10 GHCDMM C[C@H](COc1ccccc1)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228113811 1032790213 /nfs/dbraw/zinc/79/02/13/1032790213.db2.gz DZGHBJBBQJZCGE-CQSZACIVSA-N -1 1 380.396 3.881 20 10 GHCDMM C[C@@H](NCc1nn(C)cc1Br)c1cccc(C(F)(F)F)c1[O-] ZINC000834884417 1021612995 /nfs/dbraw/zinc/61/29/95/1021612995.db2.gz LMBYDIGQLRPWLR-MRVPVSSYSA-N -1 1 378.192 3.758 20 10 GHCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000756648845 1023753636 /nfs/dbraw/zinc/75/36/36/1023753636.db2.gz LKXLHTYMUVMJNA-ZIAGYGMSSA-N -1 1 381.432 3.564 20 10 GHCDMM C[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756851795 1023834887 /nfs/dbraw/zinc/83/48/87/1023834887.db2.gz VHQZSMDUGCOAKR-RYUDHWBXSA-N -1 1 387.390 3.635 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(C(=O)c2ccccc2)c[nH]1 ZINC001139974377 1026770871 /nfs/dbraw/zinc/77/08/71/1026770871.db2.gz BKFDXCRVQSROCK-UHFFFAOYSA-N -1 1 399.244 3.644 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001203574088 1027443214 /nfs/dbraw/zinc/44/32/14/1027443214.db2.gz OGDFPXZHAGJTBE-WCQYABFASA-N -1 1 376.177 3.926 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cc(F)c(CO)c(F)c3)c([O-])cc21 ZINC001214034780 1028516157 /nfs/dbraw/zinc/51/61/57/1028516157.db2.gz GWIHQRFNDOTEED-UHFFFAOYSA-N -1 1 381.334 3.682 20 10 GHCDMM Cc1cccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1Cl ZINC001217054321 1030125790 /nfs/dbraw/zinc/12/57/90/1030125790.db2.gz ACVLGEUJSPWFTO-UHFFFAOYSA-N -1 1 385.851 3.903 20 10 GHCDMM Cc1cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)ccc1Cl ZINC001217054979 1030127336 /nfs/dbraw/zinc/12/73/36/1030127336.db2.gz NCTNQCDHLUJAMJ-UHFFFAOYSA-N -1 1 385.851 3.903 20 10 GHCDMM CC(=O)[C@@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC001229196351 1033334264 /nfs/dbraw/zinc/33/42/64/1033334264.db2.gz BNOFIXWTEIQIJY-HSZRJFAPSA-N -1 1 388.375 3.582 20 10 GHCDMM CC/C=C(\C)[C@@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229789123 1033716093 /nfs/dbraw/zinc/71/60/93/1033716093.db2.gz DLDINYHPAHXZCU-SCBHQAGPSA-N -1 1 388.416 3.959 20 10 GHCDMM CC(C)=CCC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790047 1033716728 /nfs/dbraw/zinc/71/67/28/1033716728.db2.gz GTSWERBCDMQDMV-GFCCVEGCSA-N -1 1 388.416 3.959 20 10 GHCDMM Cc1cn2c(n1)[C@H](Oc1c(C)c([O-])cc3c1C(=O)c1ccccc1C3=O)CCC2 ZINC001229829550 1033739962 /nfs/dbraw/zinc/73/99/62/1033739962.db2.gz UVSWGHQNPYFQFA-GOSISDBHSA-N -1 1 388.423 3.895 20 10 GHCDMM [O-]c1cc(O)c(CN2CCCC[C@H]2c2noc(C(F)(F)F)n2)cc1Cl ZINC001232264338 1037983423 /nfs/dbraw/zinc/98/34/23/1037983423.db2.gz AEBSANHMVYYYOL-JTQLQIEISA-N -1 1 377.750 3.880 20 10 GHCDMM COc1ccc(CN(C)Cc2c([O-])cc(Br)cc2F)cc1OC ZINC001233030904 1038783693 /nfs/dbraw/zinc/78/36/93/1038783693.db2.gz RKWWHCAQEHVULP-UHFFFAOYSA-N -1 1 384.245 3.943 20 10 GHCDMM CC(C)(C)OC(=O)NCC[C@H](NCc1cc(F)c(F)cc1[O-])C(F)(F)F ZINC001462350240 1070191305 /nfs/dbraw/zinc/19/13/05/1070191305.db2.gz GXAPVVQVUQVLNJ-ZDUSSCGKSA-N -1 1 384.345 3.606 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCc2ccccc2-n2ccnc21 ZINC001253348216 1039560944 /nfs/dbraw/zinc/56/09/44/1039560944.db2.gz NDBLIEGWUKICPT-INIZCTEOSA-N -1 1 382.851 3.718 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001234473646 1040056041 /nfs/dbraw/zinc/05/60/41/1040056041.db2.gz JKUYCZPOWZOLTQ-CYBMUJFWSA-N -1 1 379.453 3.715 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001235308375 1040782367 /nfs/dbraw/zinc/78/23/67/1040782367.db2.gz PSNNZTBSVZYRHY-OAHLLOKOSA-N -1 1 381.245 3.732 20 10 GHCDMM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277993107 1041801177 /nfs/dbraw/zinc/80/11/77/1041801177.db2.gz SMIWBQKSUGJRDE-CWTRNNRKSA-N -1 1 399.318 3.634 20 10 GHCDMM COC(=O)c1cccc2c1CN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236666988 1041815196 /nfs/dbraw/zinc/81/51/96/1041815196.db2.gz YPFKNRBHUHLLBJ-UHFFFAOYSA-N -1 1 376.250 3.766 20 10 GHCDMM CCOc1ccccc1N1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236803478 1041905647 /nfs/dbraw/zinc/90/56/47/1041905647.db2.gz UWWAEOSXTOTQIA-UHFFFAOYSA-N -1 1 376.884 3.775 20 10 GHCDMM Cn1cc2c(n1)CN(Cc1c([O-])ccc(Cl)c1Cl)C[C@H]2COCC1CC1 ZINC001237081490 1042026499 /nfs/dbraw/zinc/02/64/99/1042026499.db2.gz YDZZNOMDKRIRPK-ZDUSSCGKSA-N -1 1 396.318 3.959 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C[C@H]1F ZINC001237121520 1042050001 /nfs/dbraw/zinc/05/00/01/1042050001.db2.gz PBDQFEGUUOMJFU-CHWSQXEVSA-N -1 1 376.831 3.622 20 10 GHCDMM Cc1nc(CN2CCC3(CN(Cc4cc(F)cc(Cl)c4[O-])C3)C2)cs1 ZINC001237801433 1042377379 /nfs/dbraw/zinc/37/73/79/1042377379.db2.gz UIHRSFOYRXUROM-UHFFFAOYSA-N -1 1 381.904 3.658 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H]1F ZINC001237933567 1042426031 /nfs/dbraw/zinc/42/60/31/1042426031.db2.gz CVPHSOWTWHWPAX-ZIAGYGMSSA-N -1 1 376.831 3.622 20 10 GHCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])nnn1-c1ccc(F)c(Cl)c1 ZINC001305085108 1047889151 /nfs/dbraw/zinc/88/91/51/1047889151.db2.gz QRXSFSLTSARKOV-UHFFFAOYSA-N -1 1 395.221 3.657 20 10 GHCDMM O=C(Cc1ccsc1)N1CCC2(CN(Cc3c([O-])ccc(F)c3Cl)C2)C1 ZINC001279685598 1047915047 /nfs/dbraw/zinc/91/50/47/1047915047.db2.gz YPUOPXFLFGXVSP-UHFFFAOYSA-N -1 1 394.899 3.523 20 10 GHCDMM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1c(F)ccc(O)c1O ZINC001306817523 1048912709 /nfs/dbraw/zinc/91/27/09/1048912709.db2.gz QUEWIGRYMSDJPN-UHFFFAOYSA-N -1 1 376.565 3.611 20 10 GHCDMM O=C(NCc1csc(Cc2ccc(Cl)cc2)n1)c1c(F)ccc(O)c1[O-] ZINC001306882611 1048942924 /nfs/dbraw/zinc/94/29/24/1048942924.db2.gz BYUARDKSCJVPRR-UHFFFAOYSA-N -1 1 392.839 3.868 20 10 GHCDMM C[C@H](c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1)N1CCOCC1 ZINC001332822607 1051576867 /nfs/dbraw/zinc/57/68/67/1051576867.db2.gz QHILLORKCLAVHQ-CQSZACIVSA-N -1 1 389.883 3.761 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(C2CCCCC2)c1 ZINC001320784590 1055959780 /nfs/dbraw/zinc/95/97/80/1055959780.db2.gz TYBXXLGQVCKYBI-UHFFFAOYSA-N -1 1 378.270 3.786 20 10 GHCDMM C[C@H](COc1ccccc1F)NC(=O)NCc1cccc(Br)c1[O-] ZINC001320786110 1055960801 /nfs/dbraw/zinc/96/08/01/1055960801.db2.gz NXPHMOFFVFMYOM-LLVKDONJSA-N -1 1 397.244 3.561 20 10 GHCDMM O=C(CSc1nccn1Cc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001457036816 1062956522 /nfs/dbraw/zinc/95/65/22/1062956522.db2.gz NNQYHKXHWPHXQH-UHFFFAOYSA-N -1 1 387.892 3.699 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001457786861 1063365844 /nfs/dbraw/zinc/36/58/44/1063365844.db2.gz MTHLUHHNSLCPPP-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001472316368 1073416926 /nfs/dbraw/zinc/41/69/26/1073416926.db2.gz OPVHARRNRTTWOK-MRXNPFEDSA-N -1 1 390.867 3.928 20 10 GHCDMM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000832900207 601493423 /nfs/dbraw/zinc/49/34/23/601493423.db2.gz SSTAXXROMWBKSW-UHFFFAOYSA-N -1 1 385.388 3.601 20 10 GHCDMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000821496937 606393987 /nfs/dbraw/zinc/39/39/87/606393987.db2.gz LPXPOIJZDFCZPD-ZROIWOOFSA-N -1 1 399.526 3.896 20 10 GHCDMM COc1ccccc1[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccn1 ZINC000376470686 837456907 /nfs/dbraw/zinc/45/69/07/837456907.db2.gz GBRLWXTUTQGVHH-LJQANCHMSA-N -1 1 395.415 3.592 20 10 GHCDMM CC(C)n1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1-c1ccccc1 ZINC000784956967 836285532 /nfs/dbraw/zinc/28/55/32/836285532.db2.gz VCBNODDTAJHWLD-UHFFFAOYSA-N -1 1 380.400 3.582 20 10 GHCDMM CCCC(=O)NC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893995807 844321288 /nfs/dbraw/zinc/32/12/88/844321288.db2.gz SUXDTRUIAJNEQJ-UHFFFAOYSA-N -1 1 389.721 3.689 20 10 GHCDMM CCc1nc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000277498583 846508437 /nfs/dbraw/zinc/50/84/37/846508437.db2.gz RCBDAMGLTMPKMW-VIFPVBQESA-N -1 1 384.299 3.734 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cccc(OC(F)(F)F)c1 ZINC000732526646 862337896 /nfs/dbraw/zinc/33/78/96/862337896.db2.gz UTENFZJXMPDOKE-UHFFFAOYSA-N -1 1 386.395 3.986 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(Nc2ncccn2)c1 ZINC000765765291 856995506 /nfs/dbraw/zinc/99/55/06/856995506.db2.gz RDPGONXTZMKBPG-UHFFFAOYSA-N -1 1 399.248 3.618 20 10 GHCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Br)c([O-])c1 ZINC000764402749 859436366 /nfs/dbraw/zinc/43/63/66/859436366.db2.gz ZFXWAGINQCWBRJ-UHFFFAOYSA-N -1 1 376.250 3.669 20 10 GHCDMM O=C(NCCOc1cccc(Cl)c1)NCc1cccc(Br)c1[O-] ZINC000764760480 859597568 /nfs/dbraw/zinc/59/75/68/859597568.db2.gz GMCNZUYZQSQXNS-UHFFFAOYSA-N -1 1 399.672 3.686 20 10 GHCDMM O=C(NCc1ccc(Cl)s1)NCc1cccc(Br)c1[O-] ZINC000764759635 859598165 /nfs/dbraw/zinc/59/81/65/859598165.db2.gz AXAFHUVJDRCJMY-UHFFFAOYSA-N -1 1 375.675 3.869 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1c(F)cccc1F ZINC000764761654 859599197 /nfs/dbraw/zinc/59/91/97/859599197.db2.gz CHCCWFKBSULBGM-VIFPVBQESA-N -1 1 385.208 3.993 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCc2ccccc2C1 ZINC000764784568 859602835 /nfs/dbraw/zinc/60/28/35/859602835.db2.gz QPPZPWPPPWGISC-ZDUSSCGKSA-N -1 1 389.293 3.759 20 10 GHCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])Cc1cccs1 ZINC000764784564 859603018 /nfs/dbraw/zinc/60/30/18/859603018.db2.gz QPIMWQALIZQIHS-LLVKDONJSA-N -1 1 383.311 3.894 20 10 GHCDMM Cc1ccc(OCCCNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764771203 859604915 /nfs/dbraw/zinc/60/49/15/859604915.db2.gz UWFALXPTQPZFMQ-UHFFFAOYSA-N -1 1 393.281 3.731 20 10 GHCDMM COc1cccc(C[C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764782481 859609451 /nfs/dbraw/zinc/60/94/51/859609451.db2.gz ZWFWFICWRYAHHK-GFCCVEGCSA-N -1 1 393.281 3.594 20 10 GHCDMM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764804916 859617044 /nfs/dbraw/zinc/61/70/44/859617044.db2.gz JYBCDAJHSJLYMQ-GJZGRUSLSA-N -1 1 385.302 3.548 20 10 GHCDMM COc1ccc(-c2nnc(NCc3cccc(Br)c3[O-])o2)cc1 ZINC000128848603 859650998 /nfs/dbraw/zinc/65/09/98/859650998.db2.gz CTVSMSRUJWUBKR-UHFFFAOYSA-N -1 1 376.210 3.825 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nc2c(s1)CCCC2 ZINC000765219356 859844705 /nfs/dbraw/zinc/84/47/05/859844705.db2.gz WGCHZIOYNPZSKD-UHFFFAOYSA-N -1 1 382.283 3.812 20 10 GHCDMM Cc1nc2ccccc2n1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765726026 860479288 /nfs/dbraw/zinc/47/92/88/860479288.db2.gz CQDMJFDLAZTFLO-UHFFFAOYSA-N -1 1 388.265 3.519 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1SCCc2ccccc21 ZINC000765728433 860493226 /nfs/dbraw/zinc/49/32/26/860493226.db2.gz RYTKWUHONFXKPF-MRXNPFEDSA-N -1 1 378.291 3.802 20 10 GHCDMM CCCN(CCC)C(=O)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765730568 860498107 /nfs/dbraw/zinc/49/81/07/860498107.db2.gz DEFBVQGPJMHUBN-UHFFFAOYSA-N -1 1 399.329 3.590 20 10 GHCDMM CCC(CC)n1nc(C(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765736100 860527515 /nfs/dbraw/zinc/52/75/15/860527515.db2.gz LLVXOKHWAPKSFW-UHFFFAOYSA-N -1 1 380.286 3.951 20 10 GHCDMM O=C(CCCn1cnc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765747160 860560094 /nfs/dbraw/zinc/56/00/94/860560094.db2.gz MXXSHWDSACEKFB-UHFFFAOYSA-N -1 1 388.265 3.601 20 10 GHCDMM COc1ccccc1C/C(C)=C\C(=O)NCc1cccc(Br)c1[O-] ZINC000765750888 860565533 /nfs/dbraw/zinc/56/55/33/860565533.db2.gz NHSSGDLVPPFXLI-QBFSEMIESA-N -1 1 390.277 3.969 20 10 GHCDMM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000742443347 867297250 /nfs/dbraw/zinc/29/72/50/867297250.db2.gz FQLIJPOHTZDNJK-MRXNPFEDSA-N -1 1 397.313 3.794 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cccc(F)c3)CC2)c1[O-] ZINC001192948687 870779613 /nfs/dbraw/zinc/77/96/13/870779613.db2.gz ZSBXWPYMXGLZJT-UHFFFAOYSA-N -1 1 376.859 3.705 20 10 GHCDMM Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)C2CCC(=O)CC2)c1 ZINC001194809616 871963451 /nfs/dbraw/zinc/96/34/51/871963451.db2.gz SIMWEIPQBWOQDV-UHFFFAOYSA-N -1 1 385.485 3.788 20 10 GHCDMM C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000857875579 882605036 /nfs/dbraw/zinc/60/50/36/882605036.db2.gz ULBJHERAQIVHBJ-BMLIUANNSA-N -1 1 393.256 3.658 20 10 GHCDMM [O-]c1c(Cl)cccc1CN(CCO)Cc1cc(Br)ccc1F ZINC000775668738 872598440 /nfs/dbraw/zinc/59/84/40/872598440.db2.gz JLODQQCEEHHGHN-UHFFFAOYSA-N -1 1 388.664 3.942 20 10 GHCDMM COc1cccc(CS(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)c1 ZINC001197377378 873785620 /nfs/dbraw/zinc/78/56/20/873785620.db2.gz WBQIGEOEOOTUDI-UHFFFAOYSA-N -1 1 381.453 3.868 20 10 GHCDMM CCO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000770626020 874804612 /nfs/dbraw/zinc/80/46/12/874804612.db2.gz OLBGRIUNNGQKBN-INIZCTEOSA-N -1 1 393.281 3.732 20 10 GHCDMM COc1cc(OC)c(OC)cc1NCc1cc(Br)cc(F)c1[O-] ZINC001201133441 875519758 /nfs/dbraw/zinc/51/97/58/875519758.db2.gz ODNJKWHDFWFOOY-UHFFFAOYSA-N -1 1 386.217 3.932 20 10 GHCDMM CN(Cc1ccc(Br)cc1Cl)C(=O)c1c([O-])c(O)ccc1F ZINC001183388285 912469555 /nfs/dbraw/zinc/46/95/55/912469555.db2.gz IYPOHNDDYNLUBU-UHFFFAOYSA-N -1 1 388.620 3.925 20 10 GHCDMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)c3cccc1c23 ZINC000111995526 879607460 /nfs/dbraw/zinc/60/74/60/879607460.db2.gz YYGDZRSAQAUSFL-UHFFFAOYSA-N -1 1 393.468 3.807 20 10 GHCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)cc1Br ZINC000784487223 884320192 /nfs/dbraw/zinc/32/01/92/884320192.db2.gz CLNULHBFIMHXEA-UHFFFAOYSA-N -1 1 379.206 3.517 20 10 GHCDMM COc1cnc(NCc2cccc(Br)c2[O-])c(Br)c1 ZINC000806671369 884902017 /nfs/dbraw/zinc/90/20/17/884902017.db2.gz WTVXUBQRWIITHF-UHFFFAOYSA-N -1 1 388.059 3.933 20 10 GHCDMM COC(=O)c1cnc(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)s1 ZINC000862473902 886397129 /nfs/dbraw/zinc/39/71/29/886397129.db2.gz ICPYXNDSRDROIH-UHFFFAOYSA-N -1 1 384.860 3.807 20 10 GHCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000811703679 889876621 /nfs/dbraw/zinc/87/66/21/889876621.db2.gz ZMKGXSWISDWDAD-UHFFFAOYSA-N -1 1 394.449 3.589 20 10 GHCDMM O=C(NCc1ccc([O-])c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876393315 893123477 /nfs/dbraw/zinc/12/34/77/893123477.db2.gz KZAWHVXNHDFDDU-INIZCTEOSA-N -1 1 390.867 3.642 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc(Cl)cn3)CC2)c1[O-] ZINC000748049559 894566053 /nfs/dbraw/zinc/56/60/53/894566053.db2.gz HUWDUMFENBCBIK-UHFFFAOYSA-N -1 1 380.275 3.619 20 10 GHCDMM CCCCNS(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816607091 894968315 /nfs/dbraw/zinc/96/83/15/894968315.db2.gz FJKUZBBHCZSQBQ-UHFFFAOYSA-N -1 1 386.876 3.875 20 10 GHCDMM COCc1nc(CNCc2cc(Cl)cc(Br)c2[O-])cs1 ZINC000883122623 897301578 /nfs/dbraw/zinc/30/15/78/897301578.db2.gz TXZAAAQSHBWLLY-UHFFFAOYSA-N -1 1 377.691 3.701 20 10 GHCDMM COc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1F ZINC000134117525 899593327 /nfs/dbraw/zinc/59/33/27/899593327.db2.gz GHKCBEXMLMSHKP-UHFFFAOYSA-N -1 1 380.419 3.656 20 10 GHCDMM CCOc1ccc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)c(O)c1 ZINC000825011294 899920511 /nfs/dbraw/zinc/92/05/11/899920511.db2.gz FFUVKDXGQFFCHX-UHFFFAOYSA-N -1 1 382.382 3.890 20 10 GHCDMM O=C(CC(c1ccccc1)c1ccccc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001143702067 900407386 /nfs/dbraw/zinc/40/73/86/900407386.db2.gz GALFZPLTQANBIS-UHFFFAOYSA-N -1 1 375.424 3.619 20 10 GHCDMM CCn1cnc2c1nc(Cl)nc2NCc1cccc(Br)c1[O-] ZINC001186358255 914474754 /nfs/dbraw/zinc/47/47/54/914474754.db2.gz BQTMYUIHRKEATP-UHFFFAOYSA-N -1 1 382.649 3.580 20 10 GHCDMM C[C@@H]1CC(CCNC(=O)NCc2cccc(Br)c2[O-])C[C@@H](C)O1 ZINC000801787244 921499841 /nfs/dbraw/zinc/49/98/41/921499841.db2.gz GNDAZORYGOCFIJ-VXGBXAGGSA-N -1 1 385.302 3.548 20 10 GHCDMM O=C(CCc1ccc(Oc2ccccc2)cc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180929838 910432858 /nfs/dbraw/zinc/43/28/58/910432858.db2.gz PTAZCZKDJBHFMH-UHFFFAOYSA-N -1 1 391.423 3.822 20 10 GHCDMM Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000775148036 915568021 /nfs/dbraw/zinc/56/80/21/915568021.db2.gz WRINMSMUBYUKRA-YGRLFVJLSA-N -1 1 382.220 3.598 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cc2ccccc2s1 ZINC001189955426 917019539 /nfs/dbraw/zinc/01/95/39/917019539.db2.gz VCYWJZIOTDVKOW-UHFFFAOYSA-N -1 1 398.303 3.848 20 10 GHCDMM CC[C@H](NCc1nnnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775496224 918332899 /nfs/dbraw/zinc/33/28/99/918332899.db2.gz HZAWYJKFFQIJFF-AWEZNQCLSA-N -1 1 378.263 3.916 20 10 GHCDMM COc1c(N[C@@H](C)c2cc(Br)c(F)cc2[O-])cccc1C(N)=O ZINC000757658697 929761924 /nfs/dbraw/zinc/76/19/24/929761924.db2.gz KBFDCJIZQUNXJY-QMMMGPOBSA-N -1 1 383.217 3.574 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1[O-] ZINC000781151276 930718322 /nfs/dbraw/zinc/71/83/22/930718322.db2.gz ZTYOZFBFQCFAOP-AWEZNQCLSA-N -1 1 377.387 3.532 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H](OC(F)F)C2)c1[O-] ZINC000781151276 930718324 /nfs/dbraw/zinc/71/83/24/930718324.db2.gz ZTYOZFBFQCFAOP-AWEZNQCLSA-N -1 1 377.387 3.532 20 10 GHCDMM COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781907083 931022816 /nfs/dbraw/zinc/02/28/16/931022816.db2.gz CWMGUYKEILQPQI-INIZCTEOSA-N -1 1 378.266 3.809 20 10 GHCDMM COCc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)sc2cccc(F)c21 ZINC000782541910 931263154 /nfs/dbraw/zinc/26/31/54/931263154.db2.gz OGPHHVNOEIGCRX-UHFFFAOYSA-N -1 1 390.388 3.638 20 10 GHCDMM O=C(CCOc1ccc(Cl)cc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783061615 931399070 /nfs/dbraw/zinc/39/90/70/931399070.db2.gz MJVQPCWLTYZGBW-UHFFFAOYSA-N -1 1 385.199 3.600 20 10 GHCDMM O=C(COC(=O)c1ccc(Cl)cc1Br)c1ccc([O-])c(O)c1 ZINC000784136583 931794685 /nfs/dbraw/zinc/79/46/85/931794685.db2.gz DUWMZPHSVZMAFH-UHFFFAOYSA-N -1 1 385.597 3.553 20 10 GHCDMM Cc1csc([C@H](NC(=O)NCc2cccc(Cl)c2[O-])C(F)(F)F)n1 ZINC000931578674 934626071 /nfs/dbraw/zinc/62/60/71/934626071.db2.gz CVDDXAHNPPSZDO-NSHDSACASA-N -1 1 379.791 3.913 20 10 GHCDMM CN(C)c1cc(F)c(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1F ZINC001598305762 991261369 /nfs/dbraw/zinc/26/13/69/991261369.db2.gz MVNAXTXHMQKPJU-MRXNPFEDSA-N -1 1 399.235 3.709 20 10 GHCDMM CN(C)c1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC001598318347 991314364 /nfs/dbraw/zinc/31/43/64/991314364.db2.gz XDBABMOUVCNPET-NWDGAFQWSA-N -1 1 398.347 3.856 20 10 GHCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCCCCC(=O)[O-])C1 ZINC001591634579 992940707 /nfs/dbraw/zinc/94/07/07/992940707.db2.gz AQHMHSKYWNAKLK-UHFFFAOYSA-N -1 1 399.535 3.559 20 10 GHCDMM C[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(Br)cc1[O-] ZINC001593300057 994727735 /nfs/dbraw/zinc/72/77/35/994727735.db2.gz ZBNYBWFGKPLIJT-MRVPVSSYSA-N -1 1 385.645 3.752 20 10 GHCDMM Cc1cc(N2CCOCC2)ccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000929600810 1017713476 /nfs/dbraw/zinc/71/34/76/1017713476.db2.gz PDPPHVZGHOPWIK-UHFFFAOYSA-N -1 1 375.856 3.512 20 10 GHCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001141804356 1027329711 /nfs/dbraw/zinc/32/97/11/1027329711.db2.gz XCQOYSWFGRCAQC-UHFFFAOYSA-N -1 1 396.434 3.894 20 10 GHCDMM C[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001203565314 1027436503 /nfs/dbraw/zinc/43/65/03/1027436503.db2.gz ZXZXHGKYURLWEB-YMTOWFKASA-N -1 1 393.119 3.510 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CC[C@]2(CCCO2)C1 ZINC001203564530 1027437033 /nfs/dbraw/zinc/43/70/33/1027437033.db2.gz MBYKFFZXLOVYSQ-CQSZACIVSA-N -1 1 391.103 3.672 20 10 GHCDMM O=C1c2ccccc2N[C@H](c2cc(Cl)c(F)cc2[O-])N1C[C@@H]1CCCO1 ZINC000840785193 1027823206 /nfs/dbraw/zinc/82/32/06/1027823206.db2.gz NKMBASUDFCETTR-VOJFVSQTSA-N -1 1 376.815 3.930 20 10 GHCDMM CN1C(=O)CCc2cc(Nc3cc4c(cc3[O-])C(=O)c3ccccc3C4=O)ccc21 ZINC001213137000 1028012689 /nfs/dbraw/zinc/01/26/89/1028012689.db2.gz QAQMHPUHGVEFBP-UHFFFAOYSA-N -1 1 398.418 3.820 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC(OC3CCC3)CC2)c1[O-] ZINC000841687486 1028834666 /nfs/dbraw/zinc/83/46/66/1028834666.db2.gz KPMSCZNTZWFVCN-UHFFFAOYSA-N -1 1 381.472 3.862 20 10 GHCDMM Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520979 1029024343 /nfs/dbraw/zinc/02/43/43/1029024343.db2.gz SGOAGJNCMKUGEH-UHFFFAOYSA-N -1 1 396.441 3.791 20 10 GHCDMM COC(=O)c1cc(NC(=O)NCc2cccc(Cl)c2[O-])cc(Cl)c1F ZINC001217264984 1030269070 /nfs/dbraw/zinc/26/90/70/1030269070.db2.gz CCAPSINGWNLHBP-UHFFFAOYSA-N -1 1 387.194 3.946 20 10 GHCDMM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159034598 1034393732 /nfs/dbraw/zinc/39/37/32/1034393732.db2.gz YIRHBSVSULEWTQ-GOSISDBHSA-N -1 1 388.895 3.815 20 10 GHCDMM O=C([O-])c1ccc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(O)c1 ZINC001231454542 1034598264 /nfs/dbraw/zinc/59/82/64/1034598264.db2.gz ZRKOPRXMKMAALT-QGZVFWFLSA-N -1 1 381.350 3.683 20 10 GHCDMM O=C([O-])c1ccc(O)c(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC001231566296 1034715275 /nfs/dbraw/zinc/71/52/75/1034715275.db2.gz WXIYJVJANCVRHV-UHFFFAOYSA-N -1 1 376.456 3.561 20 10 GHCDMM COc1ccc(C[N@H+](Cc2ccco2)C2CC2)c(O)c1I ZINC001248498948 1035916348 /nfs/dbraw/zinc/91/63/48/1035916348.db2.gz WGHJWHNIYFCLQM-UHFFFAOYSA-N -1 1 399.228 3.763 20 10 GHCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3Cc4ccncc4C3)c2)nc1C ZINC001232454035 1038238560 /nfs/dbraw/zinc/23/85/60/1038238560.db2.gz RFTPCHDKKYEVTP-UHFFFAOYSA-N -1 1 395.484 3.912 20 10 GHCDMM CC(C)C(=O)N1CCC[C@@]12CCN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001233030636 1038781742 /nfs/dbraw/zinc/78/17/42/1038781742.db2.gz JAGOQNCXCVLHDW-SFHVURJKSA-N -1 1 399.304 3.517 20 10 GHCDMM CCN(CCNC(=O)OC(C)(C)C)Cc1c([O-])cc(Br)cc1F ZINC001233030424 1038783594 /nfs/dbraw/zinc/78/35/94/1038783594.db2.gz SPEVIPHPBVXJBM-UHFFFAOYSA-N -1 1 391.281 3.640 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@H](F)C(F)(F)CC2)c1 ZINC001233306017 1039095349 /nfs/dbraw/zinc/09/53/49/1039095349.db2.gz BZJHKNNCAGYMFF-LBPRGKRZSA-N -1 1 396.203 3.511 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)[C@@H](C(F)(F)F)C1 ZINC001233336656 1039137390 /nfs/dbraw/zinc/13/73/90/1039137390.db2.gz VBMGQLNKNFZEKG-CYBMUJFWSA-N -1 1 396.356 3.654 20 10 GHCDMM COC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2nn(CC3CC3)cc21 ZINC001233416434 1039271956 /nfs/dbraw/zinc/27/19/56/1039271956.db2.gz HZZPMHNHIGUBKF-HNNXBMFYSA-N -1 1 395.425 3.763 20 10 GHCDMM [O-]c1c(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cccc1C(F)(F)F ZINC001233416315 1039272672 /nfs/dbraw/zinc/27/26/72/1039272672.db2.gz CZXUJERUBVVOFT-LNLFQRSKSA-N -1 1 394.393 3.617 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1[C@@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 ZINC001233496422 1039389693 /nfs/dbraw/zinc/38/96/93/1039389693.db2.gz UAGZEJHTKGIHTN-TVZGQMOCSA-N -1 1 391.464 3.857 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1[C@@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 ZINC001233496421 1039390127 /nfs/dbraw/zinc/39/01/27/1039390127.db2.gz UAGZEJHTKGIHTN-BBEGDGIKSA-N -1 1 391.464 3.857 20 10 GHCDMM CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCOc1cc([O-])c(O)cc1C(C)=O ZINC001234476189 1040059814 /nfs/dbraw/zinc/05/98/14/1040059814.db2.gz LPLLWXZQFKEBDF-HIFRSBDPSA-N -1 1 379.453 3.859 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001235066184 1040555331 /nfs/dbraw/zinc/55/53/31/1040555331.db2.gz YNENSKMUZMTXJU-OAHLLOKOSA-N -1 1 381.245 3.732 20 10 GHCDMM Cc1cccc(O[C@@H]2CCN(Cc3cc(F)cc(Br)c3[O-])C2)n1 ZINC001235309952 1040783805 /nfs/dbraw/zinc/78/38/05/1040783805.db2.gz ZJENJIJGQHPDER-CQSZACIVSA-N -1 1 381.245 3.651 20 10 GHCDMM Cc1ccccc1C(=O)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236800692 1041902923 /nfs/dbraw/zinc/90/29/23/1041902923.db2.gz XODOGJOKXZZKHL-UHFFFAOYSA-N -1 1 379.287 3.965 20 10 GHCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(Cl)c(Cl)cc1[O-])[C@@H]2C ZINC001236804820 1041906729 /nfs/dbraw/zinc/90/67/29/1041906729.db2.gz UEWMMOAPPFZSHE-SNVBAGLBSA-N -1 1 384.263 3.649 20 10 GHCDMM Cc1ccc(C(=O)N2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)cc1 ZINC001237083466 1042028852 /nfs/dbraw/zinc/02/88/52/1042028852.db2.gz DFHCXDNNWZDOKN-UHFFFAOYSA-N -1 1 379.287 3.965 20 10 GHCDMM O=C(Cc1ccccc1)N1CCCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085064 1042028959 /nfs/dbraw/zinc/02/89/59/1042028959.db2.gz UIXKAEPEPJYHOV-UHFFFAOYSA-N -1 1 393.314 3.976 20 10 GHCDMM [O-]c1c(CN2CCC[C@]23CCOC3)cc(Br)cc1C(F)(F)F ZINC001237792737 1042372678 /nfs/dbraw/zinc/37/26/78/1042372678.db2.gz UYDYJQKJPGZMOI-CQSZACIVSA-N -1 1 380.204 3.928 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H](F)C1 ZINC001237934168 1042426717 /nfs/dbraw/zinc/42/67/17/1042426717.db2.gz IJDSSJLYWBPJHO-LBPRGKRZSA-N -1 1 376.831 3.576 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001237936834 1042427908 /nfs/dbraw/zinc/42/79/08/1042427908.db2.gz GHNGBJWRVMFFCM-YSIASYRMSA-N -1 1 392.858 3.528 20 10 GHCDMM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1F)c1cccc2nsnc21 ZINC001260387770 1045486538 /nfs/dbraw/zinc/48/65/38/1045486538.db2.gz QWZTWKCEJOYPER-UHFFFAOYSA-N -1 1 393.343 3.530 20 10 GHCDMM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1Cl)c1cccc2nonc21 ZINC001260441394 1045496323 /nfs/dbraw/zinc/49/63/23/1045496323.db2.gz GXRTXJZXRAPHLS-UHFFFAOYSA-N -1 1 393.730 3.576 20 10 GHCDMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1O ZINC001302532552 1046966470 /nfs/dbraw/zinc/96/64/70/1046966470.db2.gz IXIYJDYYPLKCKF-HNNXBMFYSA-N -1 1 396.468 3.684 20 10 GHCDMM O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Cl)c1[O-] ZINC001279442686 1047809000 /nfs/dbraw/zinc/80/90/00/1047809000.db2.gz SLIBKTNMQFUTRZ-IYBDPMFKSA-N -1 1 376.909 3.525 20 10 GHCDMM O=C(Cc1ccsc1)N1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001279675210 1047909622 /nfs/dbraw/zinc/90/96/22/1047909622.db2.gz WPFPNTHTXFDOBV-UHFFFAOYSA-N -1 1 397.327 3.647 20 10 GHCDMM O=C1C[C@@]2(CC[N@H+](Cc3ccc(Br)cc3O)C2)Oc2ccccc21 ZINC001308816820 1050105750 /nfs/dbraw/zinc/10/57/50/1050105750.db2.gz YFBJZIUVVATKKB-LJQANCHMSA-N -1 1 388.261 3.765 20 10 GHCDMM CCOc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC001319722907 1055425748 /nfs/dbraw/zinc/42/57/48/1055425748.db2.gz CBQIBNRDZISTLS-UHFFFAOYSA-N -1 1 376.456 3.907 20 10 GHCDMM CC(C)(C)OC(=O)[C@]1(C(=O)NCc2cccc(Br)c2[O-])CC1(C)C ZINC001448960575 1060305229 /nfs/dbraw/zinc/30/52/29/1060305229.db2.gz MHTKGALZHUOKBS-GOSISDBHSA-N -1 1 398.297 3.529 20 10 GHCDMM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001465028114 1065337274 /nfs/dbraw/zinc/33/72/74/1065337274.db2.gz DQCGEYMFOQUZTM-UHFFFAOYSA-N -1 1 378.428 3.769 20 10 GHCDMM COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])c1 ZINC001465993844 1065949629 /nfs/dbraw/zinc/94/96/29/1065949629.db2.gz XSMALYHQSOTIJO-LBPRGKRZSA-N -1 1 381.384 3.670 20 10 GHCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000765733239 1068119833 /nfs/dbraw/zinc/11/98/33/1068119833.db2.gz VXDPDFBURSBHBU-UHFFFAOYSA-N -1 1 393.237 3.657 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC001470300445 1068672397 /nfs/dbraw/zinc/67/23/97/1068672397.db2.gz JYRSDKGXOIOQNL-LBPRGKRZSA-N -1 1 388.830 3.931 20 10 GHCDMM C[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1ccccc1O ZINC001471195320 1072961753 /nfs/dbraw/zinc/96/17/53/1072961753.db2.gz WIKIILOGIZKJRV-JTQLQIEISA-N -1 1 387.233 3.900 20 10 GHCDMM CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001476185874 1075100761 /nfs/dbraw/zinc/10/07/61/1075100761.db2.gz YYUDIABUSVXTOP-UHFFFAOYSA-N -1 1 397.884 3.519 20 10 GHCDMM O=C([O-])C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000739785520 600144834 /nfs/dbraw/zinc/14/48/34/600144834.db2.gz OIADYZUPKMIFOA-UHFFFAOYSA-N -1 1 397.258 3.614 20 10 GHCDMM O=C([O-])C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000739785520 600144836 /nfs/dbraw/zinc/14/48/36/600144836.db2.gz OIADYZUPKMIFOA-UHFFFAOYSA-N -1 1 397.258 3.614 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCN(c2nc3ccccc3o2)CC1 ZINC000890758428 836689857 /nfs/dbraw/zinc/68/98/57/836689857.db2.gz XYHJSRYKZMVWLL-UHFFFAOYSA-N -1 1 385.851 3.720 20 10 GHCDMM O=C(CSc1nnc(Cc2c(F)cccc2Cl)o1)c1ccc([O-])c(O)c1 ZINC000066257793 837034402 /nfs/dbraw/zinc/03/44/02/837034402.db2.gz ULCQNPQVUYMWCL-UHFFFAOYSA-N -1 1 394.811 3.839 20 10 GHCDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C)c(C)n1-c1cccc(Cl)c1 ZINC000067051066 843778976 /nfs/dbraw/zinc/77/89/76/843778976.db2.gz NCARHCBSGFEHBU-UHFFFAOYSA-N -1 1 389.912 3.511 20 10 GHCDMM CCOC(=O)c1nc(-c2cccc(NCC(=O)c3ccc([O-])c(O)c3)c2)cs1 ZINC001170314778 881345288 /nfs/dbraw/zinc/34/52/88/881345288.db2.gz IAEMSXYAHXKMNO-UHFFFAOYSA-N -1 1 398.440 3.693 20 10 GHCDMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000764766033 859594331 /nfs/dbraw/zinc/59/43/31/859594331.db2.gz XOEOETUQVVMEOF-MFKMUULPSA-N -1 1 379.254 3.871 20 10 GHCDMM Cc1ccc(C[C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000764781814 859601978 /nfs/dbraw/zinc/60/19/78/859601978.db2.gz CGAFERKPUUVYIR-SNVBAGLBSA-N -1 1 383.311 3.955 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000764785136 859618283 /nfs/dbraw/zinc/61/82/83/859618283.db2.gz SMEICUAEELJOFC-GDBMZVCRSA-N -1 1 375.266 3.585 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](Cc1ccccc1)C1CC1 ZINC000764785304 859618208 /nfs/dbraw/zinc/61/82/08/859618208.db2.gz USDRNHQIDLXATB-KRWDZBQOSA-N -1 1 389.293 3.975 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000764786038 859618922 /nfs/dbraw/zinc/61/89/22/859618922.db2.gz XZJYCTDSBYVUTC-HZMBPMFUSA-N -1 1 397.219 3.788 20 10 GHCDMM CC(C)CCn1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765316426 859902542 /nfs/dbraw/zinc/90/25/42/859902542.db2.gz LGAASVKEIPHINC-UHFFFAOYSA-N -1 1 381.274 3.719 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cc(C(F)(F)F)ccn1 ZINC000765344263 859921980 /nfs/dbraw/zinc/92/19/80/859921980.db2.gz FGVDWOHKRHZEAC-UHFFFAOYSA-N -1 1 390.159 3.890 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCc2ccccc2C1 ZINC000765478102 859987881 /nfs/dbraw/zinc/98/78/81/859987881.db2.gz IMWBCOSEBONNLC-OAHLLOKOSA-N -1 1 375.266 3.511 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000765534662 860106897 /nfs/dbraw/zinc/10/68/97/860106897.db2.gz LXDFORVHWJDCTN-HYVNUMGLSA-N -1 1 387.277 3.682 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])C1CC(OCc2ccccc2)C1 ZINC000765726003 860479425 /nfs/dbraw/zinc/47/94/25/860479425.db2.gz BTVDGLNPSBKYLZ-UHFFFAOYSA-N -1 1 390.277 3.766 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000765736640 860533284 /nfs/dbraw/zinc/53/32/84/860533284.db2.gz QDOWXTKXNOLGEQ-INIZCTEOSA-N -1 1 390.277 3.979 20 10 GHCDMM COc1ccc(Cl)cc1NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765751540 860564710 /nfs/dbraw/zinc/56/47/10/860564710.db2.gz FXGFMEVOQKERQM-UHFFFAOYSA-N -1 1 399.672 3.545 20 10 GHCDMM COc1cccc(/C(C)=C\C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752871 860567238 /nfs/dbraw/zinc/56/72/38/860567238.db2.gz ZNSTWUVFOQGBJB-XFXZXTDPSA-N -1 1 376.250 3.883 20 10 GHCDMM COc1ccc2c(c1)[C@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000765752690 860567883 /nfs/dbraw/zinc/56/78/83/860567883.db2.gz YUZHYXKYBOTNIZ-CQSZACIVSA-N -1 1 376.250 3.510 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-c2cc[nH]n2)s1 ZINC000765752631 860567903 /nfs/dbraw/zinc/56/79/03/860567903.db2.gz YDRWQEDYBTTYMP-UHFFFAOYSA-N -1 1 378.251 3.536 20 10 GHCDMM CCCc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766207489 863993859 /nfs/dbraw/zinc/99/38/59/863993859.db2.gz OBRUJXDEKBLRDM-UHFFFAOYSA-N -1 1 384.295 3.586 20 10 GHCDMM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccc(O)c([O-])c1Cl ZINC001193236649 870964246 /nfs/dbraw/zinc/96/42/46/870964246.db2.gz LCHUDOQVCFJHTK-NSHDSACASA-N -1 1 376.623 3.521 20 10 GHCDMM Cc1c(Br)cccc1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001196549533 873202066 /nfs/dbraw/zinc/20/20/66/873202066.db2.gz AYIYCUBLACMDPC-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM COc1ccc(CN(CCO)Cc2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000093363755 912222919 /nfs/dbraw/zinc/22/29/19/912222919.db2.gz ZLKZDQQANASXMF-UHFFFAOYSA-N -1 1 386.275 3.711 20 10 GHCDMM O=C(NCc1cccc(COCc2ccccc2)c1)c1c(F)ccc(O)c1[O-] ZINC000789956355 879364148 /nfs/dbraw/zinc/36/41/48/879364148.db2.gz FCVWPIOFUCYJAP-UHFFFAOYSA-N -1 1 381.403 3.884 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Br)cc2cccnc21 ZINC000808105362 886019106 /nfs/dbraw/zinc/01/91/06/886019106.db2.gz DBCDOLLRFRJOJG-UHFFFAOYSA-N -1 1 397.225 3.643 20 10 GHCDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115701 886025889 /nfs/dbraw/zinc/02/58/89/886025889.db2.gz OTOIUPLDZANNOO-UHFFFAOYSA-N -1 1 381.168 3.547 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc(C2OCCO2)c1 ZINC000808854262 886881709 /nfs/dbraw/zinc/88/17/09/886881709.db2.gz APDCHCCDGSIVBR-UHFFFAOYSA-N -1 1 393.237 3.522 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2cc(Br)ccc2[O-])c1[O-] ZINC000809713122 887734316 /nfs/dbraw/zinc/73/43/16/887734316.db2.gz JEFKZFSPLVSSNF-UHFFFAOYSA-N -1 1 387.617 3.712 20 10 GHCDMM CC(C)(C)c1ccc(OCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916591255 889153894 /nfs/dbraw/zinc/15/38/94/889153894.db2.gz CPYCUJBWYSOSNP-UHFFFAOYSA-N -1 1 386.444 3.980 20 10 GHCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1O ZINC000811703722 889880088 /nfs/dbraw/zinc/88/00/88/889880088.db2.gz BPTIEMVSWOZXSU-UHFFFAOYSA-N -1 1 388.445 3.773 20 10 GHCDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000811824200 890040452 /nfs/dbraw/zinc/04/04/52/890040452.db2.gz MXMFIDCHZJMAIC-UHFFFAOYSA-N -1 1 380.897 3.887 20 10 GHCDMM O=c1cc(NCc2cc(Cl)c3cccnc3c2[O-])cnn1Cc1ccccc1 ZINC001168522083 890331827 /nfs/dbraw/zinc/33/18/27/890331827.db2.gz OSOIGZRKJYLPIA-UHFFFAOYSA-N -1 1 392.846 3.811 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)c1[O-] ZINC000795118385 890352483 /nfs/dbraw/zinc/35/24/83/890352483.db2.gz BJOAUTVWTPRLNR-BETUJISGSA-N -1 1 380.916 3.716 20 10 GHCDMM O=S(=O)(CC12CCC(CC1)CC2)NCc1cccc(Br)c1[O-] ZINC000814390254 892629626 /nfs/dbraw/zinc/62/96/26/892629626.db2.gz CEWWCGAJWWYMRQ-UHFFFAOYSA-N -1 1 388.327 3.545 20 10 GHCDMM CO[C@H](C)c1nc(CN2CCCN(Cc3ccc(F)c(F)c3[O-])CC2)cs1 ZINC000876806174 893337453 /nfs/dbraw/zinc/33/74/53/893337453.db2.gz LZRAUSJGEDWOBS-CYBMUJFWSA-N -1 1 397.491 3.542 20 10 GHCDMM COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]c4cc(O)ccc43)c2C)cc1 ZINC000820218050 897245623 /nfs/dbraw/zinc/24/56/23/897245623.db2.gz DKCQGRNCJIPTJL-UHFFFAOYSA-N -1 1 376.416 3.937 20 10 GHCDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)ccc1F ZINC001186187993 914350311 /nfs/dbraw/zinc/35/03/11/914350311.db2.gz GBOFEKVJFVMAHG-UHFFFAOYSA-N -1 1 397.383 3.536 20 10 GHCDMM CCOc1cccc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)c1O ZINC000825011286 899919869 /nfs/dbraw/zinc/91/98/69/899919869.db2.gz DZOKNLFTZGXNCH-UHFFFAOYSA-N -1 1 382.382 3.890 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2csc(C(C)(C)O)n2)c1 ZINC000825153985 900006274 /nfs/dbraw/zinc/00/62/74/900006274.db2.gz WHMIDSLUWZJZLD-UHFFFAOYSA-N -1 1 385.327 3.779 20 10 GHCDMM Cc1c(CNC(=O)OC(C)(C)C)c(NCc2cccc(Cl)c2[O-])nn1C ZINC000826686047 904938077 /nfs/dbraw/zinc/93/80/77/904938077.db2.gz JBAWBFZGPMHOFK-UHFFFAOYSA-N -1 1 380.876 3.724 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC001175196144 907408661 /nfs/dbraw/zinc/40/86/61/907408661.db2.gz WLKSVVDPPSCCKI-IAQYHMDHSA-N -1 1 382.888 3.736 20 10 GHCDMM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(F)cc2[O-])c2nccn2C)c1 ZINC000184960252 907685891 /nfs/dbraw/zinc/68/58/91/907685891.db2.gz JJWDXNLZGPIECM-RBZFPXEDSA-N -1 1 385.439 3.722 20 10 GHCDMM CN(CC(F)F)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001179854923 909770853 /nfs/dbraw/zinc/77/08/53/909770853.db2.gz KQWHMBHWVBKCGD-UHFFFAOYSA-N -1 1 397.691 3.969 20 10 GHCDMM Cc1cc(Br)cc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001191306728 917910121 /nfs/dbraw/zinc/91/01/21/917910121.db2.gz UAGUVCLDAPMFON-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM COc1cccc(CCC(=O)NCc2cccc(Br)c2[O-])c1F ZINC000803214707 922789315 /nfs/dbraw/zinc/78/93/15/922789315.db2.gz ZVOSRCWGSZURLY-UHFFFAOYSA-N -1 1 382.229 3.551 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Br)sc1Cl ZINC000758168512 929958686 /nfs/dbraw/zinc/95/86/86/929958686.db2.gz AWYIUPHUIMUEJE-UHFFFAOYSA-N -1 1 386.651 3.810 20 10 GHCDMM CC(C)Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000758284798 930001272 /nfs/dbraw/zinc/00/12/72/930001272.db2.gz JEHNJGTVHCGONX-UHFFFAOYSA-N -1 1 379.463 3.503 20 10 GHCDMM O=C(COC(=O)c1csc(-c2ccccc2Cl)n1)c1ccc([O-])c(O)c1 ZINC000783422268 931543671 /nfs/dbraw/zinc/54/36/71/931543671.db2.gz LOMKMUQFNJEWGB-UHFFFAOYSA-N -1 1 389.816 3.914 20 10 GHCDMM O=C(COC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783437517 931545750 /nfs/dbraw/zinc/54/57/50/931545750.db2.gz NAJDHLNLWNLCKK-RYUDHWBXSA-N -1 1 381.211 3.934 20 10 GHCDMM C[C@@H](Cc1ccccc1)n1cccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784529187 931926213 /nfs/dbraw/zinc/92/62/13/931926213.db2.gz GGOMQSOPFSZRHE-HNNXBMFYSA-N -1 1 379.412 3.743 20 10 GHCDMM COc1ccc2occ(C(=O)NCc3cccc(Br)c3[O-])c2c1 ZINC000799729678 933101426 /nfs/dbraw/zinc/10/14/26/933101426.db2.gz TYRUKFKPMKDPOU-UHFFFAOYSA-N -1 1 376.206 3.840 20 10 GHCDMM O=C([O-])[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840997413 955584088 /nfs/dbraw/zinc/58/40/88/955584088.db2.gz DYTUPODUUPQMHB-OAHLLOKOSA-N -1 1 381.314 3.736 20 10 GHCDMM COc1ccc2cc([O-])c(C(=O)N3CCCc4cc(O)c(O)cc4C3)cc2c1 ZINC001154754761 1032273230 /nfs/dbraw/zinc/27/32/30/1032273230.db2.gz ZCPSLXZGDZSVTQ-UHFFFAOYSA-N -1 1 379.412 3.554 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H](c1cccnc1)C1CC1 ZINC001228110352 1032786776 /nfs/dbraw/zinc/78/67/76/1032786776.db2.gz IUYKKCMCZNHDFV-NRFANRHFSA-N -1 1 377.396 3.960 20 10 GHCDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000195669294 1020971980 /nfs/dbraw/zinc/97/19/80/1020971980.db2.gz ZVIPCHWRUYERLV-UHFFFAOYSA-N -1 1 397.884 3.573 20 10 GHCDMM C[C@H](NCc1ccon1)c1cc(Br)cc(Br)c1[O-] ZINC000756638045 1023748896 /nfs/dbraw/zinc/74/88/96/1023748896.db2.gz RBLIYHJFYXWMHF-ZETCQYMHSA-N -1 1 376.048 3.756 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H](Oc2ccncc2)C1 ZINC001141374467 1024767285 /nfs/dbraw/zinc/76/72/85/1024767285.db2.gz JEYDQCOIHYTPSV-AWEZNQCLSA-N -1 1 383.673 3.856 20 10 GHCDMM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141377061 1024774737 /nfs/dbraw/zinc/77/47/37/1024774737.db2.gz HZEIVYFDTZWFLT-SNVBAGLBSA-N -1 1 376.678 3.583 20 10 GHCDMM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(Cl)cc(Cl)c3[O-])O2)n1 ZINC001203575270 1027443704 /nfs/dbraw/zinc/44/37/04/1027443704.db2.gz IMDLOYBCJYQHCY-RBSFLKMASA-N -1 1 384.263 3.885 20 10 GHCDMM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203582203 1027450581 /nfs/dbraw/zinc/45/05/81/1027450581.db2.gz WKNJONMSUHQFCQ-CQSZACIVSA-N -1 1 389.323 3.595 20 10 GHCDMM C[C@@H](Sc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)C(=O)[O-] ZINC000841818805 1028966458 /nfs/dbraw/zinc/96/64/58/1028966458.db2.gz WBQJCSMDQCMZEI-MRXNPFEDSA-N -1 1 385.533 3.616 20 10 GHCDMM COc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c2c[nH]nc21 ZINC001215751614 1029380278 /nfs/dbraw/zinc/38/02/78/1029380278.db2.gz UJVXPNFXXQCVKJ-UHFFFAOYSA-N -1 1 385.379 3.796 20 10 GHCDMM CCc1cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)ccc1F ZINC001217056897 1030130236 /nfs/dbraw/zinc/13/02/36/1030130236.db2.gz VXSWRVLQKVFYFM-UHFFFAOYSA-N -1 1 383.423 3.643 20 10 GHCDMM CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3c(c1)C(=O)c1ccc([O-])cc1C3=O)C2 ZINC001229192174 1033332328 /nfs/dbraw/zinc/33/23/28/1033332328.db2.gz HXQZMGMGILCLTK-HWWDLCQESA-N -1 1 391.467 3.950 20 10 GHCDMM CC(C)CC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229784958 1033711586 /nfs/dbraw/zinc/71/15/86/1033711586.db2.gz DBRUJGLKMOLJST-NSHDSACASA-N -1 1 376.405 3.649 20 10 GHCDMM C[C@@H]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1C ZINC001229786979 1033712560 /nfs/dbraw/zinc/71/25/60/1033712560.db2.gz PRAADFCHVMTEIW-NTZNESFSSA-N -1 1 388.416 3.649 20 10 GHCDMM O=C([O-])c1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(O)c1 ZINC001231452682 1034596137 /nfs/dbraw/zinc/59/61/37/1034596137.db2.gz RJXMVWGBVKIFLP-UHFFFAOYSA-N -1 1 395.286 3.715 20 10 GHCDMM Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231561167 1034713661 /nfs/dbraw/zinc/71/36/61/1034713661.db2.gz SCCUAQIVHZUABX-GOSISDBHSA-N -1 1 382.460 3.700 20 10 GHCDMM CN1CCN(Cc2c([O-])cc(Br)cc2F)[C@@H](c2ccccc2)C1 ZINC001233027239 1038778448 /nfs/dbraw/zinc/77/84/48/1038778448.db2.gz OJADMHGSUZIQDX-QGZVFWFLSA-N -1 1 379.273 3.783 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])[C@@H]2C1 ZINC001233416297 1039271200 /nfs/dbraw/zinc/27/12/00/1039271200.db2.gz CNCKDQGMTVSLQI-SWLSCSKDSA-N -1 1 386.414 3.852 20 10 GHCDMM CCCC(=O)c1cc(O)c(O)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001233494253 1039386329 /nfs/dbraw/zinc/38/63/29/1039386329.db2.gz AXKRXBWJICENFQ-SFHVURJKSA-N -1 1 399.487 3.751 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235301393 1040774805 /nfs/dbraw/zinc/77/48/05/1040774805.db2.gz GYTBBIGIIAGWTL-LLVKDONJSA-N -1 1 388.277 3.848 20 10 GHCDMM COc1cc([O-])c(CN2CCN(c3ccccc3Cl)C(=O)C2)c(Cl)c1 ZINC001236806669 1041907989 /nfs/dbraw/zinc/90/79/89/1041907989.db2.gz YUAGEKMIAHSKTP-UHFFFAOYSA-N -1 1 381.259 3.556 20 10 GHCDMM O=C(c1ccc(F)cc1)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237083073 1042027601 /nfs/dbraw/zinc/02/76/01/1042027601.db2.gz YCCSVDLJCIRQMD-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2ncn(CC3CC3)c21 ZINC001237123197 1042050626 /nfs/dbraw/zinc/05/06/26/1042050626.db2.gz IFMYUCBYZXPMAM-CQSZACIVSA-N -1 1 393.890 3.927 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CC1(F)F ZINC001237127234 1042053945 /nfs/dbraw/zinc/05/39/45/1042053945.db2.gz XKEVAGAVPJFATQ-CYBMUJFWSA-N -1 1 394.821 3.919 20 10 GHCDMM C[C@]1(CF)CC(F)(F)CN1Cc1cccc(I)c1[O-] ZINC001237776239 1042364085 /nfs/dbraw/zinc/36/40/85/1042364085.db2.gz JLSCJTIHARAPQM-GFCCVEGCSA-N -1 1 385.167 3.566 20 10 GHCDMM O=C1CCC[C@@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@H]12 ZINC001237786684 1042369088 /nfs/dbraw/zinc/36/90/88/1042369088.db2.gz PAULCXNDEPZRIV-SKDRFNHKSA-N -1 1 392.215 3.975 20 10 GHCDMM O=S(=O)(Nc1c(Cl)ccc([O-])c1Cl)c1cccc2nsnc21 ZINC001260388042 1045486518 /nfs/dbraw/zinc/48/65/18/1045486518.db2.gz NBNWZGKELIHNQV-UHFFFAOYSA-N -1 1 376.246 3.505 20 10 GHCDMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1Cl)c1cccc2nonc21 ZINC001260441066 1045496193 /nfs/dbraw/zinc/49/61/93/1045496193.db2.gz LOQIGPXRMZNSQV-UHFFFAOYSA-N -1 1 377.731 3.696 20 10 GHCDMM Cc1cc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)ccc1Br ZINC001261047623 1045866270 /nfs/dbraw/zinc/86/62/70/1045866270.db2.gz FAZRHOYOLLRBLG-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261073038 1045888478 /nfs/dbraw/zinc/88/84/78/1045888478.db2.gz NYGNVCXQVKLAHL-UHFFFAOYSA-N -1 1 386.216 3.533 20 10 GHCDMM Cc1ncsc1CN1CCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279663697 1047903761 /nfs/dbraw/zinc/90/37/61/1047903761.db2.gz BFVMGGHPBDHMAL-UHFFFAOYSA-N -1 1 384.332 3.924 20 10 GHCDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000732526448 1049093325 /nfs/dbraw/zinc/09/33/25/1049093325.db2.gz RYMIPGVMHWQRCS-UHFFFAOYSA-N -1 1 395.868 3.958 20 10 GHCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001450723704 1060668792 /nfs/dbraw/zinc/66/87/92/1060668792.db2.gz NMNKNPMKWADRIF-UHFFFAOYSA-N -1 1 396.205 3.659 20 10 GHCDMM CC(C)n1c2ccccc2n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc21 ZINC000847213610 1064907169 /nfs/dbraw/zinc/90/71/69/1064907169.db2.gz USNCTCKMZUZRAB-UHFFFAOYSA-N -1 1 382.445 3.651 20 10 GHCDMM C[C@H]1Cc2cc(S(=O)(=O)NCc3cccc(Cl)c3[O-])cc(Cl)c2O1 ZINC001464786086 1065210970 /nfs/dbraw/zinc/21/09/70/1065210970.db2.gz BXNRHLHBMPJXAZ-VIFPVBQESA-N -1 1 388.272 3.501 20 10 GHCDMM COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001464789955 1065212925 /nfs/dbraw/zinc/21/29/25/1065212925.db2.gz QASUDFUWLBKOFS-UHFFFAOYSA-N -1 1 383.897 3.830 20 10 GHCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])c1 ZINC001465993843 1065948912 /nfs/dbraw/zinc/94/89/12/1065948912.db2.gz XSMALYHQSOTIJO-GFCCVEGCSA-N -1 1 381.384 3.670 20 10 GHCDMM O=C(NCCc1ccc(Br)cc1)NCc1cccc(Cl)c1[O-] ZINC001468769832 1067872950 /nfs/dbraw/zinc/87/29/50/1067872950.db2.gz INRKVOCKOBBVGF-UHFFFAOYSA-N -1 1 383.673 3.850 20 10 GHCDMM C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CN1C(=O)OC(C)(C)C ZINC001479079644 1079095531 /nfs/dbraw/zinc/09/55/31/1079095531.db2.gz ZTCCCRPRKLWSIS-GXTWGEPZSA-N -1 1 397.903 3.633 20 10 GHCDMM Cc1sc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nc1-c1ccccc1 ZINC000832904366 600975500 /nfs/dbraw/zinc/97/55/00/600975500.db2.gz IZRQBGYOUGRKTQ-UHFFFAOYSA-N -1 1 388.470 3.926 20 10 GHCDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000893851853 844215780 /nfs/dbraw/zinc/21/57/80/844215780.db2.gz VUKOCPMZCXHEMP-UHFFFAOYSA-N -1 1 382.508 3.877 20 10 GHCDMM CC(C)C(=O)NC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893944445 844274237 /nfs/dbraw/zinc/27/42/37/844274237.db2.gz ZEGQTJJOBBBHHA-UHFFFAOYSA-N -1 1 389.721 3.545 20 10 GHCDMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)NCc1cccc(Cl)c1[O-] ZINC000891798210 843089762 /nfs/dbraw/zinc/08/97/62/843089762.db2.gz OHVDSPSGTLXAAT-UHFFFAOYSA-N -1 1 387.867 3.784 20 10 GHCDMM O=C(CSc1nnc(NCCc2cccs2)s1)c1ccc([O-])c(O)c1 ZINC000028693994 851933275 /nfs/dbraw/zinc/93/32/75/851933275.db2.gz LVVLNPFKGUBFCZ-UHFFFAOYSA-N -1 1 393.515 3.640 20 10 GHCDMM CC(=O)Nc1ccc(NC(=S)NCc2cccc(Br)c2[O-])cc1 ZINC000765978906 859281327 /nfs/dbraw/zinc/28/13/27/859281327.db2.gz YBYZVZPVORLDNR-UHFFFAOYSA-N -1 1 394.294 3.600 20 10 GHCDMM C[C@H](CCc1ccccc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764748422 859589391 /nfs/dbraw/zinc/58/93/91/859589391.db2.gz XGCYIHOPIOESTP-CYBMUJFWSA-N -1 1 377.282 3.975 20 10 GHCDMM CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000764805283 859617150 /nfs/dbraw/zinc/61/71/50/859617150.db2.gz KDOSLSLBIHAPOF-GOEBONIOSA-N -1 1 399.329 3.938 20 10 GHCDMM O=C(NCc1ccc(Cl)cc1F)NCc1cccc(Br)c1[O-] ZINC000764807386 859618234 /nfs/dbraw/zinc/61/82/34/859618234.db2.gz SOVDJDDSZCUOPG-UHFFFAOYSA-N -1 1 387.636 3.947 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000764786040 859619305 /nfs/dbraw/zinc/61/93/05/859619305.db2.gz XZJYCTDSBYVUTC-QMTHXVAHSA-N -1 1 397.219 3.788 20 10 GHCDMM CC(C)Cc1nnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765218816 859844277 /nfs/dbraw/zinc/84/42/77/859844277.db2.gz SSRFFMVVGZYVNC-UHFFFAOYSA-N -1 1 385.287 3.526 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000765730561 860498164 /nfs/dbraw/zinc/49/81/64/860498164.db2.gz CZQFRJQBJOSHHA-NWDGAFQWSA-N -1 1 382.204 3.853 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000792702615 881628595 /nfs/dbraw/zinc/62/85/95/881628595.db2.gz BEEZIXWOFQVTGR-UHFFFAOYSA-N -1 1 379.381 3.814 20 10 GHCDMM COc1ccccc1CC1(CNC(=O)c2ccc(O)c([O-])c2Cl)CCC1 ZINC001193247356 870973538 /nfs/dbraw/zinc/97/35/38/870973538.db2.gz VVUHVIPEEDZBKS-UHFFFAOYSA-N -1 1 375.852 3.903 20 10 GHCDMM O=c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1-c1ccncc1 ZINC001168526065 871111571 /nfs/dbraw/zinc/11/15/71/871111571.db2.gz RGBRFWAHCDSQPH-UHFFFAOYSA-N -1 1 378.819 3.752 20 10 GHCDMM CC(C)Oc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1C(F)(F)F ZINC001193726247 871247554 /nfs/dbraw/zinc/24/75/54/871247554.db2.gz AOYZFALYCLJOEK-UHFFFAOYSA-N -1 1 397.349 3.517 20 10 GHCDMM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc2c(Cl)c[nH]c(=O)c2c1 ZINC001194371552 871643117 /nfs/dbraw/zinc/64/31/17/871643117.db2.gz GZNAXNSKSDFWIP-UHFFFAOYSA-N -1 1 378.837 3.717 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c(C)cc1O ZINC001194373088 871646451 /nfs/dbraw/zinc/64/64/51/871646451.db2.gz PMSCVOLKOMMWHJ-UHFFFAOYSA-N -1 1 378.837 3.717 20 10 GHCDMM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194749520 871905952 /nfs/dbraw/zinc/90/59/52/871905952.db2.gz BACZYEJEVBJYHU-UHFFFAOYSA-N -1 1 391.876 3.824 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)ccc1O ZINC001196436044 873085851 /nfs/dbraw/zinc/08/58/51/873085851.db2.gz VLJOUWUKTALBLR-UHFFFAOYSA-N -1 1 391.832 3.786 20 10 GHCDMM O=C(COC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc([O-])c(O)c1 ZINC000784361859 877183474 /nfs/dbraw/zinc/18/34/74/877183474.db2.gz CQHQZKOHGAQIBS-UHFFFAOYSA-N -1 1 383.787 3.853 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC3(CCOCC3)CC2)c1[O-] ZINC000789528164 879050837 /nfs/dbraw/zinc/05/08/37/879050837.db2.gz AIORJAMMKNYJHE-UHFFFAOYSA-N -1 1 381.472 3.721 20 10 GHCDMM Cc1cc(C(=O)N2CCOCC2)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000789891250 879339459 /nfs/dbraw/zinc/33/94/59/879339459.db2.gz UNRHHOXSVJNCEM-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM CCOC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])c1cccc(O)c1 ZINC000792175036 880965227 /nfs/dbraw/zinc/96/52/27/880965227.db2.gz PRGDOWJIAGBEJW-MRXNPFEDSA-N -1 1 394.265 3.563 20 10 GHCDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000808097516 886015738 /nfs/dbraw/zinc/01/57/38/886015738.db2.gz IPBJLWQGBNYMBE-UHFFFAOYSA-N -1 1 390.505 3.717 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114246 886025693 /nfs/dbraw/zinc/02/56/93/886025693.db2.gz UVVSHVLBRHXVCJ-UHFFFAOYSA-N -1 1 381.168 3.547 20 10 GHCDMM O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(Cl)c1 ZINC000808115742 886026620 /nfs/dbraw/zinc/02/66/20/886026620.db2.gz QSFOHLDDUFAXDQ-UHFFFAOYSA-N -1 1 381.168 3.547 20 10 GHCDMM CC[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000866439395 888878706 /nfs/dbraw/zinc/87/87/06/888878706.db2.gz GUBDBLVOSJKWSZ-CQSZACIVSA-N -1 1 385.295 3.952 20 10 GHCDMM CCOCCCNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525434 894923464 /nfs/dbraw/zinc/92/34/64/894923464.db2.gz TUGXPWIJWGFTQA-UHFFFAOYSA-N -1 1 380.847 3.953 20 10 GHCDMM CO[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C[C@H]1C ZINC000824815706 899823272 /nfs/dbraw/zinc/82/32/72/899823272.db2.gz XDAJBUWHJYRDNZ-RNCFNFMXSA-N -1 1 393.119 3.774 20 10 GHCDMM COc1cc(OC)cc([C@H](N[C@@H](C)c2c([O-])cccc2F)c2nccn2C)c1 ZINC000886498807 901081094 /nfs/dbraw/zinc/08/10/94/901081094.db2.gz QRCBJFFJHOMVOU-RBZFPXEDSA-N -1 1 385.439 3.722 20 10 GHCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000189435020 905065462 /nfs/dbraw/zinc/06/54/62/905065462.db2.gz JIUCGYFAZAFCQE-UHFFFAOYSA-N -1 1 384.457 3.867 20 10 GHCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1c(F)ccc(F)c1F ZINC000773409591 907221499 /nfs/dbraw/zinc/22/14/99/907221499.db2.gz ZSQUXAUMMQLJNO-CYBMUJFWSA-N -1 1 398.812 3.857 20 10 GHCDMM COc1cccc(-c2cc(NCc3cc(Cl)cc(F)c3[O-])n(CCO)n2)c1 ZINC001177641950 908659996 /nfs/dbraw/zinc/65/99/96/908659996.db2.gz PUAZZCXODOOVRO-UHFFFAOYSA-N -1 1 391.830 3.661 20 10 GHCDMM Cn1c(=O)ccc2ccc(NCc3cc(Br)cc(F)c3[O-])cc21 ZINC001178580964 909105376 /nfs/dbraw/zinc/10/53/76/909105376.db2.gz AQUFZFIBLDYGHQ-UHFFFAOYSA-N -1 1 377.213 3.758 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1csc(-c2ccc3c(c2)OCO3)n1 ZINC001180410189 910151393 /nfs/dbraw/zinc/15/13/93/910151393.db2.gz LOCDOXKNRAJTOD-UHFFFAOYSA-N -1 1 388.832 3.828 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC001180411367 910151477 /nfs/dbraw/zinc/15/14/77/910151477.db2.gz XMDOLIOUUOXUKQ-UHFFFAOYSA-N -1 1 385.826 3.789 20 10 GHCDMM C[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1n1ccnc1 ZINC000246409125 910288169 /nfs/dbraw/zinc/28/81/69/910288169.db2.gz BYASHBCXIJZDND-OXJNMPFZSA-N -1 1 391.471 3.608 20 10 GHCDMM C[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1n1ccnc1 ZINC000246409125 910288185 /nfs/dbraw/zinc/28/81/85/910288185.db2.gz BYASHBCXIJZDND-OXJNMPFZSA-N -1 1 391.471 3.608 20 10 GHCDMM CCc1nc(CN2CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CC2)cs1 ZINC000750038954 927401271 /nfs/dbraw/zinc/40/12/71/927401271.db2.gz NHPOKPAETNYRDO-UHFFFAOYSA-N -1 1 393.940 3.585 20 10 GHCDMM CC(C)c1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2cnn(C(C)C)c2n1 ZINC000782481334 931237095 /nfs/dbraw/zinc/23/70/95/931237095.db2.gz AUJMJBMSVNRFQK-UHFFFAOYSA-N -1 1 397.431 3.587 20 10 GHCDMM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782872800 931356807 /nfs/dbraw/zinc/35/68/07/931356807.db2.gz VRJZKHYUBLUALP-VIFPVBQESA-N -1 1 385.199 3.598 20 10 GHCDMM C[C@H](Oc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1)c1ccccc1 ZINC000782964396 931376193 /nfs/dbraw/zinc/37/61/93/931376193.db2.gz VBOPSKAWMBFHOV-AWEZNQCLSA-N -1 1 393.395 3.673 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc([O-])c(O)c1 ZINC000783540821 931576695 /nfs/dbraw/zinc/57/66/95/931576695.db2.gz DHJTZHFBHAXUHK-QWHCGFSZSA-N -1 1 381.211 3.934 20 10 GHCDMM Cc1ccc(OCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Cl)c1 ZINC000784212353 931817094 /nfs/dbraw/zinc/81/70/94/931817094.db2.gz ABJMNFPJJHPBIV-UHFFFAOYSA-N -1 1 378.808 3.645 20 10 GHCDMM C[C@@H](NCc1nc2c(s1)COCC2)c1cc(Br)cc(F)c1[O-] ZINC000927121601 932421370 /nfs/dbraw/zinc/42/13/70/932421370.db2.gz NTHJUHDMMCAXAK-MRVPVSSYSA-N -1 1 387.274 3.674 20 10 GHCDMM O=C(NCCc1ccc2[nH]ccc2c1)NCc1cccc(Br)c1[O-] ZINC000799717735 933099150 /nfs/dbraw/zinc/09/91/50/933099150.db2.gz JWCJHXNBORRMHS-UHFFFAOYSA-N -1 1 388.265 3.678 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCn3c(nnc3C3CCCC3)C2)c1 ZINC001116526250 933611132 /nfs/dbraw/zinc/61/11/32/933611132.db2.gz ODQAEQOENWSJJB-UHFFFAOYSA-N -1 1 391.313 3.728 20 10 GHCDMM CNc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228374 1032464264 /nfs/dbraw/zinc/46/42/64/1032464264.db2.gz NACMLSUODGSZMA-UHFFFAOYSA-N -1 1 394.305 3.517 20 10 GHCDMM C[C@@H](Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2)C(F)(F)F ZINC001228195823 1032835001 /nfs/dbraw/zinc/83/50/01/1032835001.db2.gz WNTLJQJPDXLXSA-XLKFXECMSA-N -1 1 384.306 3.840 20 10 GHCDMM COc1ccc(OC(C)(C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000834476506 1021214650 /nfs/dbraw/zinc/21/46/50/1021214650.db2.gz ZZCFGYGHJNWCQT-UHFFFAOYSA-N -1 1 394.265 3.637 20 10 GHCDMM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000834514974 1021237624 /nfs/dbraw/zinc/23/76/24/1021237624.db2.gz YCTQRBCVCUVKDW-UHFFFAOYSA-N -1 1 388.439 3.534 20 10 GHCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c(C)c1 ZINC000755983547 1023465049 /nfs/dbraw/zinc/46/50/49/1023465049.db2.gz FZTMZAAOEHPBSC-UHFFFAOYSA-N -1 1 377.462 3.720 20 10 GHCDMM CC(C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000837087426 1024006677 /nfs/dbraw/zinc/00/66/77/1024006677.db2.gz CDYSTKYFMKUSDK-UHFFFAOYSA-N -1 1 396.896 3.720 20 10 GHCDMM COc1ccc2c(c1)c1c(n2CC(=O)Nc2nc(Cl)ccc2[O-])CCCC1 ZINC001161179940 1024435334 /nfs/dbraw/zinc/43/53/34/1024435334.db2.gz ZUGFFDGERGQRJB-UHFFFAOYSA-N -1 1 385.851 3.921 20 10 GHCDMM C[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@]1(C)O ZINC001203565312 1027436000 /nfs/dbraw/zinc/43/60/00/1027436000.db2.gz ZXZXHGKYURLWEB-OTYXRUKQSA-N -1 1 393.119 3.510 20 10 GHCDMM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCCCC1 ZINC001203586084 1027452233 /nfs/dbraw/zinc/45/22/33/1027452233.db2.gz KHGSLURCWNABGF-UHFFFAOYSA-N -1 1 386.323 3.859 20 10 GHCDMM COc1cc(C)nc(OC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC001203586647 1027454187 /nfs/dbraw/zinc/45/41/87/1027454187.db2.gz SIFVMPBLLAGYNH-UHFFFAOYSA-N -1 1 398.290 3.849 20 10 GHCDMM COc1ccnc(O[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC001203586161 1027454643 /nfs/dbraw/zinc/45/46/43/1027454643.db2.gz LWEFWCRMJCUKIL-ZDUSSCGKSA-N -1 1 384.263 3.541 20 10 GHCDMM O=c1ccc2cc(Nc3cc4c(cc3[O-])C(=O)c3ccccc3C4=O)ccc2[nH]1 ZINC001213777150 1028375729 /nfs/dbraw/zinc/37/57/29/1028375729.db2.gz LLTDOINHZCZTRQ-UHFFFAOYSA-N -1 1 382.375 3.753 20 10 GHCDMM C[C@H]1CC2(C[N@@H+]1Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])CCOCC2 ZINC000842636954 1029444537 /nfs/dbraw/zinc/44/45/37/1029444537.db2.gz GWYIGGGOKCKKST-INIZCTEOSA-N -1 1 381.472 3.720 20 10 GHCDMM C[C@H]1CC2(C[N@H+]1Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])CCOCC2 ZINC000842636954 1029444539 /nfs/dbraw/zinc/44/45/39/1029444539.db2.gz GWYIGGGOKCKKST-INIZCTEOSA-N -1 1 381.472 3.720 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3cccc4c3CCCC4)no2)cc1CN1CCOCC1 ZINC001217056251 1030128920 /nfs/dbraw/zinc/12/89/20/1030128920.db2.gz JBIAFRKQUXZVFL-UHFFFAOYSA-N -1 1 391.471 3.820 20 10 GHCDMM Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])c(O[C@H]2CCOC2)c1 ZINC001223897734 1030800529 /nfs/dbraw/zinc/80/05/29/1030800529.db2.gz BPRPXMXYCPVUJF-INIZCTEOSA-N -1 1 390.867 3.521 20 10 GHCDMM COc1cc([O-])c2c(=O)c(O[C@H]3C=CCC3)c(-c3ccc(O)c(O)c3)oc2c1 ZINC001229791343 1033718238 /nfs/dbraw/zinc/71/82/38/1033718238.db2.gz PMQQHCBAECHEGM-LBPRGKRZSA-N -1 1 382.368 3.683 20 10 GHCDMM Cc1c([O-])cc2c(c1O[C@H](C)C(=O)OC(C)(C)C)C(=O)c1ccccc1C2=O ZINC001229829856 1033740060 /nfs/dbraw/zinc/74/00/60/1033740060.db2.gz YZOUZHAUMXEVKZ-GFCCVEGCSA-N -1 1 382.412 3.585 20 10 GHCDMM COc1c([O-])c(CN2CC(Oc3cccc(Cl)c3Cl)C2)ccc1[N+](=O)[O-] ZINC001206584471 1033914962 /nfs/dbraw/zinc/91/49/62/1033914962.db2.gz GUDXCUXWUVPKGX-UHFFFAOYSA-N -1 1 399.230 3.879 20 10 GHCDMM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159034599 1034393968 /nfs/dbraw/zinc/39/39/68/1034393968.db2.gz YIRHBSVSULEWTQ-SFHVURJKSA-N -1 1 388.895 3.815 20 10 GHCDMM O=C(CNC(F)(F)c1cc(Cl)c(Cl)nc1Cl)c1ccc([O-])c(O)c1 ZINC001159279718 1034520568 /nfs/dbraw/zinc/52/05/68/1034520568.db2.gz VPDIPADWNRNMNT-UHFFFAOYSA-N -1 1 397.592 3.975 20 10 GHCDMM O=C([O-])c1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)c(O)c1 ZINC001231452328 1034596700 /nfs/dbraw/zinc/59/67/00/1034596700.db2.gz LMXVCZONCHMRRM-UHFFFAOYSA-N -1 1 381.259 3.719 20 10 GHCDMM CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001208046428 1034716760 /nfs/dbraw/zinc/71/67/60/1034716760.db2.gz GIJRTYBLBFEZSO-UHFFFAOYSA-N -1 1 391.475 3.842 20 10 GHCDMM O=C([O-])c1ccc(O)c(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001231567232 1034716937 /nfs/dbraw/zinc/71/69/37/1034716937.db2.gz AWEIIXOBCMVZPV-QGZVFWFLSA-N -1 1 381.350 3.683 20 10 GHCDMM CCOC[C@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cnn(CC3CC3)c21 ZINC001231912373 1034986943 /nfs/dbraw/zinc/98/69/43/1034986943.db2.gz ZMJLOPAIFWZLKC-QGZVFWFLSA-N -1 1 375.900 3.788 20 10 GHCDMM O=C1CC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)Oc2ccc(F)cc21 ZINC001233336046 1039138879 /nfs/dbraw/zinc/13/88/79/1039138879.db2.gz WRQUSGVZBIPWQC-UHFFFAOYSA-N -1 1 377.362 3.810 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@@]1(F)CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419848 1039281840 /nfs/dbraw/zinc/28/18/40/1039281840.db2.gz OTPWUHRQICRXOD-KRWDZBQOSA-N -1 1 392.393 3.850 20 10 GHCDMM CC(C)(C)OC(=O)CC[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419890 1039281944 /nfs/dbraw/zinc/28/19/44/1039281944.db2.gz QNKLLSABQYETLF-CQSZACIVSA-N -1 1 389.414 3.734 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC(O)(c2ccccc2F)CC1 ZINC001235303009 1040774925 /nfs/dbraw/zinc/77/49/25/1040774925.db2.gz YIFSXFSMTZIDGK-UHFFFAOYSA-N -1 1 398.247 3.917 20 10 GHCDMM O=C(c1ccccc1F)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236797513 1041901673 /nfs/dbraw/zinc/90/16/73/1041901673.db2.gz YQPJOJGIPVJQDX-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM Cc1ccc(C(=O)N2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)cc1 ZINC001236799578 1041902238 /nfs/dbraw/zinc/90/22/38/1041902238.db2.gz PBLMOPGDTMCAMU-UHFFFAOYSA-N -1 1 379.287 3.965 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001237076949 1042024679 /nfs/dbraw/zinc/02/46/79/1042024679.db2.gz BINWBACXYLBNND-IBGZPJMESA-N -1 1 393.318 3.982 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2cnc(COCC3CC3)c2C1 ZINC001237079608 1042025719 /nfs/dbraw/zinc/02/57/19/1042025719.db2.gz MTZBKLRUWKHYIO-UHFFFAOYSA-N -1 1 382.291 3.838 20 10 GHCDMM O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237080897 1042026873 /nfs/dbraw/zinc/02/68/73/1042026873.db2.gz HHEUYSIJDCAGCX-CYBMUJFWSA-N -1 1 386.300 3.747 20 10 GHCDMM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237087502 1042029731 /nfs/dbraw/zinc/02/97/31/1042029731.db2.gz XTAAWRNLGPZXHO-NWDGAFQWSA-N -1 1 398.290 3.652 20 10 GHCDMM C[C@H]1CC[C@@H](CO)CN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237784157 1042367046 /nfs/dbraw/zinc/36/70/46/1042367046.db2.gz RHLZHWLDNWZTLK-VHSXEESVSA-N -1 1 382.220 3.766 20 10 GHCDMM CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2cn(CC3CC3)nc21 ZINC001237938594 1042429436 /nfs/dbraw/zinc/42/94/36/1042429436.db2.gz KXPAJAFQPJEQFV-MRXNPFEDSA-N -1 1 393.890 3.927 20 10 GHCDMM CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2ncn(CC3CC3)c21 ZINC001237939173 1042429850 /nfs/dbraw/zinc/42/98/50/1042429850.db2.gz UGCVFDLZHWEVSD-OAHLLOKOSA-N -1 1 393.890 3.927 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1F ZINC001237949470 1042434984 /nfs/dbraw/zinc/43/49/84/1042434984.db2.gz MQCGQJUMJVINRN-TZMCWYRMSA-N -1 1 376.831 3.622 20 10 GHCDMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1F)c1cccc2nsnc21 ZINC001260387740 1045486265 /nfs/dbraw/zinc/48/62/65/1045486265.db2.gz NWTLWRSKDMYWSP-UHFFFAOYSA-N -1 1 377.344 3.650 20 10 GHCDMM O=S(=O)([N-]c1ccc2cnccc2c1Cl)c1cccc2nsnc21 ZINC001260388750 1045487363 /nfs/dbraw/zinc/48/73/63/1045487363.db2.gz XIYBFOGYTULWLA-UHFFFAOYSA-N -1 1 376.850 3.694 20 10 GHCDMM Cc1cc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)ccc1Br ZINC001261047760 1045865691 /nfs/dbraw/zinc/86/56/91/1045865691.db2.gz JWCVPNLSMAHJAV-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001305084049 1047886884 /nfs/dbraw/zinc/88/68/84/1047886884.db2.gz FQMKNHVIEUIKKP-CYBMUJFWSA-N -1 1 382.888 3.699 20 10 GHCDMM CC(C)[C@H](C(=O)NCc1cccc(Cl)c1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001305084536 1047887052 /nfs/dbraw/zinc/88/70/52/1047887052.db2.gz KTFRQHPKFJOFLQ-WFASDCNBSA-N -1 1 384.904 3.847 20 10 GHCDMM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001279664035 1047904113 /nfs/dbraw/zinc/90/41/13/1047904113.db2.gz OSXMKCIVEJRURD-HNNXBMFYSA-N -1 1 393.314 3.866 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1csc(-c2ncccc2F)n1 ZINC001329519956 1050826550 /nfs/dbraw/zinc/82/65/50/1050826550.db2.gz SEEMBXSMXPIUSS-UHFFFAOYSA-N -1 1 375.772 3.786 20 10 GHCDMM O=C(NCc1ccc(Br)c(F)c1)NCc1cccc(Cl)c1[O-] ZINC001311888890 1052459529 /nfs/dbraw/zinc/45/95/29/1052459529.db2.gz XWUDIKSNFWLLDA-UHFFFAOYSA-N -1 1 387.636 3.947 20 10 GHCDMM CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC001457035804 1062955658 /nfs/dbraw/zinc/95/56/58/1062955658.db2.gz KIDNFFVZIGPBSW-AWEZNQCLSA-N -1 1 394.899 3.699 20 10 GHCDMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000849307237 1067794063 /nfs/dbraw/zinc/79/40/63/1067794063.db2.gz MOQNNFPVENPCIP-INIZCTEOSA-N -1 1 390.505 3.501 20 10 GHCDMM C/C(=C\C(=O)NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000765757656 1068120823 /nfs/dbraw/zinc/12/08/23/1068120823.db2.gz SIZDJKIFNLLKLH-PKNBQFBNSA-N -1 1 391.221 3.783 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(COc2ccccc2F)on1 ZINC001472316749 1073416960 /nfs/dbraw/zinc/41/69/60/1073416960.db2.gz GAFNZMSOUGHDQC-UHFFFAOYSA-N -1 1 376.771 3.682 20 10 GHCDMM CN1C(=O)C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])[C@@H]1c1cccc(Cl)c1 ZINC001472316885 1073417990 /nfs/dbraw/zinc/41/79/90/1073417990.db2.gz LCAJXCPFUYBJKA-PBHICJAKSA-N -1 1 393.270 3.535 20 10 GHCDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1nnc2ccccn21 ZINC001473921601 1074204687 /nfs/dbraw/zinc/20/46/87/1074204687.db2.gz OEFYLJBVMDDBAT-SECBINFHSA-N -1 1 381.661 3.702 20 10 GHCDMM C[C@]1(c2cccc(NCc3cc(Br)cc(F)c3[O-])c2)COC(=O)N1 ZINC001474250521 1074309708 /nfs/dbraw/zinc/30/97/08/1074309708.db2.gz ZRFMVOGXJMFTDK-QGZVFWFLSA-N -1 1 395.228 3.861 20 10 GHCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1C ZINC000822308731 606393820 /nfs/dbraw/zinc/39/38/20/606393820.db2.gz JCZUABMWLZIAKO-ZSOIEALJSA-N -1 1 399.526 3.951 20 10 GHCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c(C)c1 ZINC000822241322 606393858 /nfs/dbraw/zinc/39/38/58/606393858.db2.gz RRPSIBSCLSQUHL-ZSOIEALJSA-N -1 1 399.526 3.951 20 10 GHCDMM CC(C)Oc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1-c1nn[nH]n1 ZINC000824329131 609489660 /nfs/dbraw/zinc/48/96/60/609489660.db2.gz JIDGYDQSFWJLBL-UHFFFAOYSA-N -1 1 377.807 3.764 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000890758020 836683638 /nfs/dbraw/zinc/68/36/38/836683638.db2.gz PWIYBZAISZCSDS-OAHLLOKOSA-N -1 1 387.867 3.606 20 10 GHCDMM CC(C)C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277585060 847134493 /nfs/dbraw/zinc/13/44/93/847134493.db2.gz SUBWLSFWAWTOPT-KBPBESRZSA-N -1 1 385.302 3.548 20 10 GHCDMM CC(C)C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277585061 847135020 /nfs/dbraw/zinc/13/50/20/847135020.db2.gz SUBWLSFWAWTOPT-KGLIPLIRSA-N -1 1 385.302 3.548 20 10 GHCDMM O=C(CCC(=O)c1ccc(F)c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765764544 856948321 /nfs/dbraw/zinc/94/83/21/856948321.db2.gz LXVGHFVOEPDKSP-UHFFFAOYSA-N -1 1 398.203 3.712 20 10 GHCDMM Cc1ccc(OCCNC(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000764756917 859596658 /nfs/dbraw/zinc/59/66/58/859596658.db2.gz JKNNPIZDKFVURM-UHFFFAOYSA-N -1 1 393.281 3.650 20 10 GHCDMM C[C@H](CCc1ccc(O)cc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764763271 859598960 /nfs/dbraw/zinc/59/89/60/859598960.db2.gz UBYPRSSTVSQOGL-GFCCVEGCSA-N -1 1 393.281 3.681 20 10 GHCDMM COc1cccc(C[C@H](C)NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764782482 859609307 /nfs/dbraw/zinc/60/93/07/859609307.db2.gz ZWFWFICWRYAHHK-LBPRGKRZSA-N -1 1 393.281 3.594 20 10 GHCDMM COc1cc(CCNC(=O)NCc2cccc(Br)c2[O-])ccc1C ZINC000764786182 859619292 /nfs/dbraw/zinc/61/92/92/859619292.db2.gz ZZCQFPKFXPZQSN-UHFFFAOYSA-N -1 1 393.281 3.514 20 10 GHCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1[O-] ZINC000857455605 882273331 /nfs/dbraw/zinc/27/33/31/882273331.db2.gz GDAZFWFERAUDOH-CYBMUJFWSA-N -1 1 380.366 3.532 20 10 GHCDMM C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000857875508 882605404 /nfs/dbraw/zinc/60/54/04/882605404.db2.gz QSGIBDHIHHXXFA-QLJPJBMISA-N -1 1 393.256 3.658 20 10 GHCDMM CC1(C)CN(Cc2cc(Br)cc(Br)c2[O-])CCCO1 ZINC000775710232 873040888 /nfs/dbraw/zinc/04/08/88/873040888.db2.gz KIWJUXVPRKXWTJ-UHFFFAOYSA-N -1 1 393.119 3.918 20 10 GHCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000768299905 873218859 /nfs/dbraw/zinc/21/88/59/873218859.db2.gz AEKCEURYAFMGIC-UHFFFAOYSA-N -1 1 376.250 3.971 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1[O-] ZINC000858014692 882723749 /nfs/dbraw/zinc/72/37/49/882723749.db2.gz OJDLRHVVCJZNBH-MRXNPFEDSA-N -1 1 389.839 3.880 20 10 GHCDMM CN1CCN(c2ccc(/C=C(/CC(=O)[O-])c3nc4ccccc4o3)cc2)CC1 ZINC000771517756 875308561 /nfs/dbraw/zinc/30/85/61/875308561.db2.gz JPRXEYBDYWLZMV-VKAVYKQESA-N -1 1 377.444 3.595 20 10 GHCDMM CC(C)(c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1)C1=CCCCC1 ZINC000771723212 875446182 /nfs/dbraw/zinc/44/61/82/875446182.db2.gz ISBWWDOBVBJBGB-UHFFFAOYSA-N -1 1 377.466 3.592 20 10 GHCDMM NC(=O)N1CCCc2ccc(NCc3cccc(Br)c3[O-])cc21 ZINC000785561487 876131563 /nfs/dbraw/zinc/13/15/63/876131563.db2.gz HUPJTJRGWULEKC-UHFFFAOYSA-N -1 1 376.254 3.598 20 10 GHCDMM COc1cc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)ccc1F ZINC000786874485 876996601 /nfs/dbraw/zinc/99/66/01/876996601.db2.gz WQCNHCXCHXMZLE-UHFFFAOYSA-N -1 1 378.469 3.871 20 10 GHCDMM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000853038019 878764630 /nfs/dbraw/zinc/76/46/30/878764630.db2.gz NNTJSYXUDGLWMH-SFHVURJKSA-N -1 1 395.286 3.746 20 10 GHCDMM Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000841979559 884446623 /nfs/dbraw/zinc/44/66/23/884446623.db2.gz YVARLYYLIFKCGF-INIZCTEOSA-N -1 1 390.281 3.614 20 10 GHCDMM Cc1cc2cc(CNC(=O)NCc3cccc(Br)c3[O-])ccc2[nH]1 ZINC000807561860 885561987 /nfs/dbraw/zinc/56/19/87/885561987.db2.gz ZRRRWONATRFZIJ-UHFFFAOYSA-N -1 1 388.265 3.944 20 10 GHCDMM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)c1)CCCC2 ZINC000808115559 886025966 /nfs/dbraw/zinc/02/59/66/886025966.db2.gz JDXCZXHYTWYXDG-UHFFFAOYSA-N -1 1 399.827 3.563 20 10 GHCDMM COc1cc(F)c(F)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000810269694 888333951 /nfs/dbraw/zinc/33/39/51/888333951.db2.gz CHBAEDQQQHPMLL-UHFFFAOYSA-N -1 1 387.180 3.763 20 10 GHCDMM O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)C(F)(F)F ZINC000811514072 889710101 /nfs/dbraw/zinc/71/01/01/889710101.db2.gz BCSTVSATMMWKOZ-SECBINFHSA-N -1 1 385.213 3.590 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000747831466 891205031 /nfs/dbraw/zinc/20/50/31/891205031.db2.gz ZGEYDXGXNVWHGE-ROUUACIJSA-N -1 1 381.472 3.577 20 10 GHCDMM COc1ccc(N2CC[C@H](CNC(=O)c3ccc(C(F)(F)F)c([O-])c3)C2)cc1 ZINC000819587680 896837638 /nfs/dbraw/zinc/83/76/38/896837638.db2.gz GTKDYODVYGZKLO-CYBMUJFWSA-N -1 1 394.393 3.676 20 10 GHCDMM O=[S@@](Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1)C1CCOCC1 ZINC000883065550 897245410 /nfs/dbraw/zinc/24/54/10/897245410.db2.gz OMECOJQXPHJRRV-SANMLTNESA-N -1 1 381.444 3.710 20 10 GHCDMM Cc1nc(COC(C)(C)C)oc1C(=O)NCc1cccc(Br)c1[O-] ZINC000846013756 902592454 /nfs/dbraw/zinc/59/24/54/902592454.db2.gz DPGHLJKNSCFUGR-UHFFFAOYSA-N -1 1 397.269 3.696 20 10 GHCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1F ZINC000773251700 904614953 /nfs/dbraw/zinc/61/49/53/904614953.db2.gz JIWNRKKEJNQUOU-UHFFFAOYSA-N -1 1 381.425 3.551 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC001180043043 909910110 /nfs/dbraw/zinc/91/01/10/909910110.db2.gz OSIQNCUZBRXCHG-ZDUSSCGKSA-N -1 1 399.329 3.904 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)c1[O-] ZINC000247070345 910941650 /nfs/dbraw/zinc/94/16/50/910941650.db2.gz WTJJHXHVVYOYOZ-NVXWUHKLSA-N -1 1 395.908 3.634 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@@H](c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000775071320 914960717 /nfs/dbraw/zinc/96/07/17/914960717.db2.gz PFFBGXPGBGVJBQ-MRXNPFEDSA-N -1 1 378.812 3.536 20 10 GHCDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2Cl)ccc1Cl ZINC001188312813 915879400 /nfs/dbraw/zinc/87/94/00/915879400.db2.gz XIEBXDKFMTWDER-UHFFFAOYSA-N -1 1 396.635 3.851 20 10 GHCDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775291241 916838606 /nfs/dbraw/zinc/83/86/06/916838606.db2.gz GPUKMALPSXOWSV-UHFFFAOYSA-N -1 1 377.462 3.685 20 10 GHCDMM COc1cc([O-])c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c(OC)c1 ZINC001190137409 917122391 /nfs/dbraw/zinc/12/23/91/917122391.db2.gz KXSAVAIKLQMGJZ-UHFFFAOYSA-N -1 1 378.428 3.839 20 10 GHCDMM Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000759160442 930294376 /nfs/dbraw/zinc/29/43/76/930294376.db2.gz OKPWGWMIYPZOPQ-HXUWFJFHSA-N -1 1 391.471 3.708 20 10 GHCDMM Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000759160442 930294380 /nfs/dbraw/zinc/29/43/80/930294380.db2.gz OKPWGWMIYPZOPQ-HXUWFJFHSA-N -1 1 391.471 3.708 20 10 GHCDMM CCC(CC)C(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781898371 931017654 /nfs/dbraw/zinc/01/76/54/931017654.db2.gz YIQKUQRZLPGGDI-UHFFFAOYSA-N -1 1 383.330 3.544 20 10 GHCDMM Cc1ccc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Br)c1 ZINC000782470950 931233949 /nfs/dbraw/zinc/23/39/49/931233949.db2.gz UZSOFQYHXMSDSD-ALCCZGGFSA-N -1 1 391.217 3.608 20 10 GHCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(C(F)(F)F)cc1 ZINC000783315352 931517680 /nfs/dbraw/zinc/51/76/80/931517680.db2.gz JBCREGGMIWOGRJ-FLIBITNWSA-N -1 1 380.318 3.946 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783437519 931545953 /nfs/dbraw/zinc/54/59/53/931545953.db2.gz NAJDHLNLWNLCKK-VXGBXAGGSA-N -1 1 381.211 3.934 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](c1ccccn1)C1CC1 ZINC000925555720 931821713 /nfs/dbraw/zinc/82/17/13/931821713.db2.gz IRTGSRNHCZPFOO-OAHLLOKOSA-N -1 1 376.254 3.500 20 10 GHCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c2cc(F)ccc21 ZINC000797759772 932398570 /nfs/dbraw/zinc/39/85/70/932398570.db2.gz MHJWJOKDAOCVGJ-UHFFFAOYSA-N -1 1 377.213 3.716 20 10 GHCDMM C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001589001065 984942729 /nfs/dbraw/zinc/94/27/29/984942729.db2.gz GFBLHHDLWCQYKO-NTUHNPAUSA-N -1 1 390.823 3.944 20 10 GHCDMM C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001589001065 984942735 /nfs/dbraw/zinc/94/27/35/984942735.db2.gz GFBLHHDLWCQYKO-NTUHNPAUSA-N -1 1 390.823 3.944 20 10 GHCDMM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234764 1032465675 /nfs/dbraw/zinc/46/56/75/1032465675.db2.gz UUDRCQSAFSCETM-HLNGLMCHSA-N -1 1 391.423 3.516 20 10 GHCDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227576610 1032469053 /nfs/dbraw/zinc/46/90/53/1032469053.db2.gz CELMJRDMAWZIOZ-UONOGXRCSA-N -1 1 394.423 3.668 20 10 GHCDMM CC[C@H](Nc1cc(NS(C)(=O)=O)ccc1OC)c1cccc(Cl)c1[O-] ZINC000834890295 1021628451 /nfs/dbraw/zinc/62/84/51/1021628451.db2.gz ZTYSLYQETDOIBG-AWEZNQCLSA-N -1 1 384.885 3.989 20 10 GHCDMM Cc1cncnc1O[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141377532 1024774855 /nfs/dbraw/zinc/77/48/55/1024774855.db2.gz RNRSAQMJPYWJAI-ZDUSSCGKSA-N -1 1 398.688 3.560 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccsc1Br ZINC001139974815 1026771557 /nfs/dbraw/zinc/77/15/57/1026771557.db2.gz NMHFWMUPDMHSMX-UHFFFAOYSA-N -1 1 391.084 3.909 20 10 GHCDMM C[C@H]1[C@@H](CO)CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979091 1028019445 /nfs/dbraw/zinc/01/94/45/1028019445.db2.gz RISVYJQFUJIOGB-VHSXEESVSA-N -1 1 393.119 3.510 20 10 GHCDMM Cc1ccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c(F)c1F ZINC001217056826 1030130150 /nfs/dbraw/zinc/13/01/50/1030130150.db2.gz RXNHXTUKMWWUPA-UHFFFAOYSA-N -1 1 387.386 3.528 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3cc(F)ccc3Cl)no2)cc1CN1CCOCC1 ZINC001217056673 1030130267 /nfs/dbraw/zinc/13/02/67/1030130267.db2.gz PFOLCSOQTYCLNV-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN[C@H](CO)c1ccc(F)cc1F ZINC001461656918 1069662618 /nfs/dbraw/zinc/66/26/18/1069662618.db2.gz CMQRQUWDEDOHIK-CQSZACIVSA-N -1 1 392.627 3.910 20 10 GHCDMM Cc1c(NCc2cc(Br)cc(F)c2[O-])nnn1-c1ccc(F)cc1 ZINC001461811615 1069763365 /nfs/dbraw/zinc/76/33/65/1069763365.db2.gz MAWLJXOHXQHADB-UHFFFAOYSA-N -1 1 395.207 3.934 20 10 GHCDMM CN(C)c1ccc2c(c1)OCCN2Cc1cc(Br)cc(F)c1[O-] ZINC001205270574 1033334152 /nfs/dbraw/zinc/33/41/52/1033334152.db2.gz ZIKLSJYKYKIFFK-UHFFFAOYSA-N -1 1 381.245 3.759 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c(O[C@H](c3cccnc3)C3CC3)cc([O-])c(O)c21 ZINC001229196346 1033334313 /nfs/dbraw/zinc/33/43/13/1033334313.db2.gz BLFUTBAZTAQBPC-QHCPKHFHSA-N -1 1 387.391 3.798 20 10 GHCDMM O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1[O-] ZINC001159033323 1034392345 /nfs/dbraw/zinc/39/23/45/1034392345.db2.gz GBPPPTGYQBAQMT-UHFFFAOYSA-N -1 1 381.259 3.525 20 10 GHCDMM CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231455246 1034599135 /nfs/dbraw/zinc/59/91/35/1034599135.db2.gz ZHBNGYOUSLBMBV-UHFFFAOYSA-N -1 1 392.496 3.702 20 10 GHCDMM CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231455246 1034599144 /nfs/dbraw/zinc/59/91/44/1034599144.db2.gz ZHBNGYOUSLBMBV-UHFFFAOYSA-N -1 1 392.496 3.702 20 10 GHCDMM CN(C(=O)OC(C)(C)C)C1CCC([N@@H+](C)Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566013 1034714121 /nfs/dbraw/zinc/71/41/21/1034714121.db2.gz HKTROEQYZRPTTN-UHFFFAOYSA-N -1 1 392.496 3.700 20 10 GHCDMM CN(C(=O)OC(C)(C)C)C1CCC([N@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231566013 1034714136 /nfs/dbraw/zinc/71/41/36/1034714136.db2.gz HKTROEQYZRPTTN-UHFFFAOYSA-N -1 1 392.496 3.700 20 10 GHCDMM CN(C(=O)OC(C)(C)C)C1CCC([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231566013 1034714152 /nfs/dbraw/zinc/71/41/52/1034714152.db2.gz HKTROEQYZRPTTN-UHFFFAOYSA-N -1 1 392.496 3.700 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231566005 1034715486 /nfs/dbraw/zinc/71/54/86/1034715486.db2.gz GZHYUDJJMBMBMJ-JQFCIGGWSA-N -1 1 375.465 3.565 20 10 GHCDMM C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231568423 1034716616 /nfs/dbraw/zinc/71/66/16/1034716616.db2.gz LPWCFJMHNXJSCL-LLVKDONJSA-N -1 1 376.250 3.800 20 10 GHCDMM C[C@@H]1Cc2ccc(Br)cc2CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231568423 1034716631 /nfs/dbraw/zinc/71/66/31/1034716631.db2.gz LPWCFJMHNXJSCL-LLVKDONJSA-N -1 1 376.250 3.800 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001231911654 1034986595 /nfs/dbraw/zinc/98/65/95/1034986595.db2.gz OKDGPHSYIAQHEE-FBBABVLZSA-N -1 1 388.895 3.637 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCc2ncnc(C3CC3)c2CC1 ZINC001233030941 1038783806 /nfs/dbraw/zinc/78/38/06/1038783806.db2.gz TUHFLJRNCHZLIE-UHFFFAOYSA-N -1 1 392.272 3.562 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN(Cc2ccco2)C2CC2)c1 ZINC001233308985 1039099814 /nfs/dbraw/zinc/09/98/14/1039099814.db2.gz NYMAPPHGMZLRPC-UHFFFAOYSA-N -1 1 380.238 3.699 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C[C@H]1F ZINC001233415679 1039269704 /nfs/dbraw/zinc/26/97/04/1039269704.db2.gz FNTYCGWRHVDLJM-ZIAGYGMSSA-N -1 1 392.393 3.848 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@@H](C(=O)OCc2ccccc2)C1 ZINC001233496340 1039389853 /nfs/dbraw/zinc/38/98/53/1039389853.db2.gz RSQNQXDKFXCNHF-IYBDPMFKSA-N -1 1 384.428 3.981 20 10 GHCDMM CO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CCCCC1 ZINC001233719307 1039564042 /nfs/dbraw/zinc/56/40/42/1039564042.db2.gz YSJCWFHRQITQNU-HNNXBMFYSA-N -1 1 385.302 3.549 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001235296601 1040769601 /nfs/dbraw/zinc/76/96/01/1040769601.db2.gz LODYHXSWLDBSNG-ZDUSSCGKSA-N -1 1 386.183 3.573 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2C[C@H](CO)CC[C@@H]2C(F)(F)F)c1 ZINC001236663616 1041810858 /nfs/dbraw/zinc/81/08/58/1041810858.db2.gz OPCZFGKERSVANN-ZWNOBZJWSA-N -1 1 382.220 3.598 20 10 GHCDMM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236805199 1041906374 /nfs/dbraw/zinc/90/63/74/1041906374.db2.gz WXMKHNLEWXVGMA-ZWKOTPCHSA-N -1 1 396.270 3.814 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001237080874 1042026946 /nfs/dbraw/zinc/02/69/46/1042026946.db2.gz WEGUATUSHQRKPR-ZSZQSSIHSA-N -1 1 395.286 3.905 20 10 GHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237621212 1042288324 /nfs/dbraw/zinc/28/83/24/1042288324.db2.gz XFKDYGBPXREBDL-UHFFFAOYSA-N -1 1 379.741 3.966 20 10 GHCDMM Cc1ncc(CN(C)Cc2cc(Br)cc(C(F)(F)F)c2[O-])cn1 ZINC001237793227 1042373461 /nfs/dbraw/zinc/37/34/61/1042373461.db2.gz WQJKLJKQTFCGHX-UHFFFAOYSA-N -1 1 390.203 3.904 20 10 GHCDMM CCN(Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001462667378 1070457679 /nfs/dbraw/zinc/45/76/79/1070457679.db2.gz NQQCNMDUFOLMTQ-GFCCVEGCSA-N -1 1 391.493 3.912 20 10 GHCDMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1cccc2nonc21 ZINC001260441263 1045496287 /nfs/dbraw/zinc/49/62/87/1045496287.db2.gz YRKUAJDCFQLVJN-UHFFFAOYSA-N -1 1 378.624 3.984 20 10 GHCDMM O=S(=O)([N-]c1cc(Cl)c(F)cc1F)c1ccc(Cl)c2nonc21 ZINC001261073033 1045888087 /nfs/dbraw/zinc/88/80/87/1045888087.db2.gz NTQYFSQXVCFHPN-UHFFFAOYSA-N -1 1 380.159 3.609 20 10 GHCDMM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279663823 1047903643 /nfs/dbraw/zinc/90/36/43/1047903643.db2.gz GLYBUUWSIYAHIJ-BETUJISGSA-N -1 1 384.332 3.923 20 10 GHCDMM O=C1C[C@]2(CC[N@H+](Cc3ccc(Br)cc3O)C2)Oc2ccccc21 ZINC001308816819 1050105414 /nfs/dbraw/zinc/10/54/14/1050105414.db2.gz YFBJZIUVVATKKB-IBGZPJMESA-N -1 1 388.261 3.765 20 10 GHCDMM Cc1cc2c(cc1NC(=O)NCc1cccc(Cl)c1[O-])sc(=O)n2C ZINC001310948148 1051726106 /nfs/dbraw/zinc/72/61/06/1051726106.db2.gz YBCVUSWZGHBMNJ-UHFFFAOYSA-N -1 1 377.853 3.589 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc([N+](=O)[O-])c1Br ZINC001458031042 1063513520 /nfs/dbraw/zinc/51/35/20/1063513520.db2.gz DTZJHGSKRNQLKB-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCc3ccc(N4CCCC4)cc3)c2)o1 ZINC001464076451 1064802407 /nfs/dbraw/zinc/80/24/07/1064802407.db2.gz KYCSIABHQKLGHB-UHFFFAOYSA-N -1 1 390.439 3.995 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765737720 1068121018 /nfs/dbraw/zinc/12/10/18/1068121018.db2.gz XDBVYULNPSXDKZ-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM O=C(/C=C\c1ccccc1)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890757250 836681052 /nfs/dbraw/zinc/68/10/52/836681052.db2.gz AUFIRVBHQATIQS-KTKRTIGZSA-N -1 1 398.890 3.614 20 10 GHCDMM O=C(CC1CCCC1)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093321305 841922328 /nfs/dbraw/zinc/92/23/28/841922328.db2.gz ZXTFMFFZAWJGHB-UHFFFAOYSA-N -1 1 395.887 3.615 20 10 GHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000766047412 862532680 /nfs/dbraw/zinc/53/26/80/862532680.db2.gz HMOWMSQIIQUUHY-UHFFFAOYSA-N -1 1 391.779 3.650 20 10 GHCDMM CCOC(=O)c1csc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)n1 ZINC001170315169 881344894 /nfs/dbraw/zinc/34/48/94/881344894.db2.gz RJHUDAHXUPAJNU-UHFFFAOYSA-N -1 1 398.440 3.693 20 10 GHCDMM CCOCCOc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756260 856135301 /nfs/dbraw/zinc/13/53/01/856135301.db2.gz MCFZUMUJMRFNFZ-UHFFFAOYSA-N -1 1 394.265 3.500 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(-c2ccoc2)n1 ZINC000765764469 856924366 /nfs/dbraw/zinc/92/43/66/856924366.db2.gz KQTORBCRXLGPAH-UHFFFAOYSA-N -1 1 379.235 3.801 20 10 GHCDMM O=C(NCCOC1CCCCCC1)NCc1cccc(Br)c1[O-] ZINC000764781828 859602054 /nfs/dbraw/zinc/60/20/54/859602054.db2.gz CPCFNVPDIRKOOC-UHFFFAOYSA-N -1 1 385.302 3.693 20 10 GHCDMM Cc1ccccc1C1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764771908 859605702 /nfs/dbraw/zinc/60/57/02/859605702.db2.gz ZDSMQCKLKXAGHZ-UHFFFAOYSA-N -1 1 389.293 3.994 20 10 GHCDMM Cc1cccc(O[C@H](C)CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764790223 859610195 /nfs/dbraw/zinc/61/01/95/859610195.db2.gz ILGZQKDWDOMEGZ-CYBMUJFWSA-N -1 1 393.281 3.730 20 10 GHCDMM Cc1cccc(C)c1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764799240 859612771 /nfs/dbraw/zinc/61/27/71/859612771.db2.gz JDDDZRXFWKFXLH-UHFFFAOYSA-N -1 1 377.282 3.813 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000764785139 859617931 /nfs/dbraw/zinc/61/79/31/859617931.db2.gz SMEICUAEELJOFC-HOCLYGCPSA-N -1 1 375.266 3.585 20 10 GHCDMM COC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765232474 859848789 /nfs/dbraw/zinc/84/87/89/859848789.db2.gz CAUDYVWSOFIVDN-UHFFFAOYSA-N -1 1 393.237 3.571 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)CCCO2 ZINC000765274930 859878927 /nfs/dbraw/zinc/87/89/27/859878927.db2.gz BXQLTKFRZQQMTE-UHFFFAOYSA-N -1 1 377.238 3.801 20 10 GHCDMM CC(C)Oc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765361295 859927966 /nfs/dbraw/zinc/92/79/66/859927966.db2.gz DYMUPWCPWNXNTC-UHFFFAOYSA-N -1 1 380.242 3.659 20 10 GHCDMM CC(C)c1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765732608 860514769 /nfs/dbraw/zinc/51/47/69/860514769.db2.gz QUNMIFMHMFSRKL-UHFFFAOYSA-N -1 1 378.266 3.973 20 10 GHCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000763927268 860998488 /nfs/dbraw/zinc/99/84/88/860998488.db2.gz YFAVWCKATFDJDV-UHFFFAOYSA-N -1 1 377.282 3.931 20 10 GHCDMM Cc1ccc(Oc2ccccc2C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001193079445 870868501 /nfs/dbraw/zinc/86/85/01/870868501.db2.gz IWZDAFSXJWUASL-UHFFFAOYSA-N -1 1 377.396 3.811 20 10 GHCDMM O=C(N[C@H]1CCc2cc(Br)ccc2C1)c1ccc(O)c([O-])c1Cl ZINC001193247052 870973506 /nfs/dbraw/zinc/97/35/06/870973506.db2.gz JDHCJUDELYRAEH-LBPRGKRZSA-N -1 1 396.668 3.801 20 10 GHCDMM O=C(Nc1ccc2c(Br)n[nH]c2c1)c1ccc(O)c([O-])c1Cl ZINC001193229104 870990845 /nfs/dbraw/zinc/99/08/45/870990845.db2.gz DRCBBHOFRYFRHS-UHFFFAOYSA-N -1 1 382.601 3.642 20 10 GHCDMM Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1C(=O)N1CCOCC1 ZINC000785539645 876095018 /nfs/dbraw/zinc/09/50/18/876095018.db2.gz RDNZSWDRGSQDKX-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM O=C(c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1Cl)N1CCOCC1 ZINC000787788762 877621059 /nfs/dbraw/zinc/62/10/59/877621059.db2.gz UZBPWNOYOXUIBI-UHFFFAOYSA-N -1 1 399.249 3.923 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1[O-] ZINC000805801611 884117040 /nfs/dbraw/zinc/11/70/40/884117040.db2.gz MCAPYRMGXGYDLC-ZBEGNZNMSA-N -1 1 382.888 3.736 20 10 GHCDMM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1cccc(Cl)c1[O-] ZINC000809683216 887703046 /nfs/dbraw/zinc/70/30/46/887703046.db2.gz VCJPLFHKOJCUAQ-UHFFFAOYSA-N -1 1 382.913 3.995 20 10 GHCDMM Cc1ccc(C[C@H]([NH2+]Cc2c([O-])cccc2Br)C(=O)[O-])cc1C ZINC000864516703 887820387 /nfs/dbraw/zinc/82/03/87/887820387.db2.gz PFNBWTIVADXWSE-INIZCTEOSA-N -1 1 378.266 3.557 20 10 GHCDMM C[C@H]1CN(Cc2cccc(Br)c2[O-])c2ccccc2N(C)C1=O ZINC000809786344 887837940 /nfs/dbraw/zinc/83/79/40/887837940.db2.gz YSJKDEXHBHJTRK-LBPRGKRZSA-N -1 1 375.266 3.774 20 10 GHCDMM CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000748051410 894605073 /nfs/dbraw/zinc/60/50/73/894605073.db2.gz UYCZMLIUHFIMHV-UHFFFAOYSA-N -1 1 392.858 3.526 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(OC(F)F)c(F)c1 ZINC000816496444 894862954 /nfs/dbraw/zinc/86/29/54/894862954.db2.gz KLZSLACIUYIXTG-UHFFFAOYSA-N -1 1 390.155 3.825 20 10 GHCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C(F)(F)F)c([O-])c3)C2)cc1 ZINC000819587681 896837948 /nfs/dbraw/zinc/83/79/48/896837948.db2.gz GTKDYODVYGZKLO-ZDUSSCGKSA-N -1 1 394.393 3.676 20 10 GHCDMM CO[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C[C@@H]1C ZINC000824815708 899823339 /nfs/dbraw/zinc/82/33/39/899823339.db2.gz XDAJBUWHJYRDNZ-ZANVPECISA-N -1 1 393.119 3.774 20 10 GHCDMM COc1cc(OC)cc([C@@H](N[C@@H](C)c2c([O-])cccc2F)c2nccn2C)c1 ZINC000886498808 901080826 /nfs/dbraw/zinc/08/08/26/901080826.db2.gz QRCBJFFJHOMVOU-RNODOKPDSA-N -1 1 385.439 3.722 20 10 GHCDMM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(F)cc2[O-])c2nccn2C)c1 ZINC000184960314 907687979 /nfs/dbraw/zinc/68/79/79/907687979.db2.gz JJWDXNLZGPIECM-ZUOKHONESA-N -1 1 385.439 3.722 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cscc1Br ZINC000803213451 922789243 /nfs/dbraw/zinc/78/92/43/922789243.db2.gz DWVIKYKZPBHXTJ-UHFFFAOYSA-N -1 1 391.084 3.909 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000781910327 931023769 /nfs/dbraw/zinc/02/37/69/931023769.db2.gz NVSGKUFAQSHDHH-LLVKDONJSA-N -1 1 381.236 3.532 20 10 GHCDMM O=C(COC(=O)c1ccc(Cl)c(Br)c1)c1ccc([O-])c(O)c1 ZINC000784351465 931866017 /nfs/dbraw/zinc/86/60/17/931866017.db2.gz NZXGJEKILZDYAX-UHFFFAOYSA-N -1 1 385.597 3.553 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1O ZINC000797819921 932416832 /nfs/dbraw/zinc/41/68/32/932416832.db2.gz WRUMOZYRDSCQCT-UHFFFAOYSA-N -1 1 379.381 3.814 20 10 GHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000799123390 932882200 /nfs/dbraw/zinc/88/22/00/932882200.db2.gz SRBRHEALAVESKI-UHFFFAOYSA-N -1 1 376.659 3.917 20 10 GHCDMM Cc1ccn(-c2cccc(C(=O)NCc3cccc(Br)c3[O-])c2)n1 ZINC001116778738 933750734 /nfs/dbraw/zinc/75/07/34/933750734.db2.gz VTLRGNXVWYBTTE-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2F)[C@@H](C(F)(F)F)C1 ZINC001137841521 935818648 /nfs/dbraw/zinc/81/86/48/935818648.db2.gz IHWYHLLJZKPUMV-CQSZACIVSA-N -1 1 378.366 3.515 20 10 GHCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001595191703 952285201 /nfs/dbraw/zinc/28/52/01/952285201.db2.gz ZPTZLZMBHCGCBR-LSDHHAIUSA-N -1 1 394.240 3.594 20 10 GHCDMM C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001589001068 984942338 /nfs/dbraw/zinc/94/23/38/984942338.db2.gz GFBLHHDLWCQYKO-QPEQYQDCSA-N -1 1 390.823 3.944 20 10 GHCDMM C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001589001068 984942343 /nfs/dbraw/zinc/94/23/43/984942343.db2.gz GFBLHHDLWCQYKO-QPEQYQDCSA-N -1 1 390.823 3.944 20 10 GHCDMM CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314248 991295157 /nfs/dbraw/zinc/29/51/57/991295157.db2.gz JXEUECVLAQJLCK-VZSQWMKGSA-N -1 1 378.394 3.941 20 10 GHCDMM CO[C@@]1(C(F)(F)F)CCCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001599083344 997047538 /nfs/dbraw/zinc/04/75/38/997047538.db2.gz IAPQHCJCGPODPP-KRWDZBQOSA-N -1 1 388.361 3.559 20 10 GHCDMM O=C(NCc1cc(Cl)c2c(c1)OCCCO2)NCc1cccc(Cl)c1[O-] ZINC001221029815 1032242993 /nfs/dbraw/zinc/24/29/93/1032242993.db2.gz OYSPBZIXWUGYAE-UHFFFAOYSA-N -1 1 397.258 3.860 20 10 GHCDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579952 1032470171 /nfs/dbraw/zinc/47/01/71/1032470171.db2.gz CCRUGBOCIILFRE-ZIAGYGMSSA-N -1 1 394.423 3.668 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC000901916281 1021463419 /nfs/dbraw/zinc/46/34/19/1021463419.db2.gz ICBPVZKVRDMZTM-UHFFFAOYSA-N -1 1 392.502 3.535 20 10 GHCDMM CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140468516 1021765134 /nfs/dbraw/zinc/76/51/34/1021765134.db2.gz NNVQZCRUQNIGKS-LJQANCHMSA-N -1 1 375.852 3.717 20 10 GHCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000756648844 1023753938 /nfs/dbraw/zinc/75/39/38/1023753938.db2.gz LKXLHTYMUVMJNA-UONOGXRCSA-N -1 1 381.432 3.564 20 10 GHCDMM COc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc(Cl)c1[O-] ZINC000840556030 1027614477 /nfs/dbraw/zinc/61/44/77/1027614477.db2.gz KIECUCAYWLVQDI-CYBMUJFWSA-N -1 1 376.884 3.790 20 10 GHCDMM Cc1cc(C)n(-c2ccc(CCNC(=O)NCc3cccc(Cl)c3[O-])cc2)n1 ZINC001222159268 1029982574 /nfs/dbraw/zinc/98/25/74/1029982574.db2.gz CYPQFRWRATWDJA-UHFFFAOYSA-N -1 1 398.894 3.890 20 10 GHCDMM Cc1ccc(Cl)cc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217054403 1030125418 /nfs/dbraw/zinc/12/54/18/1030125418.db2.gz DWGDLNVWYCPZAQ-UHFFFAOYSA-N -1 1 385.851 3.903 20 10 GHCDMM C[C@@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ncccc1F ZINC001229197320 1033335389 /nfs/dbraw/zinc/33/53/89/1033335389.db2.gz NNMKPAMMGUSNJM-SNVBAGLBSA-N -1 1 379.343 3.547 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001205734331 1033550501 /nfs/dbraw/zinc/55/05/01/1033550501.db2.gz AGAUVTLOXMLASP-MRXNPFEDSA-N -1 1 379.407 3.675 20 10 GHCDMM Cc1c(O)cc2c(c1OC1CCN(C(C)C)CC1)C(=O)c1ccccc1C2=O ZINC001229829054 1033739617 /nfs/dbraw/zinc/73/96/17/1033739617.db2.gz LTABAHLXWSMWIM-UHFFFAOYSA-N -1 1 379.456 3.728 20 10 GHCDMM Cc1ccc(-c2nc3ccccc3c(NCC(=O)c3ccc([O-])c(O)c3)n2)cc1 ZINC001159279034 1034518986 /nfs/dbraw/zinc/51/89/86/1034518986.db2.gz JBCQZFXOWRMSSE-UHFFFAOYSA-N -1 1 385.423 3.733 20 10 GHCDMM C[C@H]1CCCCN1c1nc2ccccc2nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279223 1034519061 /nfs/dbraw/zinc/51/90/61/1034519061.db2.gz MSZROABKGMPWQF-AWEZNQCLSA-N -1 1 392.459 3.715 20 10 GHCDMM Cc1nc2sc3c(c2c(NCC(=O)c2ccc([O-])c(O)c2)n1)CCCCC3 ZINC001159280522 1034520700 /nfs/dbraw/zinc/52/07/00/1034520700.db2.gz VWYYFVHZNVXHSX-UHFFFAOYSA-N -1 1 383.473 3.975 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231566004 1034714772 /nfs/dbraw/zinc/71/47/72/1034714772.db2.gz GZHYUDJJMBMBMJ-COXVUDFISA-N -1 1 375.465 3.565 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001248662009 1036036792 /nfs/dbraw/zinc/03/67/92/1036036792.db2.gz GNPRDGYPWALWPK-JTQLQIEISA-N -1 1 394.225 3.623 20 10 GHCDMM [O-]c1cc(O)c(CN2CCc3nc(Br)sc3C2)cc1Cl ZINC001232266880 1037985959 /nfs/dbraw/zinc/98/59/59/1037985959.db2.gz FILQVXSFXSQFLH-UHFFFAOYSA-N -1 1 375.675 3.529 20 10 GHCDMM O=C1c2cccc(O)c2C(=O)c2c([O-])cc(-c3nnc(-c4ccccc4)o3)cc21 ZINC001253054196 1039382876 /nfs/dbraw/zinc/38/28/76/1039382876.db2.gz NSZHIVDIYWNESH-UHFFFAOYSA-N -1 1 384.347 3.590 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C ZINC001233498900 1039393873 /nfs/dbraw/zinc/39/38/73/1039393873.db2.gz WYHXGZHRGQOGGL-VFVRVIDISA-N -1 1 391.464 3.857 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001234473796 1040056790 /nfs/dbraw/zinc/05/67/90/1040056790.db2.gz KFBBTCZYWUQMAW-PXAZEXFGSA-N -1 1 379.453 3.715 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001234474381 1040058965 /nfs/dbraw/zinc/05/89/65/1040058965.db2.gz RRQSRYHSNKVDMO-WIYYLYMNSA-N -1 1 391.464 3.859 20 10 GHCDMM Cc1ccc2c(c1)S[C@@H](C(=O)NCc1cccc(Br)c1[O-])C2 ZINC001255877277 1041371675 /nfs/dbraw/zinc/37/16/75/1041371675.db2.gz PZLVMXFHNGHNTF-OAHLLOKOSA-N -1 1 378.291 3.796 20 10 GHCDMM CCOC(=O)c1coc2c1CN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236669700 1041816953 /nfs/dbraw/zinc/81/69/53/1041816953.db2.gz QTVVEDHCJSQMDH-UHFFFAOYSA-N -1 1 380.238 3.749 20 10 GHCDMM CC(C)N(C)Cc1nnc2n1CCCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236795334 1041899676 /nfs/dbraw/zinc/89/96/76/1041899676.db2.gz DJZVHAWTSQQRMY-UHFFFAOYSA-N -1 1 398.338 3.537 20 10 GHCDMM CS(=O)(=O)c1cccc(C2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)c1 ZINC001237128506 1042055009 /nfs/dbraw/zinc/05/50/09/1042055009.db2.gz QIVXOAZGKJFRQJ-UHFFFAOYSA-N -1 1 397.899 3.968 20 10 GHCDMM O=C1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3[O-])C2)CN1c1ccsc1 ZINC001237798812 1042375674 /nfs/dbraw/zinc/37/56/74/1042375674.db2.gz BMCMTGMDIRPXPF-GOSISDBHSA-N -1 1 380.872 3.875 20 10 GHCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237799153 1042375811 /nfs/dbraw/zinc/37/58/11/1042375811.db2.gz OJFNFDDYUFCKOS-MRVPVSSYSA-N -1 1 379.741 3.966 20 10 GHCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237799800 1042376833 /nfs/dbraw/zinc/37/68/33/1042376833.db2.gz UONTZBWNHSEFFC-UHFFFAOYSA-N -1 1 379.741 3.966 20 10 GHCDMM COc1ccc(C(=O)c2ccccc2[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC001259738633 1045280674 /nfs/dbraw/zinc/28/06/74/1045280674.db2.gz LGSKDZTVZKZYBO-UHFFFAOYSA-N -1 1 395.480 3.911 20 10 GHCDMM Cc1cc(Br)ccc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001260462307 1045503176 /nfs/dbraw/zinc/50/31/76/1045503176.db2.gz HDEUPMRJWZUERI-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM Nc1c(Cl)ccc(C(=O)NCc2cccc(Br)c2[O-])c1Cl ZINC001297441384 1045524044 /nfs/dbraw/zinc/52/40/44/1045524044.db2.gz UYDLPTZUHGXMGD-UHFFFAOYSA-N -1 1 390.064 3.974 20 10 GHCDMM CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1[O-])[C@@H](C)NC(=O)OC(C)(C)C ZINC001305084533 1047887931 /nfs/dbraw/zinc/88/79/31/1047887931.db2.gz KTFRQHPKFJOFLQ-IUODEOHRSA-N -1 1 384.904 3.847 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1csc(-c2ccccc2)n1 ZINC001309940312 1051060136 /nfs/dbraw/zinc/06/01/36/1051060136.db2.gz IRAYZVFPNBRWGK-UHFFFAOYSA-N -1 1 380.878 3.648 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC001311774565 1052389255 /nfs/dbraw/zinc/38/92/55/1052389255.db2.gz IXEWFAWXIRSZID-IRXDYDNUSA-N -1 1 378.831 3.904 20 10 GHCDMM O=C1N[C@H](c2cccc(Br)c2[O-])Nc2ccc(Br)cc21 ZINC001321784048 1056396431 /nfs/dbraw/zinc/39/64/31/1056396431.db2.gz TWKVZBIAFOWPAD-CYBMUJFWSA-N -1 1 398.054 3.771 20 10 GHCDMM COc1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1Cl ZINC001448959231 1060305080 /nfs/dbraw/zinc/30/50/80/1060305080.db2.gz KBOLKRVVLZMJGU-UHFFFAOYSA-N -1 1 384.657 3.676 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1COc2ccc(Br)cc21 ZINC001472316736 1073416892 /nfs/dbraw/zinc/41/68/92/1073416892.db2.gz FPJDRIWHPSZMHZ-LBPRGKRZSA-N -1 1 382.641 3.601 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3c(F)cccc3F)CC2)c1[O-] ZINC001473582578 1074029999 /nfs/dbraw/zinc/02/99/99/1074029999.db2.gz PSYKXZRYNHKEDX-UHFFFAOYSA-N -1 1 380.822 3.849 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccccc1COC1CCOCC1 ZINC000890760173 836698223 /nfs/dbraw/zinc/69/82/23/836698223.db2.gz KVCMEAGSURWADL-UHFFFAOYSA-N -1 1 375.852 3.671 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000890759452 836700387 /nfs/dbraw/zinc/70/03/87/836700387.db2.gz CAVDZICHBIJLQN-IBGZPJMESA-N -1 1 375.852 3.599 20 10 GHCDMM Cc1cc(Cl)ccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765756247 856134724 /nfs/dbraw/zinc/13/47/24/856134724.db2.gz LRCOGUVUCRYBDJ-UHFFFAOYSA-N -1 1 384.657 3.812 20 10 GHCDMM CC(C)(C)n1nc(C(=O)NCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000765766536 857140872 /nfs/dbraw/zinc/14/08/72/857140872.db2.gz YNFNEEJLDBXSEN-UHFFFAOYSA-N -1 1 392.297 3.914 20 10 GHCDMM O=C(CCOc1ccc(Cl)cc1)NCc1cccc(Br)c1[O-] ZINC000765766903 857370890 /nfs/dbraw/zinc/37/08/90/857370890.db2.gz DPYNLULINNWYLH-UHFFFAOYSA-N -1 1 384.657 3.893 20 10 GHCDMM O=C(CNc1nc2cc(Br)ccc2s1)c1ccc([O-])c(O)c1 ZINC001170314951 881345358 /nfs/dbraw/zinc/34/53/58/881345358.db2.gz MONQLDHAVWTFCF-UHFFFAOYSA-N -1 1 379.235 3.765 20 10 GHCDMM C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000764766027 859594517 /nfs/dbraw/zinc/59/45/17/859594517.db2.gz XOEOETUQVVMEOF-GXFFZTMASA-N -1 1 379.254 3.871 20 10 GHCDMM CC(C)O[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764804397 859615247 /nfs/dbraw/zinc/61/52/47/859615247.db2.gz GCDDTPCPVTVJAO-ZIAGYGMSSA-N -1 1 385.302 3.546 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000764786039 859619066 /nfs/dbraw/zinc/61/90/66/859619066.db2.gz XZJYCTDSBYVUTC-IINYFYTJSA-N -1 1 397.219 3.788 20 10 GHCDMM COc1cc(F)c(NC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765314964 859901584 /nfs/dbraw/zinc/90/15/84/859901584.db2.gz CXJNTNWZHIBFOS-UHFFFAOYSA-N -1 1 387.180 3.763 20 10 GHCDMM COc1ccc(NC(=O)NCc2cccc(Br)c2[O-])c(Cl)n1 ZINC000765315508 859902021 /nfs/dbraw/zinc/90/20/21/859902021.db2.gz KGGRBDSVTXTWDR-UHFFFAOYSA-N -1 1 386.633 3.533 20 10 GHCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])nn1-c1ccccc1 ZINC000765728576 860491689 /nfs/dbraw/zinc/49/16/89/860491689.db2.gz WHJXLMXKXNHPHZ-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM COc1ccccc1SCC(=O)NCc1cccc(Br)c1[O-] ZINC000765746530 860556929 /nfs/dbraw/zinc/55/69/29/860556929.db2.gz HMNXNKIZRGWRGC-UHFFFAOYSA-N -1 1 382.279 3.572 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000765747547 860562798 /nfs/dbraw/zinc/56/27/98/860562798.db2.gz PISPCOIVRZNZMQ-UHFFFAOYSA-N -1 1 390.155 3.983 20 10 GHCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])nn1[C@H](C)C1CC1 ZINC000765751117 860564603 /nfs/dbraw/zinc/56/46/03/860564603.db2.gz OIMRCPUAQICYLV-LLVKDONJSA-N -1 1 378.270 3.561 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)ncc1Cl ZINC000765751273 860564699 /nfs/dbraw/zinc/56/46/99/860564699.db2.gz DFTIYQROYQUCKF-UHFFFAOYSA-N -1 1 376.037 3.787 20 10 GHCDMM O=C(Nc1ccc(OC[C@H]2CCCO2)c(F)c1)c1ccc(O)c([O-])c1Cl ZINC001193232993 870962503 /nfs/dbraw/zinc/96/25/03/870962503.db2.gz TWNSGMOXOKLYCE-LLVKDONJSA-N -1 1 381.787 3.700 20 10 GHCDMM Cn1c(CNC(=O)c2ccc(O)c([O-])c2Cl)nc2cc(C(F)(F)F)ccc21 ZINC001193236671 870964163 /nfs/dbraw/zinc/96/41/63/870964163.db2.gz MELAMBRYEISSNY-UHFFFAOYSA-N -1 1 399.756 3.587 20 10 GHCDMM C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193246999 870973595 /nfs/dbraw/zinc/97/35/95/870973595.db2.gz GYECEUBYLPJAAW-SECBINFHSA-N -1 1 384.657 3.875 20 10 GHCDMM O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000775716115 873103023 /nfs/dbraw/zinc/10/30/23/873103023.db2.gz PXSTYLKSOXPRTK-SFHVURJKSA-N -1 1 386.879 3.974 20 10 GHCDMM O=C(CNS(=O)(=O)c1ccc(N=Nc2ccccc2)cc1)c1ccc([O-])cc1 ZINC001197197130 873645624 /nfs/dbraw/zinc/64/56/24/873645624.db2.gz XBBQOYLLPCCYJM-GHVJWSGMSA-N -1 1 395.440 3.969 20 10 GHCDMM Cc1cc(C(=O)Nc2nc(Br)ccc2[O-])c(C)n1-c1ccccn1 ZINC000771573736 875323067 /nfs/dbraw/zinc/32/30/67/875323067.db2.gz CPPDPUJXHYWVNX-UHFFFAOYSA-N -1 1 387.237 3.605 20 10 GHCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(OCc2ccccn2)c1 ZINC000790070053 879413814 /nfs/dbraw/zinc/41/38/14/879413814.db2.gz ZKFOSPDBAIFGDA-ZDUSSCGKSA-N -1 1 382.391 3.702 20 10 GHCDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000790416394 879698807 /nfs/dbraw/zinc/69/88/07/879698807.db2.gz VZOIUGMWTIJPBX-UHFFFAOYSA-N -1 1 390.244 3.760 20 10 GHCDMM CCCCNS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000809682119 887701472 /nfs/dbraw/zinc/70/14/72/887701472.db2.gz DHTXREVUFCAUEW-UHFFFAOYSA-N -1 1 386.876 3.875 20 10 GHCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000794758421 888018947 /nfs/dbraw/zinc/01/89/47/888018947.db2.gz DPXWLLXRSDIHDL-UHFFFAOYSA-N -1 1 395.742 3.563 20 10 GHCDMM C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)c4ccc([O-])c(O)c4)cc3c2C1 ZINC000916590706 889152081 /nfs/dbraw/zinc/15/20/81/889152081.db2.gz HGJQVHIJRBPXKT-GFCCVEGCSA-N -1 1 379.412 3.744 20 10 GHCDMM O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC000916590738 889152353 /nfs/dbraw/zinc/15/23/53/889152353.db2.gz KCFPRJOFVGGEAY-UHFFFAOYSA-N -1 1 396.370 3.856 20 10 GHCDMM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C(=O)[O-] ZINC001184692472 913359376 /nfs/dbraw/zinc/35/93/76/913359376.db2.gz WUFMLQUXESDADD-UHFFFAOYSA-N -1 1 395.436 3.725 20 10 GHCDMM COC(C)(C)c1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000811459299 889618252 /nfs/dbraw/zinc/61/82/52/889618252.db2.gz CESXSJPGUBOONM-UHFFFAOYSA-N -1 1 399.310 3.731 20 10 GHCDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1 ZINC000811705136 889880165 /nfs/dbraw/zinc/88/01/65/889880165.db2.gz JPCBKNFEEGEOHJ-UHFFFAOYSA-N -1 1 394.449 3.643 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000774833253 913689263 /nfs/dbraw/zinc/68/92/63/913689263.db2.gz NEKABRXMOWMNQT-MRXNPFEDSA-N -1 1 378.812 3.536 20 10 GHCDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1nnc2n1CCCCC2 ZINC000882886108 897077746 /nfs/dbraw/zinc/07/77/46/897077746.db2.gz DQZFEYOHOIMVBA-SNVBAGLBSA-N -1 1 399.720 3.977 20 10 GHCDMM Cc1cc(NCc2cc(Br)cc(F)c2[O-])nn1CC(F)(F)F ZINC000883146899 897320325 /nfs/dbraw/zinc/32/03/25/897320325.db2.gz CTDRXOZPSNSBDA-UHFFFAOYSA-N -1 1 382.155 3.973 20 10 GHCDMM COC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1cc(C)cc(C)c1 ZINC001170949568 897375249 /nfs/dbraw/zinc/37/52/49/897375249.db2.gz RRNAXHJPBLBKRB-GOSISDBHSA-N -1 1 375.852 3.869 20 10 GHCDMM COc1c([O-])c(CN2CCCCC[C@@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000775055954 914850423 /nfs/dbraw/zinc/85/04/23/914850423.db2.gz IAUNREAEQBOPBG-OAHLLOKOSA-N -1 1 390.440 3.933 20 10 GHCDMM COc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc(OC)c1 ZINC001175110787 907362974 /nfs/dbraw/zinc/36/29/74/907362974.db2.gz KQQXKSNELWUPML-UHFFFAOYSA-N -1 1 375.380 3.928 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN[C@H](C)C(=O)OCc2ccccc2)c1 ZINC001182624705 911906234 /nfs/dbraw/zinc/90/62/34/911906234.db2.gz CHAVBCSMAMGQQA-CYBMUJFWSA-N -1 1 378.266 3.685 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC001187530898 915332140 /nfs/dbraw/zinc/33/21/40/915332140.db2.gz UKFKOTLCXWMCBI-UHFFFAOYSA-N -1 1 388.729 3.774 20 10 GHCDMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2Cl)cc1 ZINC001192139079 918471988 /nfs/dbraw/zinc/47/19/88/918471988.db2.gz BUZADOSJABEFCC-UHFFFAOYSA-N -1 1 390.244 3.517 20 10 GHCDMM O=C(CCCc1ccccc1Br)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784214543 931818704 /nfs/dbraw/zinc/81/87/04/931818704.db2.gz KUAIXLSSHXBDSG-UHFFFAOYSA-N -1 1 393.233 3.609 20 10 GHCDMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1Br)c1ccc(N(C)C)cc1 ZINC001593194242 994132173 /nfs/dbraw/zinc/13/21/73/994132173.db2.gz CEBUBNNDILJGDX-SJCJKPOMSA-N -1 1 377.282 3.992 20 10 GHCDMM COCc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(C(=O)[O-])c1 ZINC001599286296 996984026 /nfs/dbraw/zinc/98/40/26/996984026.db2.gz QVKXKEYMKUTFCB-UHFFFAOYSA-N -1 1 399.230 3.865 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000931470426 1017986689 /nfs/dbraw/zinc/98/66/89/1017986689.db2.gz GAHZZJCDIKIYNW-UHFFFAOYSA-N -1 1 381.810 3.948 20 10 GHCDMM CC(C)Oc1cncc(COc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)c1 ZINC001228108079 1032785877 /nfs/dbraw/zinc/78/58/77/1032785877.db2.gz CCRGPIKFIVTRGQ-UHFFFAOYSA-N -1 1 395.411 3.796 20 10 GHCDMM CCC[C@@H](CC(=O)OCC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228114010 1032789448 /nfs/dbraw/zinc/78/94/48/1032789448.db2.gz HDRHVCBBDKXFPJ-HNNXBMFYSA-N -1 1 388.416 3.535 20 10 GHCDMM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140585358 1022008813 /nfs/dbraw/zinc/00/88/13/1022008813.db2.gz GPWCUWSCJAPEJW-LLVKDONJSA-N -1 1 389.324 3.523 20 10 GHCDMM C[C@@H](NCc1cn(-c2ccccc2)nn1)c1cc(Br)c(F)cc1[O-] ZINC000756742519 1023795161 /nfs/dbraw/zinc/79/51/61/1023795161.db2.gz NKPYXHXBSOOUQU-LLVKDONJSA-N -1 1 391.244 3.725 20 10 GHCDMM C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)c(F)cc1[O-] ZINC000756795437 1023817710 /nfs/dbraw/zinc/81/77/10/1023817710.db2.gz FDODRRZJAVWZQY-QMMMGPOBSA-N -1 1 381.201 3.798 20 10 GHCDMM C[C@H](Nc1ccc(N2CCOCC2)cn1)c1cc(Br)c(F)cc1[O-] ZINC000756800664 1023819219 /nfs/dbraw/zinc/81/92/19/1023819219.db2.gz CDYZFBGEFQFSRD-NSHDSACASA-N -1 1 396.260 3.699 20 10 GHCDMM C[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756813088 1023824630 /nfs/dbraw/zinc/82/46/30/1023824630.db2.gz CSLDSYTXWOPETD-SNVBAGLBSA-N -1 1 397.244 3.721 20 10 GHCDMM COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1C ZINC001141373053 1024761121 /nfs/dbraw/zinc/76/11/21/1024761121.db2.gz KVBREJAJYJFRMY-SKDRFNHKSA-N -1 1 376.678 3.582 20 10 GHCDMM Cn1ccnc1C(=O)c1ccc(NCc2cccc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC001164341113 1026490533 /nfs/dbraw/zinc/49/05/33/1026490533.db2.gz AQCPISUHRRSODR-UHFFFAOYSA-N -1 1 386.795 3.530 20 10 GHCDMM C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C[C@]1(C)O ZINC001203565296 1027436208 /nfs/dbraw/zinc/43/62/08/1027436208.db2.gz ZBUTYBLBIYHYQN-OTYXRUKQSA-N -1 1 393.119 3.510 20 10 GHCDMM CC(C)C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC001461398512 1069533622 /nfs/dbraw/zinc/53/36/22/1069533622.db2.gz CAEUODFACAYPIH-LBPRGKRZSA-N -1 1 397.266 3.744 20 10 GHCDMM CC(C)C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC001461398511 1069533724 /nfs/dbraw/zinc/53/37/24/1069533724.db2.gz CAEUODFACAYPIH-GFCCVEGCSA-N -1 1 397.266 3.744 20 10 GHCDMM COc1ccccc1[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841799125 1028944594 /nfs/dbraw/zinc/94/45/94/1028944594.db2.gz PWHMPPRFQSSTKH-FQEVSTJZSA-N -1 1 399.447 3.509 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3cc(F)cc(Cl)c3)no2)cc1CN1CCOCC1 ZINC001217055673 1030127135 /nfs/dbraw/zinc/12/71/35/1030127135.db2.gz XJCBMOFXDOVQNG-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM Cc1ccc([C@@H](C)Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)cn1 ZINC001229198249 1033335076 /nfs/dbraw/zinc/33/50/76/1033335076.db2.gz YWTIYHIVIWSYKS-GFCCVEGCSA-N -1 1 375.380 3.717 20 10 GHCDMM CCCC[C@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785254 1033711281 /nfs/dbraw/zinc/71/12/81/1033711281.db2.gz GFTWCHNXGFVPKV-LBPRGKRZSA-N -1 1 376.405 3.793 20 10 GHCDMM CCC[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786401 1033712711 /nfs/dbraw/zinc/71/27/11/1033712711.db2.gz NIPFUMDZZQKZNO-INIZCTEOSA-N -1 1 376.405 3.649 20 10 GHCDMM Cc1ccc([C@@H](C)Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001229790939 1033718421 /nfs/dbraw/zinc/71/84/21/1033718421.db2.gz LMRNSKLOERQCFQ-GFCCVEGCSA-N -1 1 396.395 3.894 20 10 GHCDMM Cc1c([C@H](C)Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)cnn1C ZINC001229829860 1033740163 /nfs/dbraw/zinc/74/01/63/1033740163.db2.gz ZDHGAEUYCNFGAG-ZDUSSCGKSA-N -1 1 376.412 3.658 20 10 GHCDMM C[C@@H]1CCCCN1c1nc2ccccc2nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279224 1034519258 /nfs/dbraw/zinc/51/92/58/1034519258.db2.gz MSZROABKGMPWQF-CQSZACIVSA-N -1 1 392.459 3.715 20 10 GHCDMM COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c(O)c1I ZINC001248489987 1035910944 /nfs/dbraw/zinc/91/09/44/1035910944.db2.gz SSTYTAVLLMHRBM-MNOVXSKESA-N -1 1 375.250 3.626 20 10 GHCDMM [O-]c1c(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)ccc(F)c1F ZINC001233079950 1038847467 /nfs/dbraw/zinc/84/74/67/1038847467.db2.gz OHUMTSZCQHUVAE-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM [O-]c1ccc(F)c(F)c1CN1CCc2c(COCc3ccccn3)cncc2C1 ZINC001233333460 1039134484 /nfs/dbraw/zinc/13/44/84/1039134484.db2.gz WMKJBZCQZAZYLC-UHFFFAOYSA-N -1 1 397.425 3.736 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001233498856 1039394042 /nfs/dbraw/zinc/39/40/42/1039394042.db2.gz WMJBISNLTUDADE-WAIKUNEKSA-N -1 1 399.487 3.749 20 10 GHCDMM Cc1cccc(O[C@@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC001235075753 1040563096 /nfs/dbraw/zinc/56/30/96/1040563096.db2.gz OYALMXSCRBEXMH-CQSZACIVSA-N -1 1 381.245 3.651 20 10 GHCDMM CCc1nnc(C2CCN(Cc3cc(F)cc(Br)c3[O-])CC2)o1 ZINC001235304931 1040777664 /nfs/dbraw/zinc/77/76/64/1040777664.db2.gz GTANTLLEBWCRJG-UHFFFAOYSA-N -1 1 384.249 3.619 20 10 GHCDMM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277993109 1041801125 /nfs/dbraw/zinc/80/11/25/1041801125.db2.gz SMIWBQKSUGJRDE-HXPMCKFVSA-N -1 1 399.318 3.634 20 10 GHCDMM Cc1nc([C@@H]2COCCN2Cc2cc(C)cc(Br)c2[O-])cs1 ZINC001236667527 1041814136 /nfs/dbraw/zinc/81/41/36/1041814136.db2.gz YQVRGKFFEFSMFF-HNNXBMFYSA-N -1 1 383.311 3.802 20 10 GHCDMM CC(C)N(C)C(=O)c1noc2c1CN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237081634 1042027353 /nfs/dbraw/zinc/02/73/53/1042027353.db2.gz ZVTDTIJADRONLO-UHFFFAOYSA-N -1 1 398.290 3.726 20 10 GHCDMM O=S(=O)([N-]Cc1cccc(O)c1O)c1c(Cl)cc(Cl)cc1Cl ZINC001260559419 1045548592 /nfs/dbraw/zinc/54/85/92/1045548592.db2.gz GMCJZMVICSKBGA-UHFFFAOYSA-N -1 1 382.652 3.537 20 10 GHCDMM O=C(Nc1cccnc1)N1CCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665344 1047904977 /nfs/dbraw/zinc/90/49/77/1047904977.db2.gz MXQFNPIHHJMSQE-UHFFFAOYSA-N -1 1 393.274 3.586 20 10 GHCDMM COc1ccc2c(c1)CN(Cc1cc(C)cc(Br)c1[O-])CCO2 ZINC001308770067 1050088522 /nfs/dbraw/zinc/08/85/22/1050088522.db2.gz MQCMGLUUOXFFEY-UHFFFAOYSA-N -1 1 378.266 3.866 20 10 GHCDMM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC001472574275 1056540038 /nfs/dbraw/zinc/54/00/38/1056540038.db2.gz PSDCRHIBKZLNPL-UMSPYCQHSA-N -1 1 380.213 3.675 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001472316580 1073416901 /nfs/dbraw/zinc/41/69/01/1073416901.db2.gz XORQFMDYQPIIMV-UHFFFAOYSA-N -1 1 385.826 3.789 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC001472579049 1073558973 /nfs/dbraw/zinc/55/89/73/1073558973.db2.gz FMULSFTYNSKDNL-CYBMUJFWSA-N -1 1 391.309 3.890 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])c2ccccc21 ZINC001472592017 1073566427 /nfs/dbraw/zinc/56/64/27/1073566427.db2.gz OXZBZYZBRSHEBT-HIFRSBDPSA-N -1 1 387.407 3.537 20 10 GHCDMM O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1cccc(Cl)c1[O-] ZINC001475774069 1075018900 /nfs/dbraw/zinc/01/89/00/1075018900.db2.gz PSRAEDWUWYJQEG-UHFFFAOYSA-N -1 1 380.680 3.972 20 10 GHCDMM O=C([O-])CN(Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc2ccccc2c1 ZINC000739793662 600315471 /nfs/dbraw/zinc/31/54/71/600315471.db2.gz KNPVHQCCOMUELZ-FQEVSTJZSA-N -1 1 385.847 3.819 20 10 GHCDMM O=C([O-])CN(Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc2ccccc2c1 ZINC000739793663 600316006 /nfs/dbraw/zinc/31/60/06/600316006.db2.gz KNPVHQCCOMUELZ-HXUWFJFHSA-N -1 1 385.847 3.819 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c(=O)c1-c1ccccc1 ZINC000833030241 601819868 /nfs/dbraw/zinc/81/98/68/601819868.db2.gz RNDYJFBILDJVAB-DYVFJYSZSA-N -1 1 393.439 3.627 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833030321 601893072 /nfs/dbraw/zinc/89/30/72/601893072.db2.gz UVKAGXLCVRBVET-HSZRJFAPSA-N -1 1 393.439 3.771 20 10 GHCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)cc1C ZINC000822241458 606394136 /nfs/dbraw/zinc/39/41/36/606394136.db2.gz XHSZIPADZCHTSJ-RIYZIHGNSA-N -1 1 399.526 3.951 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCOc3ccccc3C2)c1[O-] ZINC000728196281 835095538 /nfs/dbraw/zinc/09/55/38/835095538.db2.gz NZGIBHIIXYHMTN-UHFFFAOYSA-N -1 1 375.424 3.723 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCOc3ccccc3C2)c1[O-] ZINC000728196281 835095547 /nfs/dbraw/zinc/09/55/47/835095547.db2.gz NZGIBHIIXYHMTN-UHFFFAOYSA-N -1 1 375.424 3.723 20 10 GHCDMM CC1=NN(c2ccc(C(=O)NCc3cccc(Br)c3[O-])cc2)CC1 ZINC000765754759 856083920 /nfs/dbraw/zinc/08/39/20/856083920.db2.gz WHOYOHREISSXTF-UHFFFAOYSA-N -1 1 388.265 3.671 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000765756376 856109370 /nfs/dbraw/zinc/10/93/70/856109370.db2.gz MVGWIDRWYIXKJF-DGCLKSJQSA-N -1 1 382.204 3.853 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000764766247 859594548 /nfs/dbraw/zinc/59/45/48/859594548.db2.gz GUALQIGJDUPKIZ-DZGCQCFKSA-N -1 1 379.229 3.649 20 10 GHCDMM CC(C)Oc1ccccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764761534 859598298 /nfs/dbraw/zinc/59/82/98/859598298.db2.gz AQSNUCJTDLCPHH-UHFFFAOYSA-N -1 1 393.281 3.941 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCc1cccc2cccnc21 ZINC000764770268 859604607 /nfs/dbraw/zinc/60/46/07/859604607.db2.gz YPWHGQTUSOLNHW-UHFFFAOYSA-N -1 1 386.249 3.702 20 10 GHCDMM COc1cccc(F)c1[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792615 859611227 /nfs/dbraw/zinc/61/12/27/859611227.db2.gz WJUSBHUFPCAWDP-JTQLQIEISA-N -1 1 397.244 3.863 20 10 GHCDMM CC(C)O[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764804394 859615333 /nfs/dbraw/zinc/61/53/33/859615333.db2.gz GCDDTPCPVTVJAO-KBPBESRZSA-N -1 1 385.302 3.546 20 10 GHCDMM CS[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000764808409 859623648 /nfs/dbraw/zinc/62/36/48/859623648.db2.gz XTSFXCXBHRTLSH-GFCCVEGCSA-N -1 1 375.332 3.732 20 10 GHCDMM [O-]c1c(Br)cccc1CNc1ncnc2c1cnn2-c1ccccc1 ZINC000764935594 859690333 /nfs/dbraw/zinc/69/03/33/859690333.db2.gz ZBZHXOQRHVPNKA-UHFFFAOYSA-N -1 1 396.248 3.896 20 10 GHCDMM COC(=O)c1ccc(C)c(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765218829 859844249 /nfs/dbraw/zinc/84/42/49/859844249.db2.gz SWMFIJBSHHVOKA-UHFFFAOYSA-N -1 1 393.237 3.571 20 10 GHCDMM O=C(NCC[C@@H]1CC1(Cl)Cl)NCc1cccc(Br)c1[O-] ZINC000856890234 881836795 /nfs/dbraw/zinc/83/67/95/881836795.db2.gz ADSWBCSXCLHYKN-SECBINFHSA-N -1 1 382.085 3.538 20 10 GHCDMM Cc1cc(Br)cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001195882274 872734750 /nfs/dbraw/zinc/73/47/50/872734750.db2.gz MFMYCTZFVISTQN-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM C[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1n1ccnc1 ZINC000121509465 874316388 /nfs/dbraw/zinc/31/63/88/874316388.db2.gz BYASHBCXIJZDND-JXFKEZNVSA-N -1 1 391.471 3.608 20 10 GHCDMM C[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1n1ccnc1 ZINC000121509465 874316395 /nfs/dbraw/zinc/31/63/95/874316395.db2.gz BYASHBCXIJZDND-JXFKEZNVSA-N -1 1 391.471 3.608 20 10 GHCDMM CC[C@@H](C)[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000772522279 875994413 /nfs/dbraw/zinc/99/44/13/875994413.db2.gz HDPHRMUHZLJNDA-PELKAZGASA-N -1 1 383.208 3.931 20 10 GHCDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000180526726 878986922 /nfs/dbraw/zinc/98/69/22/878986922.db2.gz LAJYGUDQFKHACM-OAHLLOKOSA-N -1 1 395.377 3.938 20 10 GHCDMM O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789956270 879363926 /nfs/dbraw/zinc/36/39/26/879363926.db2.gz DBGCNKJHZHSQHK-CQSZACIVSA-N -1 1 396.821 3.596 20 10 GHCDMM C[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])[C@@H]1CO ZINC001203565209 912465805 /nfs/dbraw/zinc/46/58/05/912465805.db2.gz WMERWMXRGZTOJX-NOZJJQNGSA-N -1 1 393.119 3.510 20 10 GHCDMM CC[C@H](NCc1nnnn1-c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806133936 884352752 /nfs/dbraw/zinc/35/27/52/884352752.db2.gz FYEGFVKHEJXHOX-HNNXBMFYSA-N -1 1 378.263 3.916 20 10 GHCDMM C[C@@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794842886 888420011 /nfs/dbraw/zinc/42/00/11/888420011.db2.gz SZXSXWJIYZXDHM-YGRLFVJLSA-N -1 1 386.326 3.583 20 10 GHCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000811793812 890009871 /nfs/dbraw/zinc/00/98/71/890009871.db2.gz XMZQJWJEZZTJSY-NZQKXSOJSA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000811793812 890009885 /nfs/dbraw/zinc/00/98/85/890009885.db2.gz XMZQJWJEZZTJSY-NZQKXSOJSA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000811793812 890009899 /nfs/dbraw/zinc/00/98/99/890009899.db2.gz XMZQJWJEZZTJSY-NZQKXSOJSA-N -1 1 393.483 3.862 20 10 GHCDMM C[C@H](Nc1ccc(COCCO)cc1)c1cc(Br)c(F)cc1[O-] ZINC000818362347 896147273 /nfs/dbraw/zinc/14/72/73/896147273.db2.gz VCEBHRBQAPKNKS-NSHDSACASA-N -1 1 384.245 3.976 20 10 GHCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000773251072 904614969 /nfs/dbraw/zinc/61/49/69/904614969.db2.gz ILPWKVDYEVZROQ-UHFFFAOYSA-N -1 1 399.490 3.649 20 10 GHCDMM COc1c([O-])c(CN[C@H](CCc2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775058103 914873695 /nfs/dbraw/zinc/87/36/95/914873695.db2.gz SVTXDIHOBWQWDG-OAHLLOKOSA-N -1 1 384.354 3.962 20 10 GHCDMM CCNC(=O)c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001175632329 907651612 /nfs/dbraw/zinc/65/16/12/907651612.db2.gz JYDMNAUCEADBEI-UHFFFAOYSA-N -1 1 386.407 3.661 20 10 GHCDMM CN1C(=O)CCc2cc(NCc3cc(Br)cc(F)c3[O-])ccc21 ZINC001178005167 908845006 /nfs/dbraw/zinc/84/50/06/908845006.db2.gz OSLOHLAFNWKMRR-UHFFFAOYSA-N -1 1 379.229 3.815 20 10 GHCDMM O=C(c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1Cl)N1CCOCC1 ZINC001179049489 909363197 /nfs/dbraw/zinc/36/31/97/909363197.db2.gz RLYJCUZBSABNTI-UHFFFAOYSA-N -1 1 399.249 3.923 20 10 GHCDMM CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000269023908 910107078 /nfs/dbraw/zinc/10/70/78/910107078.db2.gz QADOOPPFXYADGL-UHFFFAOYSA-N -1 1 399.472 3.572 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1c(Cl)cc(F)cc1Br ZINC000758170049 929959265 /nfs/dbraw/zinc/95/92/65/929959265.db2.gz HNJVOKQFPOILIZ-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM O=C(Cc1cc2c(ccc3ccccc23)o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784351577 931865838 /nfs/dbraw/zinc/86/58/38/931865838.db2.gz PJDBDWFSXJATSL-UHFFFAOYSA-N -1 1 376.364 3.966 20 10 GHCDMM O=C(CO[C@H]1CCCc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000797759896 932398929 /nfs/dbraw/zinc/39/89/29/932398929.db2.gz QAKPEKDRGMRPFC-KRWDZBQOSA-N -1 1 390.277 3.865 20 10 GHCDMM CC(C)Oc1cc(NCc2cccc(Br)c2[O-])ccc1C(N)=O ZINC000798086240 932524535 /nfs/dbraw/zinc/52/45/35/932524535.db2.gz MGOSSBGKZFEAQN-UHFFFAOYSA-N -1 1 379.254 3.653 20 10 GHCDMM Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000799150163 932889211 /nfs/dbraw/zinc/88/92/11/932889211.db2.gz LOJIINUDDUIQRO-FQEVSTJZSA-N -1 1 391.471 3.790 20 10 GHCDMM Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000799150163 932889216 /nfs/dbraw/zinc/88/92/16/932889216.db2.gz LOJIINUDDUIQRO-FQEVSTJZSA-N -1 1 391.471 3.790 20 10 GHCDMM CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314246 991295104 /nfs/dbraw/zinc/29/51/04/991295104.db2.gz JXEUECVLAQJLCK-PHWHVTFISA-N -1 1 378.394 3.941 20 10 GHCDMM CN(C)c1ccc(CNCc2ccc(C(=O)[O-])cc2Br)cc1F ZINC001598320421 991316593 /nfs/dbraw/zinc/31/65/93/991316593.db2.gz FBQBAAKMQMYGLM-UHFFFAOYSA-N -1 1 381.245 3.642 20 10 GHCDMM C[C@H](N[C@@H](CCO)c1ccccc1Br)c1cc(C(=O)[O-])ccc1O ZINC001593210539 994249611 /nfs/dbraw/zinc/24/96/11/994249611.db2.gz RAAULAPTMORPSK-ZBEGNZNMSA-N -1 1 394.265 3.627 20 10 GHCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001155226263 1032463372 /nfs/dbraw/zinc/46/33/72/1032463372.db2.gz SGOAUBBGULKFMT-QGZVFWFLSA-N -1 1 390.395 3.663 20 10 GHCDMM O=C(Nc1cccc(F)c1N1CCCCC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232284 1032465190 /nfs/dbraw/zinc/46/51/90/1032465190.db2.gz QEUHJUDYQKGINF-UHFFFAOYSA-N -1 1 398.390 3.586 20 10 GHCDMM CCC[C@H](CC(=O)OCC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228114011 1032790326 /nfs/dbraw/zinc/79/03/26/1032790326.db2.gz HDRHVCBBDKXFPJ-OAHLLOKOSA-N -1 1 388.416 3.535 20 10 GHCDMM O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)NCc1cccc(Br)c1[O-] ZINC000935663665 1019026185 /nfs/dbraw/zinc/02/61/85/1019026185.db2.gz YHDRXNKJLNDRBZ-ZYHUDNBSSA-N -1 1 396.203 3.661 20 10 GHCDMM C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756381922 1023620890 /nfs/dbraw/zinc/62/08/90/1023620890.db2.gz OTPLEGWPAHBEPW-OTYXRUKQSA-N -1 1 383.673 3.685 20 10 GHCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000831412552 1024552169 /nfs/dbraw/zinc/55/21/69/1024552169.db2.gz LTKHALGOXWJWPT-QGZVFWFLSA-N -1 1 387.304 3.967 20 10 GHCDMM [O-]c1c(F)ccc(F)c1CN1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001139689737 1026542616 /nfs/dbraw/zinc/54/26/16/1026542616.db2.gz LBESTTMVZUKBDN-JTQLQIEISA-N -1 1 389.324 3.523 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@@H](c3c(F)cccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000843437141 1030010336 /nfs/dbraw/zinc/01/03/36/1030010336.db2.gz WWMDVJDSEMXQRT-OAHLLOKOSA-N -1 1 396.802 3.675 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(N2CCCC2=O)cc1 ZINC001225082921 1031249579 /nfs/dbraw/zinc/24/95/79/1031249579.db2.gz HIMASKFAELNEJC-CYBMUJFWSA-N -1 1 387.867 3.733 20 10 GHCDMM C[C@@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ccncc1F ZINC001229198699 1033336322 /nfs/dbraw/zinc/33/63/22/1033336322.db2.gz PBHWPKMJZDPDRC-SNVBAGLBSA-N -1 1 379.343 3.547 20 10 GHCDMM CN1CCC[C@@H](OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC001229414209 1033469221 /nfs/dbraw/zinc/46/92/21/1033469221.db2.gz JWXFMCZNWUUXIQ-FZFLATATSA-N -1 1 391.449 3.527 20 10 GHCDMM COc1cc([O-])c2c(=O)c(O[C@@H]3C=CCC3)c(-c3ccc(O)c(O)c3)oc2c1 ZINC001229791342 1033717569 /nfs/dbraw/zinc/71/75/69/1033717569.db2.gz PMQQHCBAECHEGM-GFCCVEGCSA-N -1 1 382.368 3.683 20 10 GHCDMM Cc1c([C@@H](C)Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)cnn1C ZINC001229829859 1033739876 /nfs/dbraw/zinc/73/98/76/1033739876.db2.gz ZDHGAEUYCNFGAG-CYBMUJFWSA-N -1 1 376.412 3.658 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC001207825117 1034603115 /nfs/dbraw/zinc/60/31/15/1034603115.db2.gz USASNLXRTICSJE-UHFFFAOYSA-N -1 1 397.313 3.516 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001231909880 1034984704 /nfs/dbraw/zinc/98/47/04/1034984704.db2.gz HABBDYQLEZMEKI-LAUBAEHRSA-N -1 1 388.895 3.891 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001231911167 1034985326 /nfs/dbraw/zinc/98/53/26/1034985326.db2.gz DUCTYANVRBZTGS-SIXWZSSISA-N -1 1 394.924 3.698 20 10 GHCDMM COC(CN(Cc1ccccc1)Cc1c([O-])cc(Br)cc1F)OC ZINC001233027250 1038778192 /nfs/dbraw/zinc/77/81/92/1038778192.db2.gz OPNFATLXDVZFKV-UHFFFAOYSA-N -1 1 398.272 3.915 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001233027215 1038778235 /nfs/dbraw/zinc/77/82/35/1038778235.db2.gz NFFQZCGXIYATCT-ZDUSSCGKSA-N -1 1 386.183 3.573 20 10 GHCDMM CC(C)OCc1ncn2c1CN(Cc1cccc(C(F)(F)F)c1[O-])CCC2 ZINC001233418062 1039277272 /nfs/dbraw/zinc/27/72/72/1039277272.db2.gz ROEWDEOZPMQJHA-UHFFFAOYSA-N -1 1 383.414 3.938 20 10 GHCDMM COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419538 1039282557 /nfs/dbraw/zinc/28/25/57/1039282557.db2.gz BOVHFEVCTSDBMZ-WMZOPIPTSA-N -1 1 395.377 3.526 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001234473400 1040055614 /nfs/dbraw/zinc/05/56/14/1040055614.db2.gz GFLZBCBRJBRENW-UHFFFAOYSA-N -1 1 391.464 3.859 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCN(Cc2ccccc2)CC1 ZINC001235294044 1040767308 /nfs/dbraw/zinc/76/73/08/1040767308.db2.gz LWXVKPGOSJDNEA-UHFFFAOYSA-N -1 1 379.273 3.612 20 10 GHCDMM O=C(NC1CCN(Cc2cc(F)cc(Br)c2[O-])CC1)C1CCCC1 ZINC001235302996 1040775870 /nfs/dbraw/zinc/77/58/70/1040775870.db2.gz XVWVBMJOPAQXCP-UHFFFAOYSA-N -1 1 399.304 3.565 20 10 GHCDMM Cc1cccnc1O[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235309894 1040783063 /nfs/dbraw/zinc/78/30/63/1040783063.db2.gz YKJQFIQLSPZQAB-AWEZNQCLSA-N -1 1 381.245 3.651 20 10 GHCDMM Cc1ccc2c(c1)S[C@H](C(=O)NCc1cccc(Br)c1[O-])C2 ZINC001255877271 1041371287 /nfs/dbraw/zinc/37/12/87/1041371287.db2.gz PZLVMXFHNGHNTF-HNNXBMFYSA-N -1 1 378.291 3.796 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(c2cccc3c2OCCO3)CC1 ZINC001236795612 1041900822 /nfs/dbraw/zinc/90/08/22/1041900822.db2.gz IEICULFCHZVGRI-UHFFFAOYSA-N -1 1 395.286 3.792 20 10 GHCDMM COc1ccc(C(=O)N2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)cc1 ZINC001237087328 1042029799 /nfs/dbraw/zinc/02/97/99/1042029799.db2.gz VEOIOWZARUJERJ-UHFFFAOYSA-N -1 1 395.286 3.666 20 10 GHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237619600 1042286248 /nfs/dbraw/zinc/28/62/48/1042286248.db2.gz AKEDIOQSPDRHTG-QMMMGPOBSA-N -1 1 379.741 3.966 20 10 GHCDMM O=C(NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1)c1ccc(F)cc1 ZINC001237803131 1042379252 /nfs/dbraw/zinc/37/92/52/1042379252.db2.gz QQQUCIGWVLWJIX-UHFFFAOYSA-N -1 1 380.822 3.718 20 10 GHCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc([O-])c1F ZINC001294160621 1044503378 /nfs/dbraw/zinc/50/33/78/1044503378.db2.gz IKPMICZISOEZCT-LBPRGKRZSA-N -1 1 380.366 3.532 20 10 GHCDMM COC(=O)CS(=O)(=O)[N-]c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1 ZINC001259026667 1044927159 /nfs/dbraw/zinc/92/71/59/1044927159.db2.gz RHGRCLWJPXMAAV-UHFFFAOYSA-N -1 1 397.452 3.641 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cc(F)c(F)cc1Cl ZINC001260287078 1045444474 /nfs/dbraw/zinc/44/44/74/1045444474.db2.gz ROVZEHOVPKYKDN-UHFFFAOYSA-N -1 1 386.851 3.697 20 10 GHCDMM Cc1cc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)ccc1Br ZINC001261048656 1045869935 /nfs/dbraw/zinc/86/99/35/1045869935.db2.gz PPEKKDHITUAVMO-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001305084371 1047887076 /nfs/dbraw/zinc/88/70/76/1047887076.db2.gz IMLIYWNPPWXWPY-IBGZPJMESA-N -1 1 382.888 3.699 20 10 GHCDMM O=C(Cc1ccsc1)N1CCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279674470 1047909808 /nfs/dbraw/zinc/90/98/08/1047909808.db2.gz JAEJYIMABOGNRP-UHFFFAOYSA-N -1 1 397.327 3.790 20 10 GHCDMM O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1Cl ZINC001279685199 1047914982 /nfs/dbraw/zinc/91/49/82/1047914982.db2.gz XBXHHFCVNGXEQZ-OKILXGFUSA-N -1 1 394.899 3.664 20 10 GHCDMM Cc1cc(Cl)c(C(=O)NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC001467763467 1067457387 /nfs/dbraw/zinc/45/73/87/1067457387.db2.gz IQTDKJZMPUZWJI-UHFFFAOYSA-N -1 1 399.628 3.955 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCN(c2ccccc2F)C1 ZINC001469647226 1068283054 /nfs/dbraw/zinc/28/30/54/1068283054.db2.gz UYPMPNJKQWABKJ-CQSZACIVSA-N -1 1 377.847 3.653 20 10 GHCDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1nc(-c2ccccc2)no1 ZINC001478344764 1078825069 /nfs/dbraw/zinc/82/50/69/1078825069.db2.gz DQMYACVNUSWXBF-LBPRGKRZSA-N -1 1 386.839 3.699 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001472315864 1073417081 /nfs/dbraw/zinc/41/70/81/1073417081.db2.gz HEECKJNOONSXEX-PDGQHHTCSA-N -1 1 396.830 3.726 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001472613908 1073575877 /nfs/dbraw/zinc/57/58/77/1073575877.db2.gz CLVOUGORVLWZNN-CQSZACIVSA-N -1 1 381.407 3.647 20 10 GHCDMM O=C([O-])CC[N@H+](Cc1ccncc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000833234726 601561036 /nfs/dbraw/zinc/56/10/36/601561036.db2.gz SLAPBTXQKZCFSV-UHFFFAOYSA-N -1 1 380.444 3.889 20 10 GHCDMM O=C([O-])CC[N@@H+](Cc1ccncc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000833234726 601561038 /nfs/dbraw/zinc/56/10/38/601561038.db2.gz SLAPBTXQKZCFSV-UHFFFAOYSA-N -1 1 380.444 3.889 20 10 GHCDMM Cc1cc([C@@H]2CCC[N@@H+]2Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])on1 ZINC000728195661 835093717 /nfs/dbraw/zinc/09/37/17/835093717.db2.gz KORFLWPVFZXEBL-SFHVURJKSA-N -1 1 378.428 3.962 20 10 GHCDMM Cc1cc([C@@H]2CCC[N@H+]2Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])on1 ZINC000728195661 835093726 /nfs/dbraw/zinc/09/37/26/835093726.db2.gz KORFLWPVFZXEBL-SFHVURJKSA-N -1 1 378.428 3.962 20 10 GHCDMM O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890757258 836681149 /nfs/dbraw/zinc/68/11/49/836681149.db2.gz AUFIRVBHQATIQS-MDZDMXLPSA-N -1 1 398.890 3.614 20 10 GHCDMM CC(C)(C)n1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C(F)(F)F ZINC000890757918 836684931 /nfs/dbraw/zinc/68/49/31/836684931.db2.gz NCELRZILZNISJP-UHFFFAOYSA-N -1 1 375.778 3.946 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890762470 836733646 /nfs/dbraw/zinc/73/36/46/836733646.db2.gz DKSAWSAUUVYYTE-MQMHXKEQSA-N -1 1 382.888 3.745 20 10 GHCDMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000108339215 855831705 /nfs/dbraw/zinc/83/17/05/855831705.db2.gz CHNAGWPMUUFWHT-UHFFFAOYSA-N -1 1 388.533 3.913 20 10 GHCDMM CC(C)c1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765927345 856402267 /nfs/dbraw/zinc/40/22/67/856402267.db2.gz QKOAFKZEJBWWOW-UHFFFAOYSA-N -1 1 391.265 3.533 20 10 GHCDMM COCCCOc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765770308 857668919 /nfs/dbraw/zinc/66/89/19/857668919.db2.gz OANQAMNMIKQSKY-UHFFFAOYSA-N -1 1 394.265 3.500 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCOc2ccccc21 ZINC000764779582 859608408 /nfs/dbraw/zinc/60/84/08/859608408.db2.gz JTWAGICJOROUCW-LBPRGKRZSA-N -1 1 391.265 3.520 20 10 GHCDMM O=C1CCCC(=O)N1Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000761229718 859654404 /nfs/dbraw/zinc/65/44/04/859654404.db2.gz TZDTWJKQEXVMCV-UHFFFAOYSA-N -1 1 376.815 3.836 20 10 GHCDMM O=C(Nc1ccccc1)c1ccc(NCc2cccc(Br)c2[O-])nn1 ZINC000764934811 859690044 /nfs/dbraw/zinc/69/00/44/859690044.db2.gz MOTFSHQWYKZWME-UHFFFAOYSA-N -1 1 399.248 3.809 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cc(F)c(F)cc1F ZINC000765282699 859887349 /nfs/dbraw/zinc/88/73/49/859887349.db2.gz WVGIFMQNVPJCOT-UHFFFAOYSA-N -1 1 375.144 3.894 20 10 GHCDMM Cc1cccc2c1CC[C@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000765482956 859996699 /nfs/dbraw/zinc/99/66/99/859996699.db2.gz SXZIMFGLLIOJRE-MRXNPFEDSA-N -1 1 375.266 3.950 20 10 GHCDMM CC[C@H](CNC(=O)NCc1cccc(Br)c1[O-])CC(F)(F)F ZINC000840429749 860450489 /nfs/dbraw/zinc/45/04/89/860450489.db2.gz LJTVSXKLLGAUQM-VIFPVBQESA-N -1 1 383.208 3.933 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000765731704 860500459 /nfs/dbraw/zinc/50/04/59/860500459.db2.gz KPRFXJBWKGOQJQ-GHMZBOCLSA-N -1 1 382.204 3.853 20 10 GHCDMM COc1ccccc1C(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765748673 860563368 /nfs/dbraw/zinc/56/33/68/860563368.db2.gz ZUSUQEUORVDMIU-UHFFFAOYSA-N -1 1 378.266 3.757 20 10 GHCDMM C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1cccc(Br)c1[O-] ZINC000765751934 860569627 /nfs/dbraw/zinc/56/96/27/860569627.db2.gz ASCWDYFBKXDCJH-NSHDSACASA-N -1 1 394.240 3.819 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCc2ccc(F)cc2C1 ZINC001237778855 864299140 /nfs/dbraw/zinc/29/91/40/864299140.db2.gz CCZHFMIGHQPCAY-UHFFFAOYSA-N -1 1 383.204 3.694 20 10 GHCDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(O)c4ccccc34)c2)o1 ZINC001192264554 870249054 /nfs/dbraw/zinc/24/90/54/870249054.db2.gz DPOCBEUZVZDCQN-UHFFFAOYSA-N -1 1 381.413 3.705 20 10 GHCDMM Cc1nc(CNCc2cc(Br)cc(Br)c2[O-])cs1 ZINC001199118812 874827580 /nfs/dbraw/zinc/82/75/80/874827580.db2.gz RFPDVYWELKYGDL-UHFFFAOYSA-N -1 1 392.116 3.972 20 10 GHCDMM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1cc(F)cc(F)c1[O-] ZINC001202334906 876149380 /nfs/dbraw/zinc/14/93/80/876149380.db2.gz FVCPMSDIPLEYOO-UHFFFAOYSA-N -1 1 384.448 3.620 20 10 GHCDMM COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cncc([O-])c2)cc1 ZINC000786140852 876469478 /nfs/dbraw/zinc/46/94/78/876469478.db2.gz XUNASHLWPLEGBK-UHFFFAOYSA-N -1 1 377.444 3.709 20 10 GHCDMM COCCNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1Cl ZINC000789889650 879316216 /nfs/dbraw/zinc/31/62/16/879316216.db2.gz LKQLAEZENWCSHJ-UHFFFAOYSA-N -1 1 387.238 3.826 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccn(C2CCCCC2)n1 ZINC000792484891 881139741 /nfs/dbraw/zinc/13/97/41/881139741.db2.gz WUCVNHHRFAXVCD-UHFFFAOYSA-N -1 1 378.270 3.786 20 10 GHCDMM O=c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1Cc1ccccn1 ZINC001168525454 883710549 /nfs/dbraw/zinc/71/05/49/883710549.db2.gz FHCJZFFKDXNYAJ-UHFFFAOYSA-N -1 1 392.846 3.811 20 10 GHCDMM Cc1cc(C)cc(C[C@H]([NH2+]Cc2c([O-])cccc2Br)C(=O)[O-])c1 ZINC000864507154 887811598 /nfs/dbraw/zinc/81/15/98/887811598.db2.gz HXFBINJSOPVXCH-INIZCTEOSA-N -1 1 378.266 3.557 20 10 GHCDMM CC(=O)N1CCCN(Cc2cccc(Br)c2[O-])c2ccccc21 ZINC000809786009 887839599 /nfs/dbraw/zinc/83/95/99/887839599.db2.gz LQQFSXRAKMWWPL-UHFFFAOYSA-N -1 1 375.266 3.918 20 10 GHCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794707697 887924474 /nfs/dbraw/zinc/92/44/74/887924474.db2.gz MIMJZIMUXLORHT-CJLVFECKSA-N -1 1 395.462 3.711 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nc(-c3cccs3)no2)c1[O-] ZINC000796101608 913276172 /nfs/dbraw/zinc/27/61/72/913276172.db2.gz XZJWJIXWPBTWEA-UHFFFAOYSA-N -1 1 377.853 3.992 20 10 GHCDMM CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000916611390 889183398 /nfs/dbraw/zinc/18/33/98/889183398.db2.gz JWWIDSLSFMJEHB-UHFFFAOYSA-N -1 1 394.807 3.588 20 10 GHCDMM CO[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccc(Br)s1 ZINC001159041546 892101604 /nfs/dbraw/zinc/10/16/04/892101604.db2.gz RJLYAKOSKYUFAL-ZDUSSCGKSA-N -1 1 390.686 3.874 20 10 GHCDMM CC1(c2nnc(-c3cccc(F)c3)o2)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877644246 893739500 /nfs/dbraw/zinc/73/95/00/893739500.db2.gz PGGQHWVUPDZPFN-UHFFFAOYSA-N -1 1 375.350 3.633 20 10 GHCDMM COc1cccc2c1[C@@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000816496254 894862891 /nfs/dbraw/zinc/86/28/91/894862891.db2.gz CBECKIBDAYUDNC-ZDUSSCGKSA-N -1 1 376.250 3.510 20 10 GHCDMM CCOC(=O)C1CCC(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000843867921 900264118 /nfs/dbraw/zinc/26/41/18/900264118.db2.gz UVDNQIJRUGNFER-UHFFFAOYSA-N -1 1 398.297 3.531 20 10 GHCDMM COc1c([O-])c(CN2CCCCC[C@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000775055953 914850184 /nfs/dbraw/zinc/85/01/84/914850184.db2.gz IAUNREAEQBOPBG-HNNXBMFYSA-N -1 1 390.440 3.933 20 10 GHCDMM C[S@@](=O)c1ccccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001175306110 907490767 /nfs/dbraw/zinc/49/07/67/907490767.db2.gz AQWHCNOHFSFFCM-HHHXNRCGSA-N -1 1 377.421 3.649 20 10 GHCDMM COc1cccc(CN2CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CC2)c1 ZINC001175492160 907572859 /nfs/dbraw/zinc/57/28/59/907572859.db2.gz MOTZXCNMKMZMMK-UHFFFAOYSA-N -1 1 388.895 3.575 20 10 GHCDMM O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NCc1cccc(Cl)c1[O-] ZINC001180409890 910151895 /nfs/dbraw/zinc/15/18/95/910151895.db2.gz HUCFJHYJYBAJFU-UHFFFAOYSA-N -1 1 379.165 3.972 20 10 GHCDMM O=C(c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)C1CCC1 ZINC001188137924 915775255 /nfs/dbraw/zinc/77/52/55/915775255.db2.gz KPSPQYWHDSBNEX-UHFFFAOYSA-N -1 1 394.290 3.974 20 10 GHCDMM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000826889903 924324991 /nfs/dbraw/zinc/32/49/91/924324991.db2.gz ZXHIBONTNNOGFB-ZJUUUORDSA-N -1 1 386.197 3.872 20 10 GHCDMM COc1c(N[C@H](C)c2cc(Br)c(F)cc2[O-])cccc1C(N)=O ZINC000757658694 929762128 /nfs/dbraw/zinc/76/21/28/929762128.db2.gz KBFDCJIZQUNXJY-MRVPVSSYSA-N -1 1 383.217 3.574 20 10 GHCDMM O=C([O-])CCCN1C(=O)/C(=C\c2cc(Cl)c(O)cc2Cl)SC1=S ZINC000759036493 930251711 /nfs/dbraw/zinc/25/17/11/930251711.db2.gz WPOAZBPDTPVUJZ-VZUCSPMQSA-N -1 1 392.285 3.765 20 10 GHCDMM O=C(COC(c1ccccc1)c1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782486588 931239381 /nfs/dbraw/zinc/23/93/81/931239381.db2.gz XLMIJZUPEGHBMN-UHFFFAOYSA-N -1 1 392.407 3.630 20 10 GHCDMM O=C(COC(=O)[C@H](Oc1ccccc1)c1ccccc1)c1ccc([O-])c(O)c1 ZINC000783011692 931384554 /nfs/dbraw/zinc/38/45/54/931384554.db2.gz UVIQGVQDHSSFIF-OAQYLSRUSA-N -1 1 378.380 3.644 20 10 GHCDMM O=C(COC(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccc([O-])c(O)c1 ZINC000783964498 931733526 /nfs/dbraw/zinc/73/35/26/931733526.db2.gz YYIXWVBXCFBBQD-UHFFFAOYSA-N -1 1 399.786 3.978 20 10 GHCDMM C[C@@](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)(C(=O)[O-])c1ccccc1 ZINC001589054960 955684985 /nfs/dbraw/zinc/68/49/85/955684985.db2.gz BJZMWAVRQDKTDK-SFHVURJKSA-N -1 1 397.258 3.541 20 10 GHCDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227576615 1032469406 /nfs/dbraw/zinc/46/94/06/1032469406.db2.gz CELMJRDMAWZIOZ-ZIAGYGMSSA-N -1 1 394.423 3.668 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCSC2(CCC2)C1 ZINC000927272406 1017377770 /nfs/dbraw/zinc/37/77/70/1017377770.db2.gz KSFCZZJWFSBURA-LBPRGKRZSA-N -1 1 385.327 3.772 20 10 GHCDMM CO[C@@H](COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001228115692 1032789997 /nfs/dbraw/zinc/78/99/97/1032789997.db2.gz QAPZUOQMCHRKIW-IBGZPJMESA-N -1 1 380.396 3.801 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(N2CCCCC2)n1 ZINC001156789693 1033242573 /nfs/dbraw/zinc/24/25/73/1033242573.db2.gz AORKQXWVHZQEDO-UHFFFAOYSA-N -1 1 396.310 3.532 20 10 GHCDMM CC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1Cl ZINC001156790763 1033243599 /nfs/dbraw/zinc/24/35/99/1033243599.db2.gz FXDINFHFUGKMRZ-UHFFFAOYSA-N -1 1 397.656 3.697 20 10 GHCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000840915983 1027953054 /nfs/dbraw/zinc/95/30/54/1027953054.db2.gz VELIHLRMLMFFDI-UHFFFAOYSA-N -1 1 375.368 3.667 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001142418177 1028861248 /nfs/dbraw/zinc/86/12/48/1028861248.db2.gz APBUYODUAVYFKD-OAHLLOKOSA-N -1 1 378.472 3.986 20 10 GHCDMM Cc1cc(F)c(F)cc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217055873 1030127253 /nfs/dbraw/zinc/12/72/53/1030127253.db2.gz BWFHIDQHXLPBCR-UHFFFAOYSA-N -1 1 387.386 3.528 20 10 GHCDMM O=C(Nc1ccc2[nH]ccc2c1)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152601941 1031300898 /nfs/dbraw/zinc/30/08/98/1031300898.db2.gz NSPZQQHGEAMRRY-UHFFFAOYSA-N -1 1 398.374 3.607 20 10 GHCDMM Cc1cc2c(cc1Br)CN(C(=O)c1c([O-])c(O)ccc1F)CC2 ZINC001161855056 1035316340 /nfs/dbraw/zinc/31/63/40/1035316340.db2.gz STCLOWKTPTYHOI-UHFFFAOYSA-N -1 1 380.213 3.506 20 10 GHCDMM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333631 1039135379 /nfs/dbraw/zinc/13/53/79/1039135379.db2.gz CNVFJHGMRWNZIU-UHFFFAOYSA-N -1 1 396.441 3.791 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001233498852 1039394060 /nfs/dbraw/zinc/39/40/60/1039394060.db2.gz WMJBISNLTUDADE-QMHKHESXSA-N -1 1 399.487 3.749 20 10 GHCDMM CCCCN1C[C@@]2(F)CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@]2(F)C1=O ZINC001277992448 1041799781 /nfs/dbraw/zinc/79/97/81/1041799781.db2.gz HCQLSTSVARWDNP-DLBZAZTESA-N -1 1 393.261 3.574 20 10 GHCDMM O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795607 1041900538 /nfs/dbraw/zinc/90/05/38/1041900538.db2.gz IDMXPYHXNSPURK-AWEZNQCLSA-N -1 1 386.300 3.747 20 10 GHCDMM CS(=O)(=O)c1ccc(C2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)cc1 ZINC001237125344 1042052722 /nfs/dbraw/zinc/05/27/22/1042052722.db2.gz CRGJXFAJSNFWBM-UHFFFAOYSA-N -1 1 397.899 3.968 20 10 GHCDMM [O-]c1c(CN2CCC3(CC2)OCCO3)cc(Br)cc1C(F)(F)F ZINC001237783461 1042367819 /nfs/dbraw/zinc/36/78/19/1042367819.db2.gz IDJORQAIWAMVIL-UHFFFAOYSA-N -1 1 396.203 3.512 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCn2c(CCc3ccccc3)nnc2C1 ZINC001237944435 1042433053 /nfs/dbraw/zinc/43/30/53/1042433053.db2.gz UDQWTGLTIPHQNW-UHFFFAOYSA-N -1 1 386.858 3.577 20 10 GHCDMM COc1ccc(CS(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1 ZINC001259899609 1045331267 /nfs/dbraw/zinc/33/12/67/1045331267.db2.gz QHHTXWISBJUNPZ-UHFFFAOYSA-N -1 1 381.453 3.868 20 10 GHCDMM CC(C)(Cc1ccc(O)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC001297440466 1045523373 /nfs/dbraw/zinc/52/33/73/1045523373.db2.gz MVOOIRSZJKPXNE-UHFFFAOYSA-N -1 1 378.266 3.745 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(F)c2ccncc12 ZINC001297441002 1045524702 /nfs/dbraw/zinc/52/47/02/1045524702.db2.gz RCICXKXMWYXCJY-UHFFFAOYSA-N -1 1 375.197 3.772 20 10 GHCDMM C[C@@H](c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1)N1CCOCC1 ZINC001332822606 1051577655 /nfs/dbraw/zinc/57/76/55/1051577655.db2.gz QHILLORKCLAVHQ-AWEZNQCLSA-N -1 1 389.883 3.761 20 10 GHCDMM Cc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1C(=O)NC(C)C ZINC001335633891 1052142611 /nfs/dbraw/zinc/14/26/11/1052142611.db2.gz STTXLWXXXQDEIB-UHFFFAOYSA-N -1 1 375.856 3.814 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1nc(Cc2ccccc2)no1 ZINC001312211227 1052639000 /nfs/dbraw/zinc/63/90/00/1052639000.db2.gz BTBUWQMQVJUGAN-LBPRGKRZSA-N -1 1 386.839 3.580 20 10 GHCDMM O=C(COC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1ccc([O-])c(O)c1 ZINC001339322498 1059105410 /nfs/dbraw/zinc/10/54/10/1059105410.db2.gz MNIGXGRYSRRXEH-UHFFFAOYSA-N -1 1 379.290 3.638 20 10 GHCDMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001455352420 1062110126 /nfs/dbraw/zinc/11/01/26/1062110126.db2.gz QMTWXGFSEHXHFK-UHFFFAOYSA-N -1 1 378.480 3.540 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000765109799 1068110063 /nfs/dbraw/zinc/11/00/63/1068110063.db2.gz PYOKRQMMHVDHIR-GOSISDBHSA-N -1 1 392.507 3.750 20 10 GHCDMM O=C([O-])c1ccc2c(C=C3SC(=S)N(c4ccccc4)C3=O)[nH]nc2c1 ZINC000765498892 1068114620 /nfs/dbraw/zinc/11/46/20/1068114620.db2.gz AMDXPIFCONCUHL-OQLLNIDSSA-N -1 1 381.438 3.667 20 10 GHCDMM COc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])ccc1SC ZINC000737881463 600143969 /nfs/dbraw/zinc/14/39/69/600143969.db2.gz RABPFTUSJFNMHO-UHFFFAOYSA-N -1 1 381.881 3.863 20 10 GHCDMM COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])ccc1SC ZINC000737881463 600143972 /nfs/dbraw/zinc/14/39/72/600143972.db2.gz RABPFTUSJFNMHO-UHFFFAOYSA-N -1 1 381.881 3.863 20 10 GHCDMM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000832900324 601493611 /nfs/dbraw/zinc/49/36/11/601493611.db2.gz XMCWYKDOSJCFAI-UHFFFAOYSA-N -1 1 383.853 3.976 20 10 GHCDMM COc1ccccc1[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccn1 ZINC000376470685 837456656 /nfs/dbraw/zinc/45/66/56/837456656.db2.gz GBRLWXTUTQGVHH-IBGZPJMESA-N -1 1 395.415 3.592 20 10 GHCDMM O=C1/C(=C/c2ccc([O-])c(Br)c2)SC(=S)N1Cc1ccon1 ZINC000255061249 837472522 /nfs/dbraw/zinc/47/25/22/837472522.db2.gz NCMVKGKSMKHXHD-SDQBBNPISA-N -1 1 397.275 3.544 20 10 GHCDMM CCc1ccc(-c2noc([C@@H](C)NCc3ccc([N+](=O)[O-])c(OC)c3[O-])n2)cc1 ZINC000278402125 834970946 /nfs/dbraw/zinc/97/09/46/834970946.db2.gz OHVZCNAFDUWWML-GFCCVEGCSA-N -1 1 398.419 3.772 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000890759453 836699941 /nfs/dbraw/zinc/69/99/41/836699941.db2.gz CAVDZICHBIJLQN-LJQANCHMSA-N -1 1 375.852 3.599 20 10 GHCDMM O=C(Cc1ccc([O-])c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866897684 845333702 /nfs/dbraw/zinc/33/37/02/845333702.db2.gz FTUSQKBOOYJQDC-INIZCTEOSA-N -1 1 375.852 3.502 20 10 GHCDMM COc1ccc([C@@H](C)CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765770890 857713209 /nfs/dbraw/zinc/71/32/09/857713209.db2.gz RVSJOZOXZGDBPS-LBPRGKRZSA-N -1 1 378.266 3.973 20 10 GHCDMM O=C(CNc1ccc2c(c1)[C@H](c1ccccc1)CC(=O)N2)c1ccc([O-])c(O)c1 ZINC001170323326 881358313 /nfs/dbraw/zinc/35/83/13/881358313.db2.gz WYUPUDOTQOCVRK-KRWDZBQOSA-N -1 1 388.423 3.867 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c1 ZINC000761216830 859345575 /nfs/dbraw/zinc/34/55/75/859345575.db2.gz YKPLHDXADXQRBT-UHFFFAOYSA-N -1 1 397.357 3.932 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCc2ccc(F)cc21 ZINC000764778932 859608126 /nfs/dbraw/zinc/60/81/26/859608126.db2.gz LDWOBYCTZXYUKL-HNNXBMFYSA-N -1 1 379.229 3.781 20 10 GHCDMM O=C(Cc1c[nH]c2cc(F)ccc12)NCc1cccc(Br)c1[O-] ZINC000765733193 860513345 /nfs/dbraw/zinc/51/33/45/860513345.db2.gz VFCKZMFZQMNEAP-UHFFFAOYSA-N -1 1 377.213 3.634 20 10 GHCDMM CCCCn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1CC ZINC000765751188 860565371 /nfs/dbraw/zinc/56/53/71/860565371.db2.gz RITBXJMJNNKCMG-UHFFFAOYSA-N -1 1 380.286 3.644 20 10 GHCDMM COC(=O)c1sc2c(c1NC(=O)c1ccc(O)c([O-])c1Cl)CCCC2 ZINC001193220695 870951820 /nfs/dbraw/zinc/95/18/20/870951820.db2.gz VYLFGCZWOGHWOS-UHFFFAOYSA-N -1 1 381.837 3.730 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232192 870962863 /nfs/dbraw/zinc/96/28/63/870962863.db2.gz FUCMDBWRWIOQNC-BNOWGMLFSA-N -1 1 395.883 3.866 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1ncccc1C(F)(F)F ZINC001194582146 871809550 /nfs/dbraw/zinc/80/95/50/871809550.db2.gz NGMXJNPCWPNLFP-UHFFFAOYSA-N -1 1 399.438 3.569 20 10 GHCDMM O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(F)c2[O-])N1C[C@@H]1CCCO1 ZINC000768266925 873197650 /nfs/dbraw/zinc/19/76/50/873197650.db2.gz XEJOAWLAHPPYFZ-KPZWWZAWSA-N -1 1 376.815 3.930 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000858164086 882900867 /nfs/dbraw/zinc/90/08/67/882900867.db2.gz OVXDSBHMTJYHLL-ZDUSSCGKSA-N -1 1 378.192 3.590 20 10 GHCDMM CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2cc(F)cc(F)c2[O-])c1 ZINC001202328121 876140634 /nfs/dbraw/zinc/14/06/34/876140634.db2.gz CEPRINGQKNECLK-UHFFFAOYSA-N -1 1 398.475 3.930 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000790346269 879616918 /nfs/dbraw/zinc/61/69/18/879616918.db2.gz KOZPMTNKHNOZCU-UHFFFAOYSA-N -1 1 379.381 3.655 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](COc3ccccc3)C2)c1[O-] ZINC000792375911 881061964 /nfs/dbraw/zinc/06/19/64/881061964.db2.gz HOCOLLPDXZJAKX-SFHVURJKSA-N -1 1 375.852 3.528 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2cn(C)nc2C(F)(F)F)c1[O-] ZINC000155122715 881095447 /nfs/dbraw/zinc/09/54/47/881095447.db2.gz ZFQYLUDVECIICP-UHFFFAOYSA-N -1 1 375.778 3.633 20 10 GHCDMM CC[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cccc(Cl)c1[O-] ZINC000806154978 884412689 /nfs/dbraw/zinc/41/26/89/884412689.db2.gz LXPLXKXVXWWTFY-KRWDZBQOSA-N -1 1 376.888 3.864 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 ZINC000808112289 886021621 /nfs/dbraw/zinc/02/16/21/886021621.db2.gz QPHOOWOQXDFTLQ-UHFFFAOYSA-N -1 1 395.502 3.789 20 10 GHCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H](C)CCCC(C)C)cc12 ZINC001184362916 913146839 /nfs/dbraw/zinc/14/68/39/913146839.db2.gz WNNXTYPSOWIIDE-MRXNPFEDSA-N -1 1 388.508 3.570 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811803199 889986900 /nfs/dbraw/zinc/98/69/00/889986900.db2.gz IKAHNGMDNQPLAH-MRXNPFEDSA-N -1 1 397.862 3.626 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811803199 889986915 /nfs/dbraw/zinc/98/69/15/889986915.db2.gz IKAHNGMDNQPLAH-MRXNPFEDSA-N -1 1 397.862 3.626 20 10 GHCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1ccc(Br)cc1Cl ZINC001184806673 913418325 /nfs/dbraw/zinc/41/83/25/913418325.db2.gz TVQDRNZLYQDAML-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM COc1ccc(-c2cc(NCc3cc(Cl)cc(F)c3[O-])n(CCO)n2)cc1 ZINC001202578762 898214463 /nfs/dbraw/zinc/21/44/63/898214463.db2.gz CPDNVQULOQJMQI-UHFFFAOYSA-N -1 1 391.830 3.661 20 10 GHCDMM Cc1occc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093010258 901522211 /nfs/dbraw/zinc/52/22/11/901522211.db2.gz WQRJCQAYEUONSN-UHFFFAOYSA-N -1 1 383.275 3.995 20 10 GHCDMM Cc1sc(NC(=O)c2cc(O)c([O-])c(O)c2)c(C(=O)c2ccccc2)c1C ZINC001148580716 904126595 /nfs/dbraw/zinc/12/65/95/904126595.db2.gz KSBGVHHGELTUFE-UHFFFAOYSA-N -1 1 383.425 3.965 20 10 GHCDMM CN(C)C(=O)c1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001174086005 906825994 /nfs/dbraw/zinc/82/59/94/906825994.db2.gz FTJMPMYUOVLQIX-UHFFFAOYSA-N -1 1 386.407 3.613 20 10 GHCDMM CC[C@H](Cc1ccccc1Br)NC(=O)c1c([O-])c(O)ccc1F ZINC001182968253 912157580 /nfs/dbraw/zinc/15/75/80/912157580.db2.gz FKFVRWPLZOBDRF-LLVKDONJSA-N -1 1 382.229 3.751 20 10 GHCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188235783 915813129 /nfs/dbraw/zinc/81/31/29/915813129.db2.gz GBBUZYPWURIVTN-UHFFFAOYSA-N -1 1 388.701 3.538 20 10 GHCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2ccccc2cc1[O-] ZINC000098093646 916190305 /nfs/dbraw/zinc/19/03/05/916190305.db2.gz MUUGGYXXJNZDOP-UHFFFAOYSA-N -1 1 390.483 3.684 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c(C)c(C)c1O ZINC000775292178 916838294 /nfs/dbraw/zinc/83/82/94/916838294.db2.gz UBLSELNTZKUXSC-UHFFFAOYSA-N -1 1 384.841 3.988 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CC(=O)c2cccs2)c1[O-] ZINC000119577872 919640523 /nfs/dbraw/zinc/64/05/23/919640523.db2.gz LMMJWIACQVJFQO-HNNXBMFYSA-N -1 1 393.892 3.784 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000781902594 931019543 /nfs/dbraw/zinc/01/95/43/931019543.db2.gz QQKHEGOFIWCQGW-UHFFFAOYSA-N -1 1 395.341 3.688 20 10 GHCDMM O=C(C=Cc1cccc(OC2CCCC2)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783438616 931545870 /nfs/dbraw/zinc/54/58/70/931545870.db2.gz FTERCXJOAQDNMQ-FLIBITNWSA-N -1 1 382.412 3.859 20 10 GHCDMM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783743003 931639717 /nfs/dbraw/zinc/63/97/17/931639717.db2.gz FJIKDIAXYLEUOV-NSHDSACASA-N -1 1 382.334 3.721 20 10 GHCDMM O=C(COC(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1ccc([O-])c(O)c1 ZINC000783926265 931719248 /nfs/dbraw/zinc/71/92/48/931719248.db2.gz DSAATAJCIRLHBV-UHFFFAOYSA-N -1 1 381.359 3.702 20 10 GHCDMM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000798502856 932677403 /nfs/dbraw/zinc/67/74/03/932677403.db2.gz WUTYPGHFWRJREG-KRWDZBQOSA-N -1 1 378.831 3.715 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H](c1cccnc1)C1CC1 ZINC001228110353 1032787172 /nfs/dbraw/zinc/78/71/72/1032787172.db2.gz IUYKKCMCZNHDFV-OAQYLSRUSA-N -1 1 377.396 3.960 20 10 GHCDMM COC1=CC[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)CC1 ZINC001228191223 1032833036 /nfs/dbraw/zinc/83/30/36/1032833036.db2.gz PCBHJFZWZXDKLS-BEFAXECRSA-N -1 1 398.411 3.972 20 10 GHCDMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001204743430 1033059533 /nfs/dbraw/zinc/05/95/33/1033059533.db2.gz GUJOHJHKJTUYBS-QGZVFWFLSA-N -1 1 376.403 3.591 20 10 GHCDMM C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756712488 1023783888 /nfs/dbraw/zinc/78/38/88/1023783888.db2.gz QXGOKTXSLOLPLB-RTHLEPHNSA-N -1 1 390.199 3.956 20 10 GHCDMM CCO[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001141368863 1024745816 /nfs/dbraw/zinc/74/58/16/1024745816.db2.gz DXPZFBGRYIIBNJ-FMKPAKJESA-N -1 1 390.705 3.576 20 10 GHCDMM COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141377060 1024774338 /nfs/dbraw/zinc/77/43/38/1024774338.db2.gz HZEIVYFDTZWFLT-JTQLQIEISA-N -1 1 376.678 3.583 20 10 GHCDMM Cc1cnc(O[C@@H]2CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)nc1 ZINC001141377694 1024775243 /nfs/dbraw/zinc/77/52/43/1024775243.db2.gz XYUVVDDEHUGELR-CYBMUJFWSA-N -1 1 398.688 3.560 20 10 GHCDMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCc3ccc4cccnc4c3O)c2)o1 ZINC001162612248 1025829499 /nfs/dbraw/zinc/82/94/99/1025829499.db2.gz FQJCXGNMVZSOEM-UHFFFAOYSA-N -1 1 388.379 3.649 20 10 GHCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(CCO)c3ccc(N)cc3)c2)cc1 ZINC001211015333 1027752990 /nfs/dbraw/zinc/75/29/90/1027752990.db2.gz DRSLDZFQAALQIL-UHFFFAOYSA-N -1 1 397.500 3.508 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1cc(F)cc(N2CCOCC2)c1 ZINC001461313660 1069495370 /nfs/dbraw/zinc/49/53/70/1069495370.db2.gz KXRJOWBMTIWGAH-UHFFFAOYSA-N -1 1 399.235 3.882 20 10 GHCDMM COC(=O)Cc1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001213716300 1028346712 /nfs/dbraw/zinc/34/67/12/1028346712.db2.gz WPEMCNXAXZEMCD-UHFFFAOYSA-N -1 1 387.391 3.627 20 10 GHCDMM C[C@@H]1CC2(C[N@@H+]1Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])CCOCC2 ZINC000842636955 1029443669 /nfs/dbraw/zinc/44/36/69/1029443669.db2.gz GWYIGGGOKCKKST-MRXNPFEDSA-N -1 1 381.472 3.720 20 10 GHCDMM C[C@@H]1CC2(C[N@H+]1Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])CCOCC2 ZINC000842636955 1029443683 /nfs/dbraw/zinc/44/36/83/1029443683.db2.gz GWYIGGGOKCKKST-MRXNPFEDSA-N -1 1 381.472 3.720 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000842935869 1029698197 /nfs/dbraw/zinc/69/81/97/1029698197.db2.gz ILOJAZZMGPQRFM-VFNWGFHPSA-N -1 1 382.504 3.936 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1CN1CCOCC1 ZINC001217056041 1030129092 /nfs/dbraw/zinc/12/90/92/1030129092.db2.gz DSFHTGQOKFIVFJ-UHFFFAOYSA-N -1 1 377.400 3.688 20 10 GHCDMM CNC(=O)N(C)c1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001461718573 1069700825 /nfs/dbraw/zinc/70/08/25/1069700825.db2.gz PFWYNXICKYMCGR-UHFFFAOYSA-N -1 1 382.233 3.682 20 10 GHCDMM Cc1ccc([C@H](C)Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)cn1 ZINC001229198250 1033335134 /nfs/dbraw/zinc/33/51/34/1033335134.db2.gz YWTIYHIVIWSYKS-LBPRGKRZSA-N -1 1 375.380 3.717 20 10 GHCDMM C[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ncccc1F ZINC001229197317 1033335231 /nfs/dbraw/zinc/33/52/31/1033335231.db2.gz NNMKPAMMGUSNJM-JTQLQIEISA-N -1 1 379.343 3.547 20 10 GHCDMM O=C(/C=C/c1ccc(O)c(O)c1)Nc1c([O-])cc(Br)cc1Cl ZINC001157119518 1033422923 /nfs/dbraw/zinc/42/29/23/1033422923.db2.gz CNKDUEIBVAWRLA-DUXPYHPUSA-N -1 1 384.613 3.871 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](c1ccccc1)C(F)F ZINC001205469987 1033426871 /nfs/dbraw/zinc/42/68/71/1033426871.db2.gz FOLJYNFKWQMVJH-CYBMUJFWSA-N -1 1 385.208 3.960 20 10 GHCDMM C[C@@H]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@H]1C ZINC001229786980 1033714619 /nfs/dbraw/zinc/71/46/19/1033714619.db2.gz PRAADFCHVMTEIW-WZRBSPASSA-N -1 1 388.416 3.649 20 10 GHCDMM CCn1ncc2c1CN(Cc1cccc(Cl)c1[O-])C[C@H]2COCC1CC1 ZINC001231909528 1034984306 /nfs/dbraw/zinc/98/43/06/1034984306.db2.gz BUJFHBNZRLJMJO-INIZCTEOSA-N -1 1 375.900 3.788 20 10 GHCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001161610214 1035272202 /nfs/dbraw/zinc/27/22/02/1035272202.db2.gz VQXICEZDUPEACN-UHFFFAOYSA-N -1 1 385.222 3.506 20 10 GHCDMM COC(=O)c1cc(CN(C)Cc2cc(Br)cc(F)c2[O-])oc1C ZINC001462022278 1069950357 /nfs/dbraw/zinc/95/03/57/1069950357.db2.gz RUULKFPGZYIEJQ-UHFFFAOYSA-N -1 1 386.217 3.614 20 10 GHCDMM COc1ccccc1O[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030643 1038783235 /nfs/dbraw/zinc/78/32/35/1038783235.db2.gz JMMUXCSDDLWRKI-CYBMUJFWSA-N -1 1 396.256 3.956 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H]2c2cccnc2)c1 ZINC001233306301 1039096921 /nfs/dbraw/zinc/09/69/21/1039096921.db2.gz MCFUAYARPUFWMV-INIZCTEOSA-N -1 1 391.265 3.673 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)[C@H](C(F)(F)F)C1 ZINC001233336657 1039138466 /nfs/dbraw/zinc/13/84/66/1039138466.db2.gz VBMGQLNKNFZEKG-ZDUSSCGKSA-N -1 1 396.356 3.654 20 10 GHCDMM CCCC(=O)c1cc(O)c(O)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001233494245 1039386964 /nfs/dbraw/zinc/38/69/64/1039386964.db2.gz AXKRXBWJICENFQ-GOSISDBHSA-N -1 1 399.487 3.751 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C ZINC001233496125 1039389544 /nfs/dbraw/zinc/38/95/44/1039389544.db2.gz QLTGPXZHWSSVCS-BBEJJTJUSA-N -1 1 391.464 4.000 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001233496333 1039390064 /nfs/dbraw/zinc/39/00/64/1039390064.db2.gz FAMALXBGIKALPX-JTQLQIEISA-N -1 1 389.360 3.858 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001234473328 1040057363 /nfs/dbraw/zinc/05/73/63/1040057363.db2.gz DBAUHSMNNFPZBG-SJCJKPOMSA-N -1 1 379.453 3.715 20 10 GHCDMM O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277992538 1041799773 /nfs/dbraw/zinc/79/97/73/1041799773.db2.gz JPLDYJWNALUIEB-OAHLLOKOSA-N -1 1 397.224 3.828 20 10 GHCDMM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@]2(F)C1=O ZINC001277992984 1041800532 /nfs/dbraw/zinc/80/05/32/1041800532.db2.gz QQHAITVIQLLFNC-GPNNCHTKSA-N -1 1 393.261 3.572 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCn2ncc(Br)c2C1 ZINC001236805224 1041906563 /nfs/dbraw/zinc/90/65/63/1041906563.db2.gz XSEIMMVIJFSNRR-UHFFFAOYSA-N -1 1 377.069 3.674 20 10 GHCDMM Cc1cccc(C(=O)N2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)c1 ZINC001237083078 1042028069 /nfs/dbraw/zinc/02/80/69/1042028069.db2.gz YGCCNCYAWSUAII-UHFFFAOYSA-N -1 1 379.287 3.965 20 10 GHCDMM COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237086583 1042029612 /nfs/dbraw/zinc/02/96/12/1042029612.db2.gz MNCGXPMSOJEHKJ-ROUUACIJSA-N -1 1 396.270 3.814 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCCn2cnc(COCC3CC3)c2C1 ZINC001237126042 1042054546 /nfs/dbraw/zinc/05/45/46/1042054546.db2.gz ZPILQAZSHYWHDR-UHFFFAOYSA-N -1 1 379.863 3.714 20 10 GHCDMM COc1ccc2c(c1)CCN(Cc1cccc(I)c1[O-])C2 ZINC001237778182 1042364884 /nfs/dbraw/zinc/36/48/84/1042364884.db2.gz TVZZSCPHQFWZGC-UHFFFAOYSA-N -1 1 395.240 3.564 20 10 GHCDMM C[C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@]1(C)O ZINC001237783474 1042367341 /nfs/dbraw/zinc/36/73/41/1042367341.db2.gz INRXZDQWUPHUJP-OTYXRUKQSA-N -1 1 382.220 3.766 20 10 GHCDMM C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001237784920 1042368695 /nfs/dbraw/zinc/36/86/95/1042368695.db2.gz ZIRDZYOHGKHYJH-YMTOWFKASA-N -1 1 382.220 3.766 20 10 GHCDMM CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])C2)c1 ZINC001237939718 1042430080 /nfs/dbraw/zinc/43/00/80/1042430080.db2.gz FJVUNYFWURWJJC-CQSZACIVSA-N -1 1 397.899 3.968 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1F ZINC001237948347 1042434628 /nfs/dbraw/zinc/43/46/28/1042434628.db2.gz CVPHSOWTWHWPAX-UONOGXRCSA-N -1 1 376.831 3.622 20 10 GHCDMM O=C(c1ccc(Br)cc1)c1ccccc1[N-]S(=O)(=O)C1CC1 ZINC001259275268 1045057239 /nfs/dbraw/zinc/05/72/39/1045057239.db2.gz CJCWKZSSUNTQQE-UHFFFAOYSA-N -1 1 380.263 3.584 20 10 GHCDMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cc2)c1 ZINC001260182790 1045404296 /nfs/dbraw/zinc/40/42/96/1045404296.db2.gz OVBVRBLOINQEKT-UHFFFAOYSA-N -1 1 399.399 3.556 20 10 GHCDMM O=S(=O)([N-]c1ccc(C(F)(F)F)c(F)c1F)c1cccc2nsnc21 ZINC001260388450 1045486384 /nfs/dbraw/zinc/48/63/84/1045486384.db2.gz KGLASFIDKUHPNE-UHFFFAOYSA-N -1 1 395.334 3.789 20 10 GHCDMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1F)c1cccc2nsnc21 ZINC001260388184 1045486466 /nfs/dbraw/zinc/48/64/66/1045486466.db2.gz YMIUQGACTSBRBI-UHFFFAOYSA-N -1 1 393.343 3.530 20 10 GHCDMM CC1(C)Cc2cccc(C(=O)NCc3cccc(Br)c3[O-])c2O1 ZINC001297441319 1045524161 /nfs/dbraw/zinc/52/41/61/1045524161.db2.gz SYMSYMAUYNXYPO-UHFFFAOYSA-N -1 1 376.250 3.798 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CNc1cnc2n[nH]cc2c1 ZINC001308539417 1050002829 /nfs/dbraw/zinc/00/28/29/1050002829.db2.gz MFQIWRDOYYGJHV-UHFFFAOYSA-N -1 1 398.058 3.801 20 10 GHCDMM O=C(COC(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1)c1ccc([O-])c(O)c1 ZINC001321035891 1056065963 /nfs/dbraw/zinc/06/59/63/1056065963.db2.gz KQCRNEXXIDYIDB-UHFFFAOYSA-N -1 1 395.289 3.517 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cc([N+](=O)[O-])ccc1Br ZINC001327167552 1057612923 /nfs/dbraw/zinc/61/29/23/1057612923.db2.gz RBXYIARJAYUOFN-UHFFFAOYSA-N -1 1 397.572 3.799 20 10 GHCDMM CC[C@H]1CCCc2sc(NC(=O)C(=O)NCc3cccc(Cl)c3[O-])nc21 ZINC001337951538 1058341128 /nfs/dbraw/zinc/34/11/28/1058341128.db2.gz OCHSQFXXKCJEML-JTQLQIEISA-N -1 1 393.896 3.587 20 10 GHCDMM COc1ccc([C@H](OC)[C@H](C)NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001469566820 1068229250 /nfs/dbraw/zinc/22/92/50/1068229250.db2.gz SMXGDDGYOXUIEO-KPZWWZAWSA-N -1 1 378.856 3.630 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H](OC1CCCC1)C(F)(F)F ZINC001470745090 1072717524 /nfs/dbraw/zinc/71/75/24/1072717524.db2.gz PMSPVNALVRYHDD-ZDUSSCGKSA-N -1 1 380.794 3.735 20 10 GHCDMM CC(C)(C)c1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC001475265233 1074811312 /nfs/dbraw/zinc/81/13/12/1074811312.db2.gz AWAHNCAWCRRQQM-UHFFFAOYSA-N -1 1 398.322 3.931 20 10 GHCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000737471433 599853475 /nfs/dbraw/zinc/85/34/75/599853475.db2.gz YTXXVZVOVNTZSP-UHFFFAOYSA-N -1 1 391.423 3.659 20 10 GHCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000738347174 600055835 /nfs/dbraw/zinc/05/58/35/600055835.db2.gz DAHZQFFHDSJJLV-UHFFFAOYSA-N -1 1 392.433 3.757 20 10 GHCDMM O=C([O-])c1ccc2c(=O)[nH]c(CN(Cc3ccccc3O)C3CCCC3)nc2c1 ZINC000740190785 600148868 /nfs/dbraw/zinc/14/88/68/600148868.db2.gz SKHGRFQGRHTKIR-UHFFFAOYSA-N -1 1 393.443 3.684 20 10 GHCDMM COCOc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001211642020 837450480 /nfs/dbraw/zinc/45/04/80/837450480.db2.gz MNUPCEFYFFSOMJ-UHFFFAOYSA-N -1 1 375.380 3.894 20 10 GHCDMM COc1ccccc1N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000892515626 837089697 /nfs/dbraw/zinc/08/96/97/837089697.db2.gz VADRLSGIUQBRCH-UHFFFAOYSA-N -1 1 389.883 3.522 20 10 GHCDMM CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(Br)cc(F)c1[O-] ZINC000894061747 844451388 /nfs/dbraw/zinc/45/13/88/844451388.db2.gz JSKBOSAXNVEIOK-QFIPXVFZSA-N -1 1 386.286 3.663 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1sccc1-n1cccc1 ZINC000765771227 857706360 /nfs/dbraw/zinc/70/63/60/857706360.db2.gz WDOWIZNMCOMHOH-UHFFFAOYSA-N -1 1 377.263 3.937 20 10 GHCDMM O=C(CNc1ccc(-c2ccc(C(F)(F)F)cc2)nn1)c1ccc([O-])c(O)c1 ZINC001170315844 881346273 /nfs/dbraw/zinc/34/62/73/881346273.db2.gz HTCKSMCQDHOOQR-UHFFFAOYSA-N -1 1 389.333 3.868 20 10 GHCDMM Cc1ccc2c(c1)[C@H](NC(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000764781661 859601971 /nfs/dbraw/zinc/60/19/71/859601971.db2.gz XJXPYSRUNMMLQW-MRXNPFEDSA-N -1 1 375.266 3.950 20 10 GHCDMM CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764777130 859607761 /nfs/dbraw/zinc/60/77/61/859607761.db2.gz BXAZNUGJASBQKQ-OAHLLOKOSA-N -1 1 377.282 3.975 20 10 GHCDMM O=C(NCCOc1ccccc1Cl)NCc1cccc(Br)c1[O-] ZINC000764801234 859613665 /nfs/dbraw/zinc/61/36/65/859613665.db2.gz RTVKDJHJJKKDAP-UHFFFAOYSA-N -1 1 399.672 3.686 20 10 GHCDMM CSCCCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764808512 859623886 /nfs/dbraw/zinc/62/38/86/859623886.db2.gz YBSJAISYKLNUAZ-UHFFFAOYSA-N -1 1 375.332 3.877 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCC2(CCCCC2)O1 ZINC000764809209 859624770 /nfs/dbraw/zinc/62/47/70/859624770.db2.gz XBDYSNHGSAKOMC-CQSZACIVSA-N -1 1 397.313 3.836 20 10 GHCDMM C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765727860 860484987 /nfs/dbraw/zinc/48/49/87/860484987.db2.gz PZRJUCZZRQIBBN-JTQLQIEISA-N -1 1 384.657 3.892 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)cc2cccnc21 ZINC000765752494 860569693 /nfs/dbraw/zinc/56/96/93/860569693.db2.gz WZNNSXIRZMOBJA-UHFFFAOYSA-N -1 1 375.197 3.772 20 10 GHCDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000743046687 867781342 /nfs/dbraw/zinc/78/13/42/867781342.db2.gz KNQKVJXTVQXOSN-UHFFFAOYSA-N -1 1 394.880 3.528 20 10 GHCDMM CSc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1Cl ZINC000766357361 870637621 /nfs/dbraw/zinc/63/76/21/870637621.db2.gz KMANEVYZLJXPCO-UHFFFAOYSA-N -1 1 398.937 3.699 20 10 GHCDMM Cc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)s1 ZINC000775666384 872533768 /nfs/dbraw/zinc/53/37/68/872533768.db2.gz XFICTUUJZFPCMW-UHFFFAOYSA-N -1 1 382.888 3.949 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1[O-] ZINC000858014690 882722682 /nfs/dbraw/zinc/72/26/82/882722682.db2.gz OJDLRHVVCJZNBH-INIZCTEOSA-N -1 1 389.839 3.880 20 10 GHCDMM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1O)c1c(F)cc(F)cc1F ZINC000805135307 883616949 /nfs/dbraw/zinc/61/69/49/883616949.db2.gz ISZZVPXCNJWWBO-UHFFFAOYSA-N -1 1 386.178 3.595 20 10 GHCDMM CCN(CC)CC(=O)Nc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000806181668 884424294 /nfs/dbraw/zinc/42/42/94/884424294.db2.gz GSCUWVSIWIVLGN-CQSZACIVSA-N -1 1 386.452 3.754 20 10 GHCDMM CC(C)(Cc1ccccc1C(F)(F)F)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001183956922 912924150 /nfs/dbraw/zinc/92/41/50/912924150.db2.gz XRTSZYKXMOUHJX-UHFFFAOYSA-N -1 1 395.377 3.684 20 10 GHCDMM O=C1NCCCN1c1cc(NCc2cccc(Br)c2[O-])ccc1F ZINC000808427892 886315328 /nfs/dbraw/zinc/31/53/28/886315328.db2.gz KCKFRNPXOPRJLS-UHFFFAOYSA-N -1 1 394.244 3.826 20 10 GHCDMM O=S(=O)(NCc1ccco1)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000809651254 887656433 /nfs/dbraw/zinc/65/64/33/887656433.db2.gz HKHQNROFTADSCS-UHFFFAOYSA-N -1 1 392.864 3.729 20 10 GHCDMM O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc([O-])c(O)c1 ZINC000916590239 889150907 /nfs/dbraw/zinc/15/09/07/889150907.db2.gz POVQUSKZLHJIME-UHFFFAOYSA-N -1 1 376.364 3.762 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccccc1-c1ccccc1 ZINC000917760729 892489365 /nfs/dbraw/zinc/48/93/65/892489365.db2.gz IXTVBFHRFMHUMD-UHFFFAOYSA-N -1 1 394.496 3.991 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1OC ZINC000125520547 892726641 /nfs/dbraw/zinc/72/66/41/892726641.db2.gz RYNLGVARRKNPSU-UHFFFAOYSA-N -1 1 390.505 3.741 20 10 GHCDMM O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2cccc(F)c2[O-])N1 ZINC000778525262 896169578 /nfs/dbraw/zinc/16/95/78/896169578.db2.gz LDCXBJDLQXCMHB-HSZRJFAPSA-N -1 1 392.430 3.741 20 10 GHCDMM CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000801548545 921119907 /nfs/dbraw/zinc/11/99/07/921119907.db2.gz WZMAZBAXHNDNAE-UHFFFAOYSA-N -1 1 389.521 3.680 20 10 GHCDMM CNc1ncc2cc(Nc3cc4c(cc3[O-])C(=O)c3ccccc3C4=O)ccc2n1 ZINC001174535533 907076078 /nfs/dbraw/zinc/07/60/78/907076078.db2.gz WANAXHZJQUETAQ-UHFFFAOYSA-N -1 1 396.406 3.896 20 10 GHCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])nnn1-c1cccc(Cl)c1 ZINC001180410878 910151978 /nfs/dbraw/zinc/15/19/78/910151978.db2.gz UGYRJUJBELMQNI-UHFFFAOYSA-N -1 1 377.231 3.518 20 10 GHCDMM O=C(CCSc1ccc2ccccc2c1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182159093 911215484 /nfs/dbraw/zinc/21/54/84/911215484.db2.gz MCKGHDAIBOZNPI-UHFFFAOYSA-N -1 1 381.453 3.732 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@H](c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000775071319 914961097 /nfs/dbraw/zinc/96/10/97/914961097.db2.gz PFFBGXPGBGVJBQ-INIZCTEOSA-N -1 1 378.812 3.536 20 10 GHCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c(C)c(C)c1O ZINC000775291974 916834932 /nfs/dbraw/zinc/83/49/32/916834932.db2.gz TVMGYDXGHMFYEY-UHFFFAOYSA-N -1 1 383.853 3.778 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000750037761 927399744 /nfs/dbraw/zinc/39/97/44/927399744.db2.gz BPCXSZUSTTVZKY-UHFFFAOYSA-N -1 1 382.888 3.691 20 10 GHCDMM Cc1ccc(-c2ncc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)s2)c(C)c1 ZINC000783302700 931514937 /nfs/dbraw/zinc/51/49/37/931514937.db2.gz XZFQJGHQMRLXBA-UHFFFAOYSA-N -1 1 383.425 3.878 20 10 GHCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000783412137 931541254 /nfs/dbraw/zinc/54/12/54/931541254.db2.gz WPIVIPXYLMTXBO-UHFFFAOYSA-N -1 1 382.334 3.820 20 10 GHCDMM CC(C)COc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783561736 931582391 /nfs/dbraw/zinc/58/23/91/931582391.db2.gz SIAKSFUDSIODCK-UHFFFAOYSA-N -1 1 386.444 3.836 20 10 GHCDMM CN(C)c1ccc(CN2CCc3ccccc3[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001598318260 991312595 /nfs/dbraw/zinc/31/25/95/991312595.db2.gz SXZLNPHEKZOWBZ-SFHVURJKSA-N -1 1 378.394 3.955 20 10 GHCDMM COc1cccc(Cl)c1CNCc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001599677074 994915968 /nfs/dbraw/zinc/91/59/68/994915968.db2.gz RNHQMRRYTBPRDT-UHFFFAOYSA-N -1 1 376.815 3.967 20 10 GHCDMM O=C(Nc1c(Cl)ccc2ncccc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227635 1032464280 /nfs/dbraw/zinc/46/42/80/1032464280.db2.gz CXPGGDZVEARHGF-UHFFFAOYSA-N -1 1 382.759 3.658 20 10 GHCDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228114503 1032790500 /nfs/dbraw/zinc/79/05/00/1032790500.db2.gz HWYJNDKNHASMEH-LBPRGKRZSA-N -1 1 388.416 3.534 20 10 GHCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC3CC(F)(F)C3)c21 ZINC001228193939 1032834351 /nfs/dbraw/zinc/83/43/51/1032834351.db2.gz NUPHLSSRNUTDCY-HNNXBMFYSA-N -1 1 378.327 3.686 20 10 GHCDMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)cc3[O-])cc2F)C[C@H](C)O1 ZINC001626157663 1021294053 /nfs/dbraw/zinc/29/40/53/1021294053.db2.gz GNENMZCUPOWFJF-BETUJISGSA-N -1 1 392.858 3.728 20 10 GHCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000756648842 1023753666 /nfs/dbraw/zinc/75/36/66/1023753666.db2.gz LKXLHTYMUVMJNA-KBPBESRZSA-N -1 1 381.432 3.564 20 10 GHCDMM C[C@@H](NCc1cn(-c2ccccc2)nn1)c1cc(Br)cc(F)c1[O-] ZINC000756743760 1023796139 /nfs/dbraw/zinc/79/61/39/1023796139.db2.gz VSXRXYBKZPYEQG-LLVKDONJSA-N -1 1 391.244 3.725 20 10 GHCDMM COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1OCC(=O)NC1CC1 ZINC000756802410 1023819197 /nfs/dbraw/zinc/81/91/97/1023819197.db2.gz BYQPCPYEKPDTGT-NSHDSACASA-N -1 1 392.402 3.510 20 10 GHCDMM CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141373210 1024762820 /nfs/dbraw/zinc/76/28/20/1024762820.db2.gz RWRNXYODEAFEJL-JTQLQIEISA-N -1 1 390.705 3.972 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001203575423 1027444975 /nfs/dbraw/zinc/44/49/75/1027444975.db2.gz NQGNPWTVTSNQID-GJYPPUQNSA-N -1 1 395.286 3.905 20 10 GHCDMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Br)ccc2N)ccc1O ZINC001215846141 1029419200 /nfs/dbraw/zinc/41/92/00/1029419200.db2.gz OHJWOBHKRPWVPY-UHFFFAOYSA-N -1 1 385.283 3.661 20 10 GHCDMM COc1cnc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c(Br)c1 ZINC001216953956 1030026256 /nfs/dbraw/zinc/02/62/56/1030026256.db2.gz KYHUHVDWJCVZCH-UHFFFAOYSA-N -1 1 398.600 3.634 20 10 GHCDMM COc1ncc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cc1Br ZINC001216954286 1030027458 /nfs/dbraw/zinc/02/74/58/1030027458.db2.gz VFARMHPIAQDHMO-UHFFFAOYSA-N -1 1 398.600 3.634 20 10 GHCDMM O=C1N(CCC(F)(F)F)CC[C@@]12CCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277509121 1034536938 /nfs/dbraw/zinc/53/69/38/1034536938.db2.gz AVTKDKHVRSFNEL-INIZCTEOSA-N -1 1 394.796 3.704 20 10 GHCDMM Cc1ccc(O[C@H]2CCN(Cc3c([O-])cc(Br)cc3F)C2)nc1 ZINC001233031348 1038786265 /nfs/dbraw/zinc/78/62/65/1038786265.db2.gz AABZKDDQUZXTBZ-ZDUSSCGKSA-N -1 1 381.245 3.651 20 10 GHCDMM Cn1cnc2c1[C@@H](COCC1CCCC1)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233332919 1039130782 /nfs/dbraw/zinc/13/07/82/1039130782.db2.gz BZAZZIBQCAFUGR-OAHLLOKOSA-N -1 1 391.462 3.710 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C[C@@H]1F ZINC001233418393 1039279907 /nfs/dbraw/zinc/27/99/07/1039279907.db2.gz FNTYCGWRHVDLJM-UONOGXRCSA-N -1 1 392.393 3.848 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419201 1039280808 /nfs/dbraw/zinc/28/08/08/1039280808.db2.gz NEFKAVLCGRBKGB-KBPBESRZSA-N -1 1 386.414 3.995 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001233495048 1039387650 /nfs/dbraw/zinc/38/76/50/1039387650.db2.gz KPICYFJVRDVMJZ-OLZOCXBDSA-N -1 1 379.453 3.857 20 10 GHCDMM O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277831170 1039831411 /nfs/dbraw/zinc/83/14/11/1039831411.db2.gz WHTCGBXAGSOKGT-OAHLLOKOSA-N -1 1 397.224 3.828 20 10 GHCDMM CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCOc1cc([O-])c(O)cc1C(C)=O ZINC001234476188 1040059006 /nfs/dbraw/zinc/05/90/06/1040059006.db2.gz LPLLWXZQFKEBDF-DZGCQCFKSA-N -1 1 379.453 3.859 20 10 GHCDMM CN(C)c1ccc(CN(C(=O)NCCc2c(F)cc([O-])cc2F)C2CC2)cc1 ZINC001255798547 1041307192 /nfs/dbraw/zinc/30/71/92/1041307192.db2.gz PHBNQBBBWAFPFB-UHFFFAOYSA-N -1 1 389.446 3.653 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2[C@H](CO)CCC[C@H]2C(F)(F)F)c1 ZINC001236662552 1041810095 /nfs/dbraw/zinc/81/00/95/1041810095.db2.gz FJIWJRKZTGWPHM-AAEUAGOBSA-N -1 1 382.220 3.741 20 10 GHCDMM O=C(c1cccc(F)c1)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237080952 1042026989 /nfs/dbraw/zinc/02/69/89/1042026989.db2.gz IIBNGKPSRUFRSJ-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 ZINC001237701198 1042331735 /nfs/dbraw/zinc/33/17/35/1042331735.db2.gz NOMYMFVNPKWSHN-UHFFFAOYSA-N -1 1 386.860 3.954 20 10 GHCDMM [O-]c1c(I)cccc1C[N@H+]1CCCc2ccccc2C1 ZINC001237780605 1042365687 /nfs/dbraw/zinc/36/56/87/1042365687.db2.gz PSEJCNULAVEVPY-UHFFFAOYSA-N -1 1 379.241 3.945 20 10 GHCDMM CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccc(N)cc3)c2o1 ZINC001238367836 1042572153 /nfs/dbraw/zinc/57/21/53/1042572153.db2.gz KWWVOLXCPNYBTO-UHFFFAOYSA-N -1 1 393.896 3.839 20 10 GHCDMM O=C1c2cccc(O)c2C(=O)c2c([O-])cc(-c3nnc(CC4CCCC4)o3)cc21 ZINC001258617032 1044670785 /nfs/dbraw/zinc/67/07/85/1044670785.db2.gz BUETXSLHGSNGQU-UHFFFAOYSA-N -1 1 390.395 3.656 20 10 GHCDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)cc1 ZINC001259407397 1045128669 /nfs/dbraw/zinc/12/86/69/1045128669.db2.gz WQZZCWDMMDDNRV-UHFFFAOYSA-N -1 1 375.368 3.999 20 10 GHCDMM O=C(CCC(=O)c1c(F)cccc1F)NCc1cccc(Br)c1[O-] ZINC001297440806 1045524772 /nfs/dbraw/zinc/52/47/72/1045524772.db2.gz QTPRSXDDJDCOCK-UHFFFAOYSA-N -1 1 398.203 3.712 20 10 GHCDMM O=S(=O)([N-]c1cc(F)c(Cl)cc1F)c1ccc(Cl)c2nonc21 ZINC001261072959 1045887817 /nfs/dbraw/zinc/88/78/17/1045887817.db2.gz JVGRSFJDEQAGOM-UHFFFAOYSA-N -1 1 380.159 3.609 20 10 GHCDMM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073039 1045888130 /nfs/dbraw/zinc/88/81/30/1045888130.db2.gz NYYCGVXUBFEQCD-UHFFFAOYSA-N -1 1 376.196 3.778 20 10 GHCDMM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001279664036 1047903910 /nfs/dbraw/zinc/90/39/10/1047903910.db2.gz OSXMKCIVEJRURD-OAHLLOKOSA-N -1 1 393.314 3.866 20 10 GHCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001306845306 1048925542 /nfs/dbraw/zinc/92/55/42/1048925542.db2.gz FVLCDHINRINNNX-LLVKDONJSA-N -1 1 380.213 3.629 20 10 GHCDMM CCN(CC)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1F ZINC001331934272 1051416551 /nfs/dbraw/zinc/41/65/51/1051416551.db2.gz NDQHMHLZONEQDP-KGLIPLIRSA-N -1 1 376.394 3.757 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCC2(CCOCC2)CC1 ZINC001320916542 1056014763 /nfs/dbraw/zinc/01/47/63/1056014763.db2.gz XOUAWZMARNERLR-UHFFFAOYSA-N -1 1 397.313 3.693 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001346970991 1062019030 /nfs/dbraw/zinc/01/90/30/1062019030.db2.gz NMTMOJUPKSBEFV-OXJNMPFZSA-N -1 1 388.851 3.528 20 10 GHCDMM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([O-])cc1F ZINC001464696917 1065162093 /nfs/dbraw/zinc/16/20/93/1065162093.db2.gz QDMAPIOTMFKKBF-UHFFFAOYSA-N -1 1 380.366 3.532 20 10 GHCDMM O=C(Cn1c2ccccc2nc1C(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC001472316020 1073416694 /nfs/dbraw/zinc/41/66/94/1073416694.db2.gz IXIFIAUVDBWZGI-UHFFFAOYSA-N -1 1 383.757 3.731 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnn2c1nccc2-c1ccccc1 ZINC001472316363 1073417019 /nfs/dbraw/zinc/41/70/19/1073417019.db2.gz OKFZJRJVUFUTEW-UHFFFAOYSA-N -1 1 378.819 3.685 20 10 GHCDMM CN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@@H]1c1cccc(Cl)c1 ZINC001472316888 1073417947 /nfs/dbraw/zinc/41/79/47/1073417947.db2.gz LCAJXCPFUYBJKA-YOEHRIQHSA-N -1 1 393.270 3.535 20 10 GHCDMM CCCCOc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC001472491779 1073510781 /nfs/dbraw/zinc/51/07/81/1073510781.db2.gz WSSYTCIZJZJRDW-GFCCVEGCSA-N -1 1 377.412 3.915 20 10 GHCDMM CCOC(=O)[C@]1(F)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC12CCC2 ZINC001473634415 1074059857 /nfs/dbraw/zinc/05/98/57/1074059857.db2.gz KQBGWZHSDYRURA-LJQANCHMSA-N -1 1 383.847 3.506 20 10 GHCDMM COc1ccc(Cn2cc(CNCc3cc(Cl)cc(Cl)c3[O-])nn2)cc1 ZINC001474564621 1074465244 /nfs/dbraw/zinc/46/52/44/1074465244.db2.gz KXPWBGAHAUEZGO-UHFFFAOYSA-N -1 1 393.274 3.637 20 10 GHCDMM Cc1cc(O)c(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cc1Cl ZINC001474588636 1074473419 /nfs/dbraw/zinc/47/34/19/1074473419.db2.gz NOMSKWWCMAJFNN-CQSZACIVSA-N -1 1 398.812 3.964 20 10 GHCDMM O=C([O-])C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-] ZINC000833249197 604789820 /nfs/dbraw/zinc/78/98/20/604789820.db2.gz KSKICVFAGDMYJA-UHFFFAOYSA-N -1 1 385.203 3.694 20 10 GHCDMM O=C([O-])C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-] ZINC000833249197 604789823 /nfs/dbraw/zinc/78/98/23/604789823.db2.gz KSKICVFAGDMYJA-UHFFFAOYSA-N -1 1 385.203 3.694 20 10 GHCDMM C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694598 605247551 /nfs/dbraw/zinc/24/75/51/605247551.db2.gz OOOLASOTXQUPGJ-CQSZACIVSA-N -1 1 377.721 3.860 20 10 GHCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OCCC(C)C)c1 ZINC000784930783 835005176 /nfs/dbraw/zinc/00/51/76/835005176.db2.gz GOWBXYFQSQSOJQ-UHFFFAOYSA-N -1 1 388.416 3.571 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccc(N2CCOC2=O)c1 ZINC000892358954 835057600 /nfs/dbraw/zinc/05/76/00/835057600.db2.gz ICEIUHBCMYCAPA-LBPRGKRZSA-N -1 1 389.839 3.563 20 10 GHCDMM Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782599569 835984379 /nfs/dbraw/zinc/98/43/79/835984379.db2.gz SXIIKLCDTBWUGU-UHFFFAOYSA-N -1 1 387.388 3.709 20 10 GHCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000013464001 838818414 /nfs/dbraw/zinc/81/84/14/838818414.db2.gz DKFCTJNJZJWAHS-UHFFFAOYSA-N -1 1 395.742 3.563 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1c(Cl)cccc1Br ZINC000312928437 840925859 /nfs/dbraw/zinc/92/58/59/840925859.db2.gz XOZNSVXTCSTKNJ-UHFFFAOYSA-N -1 1 380.622 3.748 20 10 GHCDMM CCN(CC)C(=O)c1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000891822638 843246458 /nfs/dbraw/zinc/24/64/58/843246458.db2.gz PVPDQLXOUVZMTH-UHFFFAOYSA-N -1 1 389.883 3.527 20 10 GHCDMM CC(C)c1csc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277596306 847234309 /nfs/dbraw/zinc/23/43/09/847234309.db2.gz USRXEWVANFQWCT-UHFFFAOYSA-N -1 1 384.299 3.734 20 10 GHCDMM O=C(CNc1cc2c(c(OCc3ccccc3)c1)OCO2)c1ccc([O-])c(O)c1 ZINC001170322682 881358099 /nfs/dbraw/zinc/35/80/99/881358099.db2.gz LUPZPBXRUOHIEK-UHFFFAOYSA-N -1 1 393.395 3.700 20 10 GHCDMM CC(=O)c1c(C)oc2ncnc(NCc3cccc(Br)c3[O-])c21 ZINC000765981927 859580470 /nfs/dbraw/zinc/58/04/70/859580470.db2.gz MNJQBQIEYPNUNP-UHFFFAOYSA-N -1 1 376.210 3.814 20 10 GHCDMM COc1ccc(F)cc1[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764764322 859600297 /nfs/dbraw/zinc/60/02/97/859600297.db2.gz OGCZHIMABKDDAJ-JTQLQIEISA-N -1 1 397.244 3.863 20 10 GHCDMM Cc1cccc2c1OCC[C@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000764807360 859617991 /nfs/dbraw/zinc/61/79/91/859617991.db2.gz SCTVJKGKOUEMIJ-OAHLLOKOSA-N -1 1 391.265 3.786 20 10 GHCDMM Cc1cc(N(C)C)ccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765233881 859848648 /nfs/dbraw/zinc/84/86/48/859848648.db2.gz IODBQZINYGLODA-UHFFFAOYSA-N -1 1 378.270 3.851 20 10 GHCDMM CCCCn1ncc(NC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765316943 859902515 /nfs/dbraw/zinc/90/25/15/859902515.db2.gz RRYODXMJSNYKFQ-UHFFFAOYSA-N -1 1 381.274 3.781 20 10 GHCDMM COc1cccc2c1CC[C@@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000765538587 860111931 /nfs/dbraw/zinc/11/19/31/860111931.db2.gz ZNNRECWCBBCVEF-HNNXBMFYSA-N -1 1 391.265 3.650 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccn1Cc1ccccc1 ZINC000765748060 860560338 /nfs/dbraw/zinc/56/03/38/860560338.db2.gz UTPTVSHUHMQJCB-UHFFFAOYSA-N -1 1 385.261 3.935 20 10 GHCDMM COc1ccccc1/C(C)=C\C(=O)NCc1cccc(Br)c1[O-] ZINC000765750184 860563387 /nfs/dbraw/zinc/56/33/87/860563387.db2.gz AHVFHZXUKOHTIJ-BENRWUELSA-N -1 1 376.250 3.883 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc(-c3ccccc3)no2)c1)c1cccs1 ZINC000184825645 864970512 /nfs/dbraw/zinc/97/05/12/864970512.db2.gz UBEXLIDKDMBMGF-UHFFFAOYSA-N -1 1 399.453 3.972 20 10 GHCDMM COC1(CNC(=O)NCc2cccc(Br)c2[O-])CCC(C)CC1 ZINC000793212067 882037491 /nfs/dbraw/zinc/03/74/91/882037491.db2.gz FAEOWBTVZXBVEX-UHFFFAOYSA-N -1 1 385.302 3.549 20 10 GHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(F)c(Br)c1 ZINC000743248833 868014501 /nfs/dbraw/zinc/01/45/01/868014501.db2.gz QCLYUUJOXVCMTA-UHFFFAOYSA-N -1 1 399.285 3.989 20 10 GHCDMM CCO[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775633886 872150832 /nfs/dbraw/zinc/15/08/32/872150832.db2.gz MSAXSCKSWIMQJP-GFCCVEGCSA-N -1 1 393.119 3.918 20 10 GHCDMM Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3cc([O-])cnc3Cl)cc2)cc1 ZINC001195305264 872326112 /nfs/dbraw/zinc/32/61/12/872326112.db2.gz CXVMDPFLMNYXMU-UHFFFAOYSA-N -1 1 397.822 3.919 20 10 GHCDMM Cc1c(Br)cccc1S(=O)(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001196551101 873205226 /nfs/dbraw/zinc/20/52/26/873205226.db2.gz IWCBAPDLBQQUTJ-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N=Nc3ccccc3)cc2)ccn1 ZINC001197155393 873627796 /nfs/dbraw/zinc/62/77/96/873627796.db2.gz YKFIOHCDTYPNCZ-QURGRASLSA-N -1 1 396.428 3.506 20 10 GHCDMM C[C@H](NCc1ncnn1-c1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000786936609 877066039 /nfs/dbraw/zinc/06/60/39/877066039.db2.gz GMBTXTDAOWSUJM-NSHDSACASA-N -1 1 391.244 3.725 20 10 GHCDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)nc1 ZINC000093534458 912325935 /nfs/dbraw/zinc/32/59/35/912325935.db2.gz XDUSJUUTKYTMNY-LBPRGKRZSA-N -1 1 383.235 3.689 20 10 GHCDMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789964129 879368373 /nfs/dbraw/zinc/36/83/73/879368373.db2.gz YIXYTXWHZHHNSL-UHFFFAOYSA-N -1 1 383.423 3.620 20 10 GHCDMM CCOc1ccccc1Oc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cn1 ZINC000790068862 879413581 /nfs/dbraw/zinc/41/35/81/879413581.db2.gz GORVDEYPBXBVIP-UHFFFAOYSA-N -1 1 398.390 3.753 20 10 GHCDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1OCC ZINC000111995504 879607641 /nfs/dbraw/zinc/60/76/41/879607641.db2.gz BFPJNYBDAQCDLF-UHFFFAOYSA-N -1 1 390.505 3.885 20 10 GHCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165549 886902014 /nfs/dbraw/zinc/90/20/14/886902014.db2.gz FHEFWYQVTYGCKA-UHFFFAOYSA-N -1 1 382.489 3.550 20 10 GHCDMM CC(C)N(CC(=O)N1CCCCCC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809714819 887737307 /nfs/dbraw/zinc/73/73/07/887737307.db2.gz SFPLKEHWVNICJZ-UHFFFAOYSA-N -1 1 383.876 3.567 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1c(Br)cnn1C1CC1 ZINC000934364785 893575190 /nfs/dbraw/zinc/57/51/90/893575190.db2.gz MJCKDRXASIVVCS-UHFFFAOYSA-N -1 1 385.649 3.661 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)c1[O-] ZINC000748049537 894566151 /nfs/dbraw/zinc/56/61/51/894566151.db2.gz GZIDKVPRBRAPBM-SFHVURJKSA-N -1 1 390.842 3.625 20 10 GHCDMM Cc1ccc(C(=O)N2CCOCC2)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816523714 894921956 /nfs/dbraw/zinc/92/19/56/894921956.db2.gz BLOAMNVGNWDTKT-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM COc1cc(OC)cc([C@@H](N[C@H](C)c2c([O-])cccc2F)c2nccn2C)c1 ZINC000886498810 901081209 /nfs/dbraw/zinc/08/12/09/901081209.db2.gz QRCBJFFJHOMVOU-ZUOKHONESA-N -1 1 385.439 3.722 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000773316118 904703761 /nfs/dbraw/zinc/70/37/61/904703761.db2.gz SOJUTNTVSSPQNK-QGZVFWFLSA-N -1 1 394.475 3.819 20 10 GHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(N4CCCC4)nc3)c([O-])cc21 ZINC001175352135 907512766 /nfs/dbraw/zinc/51/27/66/907512766.db2.gz RQVQPUHBTYITIM-UHFFFAOYSA-N -1 1 385.423 3.906 20 10 GHCDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(C)n1-c1cccc(C)c1 ZINC000773494789 907530947 /nfs/dbraw/zinc/53/09/47/907530947.db2.gz ADTIWGXTALAVDN-UHFFFAOYSA-N -1 1 380.448 3.511 20 10 GHCDMM COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001181072584 910544957 /nfs/dbraw/zinc/54/49/57/910544957.db2.gz IXYAOOMSKRLSHY-UHFFFAOYSA-N -1 1 389.320 3.864 20 10 GHCDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)ccc1C ZINC000795557528 911138020 /nfs/dbraw/zinc/13/80/20/911138020.db2.gz IYTPLCUPGBDTCZ-UHFFFAOYSA-N -1 1 388.489 3.573 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(Br)cc1Cl ZINC001187348903 915212743 /nfs/dbraw/zinc/21/27/43/915212743.db2.gz GPCHKTKLVSRHLM-UHFFFAOYSA-N -1 1 399.628 3.518 20 10 GHCDMM Cc1c(N[C@H](C)c2cc(F)cc(F)c2[O-])cccc1N1C(=O)CCNC1=O ZINC000800498746 920191688 /nfs/dbraw/zinc/19/16/88/920191688.db2.gz CFQRKJPHFDWLPL-LLVKDONJSA-N -1 1 375.375 3.598 20 10 GHCDMM C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000903341687 922942651 /nfs/dbraw/zinc/94/26/51/922942651.db2.gz QPYJAUWLUQFEOJ-SSDOTTSWSA-N -1 1 396.182 3.897 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000827131158 924885735 /nfs/dbraw/zinc/88/57/35/924885735.db2.gz JHBUMGIMFXCVGT-MRVPVSSYSA-N -1 1 390.358 3.732 20 10 GHCDMM O=C(COC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc([O-])c(O)c1 ZINC000782533846 931260427 /nfs/dbraw/zinc/26/04/27/931260427.db2.gz OKKFYQIPKHZJNE-UHFFFAOYSA-N -1 1 389.816 3.914 20 10 GHCDMM CSc1ccc(CCNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000798096559 932530481 /nfs/dbraw/zinc/53/04/81/932530481.db2.gz PGAXEVFHLNYTEK-UHFFFAOYSA-N -1 1 395.322 3.919 20 10 GHCDMM CC[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CCCO1 ZINC000798964909 932843118 /nfs/dbraw/zinc/84/31/18/932843118.db2.gz RATJMBWKBGLATQ-GFCCVEGCSA-N -1 1 393.119 3.918 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc(CN2CCCCC2=O)c1 ZINC000930073907 933814645 /nfs/dbraw/zinc/81/46/45/933814645.db2.gz ZFUZHURVVVJIPL-UHFFFAOYSA-N -1 1 387.867 3.880 20 10 GHCDMM COc1nsc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)c1C(=O)[O-] ZINC001599741270 991860372 /nfs/dbraw/zinc/86/03/72/991860372.db2.gz BVABCYHHBGDLGM-UHFFFAOYSA-N -1 1 385.489 3.856 20 10 GHCDMM O=C(NCc1ccc(OCC(F)(F)F)cc1)NCc1cccc(Cl)c1[O-] ZINC001220974556 1032215565 /nfs/dbraw/zinc/21/55/65/1032215565.db2.gz FWVCCCOJJZLVQX-UHFFFAOYSA-N -1 1 388.773 3.986 20 10 GHCDMM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235102 1032466595 /nfs/dbraw/zinc/46/65/95/1032466595.db2.gz YJZSZBLKJNDWSU-FQEVSTJZSA-N -1 1 379.412 3.866 20 10 GHCDMM Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232332 1032465285 /nfs/dbraw/zinc/46/52/85/1032465285.db2.gz SJRBSECLGLOSAW-UHFFFAOYSA-N -1 1 394.210 3.749 20 10 GHCDMM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)NCc1cccc(Br)c1[O-] ZINC000935663661 1019026114 /nfs/dbraw/zinc/02/61/14/1019026114.db2.gz YHDRXNKJLNDRBZ-JQWIXIFHSA-N -1 1 396.203 3.661 20 10 GHCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)c21 ZINC001228188997 1032831643 /nfs/dbraw/zinc/83/16/43/1032831643.db2.gz CTTWTFUTLNJZLC-PLTQMLKJSA-N -1 1 380.396 3.853 20 10 GHCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1C ZINC000755984083 1023466037 /nfs/dbraw/zinc/46/60/37/1023466037.db2.gz IHHWPHSQBMOSQH-UHFFFAOYSA-N -1 1 377.462 3.720 20 10 GHCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000756648843 1023753907 /nfs/dbraw/zinc/75/39/07/1023753907.db2.gz LKXLHTYMUVMJNA-KGLIPLIRSA-N -1 1 381.432 3.564 20 10 GHCDMM C[C@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@]1(C)O ZINC001203565313 1027436689 /nfs/dbraw/zinc/43/66/89/1027436689.db2.gz ZXZXHGKYURLWEB-XPTSAGLGSA-N -1 1 393.119 3.510 20 10 GHCDMM Cc1cc(O)c(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC000840910753 1027944943 /nfs/dbraw/zinc/94/49/43/1027944943.db2.gz RGDKXUUPNFTKQZ-UHFFFAOYSA-N -1 1 376.859 3.841 20 10 GHCDMM O=C1CCc2cc(NCc3cc(Br)cc(F)c3[O-])c(F)cc2N1 ZINC001461448339 1069554471 /nfs/dbraw/zinc/55/44/71/1069554471.db2.gz OLJOSKRFPGWNDK-UHFFFAOYSA-N -1 1 383.192 3.930 20 10 GHCDMM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(Br)ccc2OC)cc1C ZINC000841805976 1028954287 /nfs/dbraw/zinc/95/42/87/1028954287.db2.gz NIGWJAIXIFKQJZ-QGZVFWFLSA-N -1 1 394.265 3.690 20 10 GHCDMM Cc1cccc(N2CCC[C@]3(CN(Cc4cc(F)c(F)cc4[O-])CCO3)C2)c1 ZINC001142517344 1029021593 /nfs/dbraw/zinc/02/15/93/1029021593.db2.gz JXIMBADRTPLIJK-QFIPXVFZSA-N -1 1 388.458 3.850 20 10 GHCDMM CCCOc1ccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cc1 ZINC001217056947 1030130493 /nfs/dbraw/zinc/13/04/93/1030130493.db2.gz YCHTXIVXOFDXSH-UHFFFAOYSA-N -1 1 395.459 3.730 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1noc(Cc2ccccc2)n1 ZINC001223240539 1030491923 /nfs/dbraw/zinc/49/19/23/1030491923.db2.gz AOGYWCNYZAPEIH-GFCCVEGCSA-N -1 1 386.839 3.580 20 10 GHCDMM O=C(Nc1ccc2c(c1)N=NC2)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152606289 1031302132 /nfs/dbraw/zinc/30/21/32/1031302132.db2.gz BBLVPDLANYQEQU-UHFFFAOYSA-N -1 1 399.362 3.723 20 10 GHCDMM CC(C)CC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229784957 1033711409 /nfs/dbraw/zinc/71/14/09/1033711409.db2.gz DBRUJGLKMOLJST-LLVKDONJSA-N -1 1 376.405 3.649 20 10 GHCDMM C[C@@H]1CCC[C@H](C)[C@H]1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790889 1033715589 /nfs/dbraw/zinc/71/55/89/1033715589.db2.gz KIEFAMUHADHYFZ-CGEVSNMPSA-N -1 1 388.416 3.649 20 10 GHCDMM CCCC/C=C/[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229789101 1033715781 /nfs/dbraw/zinc/71/57/81/1033715781.db2.gz DCFBNMHSBDACKU-NNNHXZLVSA-N -1 1 388.416 3.959 20 10 GHCDMM O=C(CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccc([O-])c(O)c1 ZINC001159280331 1034520957 /nfs/dbraw/zinc/52/09/57/1034520957.db2.gz LHLCZOWPARDRAS-UHFFFAOYSA-N -1 1 383.335 3.502 20 10 GHCDMM CCCC[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001231453408 1034596668 /nfs/dbraw/zinc/59/66/68/1034596668.db2.gz FUPGOEXPRJWILV-KRWDZBQOSA-N -1 1 392.496 3.702 20 10 GHCDMM CN(CCN(C)C(=O)OC(C)(C)C)Cc1c([O-])cc(Br)cc1F ZINC001233026677 1038778150 /nfs/dbraw/zinc/77/81/50/1038778150.db2.gz CHSOZEWECZNSMT-UHFFFAOYSA-N -1 1 391.281 3.593 20 10 GHCDMM [O-]c1c(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc(F)c1F ZINC001233079924 1038848105 /nfs/dbraw/zinc/84/81/05/1038848105.db2.gz NSVWYBSBFGZRDP-NSHDSACASA-N -1 1 389.324 3.523 20 10 GHCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001233333935 1039134369 /nfs/dbraw/zinc/13/43/69/1039134369.db2.gz NDKQJSYCLSPRRZ-YCRPNKLZSA-N -1 1 390.430 3.516 20 10 GHCDMM Cn1cc2c(n1)CN(Cc1cccc(C(F)(F)F)c1[O-])C[C@@H]2COCC1CC1 ZINC001233417351 1039274754 /nfs/dbraw/zinc/27/47/54/1039274754.db2.gz RHUBPKVHTJVQMO-OAHLLOKOSA-N -1 1 395.425 3.671 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C ZINC001233498896 1039393501 /nfs/dbraw/zinc/39/35/01/1039393501.db2.gz WYHXGZHRGQOGGL-SNUQEOBHSA-N -1 1 391.464 3.857 20 10 GHCDMM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277829526 1039804610 /nfs/dbraw/zinc/80/46/10/1039804610.db2.gz FWXXDTBMXJEFDW-INIZCTEOSA-N -1 1 379.234 3.531 20 10 GHCDMM CCOC(=O)C1(CC)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235067715 1040559128 /nfs/dbraw/zinc/55/91/28/1040559128.db2.gz YVQMHTYWRZGZQK-UHFFFAOYSA-N -1 1 388.277 3.849 20 10 GHCDMM CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3c([O-])ccc(F)c3Cl)C2)c1 ZINC001237131645 1042055890 /nfs/dbraw/zinc/05/58/90/1042055890.db2.gz WBYWMYPOFVPXHQ-CQSZACIVSA-N -1 1 397.899 3.968 20 10 GHCDMM COc1cccc2c1CCN(Cc1cccc(I)c1[O-])C2 ZINC001237784696 1042368263 /nfs/dbraw/zinc/36/82/63/1042368263.db2.gz XBTDWEYHGLEQJS-UHFFFAOYSA-N -1 1 395.240 3.564 20 10 GHCDMM C[C@@H]1CO[C@@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@H]12 ZINC001237792186 1042372844 /nfs/dbraw/zinc/37/28/44/1042372844.db2.gz QBZMWSQXKDQQCC-XTWCZFFVSA-N -1 1 380.204 3.640 20 10 GHCDMM O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237800955 1042377135 /nfs/dbraw/zinc/37/71/35/1042377135.db2.gz PXWQVMZGVNSUOC-SJCJKPOMSA-N -1 1 392.833 3.670 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2ncn(CC3CC3)c21 ZINC001237939171 1042429356 /nfs/dbraw/zinc/42/93/56/1042429356.db2.gz UGCVFDLZHWEVSD-HNNXBMFYSA-N -1 1 393.890 3.927 20 10 GHCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2 ZINC001260246641 1045426868 /nfs/dbraw/zinc/42/68/68/1045426868.db2.gz FTWYBRPQUFFURL-UHFFFAOYSA-N -1 1 391.489 3.840 20 10 GHCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])nnn1-c1ccccc1Cl ZINC001305085353 1047889034 /nfs/dbraw/zinc/88/90/34/1047889034.db2.gz VGXZSNLLFHPNGY-UHFFFAOYSA-N -1 1 377.231 3.518 20 10 GHCDMM CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cs1 ZINC001308562230 1050009676 /nfs/dbraw/zinc/00/96/76/1050009676.db2.gz VMMAKZKUTRRPQV-ZDUSSCGKSA-N -1 1 397.491 3.542 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1ccc(C(F)(F)F)cc1F ZINC001309941194 1051062265 /nfs/dbraw/zinc/06/22/65/1051062265.db2.gz QWVCFWRAMGFCJW-UHFFFAOYSA-N -1 1 383.750 3.682 20 10 GHCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1-c1ccccc1 ZINC001320878504 1055996602 /nfs/dbraw/zinc/99/66/02/1055996602.db2.gz HHOJCPDVWRGYNZ-UHFFFAOYSA-N -1 1 378.380 3.813 20 10 GHCDMM Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001441428645 1058783574 /nfs/dbraw/zinc/78/35/74/1058783574.db2.gz XWPVFXKZCDDSGG-UHFFFAOYSA-N -1 1 388.470 3.815 20 10 GHCDMM CCCCOc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(O)c1 ZINC001457783146 1063364395 /nfs/dbraw/zinc/36/43/95/1063364395.db2.gz BUDSXHPKUVTKLH-UHFFFAOYSA-N -1 1 394.265 3.969 20 10 GHCDMM CCOc1cccc(/C=C\C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001467764079 1067458234 /nfs/dbraw/zinc/45/82/34/1067458234.db2.gz OHOJJSAABMOFRL-KTKRTIGZSA-N -1 1 376.250 3.883 20 10 GHCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1[O-] ZINC001603103285 1126227209 /nfs/dbraw/zinc/22/72/09/1126227209.db2.gz LADZEMUTHXENDB-LJQANCHMSA-N -1 1 379.815 3.563 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccccc1Cl ZINC000823504488 599309835 /nfs/dbraw/zinc/30/98/35/599309835.db2.gz QVTLFOMTBCMUJS-GHXNOFRVSA-N -1 1 389.849 3.519 20 10 GHCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccccc1Cl ZINC000823504488 599309838 /nfs/dbraw/zinc/30/98/38/599309838.db2.gz QVTLFOMTBCMUJS-GHXNOFRVSA-N -1 1 389.849 3.519 20 10 GHCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000740096199 600125509 /nfs/dbraw/zinc/12/55/09/600125509.db2.gz GCMCQCLMXGKYGX-FQEVSTJZSA-N -1 1 381.403 3.956 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833030243 601819845 /nfs/dbraw/zinc/81/98/45/601819845.db2.gz RNDYJFBILDJVAB-GUYCJALGSA-N -1 1 393.439 3.627 20 10 GHCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000822308280 606394034 /nfs/dbraw/zinc/39/40/34/606394034.db2.gz BNZBVICKCGFYSY-JYRVWZFOSA-N -1 1 385.499 3.642 20 10 GHCDMM Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000822231911 606394126 /nfs/dbraw/zinc/39/41/26/606394126.db2.gz MHCAJMBZKJQEAK-ZSOIEALJSA-N -1 1 399.526 3.951 20 10 GHCDMM CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000176982007 835421022 /nfs/dbraw/zinc/42/10/22/835421022.db2.gz PHDAKLCATUZCNZ-UHFFFAOYSA-N -1 1 396.821 3.987 20 10 GHCDMM Cc1ccc(C)n1-c1ccsc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640248 836563486 /nfs/dbraw/zinc/56/34/86/836563486.db2.gz QFPZFAJQVVWLOE-UHFFFAOYSA-N -1 1 375.523 3.921 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC2(CCO2)CC1 ZINC000376737184 838672741 /nfs/dbraw/zinc/67/27/41/838672741.db2.gz AICFNLVIFZEVFR-UHFFFAOYSA-N -1 1 391.103 3.672 20 10 GHCDMM CC(C)(C)[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277319762 845702597 /nfs/dbraw/zinc/70/25/97/845702597.db2.gz DJROHTXBXHVZEP-OCCSQVGLSA-N -1 1 385.302 3.548 20 10 GHCDMM COc1cccc2cc(C(=O)NCc3cccc(Br)c3[O-])oc21 ZINC000765756175 856162726 /nfs/dbraw/zinc/16/27/26/856162726.db2.gz KXZNSMSGTIVSFG-UHFFFAOYSA-N -1 1 376.206 3.840 20 10 GHCDMM COc1ccccc1[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765771305 857704980 /nfs/dbraw/zinc/70/49/80/857704980.db2.gz ZVMWBABBWCZZTE-GFCCVEGCSA-N -1 1 378.266 3.973 20 10 GHCDMM CCO[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C12CCCC2 ZINC000764790931 859611210 /nfs/dbraw/zinc/61/12/10/859611210.db2.gz KXLJWZUEPWTEMX-CABCVRRESA-N -1 1 397.313 3.692 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1COc2c1cccc2Cl ZINC000764798801 859613810 /nfs/dbraw/zinc/61/38/10/859613810.db2.gz VMYZAEWEYRAMPT-ZDUSSCGKSA-N -1 1 397.656 3.741 20 10 GHCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])cc2n[nH]cc21 ZINC000765329785 859910688 /nfs/dbraw/zinc/91/06/88/859910688.db2.gz UVCVNLYDDCPAHS-UHFFFAOYSA-N -1 1 375.226 3.661 20 10 GHCDMM Cc1cnc([C@H](NC(=O)NCc2cccc(Br)c2[O-])C2CC2)s1 ZINC000765518755 860053375 /nfs/dbraw/zinc/05/33/75/860053375.db2.gz WKJLDPOFZPNMJW-CYBMUJFWSA-N -1 1 396.310 3.870 20 10 GHCDMM COc1cccc(SCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765746055 860558748 /nfs/dbraw/zinc/55/87/48/860558748.db2.gz CGUZUSQFLBKFBK-UHFFFAOYSA-N -1 1 382.279 3.572 20 10 GHCDMM CC(C)Oc1ncc(C(=O)NCc2cccc(Br)c2[O-])cc1Cl ZINC000765748553 860566425 /nfs/dbraw/zinc/56/64/25/860566425.db2.gz WNBDFGPBMNUEPC-UHFFFAOYSA-N -1 1 399.672 3.920 20 10 GHCDMM Cc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753705 860590039 /nfs/dbraw/zinc/59/00/39/860590039.db2.gz PDRWEINJXZFYGR-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000792701825 881628559 /nfs/dbraw/zinc/62/85/59/881628559.db2.gz CBNOGFCNDQTVAF-UHFFFAOYSA-N -1 1 375.418 3.559 20 10 GHCDMM O=c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cn1-c1ccc(F)cc1 ZINC001168526576 867701704 /nfs/dbraw/zinc/70/17/04/867701704.db2.gz YXQZMMGHSJMTKY-UHFFFAOYSA-N -1 1 396.809 3.891 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN(CCO)Cc2cccnc2Cl)c1 ZINC000793365031 882129240 /nfs/dbraw/zinc/12/92/40/882129240.db2.gz FGNOQGIYTHPMFD-UHFFFAOYSA-N -1 1 385.689 3.506 20 10 GHCDMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000445459973 868498734 /nfs/dbraw/zinc/49/87/34/868498734.db2.gz KSWBIMFNELCNCY-UHFFFAOYSA-N -1 1 395.415 3.773 20 10 GHCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000769737267 874274573 /nfs/dbraw/zinc/27/45/73/874274573.db2.gz DOFDZIIBEFBAGC-KRWDZBQOSA-N -1 1 388.895 3.933 20 10 GHCDMM Cn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccccc1Cl ZINC000005448271 875464472 /nfs/dbraw/zinc/46/44/72/875464472.db2.gz XIFVTMBTRQGYNM-UHFFFAOYSA-N -1 1 375.837 3.522 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Cl)c(Br)cc1F ZINC000788067014 877820953 /nfs/dbraw/zinc/82/09/53/877820953.db2.gz MPWCNORJEMAQEO-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM COc1cc(OC)c2ncnc(NCc3cccc(Br)c3[O-])c2c1 ZINC000788554422 878146757 /nfs/dbraw/zinc/14/67/57/878146757.db2.gz ZQYLEISPNXLMCJ-UHFFFAOYSA-N -1 1 390.237 3.727 20 10 GHCDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789597954 879104109 /nfs/dbraw/zinc/10/41/09/879104109.db2.gz UCMCQDRHUUQLCG-KRWDZBQOSA-N -1 1 379.287 3.932 20 10 GHCDMM C[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])[C@H]1CO ZINC001203565210 912465905 /nfs/dbraw/zinc/46/59/05/912465905.db2.gz WMERWMXRGZTOJX-RNCFNFMXSA-N -1 1 393.119 3.510 20 10 GHCDMM CCc1nsc(N2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000093871560 912496378 /nfs/dbraw/zinc/49/63/78/912496378.db2.gz POBPLCPWIWGQMW-UHFFFAOYSA-N -1 1 387.336 3.825 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000776745122 879851681 /nfs/dbraw/zinc/85/16/81/879851681.db2.gz SCXBMEXBEUUTCE-UHFFFAOYSA-N -1 1 396.184 3.974 20 10 GHCDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1Cl ZINC000776748720 879913688 /nfs/dbraw/zinc/91/36/88/879913688.db2.gz DCOQQAVYKAITMV-UHFFFAOYSA-N -1 1 376.217 3.506 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000792189093 880977999 /nfs/dbraw/zinc/97/79/99/880977999.db2.gz QCKLWIZKIOEDFW-QGZVFWFLSA-N -1 1 392.293 3.743 20 10 GHCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(OC(F)(F)F)c(Br)c1 ZINC000794865138 888544348 /nfs/dbraw/zinc/54/43/48/888544348.db2.gz IHOQGWSKAFGUCZ-XBXARRHUSA-N -1 1 384.198 3.837 20 10 GHCDMM CCOC(=O)c1cc(NCc2cccc(Br)c2[O-])ncc1Cl ZINC000795173518 890820043 /nfs/dbraw/zinc/82/00/43/890820043.db2.gz PISMHVGRSGMQHY-UHFFFAOYSA-N -1 1 385.645 3.992 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000747831464 891204093 /nfs/dbraw/zinc/20/40/93/891204093.db2.gz ZGEYDXGXNVWHGE-MSOLQXFVSA-N -1 1 381.472 3.577 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000747831467 891204464 /nfs/dbraw/zinc/20/44/64/891204464.db2.gz ZGEYDXGXNVWHGE-ZWKOTPCHSA-N -1 1 381.472 3.577 20 10 GHCDMM Cc1cc(Br)c([O-])c([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)c1 ZINC000877856545 893857509 /nfs/dbraw/zinc/85/75/09/893857509.db2.gz DSWRQCQGDVPYKG-INIZCTEOSA-N -1 1 381.314 3.862 20 10 GHCDMM Cc1cc(Br)c([O-])c([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)c1 ZINC000877856546 893858891 /nfs/dbraw/zinc/85/88/91/893858891.db2.gz DSWRQCQGDVPYKG-MRXNPFEDSA-N -1 1 381.314 3.862 20 10 GHCDMM CN(C)c1nc(CNCc2cc(Cl)cc(Br)c2[O-])cs1 ZINC000883027740 897213276 /nfs/dbraw/zinc/21/32/76/897213276.db2.gz MTPRKKCOCDPPME-UHFFFAOYSA-N -1 1 376.707 3.620 20 10 GHCDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1Cl ZINC001185909105 914168800 /nfs/dbraw/zinc/16/88/00/914168800.db2.gz IZDLYQYIIWBMEC-UHFFFAOYSA-N -1 1 376.217 3.506 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CSC[C@H]1c1ccccc1 ZINC000846013945 902591851 /nfs/dbraw/zinc/59/18/51/902591851.db2.gz GELLDBRZJRRXRU-LSDHHAIUSA-N -1 1 392.318 3.918 20 10 GHCDMM O=C(NC1CCOCC1)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000845994192 902609463 /nfs/dbraw/zinc/60/94/63/902609463.db2.gz KSDOAMKCZIGTHL-UHFFFAOYSA-N -1 1 378.831 3.706 20 10 GHCDMM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186720915 914777478 /nfs/dbraw/zinc/77/74/78/914777478.db2.gz BZXZHHLZTTWPLB-UHFFFAOYSA-N -1 1 392.221 3.851 20 10 GHCDMM CCCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000008195000 921340462 /nfs/dbraw/zinc/34/04/62/921340462.db2.gz PMLBRCSOHZEVDX-UHFFFAOYSA-N -1 1 384.457 3.583 20 10 GHCDMM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(F)cc2[O-])c2nccn2C)c1 ZINC000184960273 907686039 /nfs/dbraw/zinc/68/60/39/907686039.db2.gz JJWDXNLZGPIECM-XCLFUZPHSA-N -1 1 385.439 3.722 20 10 GHCDMM C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622218 910885598 /nfs/dbraw/zinc/88/55/98/910885598.db2.gz RPQKDWDXGJGLOS-HOCLYGCPSA-N -1 1 382.451 3.893 20 10 GHCDMM O=C(c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)CC1CC1 ZINC001188970078 916317727 /nfs/dbraw/zinc/31/77/27/916317727.db2.gz XIQJTTNMHVWHAM-UHFFFAOYSA-N -1 1 394.290 3.832 20 10 GHCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1S(=O)(=O)NC1CC1 ZINC000796435136 917195742 /nfs/dbraw/zinc/19/57/42/917195742.db2.gz QAXDAVQVTHQRLE-UHFFFAOYSA-N -1 1 384.860 3.546 20 10 GHCDMM CO[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@@H](C)C1 ZINC000799738029 933106030 /nfs/dbraw/zinc/10/60/30/933106030.db2.gz RADDCKLJYHTKBL-CABZTGNLSA-N -1 1 393.119 3.917 20 10 GHCDMM CC[N@H+](Cc1cc(Br)ccc1[O-])Cc1cc(C(=O)[O-])ccc1OC ZINC001596354251 983816117 /nfs/dbraw/zinc/81/61/17/983816117.db2.gz GOLORXSNFMCDHO-UHFFFAOYSA-N -1 1 394.265 3.884 20 10 GHCDMM CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1cc(C(=O)[O-])ccc1OC ZINC001596354251 983816121 /nfs/dbraw/zinc/81/61/21/983816121.db2.gz GOLORXSNFMCDHO-UHFFFAOYSA-N -1 1 394.265 3.884 20 10 GHCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1[O-] ZINC001589271128 985969787 /nfs/dbraw/zinc/96/97/87/985969787.db2.gz OGFRXPMYSMWXLG-HNNXBMFYSA-N -1 1 385.313 3.668 20 10 GHCDMM COc1ccc(N2CCCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)cc1 ZINC001599586049 993614652 /nfs/dbraw/zinc/61/46/52/993614652.db2.gz KDDIGTPKIDEEQF-IBGZPJMESA-N -1 1 392.858 3.826 20 10 GHCDMM Cc1nc2cc(Cl)c(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cc2o1 ZINC001155228140 1032464318 /nfs/dbraw/zinc/46/43/18/1032464318.db2.gz LWJOXVAQNXJHQG-UHFFFAOYSA-N -1 1 386.747 3.560 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1c([O-])cccc1Cl ZINC001140342253 1021455455 /nfs/dbraw/zinc/45/54/55/1021455455.db2.gz ADSXVCFONWLSRA-NSHDSACASA-N -1 1 376.831 3.780 20 10 GHCDMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001204743429 1033059644 /nfs/dbraw/zinc/05/96/44/1033059644.db2.gz GUJOHJHKJTUYBS-KRWDZBQOSA-N -1 1 376.403 3.591 20 10 GHCDMM Cc1ccc(-c2cc(C(=O)NCc3cccc(Br)c3[O-])[nH]n2)cc1 ZINC001156792484 1033243634 /nfs/dbraw/zinc/24/36/34/1033243634.db2.gz OACACMHKXNOYNO-UHFFFAOYSA-N -1 1 386.249 3.783 20 10 GHCDMM O=C([N-]Cc1cccc(Br)c1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001156792071 1033243837 /nfs/dbraw/zinc/24/38/37/1033243837.db2.gz LLXCJDSGTAXRHQ-UHFFFAOYSA-N -1 1 392.146 3.841 20 10 GHCDMM C[C@@H](CCCc1cccnc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000838749404 1025344931 /nfs/dbraw/zinc/34/49/31/1025344931.db2.gz OYRFESONOGSLDG-ZDUSSCGKSA-N -1 1 392.297 3.760 20 10 GHCDMM C[N@@H+](Cc1ccno1)Cc1cc(Br)cc(Br)c1[O-] ZINC001203572009 1027441382 /nfs/dbraw/zinc/44/13/82/1027441382.db2.gz UASRAAUHNGYQED-UHFFFAOYSA-N -1 1 376.048 3.537 20 10 GHCDMM O=C(NCc1ccc2c(c1)CCCN2)NCc1cccc(Br)c1[O-] ZINC000842000827 1029028598 /nfs/dbraw/zinc/02/85/98/1029028598.db2.gz LNUBFGJSSAOCOG-UHFFFAOYSA-N -1 1 390.281 3.512 20 10 GHCDMM C[C@H](COc1ccc(F)cc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC001224274233 1030951830 /nfs/dbraw/zinc/95/18/30/1030951830.db2.gz FRJWCXREEGJKNO-LLVKDONJSA-N -1 1 397.244 3.561 20 10 GHCDMM CO[C@@H](COc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC001229197057 1033335656 /nfs/dbraw/zinc/33/56/56/1033335656.db2.gz MJLFHRNLQGRBRE-SFHVURJKSA-N -1 1 390.391 3.640 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC001205493232 1033438419 /nfs/dbraw/zinc/43/84/19/1033438419.db2.gz RSKMJDMKTTUISO-GOSISDBHSA-N -1 1 378.241 3.925 20 10 GHCDMM COc1cc([O-])c2c(=O)c(OC3CC=CC3)c(-c3ccc(O)c(O)c3)oc2c1 ZINC001229795668 1033722221 /nfs/dbraw/zinc/72/22/21/1033722221.db2.gz QOMKFTAQNTZCDM-UHFFFAOYSA-N -1 1 382.368 3.683 20 10 GHCDMM CN(CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001206349661 1033807451 /nfs/dbraw/zinc/80/74/51/1033807451.db2.gz BVTWCRJGSDHHNM-UHFFFAOYSA-N -1 1 397.700 3.556 20 10 GHCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c1 ZINC001231565212 1034715716 /nfs/dbraw/zinc/71/57/16/1034715716.db2.gz BBTFCTFUUQSGIS-UHFFFAOYSA-N -1 1 398.356 3.571 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001231911169 1034985516 /nfs/dbraw/zinc/98/55/16/1034985516.db2.gz DUCTYANVRBZTGS-ZSZQSSIHSA-N -1 1 394.924 3.698 20 10 GHCDMM CC(C)COc1ccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001160766824 1035062706 /nfs/dbraw/zinc/06/27/06/1035062706.db2.gz MKQVTTASRCOVEO-UHFFFAOYSA-N -1 1 375.440 3.979 20 10 GHCDMM COc1ccc(CN2Cc3cccc(F)c3C2)c([O-])c1I ZINC001248494525 1035914437 /nfs/dbraw/zinc/91/44/37/1035914437.db2.gz ZVICUCHBXGJJKF-UHFFFAOYSA-N -1 1 399.203 3.660 20 10 GHCDMM CCOC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2c1cnn2CC ZINC001233416730 1039271863 /nfs/dbraw/zinc/27/18/63/1039271863.db2.gz TWSGRVQELFIULS-CQSZACIVSA-N -1 1 383.414 3.763 20 10 GHCDMM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419953 1039282955 /nfs/dbraw/zinc/28/29/55/1039282955.db2.gz SRTANAVAJFWGNT-CQSZACIVSA-N -1 1 378.394 3.758 20 10 GHCDMM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277829527 1039805659 /nfs/dbraw/zinc/80/56/59/1039805659.db2.gz FWXXDTBMXJEFDW-MRXNPFEDSA-N -1 1 379.234 3.531 20 10 GHCDMM CCCCS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccn1 ZINC001253855288 1039863295 /nfs/dbraw/zinc/86/32/95/1039863295.db2.gz KVKRTYRIUSITED-UHFFFAOYSA-N -1 1 397.294 3.617 20 10 GHCDMM COc1ccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2[O-])cc1OC ZINC001235063859 1040552109 /nfs/dbraw/zinc/55/21/09/1040552109.db2.gz BTOSEHTZBVSWSV-UHFFFAOYSA-N -1 1 384.245 3.943 20 10 GHCDMM Cc1ccc(O[C@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C2)nc1 ZINC001235076162 1040564589 /nfs/dbraw/zinc/56/45/89/1040564589.db2.gz SMUAFFHSOGBFFI-AWEZNQCLSA-N -1 1 381.245 3.651 20 10 GHCDMM CC(C)(C)c1csc(CC2(O)CCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC001462510238 1070313057 /nfs/dbraw/zinc/31/30/57/1070313057.db2.gz CWKVSTVQHLILTJ-UHFFFAOYSA-N -1 1 396.503 3.994 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001236789013 1041894248 /nfs/dbraw/zinc/89/42/48/1041894248.db2.gz ANRWYPRREAHBQV-KVSKMBFKSA-N -1 1 395.286 3.905 20 10 GHCDMM COCCN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])Cc2cccnc21 ZINC001236793016 1041898078 /nfs/dbraw/zinc/89/80/78/1041898078.db2.gz KVOOSRMSZGVJFQ-UHFFFAOYSA-N -1 1 382.291 3.563 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001236794783 1041899830 /nfs/dbraw/zinc/89/98/30/1041899830.db2.gz ZVBGWGMXATWBEV-UHFFFAOYSA-N -1 1 392.290 3.546 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001237124249 1042052057 /nfs/dbraw/zinc/05/20/57/1042052057.db2.gz LEDGDVOLYUBCJW-UHFFFAOYSA-N -1 1 389.780 3.921 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001237777970 1042364850 /nfs/dbraw/zinc/36/48/50/1042364850.db2.gz QVQTZUIECAFCMT-LLVKDONJSA-N -1 1 385.167 3.566 20 10 GHCDMM O=C(NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1)c1ccccc1F ZINC001237803071 1042378847 /nfs/dbraw/zinc/37/88/47/1042378847.db2.gz QFSRKBOWEFMUPB-UHFFFAOYSA-N -1 1 380.822 3.718 20 10 GHCDMM O=S(=O)([N-]c1ccccc1C1=CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001237828701 1042390419 /nfs/dbraw/zinc/39/04/19/1042390419.db2.gz PGGJLPBRMLPTMP-UHFFFAOYSA-N -1 1 399.299 3.877 20 10 GHCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1[N+](=O)[O-] ZINC000740609889 1044026344 /nfs/dbraw/zinc/02/63/44/1044026344.db2.gz OJJCJHANYKFXCD-UHFFFAOYSA-N -1 1 389.477 3.940 20 10 GHCDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCC(C)CC2)c1 ZINC000740604260 1044027091 /nfs/dbraw/zinc/02/70/91/1044027091.db2.gz GCWOOOBRTZMWNN-UHFFFAOYSA-N -1 1 389.477 3.940 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1F ZINC001259460273 1045174939 /nfs/dbraw/zinc/17/49/39/1045174939.db2.gz VTVBVKGZGXVYDY-UHFFFAOYSA-N -1 1 382.888 3.948 20 10 GHCDMM Cc1nc(-c2ccc(S(=O)(=O)Nc3c(F)cc([O-])cc3F)s2)cs1 ZINC001259983623 1045341135 /nfs/dbraw/zinc/34/11/35/1045341135.db2.gz NBCPYBAZBXAEAW-UHFFFAOYSA-N -1 1 388.442 3.965 20 10 GHCDMM Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001260460951 1045502386 /nfs/dbraw/zinc/50/23/86/1045502386.db2.gz FEIMVZJFCNCYRZ-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM C[C@]1(CO)CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001323451310 1056971957 /nfs/dbraw/zinc/97/19/57/1056971957.db2.gz FNIOHDCXGXXBBQ-AWEZNQCLSA-N -1 1 393.119 3.512 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)c2ncccc2c1 ZINC001448954746 1060305466 /nfs/dbraw/zinc/30/54/66/1060305466.db2.gz BGIOQXNDFSTWDP-UHFFFAOYSA-N -1 1 375.197 3.772 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nn(CC(F)F)c2ccccc12 ZINC001467558184 1067358312 /nfs/dbraw/zinc/35/83/12/1067358312.db2.gz FPIPHHWQICSMNS-UHFFFAOYSA-N -1 1 380.782 3.982 20 10 GHCDMM COc1cc(NCc2cccc(Br)c2[O-])c([N+](=O)[O-])cc1OC ZINC000764935583 1068103484 /nfs/dbraw/zinc/10/34/84/1068103484.db2.gz YJMCTKQXWXTPOK-UHFFFAOYSA-N -1 1 383.198 3.692 20 10 GHCDMM Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3cccc(Cl)c3[O-])C2)cc1C ZINC001469926974 1068474939 /nfs/dbraw/zinc/47/49/39/1068474939.db2.gz GRSXFHKMVWGBPC-MRXNPFEDSA-N -1 1 387.867 3.655 20 10 GHCDMM O=C(NCC[C@@H]1CCCC1(F)F)NCc1cccc(Br)c1[O-] ZINC001471184054 1072956697 /nfs/dbraw/zinc/95/66/97/1072956697.db2.gz OSOADBPPCVJJTH-NSHDSACASA-N -1 1 377.229 3.779 20 10 GHCDMM C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CN1C(=O)OC(C)(C)C ZINC001479079646 1079095761 /nfs/dbraw/zinc/09/57/61/1079095761.db2.gz ZTCCCRPRKLWSIS-OCCSQVGLSA-N -1 1 397.903 3.633 20 10 GHCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccc(C(F)(F)F)nc1Cl ZINC001472569313 1073555334 /nfs/dbraw/zinc/55/53/34/1073555334.db2.gz BUFVJBMXPNFUIR-ZCFIWIBFSA-N -1 1 378.709 3.795 20 10 GHCDMM O=C(c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1)N1CCC[C@@H](CO)C1 ZINC001474054495 1074249490 /nfs/dbraw/zinc/24/94/90/1074249490.db2.gz GZZNQQPSDUFJCY-CYBMUJFWSA-N -1 1 392.858 3.641 20 10 GHCDMM CN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC001474366920 1074366214 /nfs/dbraw/zinc/36/62/14/1074366214.db2.gz HMZRRYRTSAYJAB-MRXNPFEDSA-N -1 1 393.256 3.531 20 10 GHCDMM COC(=O)[C@](C)(NCc1ccc(Cl)cc1[O-])c1cccc(Br)c1 ZINC001474718928 1074532746 /nfs/dbraw/zinc/53/27/46/1074532746.db2.gz JTXSUUQINOXHIL-QGZVFWFLSA-N -1 1 398.684 3.986 20 10 GHCDMM O=C(c1ccccc1)c1cc(Cl)ccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826474431 607546556 /nfs/dbraw/zinc/54/65/56/607546556.db2.gz PLZWPCUKKHOLCB-UHFFFAOYSA-N -1 1 390.834 3.758 20 10 GHCDMM O=C(c1ccccc1)c1cc(Cl)ccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826474431 607546557 /nfs/dbraw/zinc/54/65/57/607546557.db2.gz PLZWPCUKKHOLCB-UHFFFAOYSA-N -1 1 390.834 3.758 20 10 GHCDMM CC(C)c1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1-c1ccc(F)cc1 ZINC000782698156 837495496 /nfs/dbraw/zinc/49/54/96/837495496.db2.gz PBSXPMGERFVZMP-UHFFFAOYSA-N -1 1 398.390 3.586 20 10 GHCDMM CCc1ccc(-c2noc([C@H](C)NCc3ccc([N+](=O)[O-])c(OC)c3[O-])n2)cc1 ZINC000278402127 834971453 /nfs/dbraw/zinc/97/14/53/834971453.db2.gz OHVZCNAFDUWWML-LBPRGKRZSA-N -1 1 398.419 3.772 20 10 GHCDMM C[N@H+](CCOc1ccccc1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194947 835092971 /nfs/dbraw/zinc/09/29/71/835092971.db2.gz OIPKTRMZPVMXKQ-UHFFFAOYSA-N -1 1 377.440 3.840 20 10 GHCDMM C[N@@H+](CCOc1ccccc1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194947 835092983 /nfs/dbraw/zinc/09/29/83/835092983.db2.gz OIPKTRMZPVMXKQ-UHFFFAOYSA-N -1 1 377.440 3.840 20 10 GHCDMM CC(C)c1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765903322 855946430 /nfs/dbraw/zinc/94/64/30/855946430.db2.gz JBOGQMZWBBZLMU-UHFFFAOYSA-N -1 1 391.265 3.533 20 10 GHCDMM Cc1nc(-c2ccccc2)ncc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756298 856143405 /nfs/dbraw/zinc/14/34/05/856143405.db2.gz MFTLBGREFUMLLG-UHFFFAOYSA-N -1 1 398.260 3.850 20 10 GHCDMM CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765768265 857652199 /nfs/dbraw/zinc/65/21/99/857652199.db2.gz ILOGPWZVIDBEDS-INIZCTEOSA-N -1 1 378.266 3.937 20 10 GHCDMM O=C(CNc1ccc2c(c1)[C@@H](c1ccccc1)CC(=O)N2)c1ccc([O-])c(O)c1 ZINC001170323327 881358858 /nfs/dbraw/zinc/35/88/58/881358858.db2.gz WYUPUDOTQOCVRK-QGZVFWFLSA-N -1 1 388.423 3.867 20 10 GHCDMM O=C(NCCCOC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000764756499 859593429 /nfs/dbraw/zinc/59/34/29/859593429.db2.gz GQWUWCXUMCRCNV-UHFFFAOYSA-N -1 1 385.302 3.693 20 10 GHCDMM Cc1ccc(OC[C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764768520 859595175 /nfs/dbraw/zinc/59/51/75/859595175.db2.gz QXEMXMXVMFDYEL-CYBMUJFWSA-N -1 1 393.281 3.730 20 10 GHCDMM O=C(NCCc1cccc(Cl)c1)NCc1cccc(Br)c1[O-] ZINC000764756742 859596111 /nfs/dbraw/zinc/59/61/11/859596111.db2.gz HGROANRTGRHZBB-UHFFFAOYSA-N -1 1 383.673 3.850 20 10 GHCDMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000764765499 859600227 /nfs/dbraw/zinc/60/02/27/859600227.db2.gz DWHBORWIVJXDRX-INIZCTEOSA-N -1 1 375.266 3.950 20 10 GHCDMM CCC[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC000764777131 859607369 /nfs/dbraw/zinc/60/73/69/859607369.db2.gz CAOLXENWJFUFPY-HNNXBMFYSA-N -1 1 378.270 3.890 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000896119912 860370406 /nfs/dbraw/zinc/37/04/06/860370406.db2.gz MHWBEZMLXXTIMY-HDJSIYSDSA-N -1 1 397.903 3.681 20 10 GHCDMM Cc1ccnn1-c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765732006 860499849 /nfs/dbraw/zinc/49/98/49/860499849.db2.gz ONPLVJVQNRUYMB-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM CCO[C@H](C)c1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765729618 860505448 /nfs/dbraw/zinc/50/54/48/860505448.db2.gz QKUHLBJHLFRIBH-SECBINFHSA-N -1 1 385.283 3.639 20 10 GHCDMM Cc1ccc(OCCC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765732908 860513750 /nfs/dbraw/zinc/51/37/50/860513750.db2.gz UQLAFIUJEYJJQF-UHFFFAOYSA-N -1 1 378.266 3.857 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](c1ccncc1)C1CC1 ZINC000899006167 865105441 /nfs/dbraw/zinc/10/54/41/865105441.db2.gz MTPYKWNPEOMAFZ-HNNXBMFYSA-N -1 1 376.254 3.500 20 10 GHCDMM CC[C@H]1NC(=O)N(c2cccc(NCc3c([O-])ccc(Cl)c3F)c2)C1=O ZINC000793347761 882144492 /nfs/dbraw/zinc/14/44/92/882144492.db2.gz QVEXSZBRHSIZLU-CQSZACIVSA-N -1 1 377.803 3.632 20 10 GHCDMM CC(C)(C)c1cc(NC(=O)c2ccc(O)c([O-])c2Cl)n(-c2cccnc2)n1 ZINC001193220041 870951454 /nfs/dbraw/zinc/95/14/54/870951454.db2.gz PXIPMEPIMMORLP-UHFFFAOYSA-N -1 1 386.839 3.882 20 10 GHCDMM Cn1nc(Br)c2ccc(NC(=O)c3ccc(O)c([O-])c3Cl)cc21 ZINC001193229227 870990365 /nfs/dbraw/zinc/99/03/65/870990365.db2.gz FYSBYUXRETUILZ-UHFFFAOYSA-N -1 1 396.628 3.653 20 10 GHCDMM O=C1c2ccccc2N[C@H](c2cc(Cl)cc(F)c2[O-])N1C[C@@H]1CCCO1 ZINC000768266927 873197628 /nfs/dbraw/zinc/19/76/28/873197628.db2.gz XEJOAWLAHPPYFZ-SGTLLEGYSA-N -1 1 376.815 3.930 20 10 GHCDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c1 ZINC001197110293 873605883 /nfs/dbraw/zinc/60/58/83/873605883.db2.gz OYXSYTVRMWORPB-FMIVXFBMSA-N -1 1 383.425 3.532 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001142520318 884475597 /nfs/dbraw/zinc/47/55/97/884475597.db2.gz FYAQIYLAKVTFMJ-UHFFFAOYSA-N -1 1 397.263 3.751 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@H]1CCC(F)(F)CN1Cc1cc(F)c(F)cc1[O-] ZINC001142534272 884603287 /nfs/dbraw/zinc/60/32/87/884603287.db2.gz CMHDFOVGOFUWNB-GFCCVEGCSA-N -1 1 392.393 3.795 20 10 GHCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1ccc(Br)cc1F ZINC000808115867 886025837 /nfs/dbraw/zinc/02/58/37/886025837.db2.gz WDUUMYUIPMIXLQ-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM CCOc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)cc(Cl)c1[O-] ZINC000762582058 886447189 /nfs/dbraw/zinc/44/71/89/886447189.db2.gz JSIJBINAQZMNGT-UHFFFAOYSA-N -1 1 376.840 3.533 20 10 GHCDMM Cc1ccc2c(=O)c(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c[n-]c2n1 ZINC000916138031 888760363 /nfs/dbraw/zinc/76/03/63/888760363.db2.gz DICMICPHCJRBMT-UHFFFAOYSA-N -1 1 390.487 3.906 20 10 GHCDMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cnc2n1 ZINC000916138031 888760371 /nfs/dbraw/zinc/76/03/71/888760371.db2.gz DICMICPHCJRBMT-UHFFFAOYSA-N -1 1 390.487 3.906 20 10 GHCDMM CC[C@H](NCc1nnc(C2CCOCC2)[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000866439394 888879050 /nfs/dbraw/zinc/87/90/50/888879050.db2.gz GUBDBLVOSJKWSZ-AWEZNQCLSA-N -1 1 385.295 3.952 20 10 GHCDMM C[C@H](NCc1nn(C)cc1C(F)F)c1cc(Br)cc(F)c1[O-] ZINC000866565706 888939674 /nfs/dbraw/zinc/93/96/74/888939674.db2.gz PPPVYMQZHZNDIO-ZETCQYMHSA-N -1 1 378.192 3.816 20 10 GHCDMM COc1cccc(Cc2nnc(NCc3cccc(Br)c3[O-])o2)c1 ZINC000794967698 889089418 /nfs/dbraw/zinc/08/94/18/889089418.db2.gz AAAOVEURKMQDHJ-UHFFFAOYSA-N -1 1 390.237 3.749 20 10 GHCDMM COCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])Cc1ccc(F)cc1Cl ZINC000774880075 913904605 /nfs/dbraw/zinc/90/46/05/913904605.db2.gz FLIWYCJVIDRQTG-UHFFFAOYSA-N -1 1 398.818 3.750 20 10 GHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1S(=O)(=O)NC1CC1 ZINC000816607079 894968933 /nfs/dbraw/zinc/96/89/33/894968933.db2.gz FBZSQWLKIMCAJH-UHFFFAOYSA-N -1 1 384.860 3.546 20 10 GHCDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001185790823 914076241 /nfs/dbraw/zinc/07/62/41/914076241.db2.gz OULVQIIIYDLAHA-UHFFFAOYSA-N -1 1 395.411 3.710 20 10 GHCDMM O=C(c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCCC[C@@H]1CCO ZINC000883054256 897236903 /nfs/dbraw/zinc/23/69/03/897236903.db2.gz AXKDKARRTFPAJL-GOSISDBHSA-N -1 1 390.430 3.660 20 10 GHCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c2)CC1 ZINC000125515511 902304955 /nfs/dbraw/zinc/30/49/55/902304955.db2.gz WCVBAJBHMQCBLC-UHFFFAOYSA-N -1 1 399.516 3.608 20 10 GHCDMM [O-]c1cc(F)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001144663507 902584046 /nfs/dbraw/zinc/58/40/46/902584046.db2.gz FYSXPJIWJCIOTR-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2Cl)c1 ZINC001187582850 915350367 /nfs/dbraw/zinc/35/03/67/915350367.db2.gz YYIDEYQWJBDHHR-UHFFFAOYSA-N -1 1 396.635 3.851 20 10 GHCDMM CCSc1cccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000752853394 929053235 /nfs/dbraw/zinc/05/32/35/929053235.db2.gz HEGRPZXTMQKBBC-UHFFFAOYSA-N -1 1 391.474 3.593 20 10 GHCDMM Cc1ccc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Br)c1 ZINC000782470953 931233805 /nfs/dbraw/zinc/23/38/05/931233805.db2.gz UZSOFQYHXMSDSD-FNORWQNLSA-N -1 1 391.217 3.608 20 10 GHCDMM CCOc1ccc(C[C@@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)C(=O)[O-])cc1 ZINC001597095391 986690112 /nfs/dbraw/zinc/69/01/12/986690112.db2.gz OEZPXOFPTHESHC-HNNXBMFYSA-N -1 1 377.868 3.786 20 10 GHCDMM O=C(Nc1ccccc1-c1nccs1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155230700 1032464299 /nfs/dbraw/zinc/46/42/99/1032464299.db2.gz AOERLALBIQYAQG-UHFFFAOYSA-N -1 1 380.381 3.580 20 10 GHCDMM O=C(Nc1cc2cccnc2c2ncccc12)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228410 1032464433 /nfs/dbraw/zinc/46/44/33/1032464433.db2.gz OGYYWFLPRUOSIA-UHFFFAOYSA-N -1 1 399.362 3.553 20 10 GHCDMM COc1ccc([C@H](C)Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC001227581402 1032470812 /nfs/dbraw/zinc/47/08/12/1032470812.db2.gz ZYDGAPLEVSPXPU-LBPRGKRZSA-N -1 1 375.380 3.711 20 10 GHCDMM Cc1c(NC(=O)NCc2cccc(Cl)c2[O-])cccc1C(=O)N1CCCC1 ZINC000930059687 1017779883 /nfs/dbraw/zinc/77/98/83/1017779883.db2.gz ZBZKVNQIOXDZHS-UHFFFAOYSA-N -1 1 387.867 3.912 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1CCOc2ccccc21 ZINC001228110235 1032786900 /nfs/dbraw/zinc/78/69/00/1032786900.db2.gz IBDNWDGXYZMQEG-LJQANCHMSA-N -1 1 378.380 3.937 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])CC1(F)F ZINC001140465893 1021761060 /nfs/dbraw/zinc/76/10/60/1021761060.db2.gz UGYDBMMYXPBZSD-CQSZACIVSA-N -1 1 376.831 3.780 20 10 GHCDMM [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001140581616 1022001990 /nfs/dbraw/zinc/00/19/90/1022001990.db2.gz VMSWWHDEOOSMRE-UZCIPKQKSA-N -1 1 378.444 3.966 20 10 GHCDMM [O-]c1cc(F)cc(F)c1CN1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001140581616 1022001997 /nfs/dbraw/zinc/00/19/97/1022001997.db2.gz VMSWWHDEOOSMRE-UZCIPKQKSA-N -1 1 378.444 3.966 20 10 GHCDMM C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(Br)c(F)cc1[O-] ZINC000756840291 1023830967 /nfs/dbraw/zinc/83/09/67/1023830967.db2.gz KYUFHNBGQCLBMV-VIFPVBQESA-N -1 1 395.228 3.822 20 10 GHCDMM C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)cc(F)c1[O-] ZINC000756854993 1023836263 /nfs/dbraw/zinc/83/62/63/1023836263.db2.gz IPRBGIJFQLRUGD-QMMMGPOBSA-N -1 1 381.201 3.912 20 10 GHCDMM CCOC(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367602 1024739991 /nfs/dbraw/zinc/73/99/91/1024739991.db2.gz HRDYSCKRVZORMX-LLVKDONJSA-N -1 1 390.705 3.973 20 10 GHCDMM Cc1cc(C=O)c([O-])c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC001163911056 1026359552 /nfs/dbraw/zinc/35/95/52/1026359552.db2.gz WXWZUPIPKRAJAX-UHFFFAOYSA-N -1 1 394.393 3.784 20 10 GHCDMM CC(C)(C)c1ccc([C@H](O)CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000840221863 1027356418 /nfs/dbraw/zinc/35/64/18/1027356418.db2.gz NBVNXJGRPRHRFN-QGZVFWFLSA-N -1 1 386.444 3.635 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001205734330 1033550985 /nfs/dbraw/zinc/55/09/85/1033550985.db2.gz AGAUVTLOXMLASP-INIZCTEOSA-N -1 1 379.407 3.675 20 10 GHCDMM C[C@@H]1CC[C@H](C)[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229787830 1033714852 /nfs/dbraw/zinc/71/48/52/1033714852.db2.gz XOYNQFVTQCZZNI-VGTOOOLASA-N -1 1 388.416 3.649 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001159033154 1034392529 /nfs/dbraw/zinc/39/25/29/1034392529.db2.gz CHOYUPRKLBAAGD-SFHVURJKSA-N -1 1 376.859 3.856 20 10 GHCDMM CC(C)C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231563453 1034713118 /nfs/dbraw/zinc/71/31/18/1034713118.db2.gz AIGJXZZIAIUESP-KRWDZBQOSA-N -1 1 392.496 3.558 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001231911309 1034985463 /nfs/dbraw/zinc/98/54/63/1034985463.db2.gz JFRRCMRPVGDKEJ-UHFFFAOYSA-N -1 1 387.867 3.958 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001231911647 1034986727 /nfs/dbraw/zinc/98/67/27/1034986727.db2.gz OCFQWBNCEFEBHH-LAUBAEHRSA-N -1 1 388.895 3.891 20 10 GHCDMM COc1ccc(CN2CCCC[C@@](C)(F)C2)c([O-])c1I ZINC001248481821 1035908725 /nfs/dbraw/zinc/90/87/25/1035908725.db2.gz HKXCRCZSJNBEKN-OAHLLOKOSA-N -1 1 393.240 3.720 20 10 GHCDMM O=C1NCCN(Cc2ccc(Cl)cc2[O-])[C@@H]1c1ccccc1C(F)(F)F ZINC001462072516 1069979971 /nfs/dbraw/zinc/97/99/71/1069979971.db2.gz KDQODUPHFJRZBV-MRXNPFEDSA-N -1 1 384.785 3.738 20 10 GHCDMM O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263069 1037985152 /nfs/dbraw/zinc/98/51/52/1037985152.db2.gz DVDMTTWBTCQGSA-UHFFFAOYSA-N -1 1 395.286 3.753 20 10 GHCDMM CN1CCN(Cc2c([O-])cc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC001233027238 1038779090 /nfs/dbraw/zinc/77/90/90/1038779090.db2.gz OJADMHGSUZIQDX-KRWDZBQOSA-N -1 1 379.273 3.783 20 10 GHCDMM CCOC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)C[C@@H]1C ZINC001233033439 1038788417 /nfs/dbraw/zinc/78/84/17/1038788417.db2.gz OBCCAEFYLPIDNN-NWDGAFQWSA-N -1 1 388.277 3.705 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 ZINC001233495888 1039389763 /nfs/dbraw/zinc/38/97/63/1039389763.db2.gz NFJFVZAFPRWGFR-BBEJJTJUSA-N -1 1 391.464 3.857 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001233495614 1039389994 /nfs/dbraw/zinc/38/99/94/1039389994.db2.gz PVLWSEIEVKLZED-BETUJISGSA-N -1 1 379.453 3.857 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(-c2ccco2)n1 ZINC001255877517 1041371586 /nfs/dbraw/zinc/37/15/86/1041371586.db2.gz UHKSRFYWODDAIN-UHFFFAOYSA-N -1 1 379.235 3.801 20 10 GHCDMM CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795249 1041899796 /nfs/dbraw/zinc/89/97/96/1041899796.db2.gz BDJKGPUMBVDEIM-ZDUSSCGKSA-N -1 1 389.279 3.715 20 10 GHCDMM CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237083279 1042028865 /nfs/dbraw/zinc/02/88/65/1042028865.db2.gz BATPAQNZUALZDZ-LBPRGKRZSA-N -1 1 389.279 3.715 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)CC(F)(F)C1 ZINC001237131782 1042055527 /nfs/dbraw/zinc/05/55/27/1042055527.db2.gz XESZWFRUMPAHIW-JTQLQIEISA-N -1 1 394.821 3.919 20 10 GHCDMM Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Br)cc1 ZINC001237605179 1042278593 /nfs/dbraw/zinc/27/85/93/1042278593.db2.gz SDLLNDUYSJNJSK-UHFFFAOYSA-N -1 1 395.200 3.851 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCc2c(F)cccc2C1 ZINC001237784605 1042368247 /nfs/dbraw/zinc/36/82/47/1042368247.db2.gz UZPPCWXUGDXVGZ-UHFFFAOYSA-N -1 1 383.204 3.694 20 10 GHCDMM O=C(c1cccc(Cl)c1)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237949457 1042435222 /nfs/dbraw/zinc/43/52/22/1042435222.db2.gz MHBVUCPVBJKOIG-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM Nc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC001238889362 1042746490 /nfs/dbraw/zinc/74/64/90/1042746490.db2.gz UAGMNVVGNFZDMX-UHFFFAOYSA-N -1 1 379.696 3.750 20 10 GHCDMM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc(O)cc3O)c1C)CC(C)(C)O2 ZINC001260243853 1045424161 /nfs/dbraw/zinc/42/41/61/1045424161.db2.gz AKYFUJGXVZRXCC-UHFFFAOYSA-N -1 1 377.462 3.537 20 10 GHCDMM C[C@]1(C(=O)NCc2cccc(Br)c2[O-])CCOc2ccccc21 ZINC001297440527 1045523305 /nfs/dbraw/zinc/52/33/05/1045523305.db2.gz OIHHYMNOKXPWQK-SFHVURJKSA-N -1 1 376.250 3.511 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(Cl)cc1F ZINC001261072982 1045887997 /nfs/dbraw/zinc/88/79/97/1045887997.db2.gz LTNFZLKSECADEO-UHFFFAOYSA-N -1 1 376.196 3.778 20 10 GHCDMM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001279503906 1047826944 /nfs/dbraw/zinc/82/69/44/1047826944.db2.gz AZALRAKRZZLIGW-OKILXGFUSA-N -1 1 383.439 3.635 20 10 GHCDMM CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001305084373 1047887689 /nfs/dbraw/zinc/88/76/89/1047887689.db2.gz IMLIYWNPPWXWPY-LJQANCHMSA-N -1 1 382.888 3.699 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001305084877 1047887869 /nfs/dbraw/zinc/88/78/69/1047887869.db2.gz ONWBJFJCLIRKAO-KGLIPLIRSA-N -1 1 396.825 3.573 20 10 GHCDMM O=C(NCC1(c2ccccc2Br)CCC1)c1c(F)ccc(O)c1[O-] ZINC001306855297 1048929691 /nfs/dbraw/zinc/92/96/91/1048929691.db2.gz QEGNJEYNOYBMFE-UHFFFAOYSA-N -1 1 394.240 3.851 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1nc(Cc2ccccc2)no1 ZINC001312211225 1052638671 /nfs/dbraw/zinc/63/86/71/1052638671.db2.gz BTBUWQMQVJUGAN-GFCCVEGCSA-N -1 1 386.839 3.580 20 10 GHCDMM O=C(NCCCOc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC001313391493 1053040750 /nfs/dbraw/zinc/04/07/50/1053040750.db2.gz UJOFKEKIRZTENG-UHFFFAOYSA-N -1 1 397.244 3.562 20 10 GHCDMM CC[C@@H]1CCCc2sc(NC(=O)C(=O)NCc3cccc(Cl)c3[O-])nc21 ZINC001337951541 1058341076 /nfs/dbraw/zinc/34/10/76/1058341076.db2.gz OCHSQFXXKCJEML-SNVBAGLBSA-N -1 1 393.896 3.587 20 10 GHCDMM Cc1cc(C[C@H](C)NC(=O)NCc2cccc(Cl)c2[O-])n(-c2ccccc2)n1 ZINC001478250785 1078785100 /nfs/dbraw/zinc/78/51/00/1078785100.db2.gz OCYWCWPYOIAXNX-AWEZNQCLSA-N -1 1 398.894 3.970 20 10 GHCDMM CC(C)(C)OC(=O)NC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC001470752371 1072721310 /nfs/dbraw/zinc/72/13/10/1072721310.db2.gz CDEYUGCKIREOAJ-UHFFFAOYSA-N -1 1 397.903 3.682 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC001472579050 1073558821 /nfs/dbraw/zinc/55/88/21/1073558821.db2.gz FMULSFTYNSKDNL-ZDUSSCGKSA-N -1 1 391.309 3.890 20 10 GHCDMM C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000820570778 606393448 /nfs/dbraw/zinc/39/34/48/606393448.db2.gz RDQNGZMNVSDINH-AHEVQNHNSA-N -1 1 399.526 3.891 20 10 GHCDMM CC(C)(C)n1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1-c1ccccc1 ZINC000784952601 835987858 /nfs/dbraw/zinc/98/78/58/835987858.db2.gz AADWLVCYXWRDGQ-UHFFFAOYSA-N -1 1 394.427 3.756 20 10 GHCDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000180526705 838603328 /nfs/dbraw/zinc/60/33/28/838603328.db2.gz LAJYGUDQFKHACM-HNNXBMFYSA-N -1 1 395.377 3.938 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000894170572 844481751 /nfs/dbraw/zinc/48/17/51/844481751.db2.gz DOXPDEBVKPJECX-RDJZCZTQSA-N -1 1 378.831 3.904 20 10 GHCDMM O=C(NC1CCOCC1)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195158677 840415707 /nfs/dbraw/zinc/41/57/07/840415707.db2.gz XUHYVQZRZKXCKC-UHFFFAOYSA-N -1 1 378.831 3.706 20 10 GHCDMM CCCC(=O)Nc1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000891924900 843836933 /nfs/dbraw/zinc/83/69/33/843836933.db2.gz DPZDHFMZCFPVDU-UHFFFAOYSA-N -1 1 375.856 3.784 20 10 GHCDMM C[C@H](NCc1nccn1C)c1cc(Br)cc(Br)c1[O-] ZINC000273557674 847370240 /nfs/dbraw/zinc/37/02/40/847370240.db2.gz HDWFZDGEOFPKCU-QMMMGPOBSA-N -1 1 389.091 3.502 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000765756372 856115520 /nfs/dbraw/zinc/11/55/20/856115520.db2.gz MVGWIDRWYIXKJF-AAEUAGOBSA-N -1 1 382.204 3.853 20 10 GHCDMM COc1ccccc1[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765771306 857705097 /nfs/dbraw/zinc/70/50/97/857705097.db2.gz ZVMWBABBWCZZTE-LBPRGKRZSA-N -1 1 378.266 3.973 20 10 GHCDMM C[C@@H]1CCCC[C@H]1OCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764764803 859594020 /nfs/dbraw/zinc/59/40/20/859594020.db2.gz RHNNQEJOGBQHDL-IUODEOHRSA-N -1 1 385.302 3.549 20 10 GHCDMM O=C(NCCCOc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000764764030 859600169 /nfs/dbraw/zinc/60/01/69/859600169.db2.gz XHLKTPUPCJJOCE-UHFFFAOYSA-N -1 1 397.244 3.562 20 10 GHCDMM COc1ccc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764765311 859601038 /nfs/dbraw/zinc/60/10/38/859601038.db2.gz BKHHFZYUIXKGNV-NSHDSACASA-N -1 1 379.254 3.724 20 10 GHCDMM CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000764805287 859616227 /nfs/dbraw/zinc/61/62/27/859616227.db2.gz KDOSLSLBIHAPOF-ZBFHGGJFSA-N -1 1 399.329 3.938 20 10 GHCDMM COc1cccc(-c2noc(NCc3cccc(Br)c3[O-])n2)c1 ZINC000764935553 859690356 /nfs/dbraw/zinc/69/03/56/859690356.db2.gz WROUHODJOGETQN-UHFFFAOYSA-N -1 1 376.210 3.825 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccccc1-n1cccn1 ZINC000765233196 859850168 /nfs/dbraw/zinc/85/01/68/859850168.db2.gz GXZNQWMFAQCMPB-UHFFFAOYSA-N -1 1 387.237 3.662 20 10 GHCDMM CC(=O)Nc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000765227141 859855962 /nfs/dbraw/zinc/85/59/62/859855962.db2.gz MSQOPZYASAXTBB-UHFFFAOYSA-N -1 1 396.216 3.574 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cc(F)c(F)c(F)c1 ZINC000765295837 859893801 /nfs/dbraw/zinc/89/38/01/859893801.db2.gz VDINAOHPAAATDP-UHFFFAOYSA-N -1 1 375.144 3.894 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000792702900 881628737 /nfs/dbraw/zinc/62/87/37/881628737.db2.gz HVEKRPOYQBBTQN-UHFFFAOYSA-N -1 1 379.381 3.814 20 10 GHCDMM CC(C)CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000745189030 869355085 /nfs/dbraw/zinc/35/50/85/869355085.db2.gz DGUYQXKGRQWURH-UHFFFAOYSA-N -1 1 376.478 3.605 20 10 GHCDMM CCOC(=O)c1c(NC(=O)c2ccc(O)c([O-])c2Cl)sc2c1CCC2 ZINC001193210405 870946609 /nfs/dbraw/zinc/94/66/09/870946609.db2.gz YKLSFCAZZJDDRE-UHFFFAOYSA-N -1 1 381.837 3.730 20 10 GHCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001193232443 870962586 /nfs/dbraw/zinc/96/25/86/870962586.db2.gz JTOWRDRDXBQNFW-UHFFFAOYSA-N -1 1 398.887 3.613 20 10 GHCDMM O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)c1ccc(O)c([O-])c1Cl ZINC001193236608 870964611 /nfs/dbraw/zinc/96/46/11/870964611.db2.gz JJHWRWPTTRMDDQ-UHFFFAOYSA-N -1 1 380.231 3.644 20 10 GHCDMM CC(C)CN1C(=O)C(=CNc2ccc3oc4ccccc4c3c2)C(=O)[N-]C1=S ZINC000920974349 882495897 /nfs/dbraw/zinc/49/58/97/882495897.db2.gz IMKQSEQLNMQJTD-YBEGLDIGSA-N -1 1 393.468 3.781 20 10 GHCDMM CC(C)(C)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000769645521 874211405 /nfs/dbraw/zinc/21/14/05/874211405.db2.gz VWWVKAYEVIDMDJ-MRXNPFEDSA-N -1 1 388.489 3.554 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000769688593 874232319 /nfs/dbraw/zinc/23/23/19/874232319.db2.gz APLRERULOFMWNK-UHFFFAOYSA-N -1 1 396.424 3.915 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN[C@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000858164084 882901806 /nfs/dbraw/zinc/90/18/06/882901806.db2.gz OVXDSBHMTJYHLL-CYBMUJFWSA-N -1 1 378.192 3.590 20 10 GHCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c([O-])cccc1F ZINC000772115011 875705465 /nfs/dbraw/zinc/70/54/65/875705465.db2.gz NNCCTFINHHFLJX-LBPRGKRZSA-N -1 1 380.366 3.532 20 10 GHCDMM Cc1c(NCc2cccc(Br)c2[O-])cccc1N1CCNC1=O ZINC000785557635 876107195 /nfs/dbraw/zinc/10/71/95/876107195.db2.gz TYSPOIYNPGVIQQ-UHFFFAOYSA-N -1 1 376.254 3.605 20 10 GHCDMM O=c1c(NCc2cc(Cl)c3cccnc3c2[O-])ccnn1-c1ccc(F)cc1 ZINC001168525568 877660065 /nfs/dbraw/zinc/66/00/65/877660065.db2.gz GGVKHKHDHYVEOL-UHFFFAOYSA-N -1 1 396.809 3.891 20 10 GHCDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)nc1 ZINC000093534457 912324690 /nfs/dbraw/zinc/32/46/90/912324690.db2.gz XDUSJUUTKYTMNY-GFCCVEGCSA-N -1 1 383.235 3.689 20 10 GHCDMM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000853038018 878764143 /nfs/dbraw/zinc/76/41/43/878764143.db2.gz NNTJSYXUDGLWMH-GOSISDBHSA-N -1 1 395.286 3.746 20 10 GHCDMM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)ccc(O)c1[O-] ZINC000789971700 879354524 /nfs/dbraw/zinc/35/45/24/879354524.db2.gz SREJQZIMUBQUGT-UHFFFAOYSA-N -1 1 377.375 3.710 20 10 GHCDMM O=[N+]([O-])c1cc2c(ncnc2NCc2cccc(Br)c2[O-])s1 ZINC000804654673 883201453 /nfs/dbraw/zinc/20/14/53/883201453.db2.gz WKNZWGYIJXJJKB-UHFFFAOYSA-N -1 1 381.211 3.680 20 10 GHCDMM Cc1ccc2nc(CNC(=O)NCc3cc(Cl)cc(Cl)c3[O-])[nH]c2c1 ZINC000805167389 883650723 /nfs/dbraw/zinc/65/07/23/883650723.db2.gz FDYAVUSUEACJKC-UHFFFAOYSA-N -1 1 379.247 3.883 20 10 GHCDMM C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)c3ccc([O-])cc3)cc2Cl)C1 ZINC000807477089 885501868 /nfs/dbraw/zinc/50/18/68/885501868.db2.gz OWLHNCMTCSICNX-CQSZACIVSA-N -1 1 386.879 3.781 20 10 GHCDMM O=C(CSc1ccc2c3c(cccc31)CC2)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591533 889153703 /nfs/dbraw/zinc/15/37/03/889153703.db2.gz TUAORYIIFQGBFB-UHFFFAOYSA-N -1 1 394.448 3.868 20 10 GHCDMM Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000747814570 890929302 /nfs/dbraw/zinc/92/93/02/890929302.db2.gz BZVCUADFZQEUAL-IBGZPJMESA-N -1 1 391.471 3.572 20 10 GHCDMM Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000747814570 890929307 /nfs/dbraw/zinc/92/93/07/890929307.db2.gz BZVCUADFZQEUAL-IBGZPJMESA-N -1 1 391.471 3.572 20 10 GHCDMM CCS(=O)(=O)Cc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000825315950 900088637 /nfs/dbraw/zinc/08/86/37/900088637.db2.gz ICHQNOUQPSYTIQ-UHFFFAOYSA-N -1 1 384.295 3.702 20 10 GHCDMM C[C@]1(CCNC(=O)NCc2cccc(Br)c2[O-])C[C@]1(F)Cl ZINC000845407007 902110591 /nfs/dbraw/zinc/11/05/91/902110591.db2.gz XCVRYTYAZFHHKA-UONOGXRCSA-N -1 1 379.657 3.659 20 10 GHCDMM CCOc1cc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000846448047 902980903 /nfs/dbraw/zinc/98/09/03/902980903.db2.gz XEHZEVKHDURMHG-UHFFFAOYSA-N -1 1 392.883 3.661 20 10 GHCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1Cl ZINC000267109571 909390747 /nfs/dbraw/zinc/39/07/47/909390747.db2.gz QZUUJTJWWPDEPP-UHFFFAOYSA-N -1 1 393.896 3.699 20 10 GHCDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccccc1O ZINC000774523065 911908438 /nfs/dbraw/zinc/90/84/38/911908438.db2.gz DRDOAYFQBISYHB-UHFFFAOYSA-N -1 1 399.428 3.713 20 10 GHCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1cc(Br)ccc1Cl ZINC001190897008 917637899 /nfs/dbraw/zinc/63/78/99/917637899.db2.gz RGKKWGUVDHPYJJ-UHFFFAOYSA-N -1 1 399.628 3.518 20 10 GHCDMM [O-]c1c(Br)cccc1CNc1cc(F)c(N2CCOCC2)cc1F ZINC000796529247 918075608 /nfs/dbraw/zinc/07/56/08/918075608.db2.gz NCXHCLGDGLEOOR-UHFFFAOYSA-N -1 1 399.235 3.882 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc([C@@H]2CCOC2)cc1 ZINC000297440369 919332133 /nfs/dbraw/zinc/33/21/33/919332133.db2.gz PRKMKDZEMNOESN-CQSZACIVSA-N -1 1 391.265 3.980 20 10 GHCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1N1C(=O)CCNC1=O ZINC000800293280 919866873 /nfs/dbraw/zinc/86/68/73/919866873.db2.gz ALTCKSRKAIGPLE-UHFFFAOYSA-N -1 1 377.803 3.552 20 10 GHCDMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(N4CCCCCC4)c3)ccc2[nH]1 ZINC000751126776 928040913 /nfs/dbraw/zinc/04/09/13/928040913.db2.gz FEDAYSGOFGMAAC-UHFFFAOYSA-N -1 1 397.500 3.709 20 10 GHCDMM O=C(COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccc([O-])c(O)c1 ZINC000782793760 931336358 /nfs/dbraw/zinc/33/63/58/931336358.db2.gz TVZUPUFBOSWEPP-UHFFFAOYSA-N -1 1 380.183 3.926 20 10 GHCDMM O=C(COC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc([O-])c(O)c1 ZINC001116830577 933782514 /nfs/dbraw/zinc/78/25/14/933782514.db2.gz ZZEMUYARCVJWIK-UHFFFAOYSA-N -1 1 399.786 3.978 20 10 GHCDMM CC[C@@](C[NH2+]Cc1c([O-])cccc1Br)(C(=O)[O-])c1ccccc1 ZINC001595167009 979717385 /nfs/dbraw/zinc/71/73/85/979717385.db2.gz CGVDKNVFYLVVID-SFHVURJKSA-N -1 1 378.266 3.677 20 10 GHCDMM C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001594577808 986427167 /nfs/dbraw/zinc/42/71/67/986427167.db2.gz QOTWRXIJNIHQTQ-MJBXVCDLSA-N -1 1 376.428 3.581 20 10 GHCDMM O=C(Nc1cccc2c(Cl)ccnc12)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155231797 1032464100 /nfs/dbraw/zinc/46/41/00/1032464100.db2.gz KOYLMJRUQVJMLP-UHFFFAOYSA-N -1 1 382.759 3.658 20 10 GHCDMM CC(=O)[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001228111432 1032788267 /nfs/dbraw/zinc/78/82/67/1032788267.db2.gz ULHPIDJIOUHAJX-OAQYLSRUSA-N -1 1 378.380 3.744 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCCC1(F)F ZINC000836523617 1023076794 /nfs/dbraw/zinc/07/67/94/1023076794.db2.gz LDIWADALWHVETP-LLVKDONJSA-N -1 1 377.229 3.779 20 10 GHCDMM Cc1ccnc(O[C@H]2CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001141377515 1024774223 /nfs/dbraw/zinc/77/42/23/1024774223.db2.gz RDMFTEFXAMUCRH-ZDUSSCGKSA-N -1 1 398.688 3.560 20 10 GHCDMM C[C@H](NCc1cc(Br)cc(Br)c1[O-])c1ccn(C)n1 ZINC000839190894 1025711676 /nfs/dbraw/zinc/71/16/76/1025711676.db2.gz KRAWQUSHFOORCQ-QMMMGPOBSA-N -1 1 389.091 3.502 20 10 GHCDMM C[C@@H]1[C@@H](CO)CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979088 1028019288 /nfs/dbraw/zinc/01/92/88/1028019288.db2.gz RISVYJQFUJIOGB-NXEZZACHSA-N -1 1 393.119 3.510 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000841430853 1028619148 /nfs/dbraw/zinc/61/91/48/1028619148.db2.gz WVWJOOFEPFPOGK-HZPDHXFCSA-N -1 1 390.277 3.591 20 10 GHCDMM CC[C@H](Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)C(=O)[O-] ZINC000841809845 1028959165 /nfs/dbraw/zinc/95/91/65/1028959165.db2.gz AOIPFAWAHIKMAV-HXUWFJFHSA-N -1 1 381.520 3.704 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001142517641 1029021795 /nfs/dbraw/zinc/02/17/95/1029021795.db2.gz UWVLEZBRDVJOPT-UHFFFAOYSA-N -1 1 389.402 3.583 20 10 GHCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3[O-])C2)cc1 ZINC001142797609 1029479724 /nfs/dbraw/zinc/47/97/24/1029479724.db2.gz DITSLIRYTNHFJQ-ZDUSSCGKSA-N -1 1 394.393 3.676 20 10 GHCDMM CC(C)(C)OC(=O)N1CCn2nc(NCc3cc(Cl)cc(F)c3[O-])cc2C1 ZINC001461782321 1069743946 /nfs/dbraw/zinc/74/39/46/1069743946.db2.gz KQLBHGBPLLHYRV-UHFFFAOYSA-N -1 1 396.850 3.744 20 10 GHCDMM CCCC(CCC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787775 1033714678 /nfs/dbraw/zinc/71/46/78/1033714678.db2.gz WLXPHGXHMSHWOX-UHFFFAOYSA-N -1 1 376.405 3.793 20 10 GHCDMM CCN1C(=O)C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])[C@@H]1c1cccc(C)c1 ZINC001159041604 1034397436 /nfs/dbraw/zinc/39/74/36/1034397436.db2.gz UIAMGKRGXNKESZ-APWZRJJASA-N -1 1 386.879 3.580 20 10 GHCDMM Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cc1Cl ZINC001231869835 1034956247 /nfs/dbraw/zinc/95/62/47/1034956247.db2.gz XDITXVSHCFBXHF-XFQXTVEOSA-N -1 1 388.895 3.807 20 10 GHCDMM COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419535 1039280561 /nfs/dbraw/zinc/28/05/61/1039280561.db2.gz BOVHFEVCTSDBMZ-AEFFLSMTSA-N -1 1 395.377 3.526 20 10 GHCDMM O=C1NCCN(Cc2cccc(C(F)(F)F)c2[O-])[C@H]1c1ccc(Cl)cc1 ZINC001233419233 1039280859 /nfs/dbraw/zinc/28/08/59/1039280859.db2.gz OVVBZPLWVMQGTO-HNNXBMFYSA-N -1 1 384.785 3.738 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]([C@H](C)C(=O)OCC)C(F)(F)F ZINC001233497524 1039391844 /nfs/dbraw/zinc/39/18/44/1039391844.db2.gz OHESDQAJJVEPFF-BJOHPYRUSA-N -1 1 378.343 3.590 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001233498842 1039393827 /nfs/dbraw/zinc/39/38/27/1039393827.db2.gz WMJBISNLTUDADE-HJPURHCSSA-N -1 1 399.487 3.749 20 10 GHCDMM CCCCN1C[C@@]2(F)CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@]2(F)C1=O ZINC001277830002 1039811352 /nfs/dbraw/zinc/81/13/52/1039811352.db2.gz LFEFFHIXRDFVTM-DLBZAZTESA-N -1 1 393.261 3.574 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CO[C@]2(C[C@H](C)CC[C@@H]2C(C)C)O1 ZINC001234473859 1040056278 /nfs/dbraw/zinc/05/62/78/1040056278.db2.gz KTSUVLQPSMGMOA-VKUNOELRSA-N -1 1 378.465 3.883 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001234473329 1040056468 /nfs/dbraw/zinc/05/64/68/1040056468.db2.gz DBAUHSMNNFPZBG-SJKOYZFVSA-N -1 1 379.453 3.715 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001235058060 1040547481 /nfs/dbraw/zinc/54/74/81/1040547481.db2.gz VJUNKXQTPFUKOZ-ZDUSSCGKSA-N -1 1 386.183 3.573 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC(Oc2ccc(F)cn2)CC1 ZINC001235306494 1040780251 /nfs/dbraw/zinc/78/02/51/1040780251.db2.gz GYZIHZVXPBROJE-UHFFFAOYSA-N -1 1 399.235 3.871 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001236664539 1041812405 /nfs/dbraw/zinc/81/24/05/1041812405.db2.gz VLNSTFUSDDEHQR-KBPBESRZSA-N -1 1 397.313 3.657 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN(Cc2cocn2)Cc2cocn2)c1 ZINC001236668818 1041815678 /nfs/dbraw/zinc/81/56/78/1041815678.db2.gz ICIZSYJDFJAECL-UHFFFAOYSA-N -1 1 378.226 3.642 20 10 GHCDMM COC(=O)c1cccc2c1CN(Cc1cc(C)cc(Br)c1[O-])CC2 ZINC001236671072 1041818111 /nfs/dbraw/zinc/81/81/11/1041818111.db2.gz SCCCWRYJPAQSCW-UHFFFAOYSA-N -1 1 390.277 3.808 20 10 GHCDMM COc1cccc(C(=O)N2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)c1 ZINC001236804444 1041906537 /nfs/dbraw/zinc/90/65/37/1041906537.db2.gz STSDCCMXFDYABB-UHFFFAOYSA-N -1 1 395.286 3.666 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCC[C@H]1c1nccs1 ZINC001237778866 1042365811 /nfs/dbraw/zinc/36/58/11/1042365811.db2.gz CFUDYGFKUIHJJM-LBPRGKRZSA-N -1 1 386.258 3.790 20 10 GHCDMM Cc1cc([C@H]2CCCN2Cc2cccc(I)c2[O-])no1 ZINC001237782615 1042366453 /nfs/dbraw/zinc/36/64/53/1042366453.db2.gz FPLQKSXCVGWSES-CQSZACIVSA-N -1 1 384.217 3.630 20 10 GHCDMM CCOCc1nn(CC2CC2)c2c1CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237936403 1042428066 /nfs/dbraw/zinc/42/80/66/1042428066.db2.gz CMFADRCZCGULSL-UHFFFAOYSA-N -1 1 393.890 3.886 20 10 GHCDMM CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2c1cnn2CC1CC1 ZINC001237936488 1042428213 /nfs/dbraw/zinc/42/82/13/1042428213.db2.gz CVSRZNNYFDWVIA-OAHLLOKOSA-N -1 1 393.890 3.927 20 10 GHCDMM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237937653 1042428992 /nfs/dbraw/zinc/42/89/92/1042428992.db2.gz STCHDGYRVXOWBD-UHFFFAOYSA-N -1 1 381.831 3.759 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1(F)F ZINC001237950620 1042435472 /nfs/dbraw/zinc/43/54/72/1042435472.db2.gz YKQXULFFAFGIFZ-AWEZNQCLSA-N -1 1 394.821 3.919 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1(F)F ZINC001237950621 1042435646 /nfs/dbraw/zinc/43/56/46/1042435646.db2.gz YKQXULFFAFGIFZ-CQSZACIVSA-N -1 1 394.821 3.919 20 10 GHCDMM COc1ccc(N2CCN(Cc3c(Br)ccc([O-])c3F)CC2)cc1 ZINC001238305058 1042548978 /nfs/dbraw/zinc/54/89/78/1042548978.db2.gz JDKYMGYPDGXYSG-UHFFFAOYSA-N -1 1 395.272 3.625 20 10 GHCDMM Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000740705586 1044060367 /nfs/dbraw/zinc/06/03/67/1044060367.db2.gz JAJCFUSMKSLJST-UHFFFAOYSA-N -1 1 376.217 3.506 20 10 GHCDMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1F)c1cccc2nsnc21 ZINC001260387930 1045486599 /nfs/dbraw/zinc/48/65/99/1045486599.db2.gz FLNZOYDQWXZVIV-UHFFFAOYSA-N -1 1 393.343 3.530 20 10 GHCDMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc2c1C(=O)c1cccc(Cl)c1C2=O ZINC001260740557 1045634655 /nfs/dbraw/zinc/63/46/55/1045634655.db2.gz RITJHHCZTYAQAY-SNVBAGLBSA-N -1 1 377.849 3.656 20 10 GHCDMM Cc1cc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)ccc1Br ZINC001261048075 1045868315 /nfs/dbraw/zinc/86/83/15/1045868315.db2.gz CWLOZFXAHSXHQN-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM COc1ccc([O-])c(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC001463155633 1070862318 /nfs/dbraw/zinc/86/23/18/1070862318.db2.gz IYZBMRJNYMXDQA-UHFFFAOYSA-N -1 1 391.489 3.630 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc(Cl)c(Br)c1 ZINC001305085231 1047888462 /nfs/dbraw/zinc/88/84/62/1047888462.db2.gz UMIHNHAKNMCOEW-UHFFFAOYSA-N -1 1 376.037 3.787 20 10 GHCDMM O=C(NCC/C=C\c1ccc(Br)cc1)c1c([O-])c(O)ccc1F ZINC001306881419 1048941936 /nfs/dbraw/zinc/94/19/36/1048941936.db2.gz KIWNFYKECKTLGE-IWQZZHSRSA-N -1 1 380.213 3.833 20 10 GHCDMM CC(C)OC(=O)C[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001308665116 1050052627 /nfs/dbraw/zinc/05/26/27/1050052627.db2.gz XCKFQXQYBQNHCR-GFCCVEGCSA-N -1 1 388.277 3.848 20 10 GHCDMM Cc1cc([O-])c(C[NH2+][C@@H](Cc2ccccc2Br)C(=O)[O-])cc1Cl ZINC001607700156 1126234238 /nfs/dbraw/zinc/23/42/38/1126234238.db2.gz VAIXXEUJQBGPRN-HNNXBMFYSA-N -1 1 398.684 3.902 20 10 GHCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000738347208 600054941 /nfs/dbraw/zinc/05/49/41/600054941.db2.gz GJXHAOBYMUTHLR-UHFFFAOYSA-N -1 1 392.433 3.757 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890763377 836746649 /nfs/dbraw/zinc/74/66/49/836746649.db2.gz UPIFQZJUTSPSHB-GXTWGEPZSA-N -1 1 382.888 3.745 20 10 GHCDMM CC(C)C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277585063 847135661 /nfs/dbraw/zinc/13/56/61/847135661.db2.gz SUBWLSFWAWTOPT-ZIAGYGMSSA-N -1 1 385.302 3.548 20 10 GHCDMM C[C@@H](NCc1nccn1C)c1cc(Br)cc(Br)c1[O-] ZINC000273557671 847370560 /nfs/dbraw/zinc/37/05/60/847370560.db2.gz HDWFZDGEOFPKCU-MRVPVSSYSA-N -1 1 389.091 3.502 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1nc(C2CCOCC2)ns1 ZINC000905417874 856313027 /nfs/dbraw/zinc/31/30/27/856313027.db2.gz XOTOFPSGLXJCEY-UHFFFAOYSA-N -1 1 388.262 3.651 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccccc2F)on1 ZINC000765763487 856808468 /nfs/dbraw/zinc/80/84/68/856808468.db2.gz BTBXPQAKBLVNNS-UHFFFAOYSA-N -1 1 391.196 3.879 20 10 GHCDMM CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765768126 857396462 /nfs/dbraw/zinc/39/64/62/857396462.db2.gz HKSHUOHGOJDFFB-HNNXBMFYSA-N -1 1 378.266 3.937 20 10 GHCDMM Cc1ccccc1C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764765992 859594694 /nfs/dbraw/zinc/59/46/94/859594694.db2.gz XLIKHDCENUZEEP-CYBMUJFWSA-N -1 1 377.282 3.894 20 10 GHCDMM O=C(NCCSc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000764757532 859596059 /nfs/dbraw/zinc/59/60/59/859596059.db2.gz MKDXNHQZEIOQGO-UHFFFAOYSA-N -1 1 381.295 3.746 20 10 GHCDMM CCO[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C12CCCC2 ZINC000764790933 859610982 /nfs/dbraw/zinc/61/09/82/859610982.db2.gz KXLJWZUEPWTEMX-GJZGRUSLSA-N -1 1 397.313 3.692 20 10 GHCDMM CCc1c(NC(=O)NCc2cccc(Br)c2[O-])cnn1CC(C)C ZINC000765317875 859911491 /nfs/dbraw/zinc/91/14/91/859911491.db2.gz FEBYHVURVGOYHZ-UHFFFAOYSA-N -1 1 395.301 3.891 20 10 GHCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])nn1[C@H](C)C1CC1 ZINC000765346936 859922490 /nfs/dbraw/zinc/92/24/90/859922490.db2.gz WGRWYQANKSSFMI-LLVKDONJSA-N -1 1 393.285 3.952 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](c1cccnc1)C1CC1 ZINC000765533983 860105476 /nfs/dbraw/zinc/10/54/76/860105476.db2.gz LYNIQGONLQDLMF-OAHLLOKOSA-N -1 1 376.254 3.500 20 10 GHCDMM Cc1cc(CCNC(=O)NCc2cccc(Br)c2[O-])cc(C)c1O ZINC000765562817 860187169 /nfs/dbraw/zinc/18/71/69/860187169.db2.gz KDPBKXQJBRUBNH-UHFFFAOYSA-N -1 1 393.281 3.519 20 10 GHCDMM COc1ccc(S[C@@H](C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765727245 860482921 /nfs/dbraw/zinc/48/29/21/860482921.db2.gz LAGZJWUHGONAFO-NSHDSACASA-N -1 1 396.306 3.960 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1SCCc2sccc21 ZINC000765728269 860493276 /nfs/dbraw/zinc/49/32/76/860493276.db2.gz FQRBBSDBYPQSCE-CQSZACIVSA-N -1 1 384.320 3.863 20 10 GHCDMM O=C(COc1ccc2c(c1)CCCC2)NCc1cccc(Br)c1[O-] ZINC000765736488 860526914 /nfs/dbraw/zinc/52/69/14/860526914.db2.gz MMLXALQXNVYGNE-UHFFFAOYSA-N -1 1 390.277 3.729 20 10 GHCDMM CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(Br)c1[O-] ZINC000765746985 860560218 /nfs/dbraw/zinc/56/02/18/860560218.db2.gz ISDKOPOSOBVUNH-CQSZACIVSA-N -1 1 382.229 3.768 20 10 GHCDMM CCCOc1cc(OC)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765748650 860563422 /nfs/dbraw/zinc/56/34/22/860563422.db2.gz ZDGJWNHBRKSNJU-UHFFFAOYSA-N -1 1 394.265 3.882 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cncnc1-c1ccccc1 ZINC000765751153 860565517 /nfs/dbraw/zinc/56/55/17/860565517.db2.gz PWRYSBBCTDKNQD-UHFFFAOYSA-N -1 1 384.233 3.542 20 10 GHCDMM COc1ccccc1C1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765748573 860566142 /nfs/dbraw/zinc/56/61/42/860566142.db2.gz WVIOBSPTDWWJQX-UHFFFAOYSA-N -1 1 376.250 3.511 20 10 GHCDMM Cc1ccc(/C=C/S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766198935 863844936 /nfs/dbraw/zinc/84/49/36/863844936.db2.gz AXTACYADLAIYDE-MDZDMXLPSA-N -1 1 382.279 3.553 20 10 GHCDMM CCOC(=O)c1cc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc2o1 ZINC001193232468 870962631 /nfs/dbraw/zinc/96/26/31/870962631.db2.gz KYRHWMOVWQYSKJ-UHFFFAOYSA-N -1 1 375.764 3.926 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232211 870962756 /nfs/dbraw/zinc/96/27/56/870962756.db2.gz FUCMDBWRWIOQNC-XBFCOCLRSA-N -1 1 395.883 3.866 20 10 GHCDMM CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000766893153 872062955 /nfs/dbraw/zinc/06/29/55/872062955.db2.gz ZWWUGUIEPHIILE-UHFFFAOYSA-N -1 1 390.244 3.677 20 10 GHCDMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001195881786 872734825 /nfs/dbraw/zinc/73/48/25/872734825.db2.gz INIWLGMQOJNMBU-UHFFFAOYSA-N -1 1 379.787 3.851 20 10 GHCDMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000852604112 878460505 /nfs/dbraw/zinc/46/05/05/878460505.db2.gz AYQUMLRORCYTBK-DZGCQCFKSA-N -1 1 391.265 3.519 20 10 GHCDMM C[C@H](NC(c1ccnn1C)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858585006 883215234 /nfs/dbraw/zinc/21/52/34/883215234.db2.gz YJYKLNXVQFXZFS-JTQLQIEISA-N -1 1 380.279 3.606 20 10 GHCDMM Cc1[nH]c2ccc(-c3noc(-c4cc(NS(C)(=O)=O)ccc4[O-])n3)cc2c1C ZINC000761780104 884262535 /nfs/dbraw/zinc/26/25/35/884262535.db2.gz WPTVQCTWAORMFK-UHFFFAOYSA-N -1 1 398.444 3.579 20 10 GHCDMM Cc1ccccc1CO[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000861332544 885404109 /nfs/dbraw/zinc/40/41/09/885404109.db2.gz GMGFRMOHUVDACN-ZDUSSCGKSA-N -1 1 378.266 3.685 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1[O-] ZINC000747470206 886159525 /nfs/dbraw/zinc/15/95/25/886159525.db2.gz ACASLDQETXWSEV-QHCPKHFHSA-N -1 1 381.472 3.721 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1[O-] ZINC000747470206 886159531 /nfs/dbraw/zinc/15/95/31/886159531.db2.gz ACASLDQETXWSEV-QHCPKHFHSA-N -1 1 381.472 3.721 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4ccccc4c3)no2)c1 ZINC000809534187 887521695 /nfs/dbraw/zinc/52/16/95/887521695.db2.gz DJPOELHKGNOXGY-UHFFFAOYSA-N -1 1 381.413 3.634 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000867831042 889183692 /nfs/dbraw/zinc/18/36/92/889183692.db2.gz OAZWMWZELNGPOC-ONXXMXGDSA-N -1 1 380.282 3.556 20 10 GHCDMM CC1(C)C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811777226 889949455 /nfs/dbraw/zinc/94/94/55/889949455.db2.gz AZFVAIUZFBGUJC-DENIHFKCSA-N -1 1 381.472 3.718 20 10 GHCDMM CC1(C)C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811777226 889949473 /nfs/dbraw/zinc/94/94/73/889949473.db2.gz AZFVAIUZFBGUJC-DENIHFKCSA-N -1 1 381.472 3.718 20 10 GHCDMM COCc1cc(NCc2cccc(Br)c2[O-])cc(C(=O)OC)c1 ZINC000814176545 892335927 /nfs/dbraw/zinc/33/59/27/892335927.db2.gz RNFQMBLAGZOCCW-UHFFFAOYSA-N -1 1 380.238 3.700 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000774874315 913849938 /nfs/dbraw/zinc/84/99/38/913849938.db2.gz BLXCELFWQRFABL-INIZCTEOSA-N -1 1 396.802 3.675 20 10 GHCDMM COCCN1C(=O)CCc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc21 ZINC000816574686 894953437 /nfs/dbraw/zinc/95/34/37/894953437.db2.gz POFZBHLFXXGGMN-UHFFFAOYSA-N -1 1 378.831 3.722 20 10 GHCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@@H]1/C=C\c1cccs1)cc2=O ZINC000846258412 902832397 /nfs/dbraw/zinc/83/23/97/902832397.db2.gz HKTAFRWTTCQPMX-ZPIQOJFGSA-N -1 1 398.488 3.653 20 10 GHCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000216410541 904697650 /nfs/dbraw/zinc/69/76/50/904697650.db2.gz STJITKJPNYMAKO-UHFFFAOYSA-N -1 1 377.282 3.883 20 10 GHCDMM COc1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1OC ZINC001174017746 906790720 /nfs/dbraw/zinc/79/07/20/906790720.db2.gz NJIBECGIIMZKIE-UHFFFAOYSA-N -1 1 375.380 3.928 20 10 GHCDMM O=C(NC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC001180092795 909913114 /nfs/dbraw/zinc/91/31/14/909913114.db2.gz NXAAPFFSHQOZSZ-KRWDZBQOSA-N -1 1 376.859 3.969 20 10 GHCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(Br)c(Cl)c1 ZINC001189170430 916468389 /nfs/dbraw/zinc/46/83/89/916468389.db2.gz COXZPVKKXGKKNN-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM Cc1sc(C)c(S(=O)(=O)NCc2cccc(Br)c2[O-])c1C ZINC001189954597 917018329 /nfs/dbraw/zinc/01/83/29/917018329.db2.gz PTCJYSSDPWJTML-UHFFFAOYSA-N -1 1 390.324 3.620 20 10 GHCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)ccc1O ZINC000295187585 917194396 /nfs/dbraw/zinc/19/43/96/917194396.db2.gz KFHPMBOVVJPKKU-UHFFFAOYSA-N -1 1 389.473 3.637 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1[O-] ZINC000800499786 920194707 /nfs/dbraw/zinc/19/47/07/920194707.db2.gz JUGQROHHTUHDMC-AWEZNQCLSA-N -1 1 388.895 3.900 20 10 GHCDMM C[C@H](NCc1nc(CN(C)C)cs1)c1cc(Br)cc(F)c1[O-] ZINC000903222972 922868184 /nfs/dbraw/zinc/86/81/84/922868184.db2.gz QMQWFSOVUNDEEQ-VIFPVBQESA-N -1 1 388.306 3.663 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2ccccc2Cl)c1[O-] ZINC000750033361 927397606 /nfs/dbraw/zinc/39/76/06/927397606.db2.gz PUKWWAUTFDQKJN-UHFFFAOYSA-N -1 1 381.259 3.972 20 10 GHCDMM C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(Br)c(F)cc1[O-] ZINC000757610789 929744184 /nfs/dbraw/zinc/74/41/84/929744184.db2.gz HRYWINXNNLIUQV-VIFPVBQESA-N -1 1 379.229 3.753 20 10 GHCDMM C[C@@H](O)[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892268 930629995 /nfs/dbraw/zinc/62/99/95/930629995.db2.gz IVSDXELWYAQVDS-NXEZZACHSA-N -1 1 393.119 3.510 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1[O-] ZINC000781151277 930718186 /nfs/dbraw/zinc/71/81/86/930718186.db2.gz ZTYOZFBFQCFAOP-CQSZACIVSA-N -1 1 377.387 3.532 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1[O-] ZINC000781151277 930718202 /nfs/dbraw/zinc/71/82/02/930718202.db2.gz ZTYOZFBFQCFAOP-CQSZACIVSA-N -1 1 377.387 3.532 20 10 GHCDMM O=C(CCCOc1cccc(Cl)c1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783234269 931469695 /nfs/dbraw/zinc/46/96/95/931469695.db2.gz KFVKENBVKNLLLL-UHFFFAOYSA-N -1 1 399.226 3.990 20 10 GHCDMM COc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c(F)c2)cc1 ZINC000783533215 931573617 /nfs/dbraw/zinc/57/36/17/931573617.db2.gz LGKNDVLMQBETDV-UHFFFAOYSA-N -1 1 396.370 3.952 20 10 GHCDMM O=C(Cc1coc(-c2ccccc2)n1)NCc1cccc(Br)c1[O-] ZINC001116793599 933759618 /nfs/dbraw/zinc/75/96/18/933759618.db2.gz ACCXIQSMMFEOIQ-UHFFFAOYSA-N -1 1 387.233 3.669 20 10 GHCDMM COC(=O)c1c(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c2cc(F)ccc2n1C ZINC001593867128 955590995 /nfs/dbraw/zinc/59/09/95/955590995.db2.gz ZEBVMWSPFPIGRW-WMZOPIPTSA-N -1 1 396.418 3.507 20 10 GHCDMM CC(C)C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)CC(=O)[O-] ZINC001588892412 962206561 /nfs/dbraw/zinc/20/65/61/962206561.db2.gz KEAKLYIDZXOUAL-JTQLQIEISA-N -1 1 377.268 3.635 20 10 GHCDMM CC(C)(CNC(=O)NCc1cccc(Cl)c1[O-])c1ccc2c(c1)OCCO2 ZINC001221518546 1032446097 /nfs/dbraw/zinc/44/60/97/1032446097.db2.gz IOSJWDNFBSXFHH-UHFFFAOYSA-N -1 1 390.867 3.594 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC[C@H]1CCc2ccccc2O1 ZINC001228113963 1032790059 /nfs/dbraw/zinc/79/00/59/1032790059.db2.gz GIXVYKAZTRHMOR-QGZVFWFLSA-N -1 1 392.407 3.807 20 10 GHCDMM CCC(=O)[C@@H](CC)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228196371 1032835297 /nfs/dbraw/zinc/83/52/97/1032835297.db2.gz YDRXWSDOJFXLTO-MSOLQXFVSA-N -1 1 386.400 3.646 20 10 GHCDMM CCC(=O)[C@H](CC)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228196374 1032835528 /nfs/dbraw/zinc/83/55/28/1032835528.db2.gz YDRXWSDOJFXLTO-ROUUACIJSA-N -1 1 386.400 3.646 20 10 GHCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@@H]3CCC=CO3)c21 ZINC001228196226 1032835771 /nfs/dbraw/zinc/83/57/71/1032835771.db2.gz XIDLQUNZNOCJOE-KSSFIOAISA-N -1 1 384.384 3.581 20 10 GHCDMM [O-]c1c(F)cccc1CN1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001138124843 1024169238 /nfs/dbraw/zinc/16/92/38/1024169238.db2.gz AHKQFINBMZHSIW-SFHVURJKSA-N -1 1 385.483 3.664 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000840116681 1027224760 /nfs/dbraw/zinc/22/47/60/1027224760.db2.gz QCUIVIXDQXLQGD-UIFIKXQLSA-N -1 1 395.499 3.844 20 10 GHCDMM CN(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1Cl ZINC001223556790 1030635267 /nfs/dbraw/zinc/63/52/67/1030635267.db2.gz JDUVEUWJGOFGLQ-INIZCTEOSA-N -1 1 382.291 3.801 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](c1ccccc1)C(F)F ZINC001205469988 1033427164 /nfs/dbraw/zinc/42/71/64/1033427164.db2.gz FOLJYNFKWQMVJH-ZDUSSCGKSA-N -1 1 385.208 3.960 20 10 GHCDMM Cc1nc(C(=O)NCc2cccc(Cl)c2[O-])nn1-c1ccccc1C(C)C ZINC001159033047 1034392708 /nfs/dbraw/zinc/39/27/08/1034392708.db2.gz ACXIWNPSIJRLGR-UHFFFAOYSA-N -1 1 384.867 3.988 20 10 GHCDMM O=C(CNc1nnc(Cc2ccccc2)c2ccccc21)c1ccc([O-])c(O)c1 ZINC001159279743 1034520669 /nfs/dbraw/zinc/52/06/69/1034520669.db2.gz WQVYXFMUTNHZTR-UHFFFAOYSA-N -1 1 385.423 3.927 20 10 GHCDMM O=C([O-])c1ccc(CN2CCN(c3cccc(Cl)c3Cl)CC2)c(O)c1 ZINC001231447602 1034595283 /nfs/dbraw/zinc/59/52/83/1034595283.db2.gz WOODUEBRIXBKNF-UHFFFAOYSA-N -1 1 381.259 3.719 20 10 GHCDMM CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541431 1034761641 /nfs/dbraw/zinc/76/16/41/1034761641.db2.gz XERRDJNEBGBBQB-IBGZPJMESA-N -1 1 395.341 3.830 20 10 GHCDMM CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)c1 ZINC001231912847 1034987163 /nfs/dbraw/zinc/98/71/63/1034987163.db2.gz BGZHEJMSPDDWIG-OAHLLOKOSA-N -1 1 379.909 3.829 20 10 GHCDMM COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c(O)c1I ZINC001248489990 1035910792 /nfs/dbraw/zinc/91/07/92/1035910792.db2.gz SSTYTAVLLMHRBM-WDEREUQCSA-N -1 1 375.250 3.626 20 10 GHCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001233336236 1039138168 /nfs/dbraw/zinc/13/81/68/1039138168.db2.gz DOXGWGITVRPLKK-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F ZINC001233496411 1039389346 /nfs/dbraw/zinc/38/93/46/1039389346.db2.gz GGVGOCRNBWVJOG-ACJLOTCBSA-N -1 1 397.443 3.807 20 10 GHCDMM CCOC(=O)C(F)(F)[C@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccccc1 ZINC001234475648 1040058380 /nfs/dbraw/zinc/05/83/80/1040058380.db2.gz HKNNTQFJUNJGFL-QGZVFWFLSA-N -1 1 380.343 3.619 20 10 GHCDMM CCc1nnc(C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)o1 ZINC001235066773 1040556786 /nfs/dbraw/zinc/55/67/86/1040556786.db2.gz MYGMICURBZIWKU-UHFFFAOYSA-N -1 1 384.249 3.619 20 10 GHCDMM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277993105 1041801556 /nfs/dbraw/zinc/80/15/56/1041801556.db2.gz SMIWBQKSUGJRDE-BLVKFPJESA-N -1 1 399.318 3.634 20 10 GHCDMM CCOCc1noc2c1CN(Cc1cc(C)cc(Br)c1[O-])CC2 ZINC001236664896 1041811984 /nfs/dbraw/zinc/81/19/84/1041811984.db2.gz HCTWCOCHFIOXCN-UHFFFAOYSA-N -1 1 381.270 3.546 20 10 GHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001237079415 1042025812 /nfs/dbraw/zinc/02/58/12/1042025812.db2.gz CRYNJHNKCCGZSV-AWEZNQCLSA-N -1 1 396.318 3.954 20 10 GHCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2nn(CC3CC3)cc21 ZINC001237121314 1042049950 /nfs/dbraw/zinc/04/99/50/1042049950.db2.gz BPAMOKAMSFALBZ-AWEZNQCLSA-N -1 1 393.890 3.927 20 10 GHCDMM [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237620992 1042287065 /nfs/dbraw/zinc/28/70/65/1042287065.db2.gz ZRRZJTSFZQQJFF-LIRRHRJNSA-N -1 1 396.821 3.531 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC001237781343 1042366400 /nfs/dbraw/zinc/36/64/00/1042366400.db2.gz UWGBUXKZMWHIDN-MRXNPFEDSA-N -1 1 395.240 3.570 20 10 GHCDMM [O-]c1c(CN2CCCC3(COC3)C2)cc(Br)cc1C(F)(F)F ZINC001237784135 1042367423 /nfs/dbraw/zinc/36/74/23/1042367423.db2.gz QPCSEOUFHRRGEC-UHFFFAOYSA-N -1 1 380.204 3.786 20 10 GHCDMM O=C1CCC[C@@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@@H]12 ZINC001237786674 1042369134 /nfs/dbraw/zinc/36/91/34/1042369134.db2.gz PAULCXNDEPZRIV-BXKDBHETSA-N -1 1 392.215 3.975 20 10 GHCDMM [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237798846 1042375608 /nfs/dbraw/zinc/37/56/08/1042375608.db2.gz BTVPKZTXZPIIGC-OXJNMPFZSA-N -1 1 392.858 3.782 20 10 GHCDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(O)cc1C(F)(F)F)C(=O)C2 ZINC001258973702 1044913065 /nfs/dbraw/zinc/91/30/65/1044913065.db2.gz SOJZZOZBAVUANY-QFYYESIMSA-N -1 1 391.411 3.548 20 10 GHCDMM O=C(CCCCc1cccc(O)c1)NCc1cccc(Br)c1[O-] ZINC001297439111 1045523477 /nfs/dbraw/zinc/52/34/77/1045523477.db2.gz FELLSXKWUDHKLD-UHFFFAOYSA-N -1 1 378.266 3.890 20 10 GHCDMM O=S(=O)([N-]c1cc(F)cc(F)c1Cl)c1ccc(Cl)c2nonc21 ZINC001261072730 1045888968 /nfs/dbraw/zinc/88/89/68/1045888968.db2.gz DMUBQMWXWFLQNZ-UHFFFAOYSA-N -1 1 380.159 3.609 20 10 GHCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccccc2Oc2ccccc2)n1 ZINC000747654966 1047041766 /nfs/dbraw/zinc/04/17/66/1047041766.db2.gz UFFOIVQXBTVTRU-UHFFFAOYSA-N -1 1 381.461 3.899 20 10 GHCDMM CCc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1-c1ccccc1OC ZINC001305085121 1047888371 /nfs/dbraw/zinc/88/83/71/1047888371.db2.gz QUJLAAHPWLZBNP-UHFFFAOYSA-N -1 1 385.851 3.732 20 10 GHCDMM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001279675390 1047909721 /nfs/dbraw/zinc/90/97/21/1047909721.db2.gz XVSGVTNOTMZXRM-BETUJISGSA-N -1 1 397.327 3.788 20 10 GHCDMM CCCOc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(OC(F)F)c1 ZINC001306697430 1048827649 /nfs/dbraw/zinc/82/76/49/1048827649.db2.gz ZAHFFNZWPFIQCI-UHFFFAOYSA-N -1 1 385.338 3.557 20 10 GHCDMM O=C1CSc2cc(NCc3cc(Br)cc(F)c3[O-])ccc2N1 ZINC001308497033 1049990939 /nfs/dbraw/zinc/99/09/39/1049990939.db2.gz QRVDBXMNXKKBQR-UHFFFAOYSA-N -1 1 383.242 3.950 20 10 GHCDMM O=C1CC[C@@H](c2ccccc2NCc2cc(Br)cc(F)c2[O-])N1 ZINC001308923665 1050175802 /nfs/dbraw/zinc/17/58/02/1050175802.db2.gz WUHZCIQKWXNSCP-HNNXBMFYSA-N -1 1 379.229 3.857 20 10 GHCDMM O=C(NCc1ccc(N2CCCCC2=O)cc1)NCc1cccc(Cl)c1[O-] ZINC001311692268 1052335017 /nfs/dbraw/zinc/33/50/17/1052335017.db2.gz RZTYVHWAOKOFDI-UHFFFAOYSA-N -1 1 387.867 3.562 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](CF)c1ccc(F)cc1 ZINC001313185661 1052980539 /nfs/dbraw/zinc/98/05/39/1052980539.db2.gz SJECCCYPPLCEJV-AWEZNQCLSA-N -1 1 385.208 3.804 20 10 GHCDMM CCOc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC001323492509 1056976851 /nfs/dbraw/zinc/97/68/51/1056976851.db2.gz UZWSMDLKHUFYFR-UHFFFAOYSA-N -1 1 394.393 3.772 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001457036988 1062956493 /nfs/dbraw/zinc/95/64/93/1062956493.db2.gz OGZRTTVJCXLMMK-UHFFFAOYSA-N -1 1 384.819 3.661 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1[O-] ZINC001460770084 1069167865 /nfs/dbraw/zinc/16/78/65/1069167865.db2.gz ATKQCWNWTUPSGB-MRXNPFEDSA-N -1 1 396.915 3.983 20 10 GHCDMM COC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCCC1 ZINC001471543523 1073124198 /nfs/dbraw/zinc/12/41/98/1073124198.db2.gz FAFFGLTXWYBESY-UHFFFAOYSA-N -1 1 385.302 3.693 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccn(Cc2ccncc2)n1 ZINC001474064494 1074251757 /nfs/dbraw/zinc/25/17/57/1074251757.db2.gz HTRWQCXNTOLXOZ-UHFFFAOYSA-N -1 1 377.217 3.546 20 10 GHCDMM CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001474308195 1074334090 /nfs/dbraw/zinc/33/40/90/1074334090.db2.gz IDAZPTKQORDIHX-JTQLQIEISA-N -1 1 376.678 3.583 20 10 GHCDMM Fc1ccc2c(C3=CCN(c4ccc(Cl)c(-c5nnn[n-]5)n4)CC3)c[nH]c2c1 ZINC000737656024 598576597 /nfs/dbraw/zinc/57/65/97/598576597.db2.gz GAKHXUJSQBXWBC-UHFFFAOYSA-N -1 1 395.829 3.829 20 10 GHCDMM Fc1ccc2c(C3=CCN(c4ccc(Cl)c(-c5nn[n-]n5)n4)CC3)c[nH]c2c1 ZINC000737656024 598576598 /nfs/dbraw/zinc/57/65/98/598576598.db2.gz GAKHXUJSQBXWBC-UHFFFAOYSA-N -1 1 395.829 3.829 20 10 GHCDMM CC1CCN(c2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2)CC1 ZINC000736278950 598580240 /nfs/dbraw/zinc/58/02/40/598580240.db2.gz IEOKBBWTTSSAQP-UHFFFAOYSA-N -1 1 383.887 3.764 20 10 GHCDMM CC1CCN(c2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2)CC1 ZINC000736278950 598580241 /nfs/dbraw/zinc/58/02/41/598580241.db2.gz IEOKBBWTTSSAQP-UHFFFAOYSA-N -1 1 383.887 3.764 20 10 GHCDMM Cc1oc(C[N@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])cc1C(=O)[O-] ZINC000738967563 599853732 /nfs/dbraw/zinc/85/37/32/599853732.db2.gz YRTVFDRQNVYSTG-UHFFFAOYSA-N -1 1 395.411 3.560 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833030324 601893077 /nfs/dbraw/zinc/89/30/77/601893077.db2.gz UVKAGXLCVRBVET-QHCPKHFHSA-N -1 1 393.439 3.771 20 10 GHCDMM O=C(Cc1csc(CCC(F)(F)F)n1)NCc1cccc(Cl)c1[O-] ZINC000890763112 836739625 /nfs/dbraw/zinc/73/96/25/836739625.db2.gz NPNIIKYBEPUHBE-UHFFFAOYSA-N -1 1 378.803 3.856 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)ccc1O ZINC000235894244 836870189 /nfs/dbraw/zinc/87/01/89/836870189.db2.gz YDOZUVZMEGLQTE-UHFFFAOYSA-N -1 1 376.659 3.917 20 10 GHCDMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cccc(Br)c1[O-])N2 ZINC000106899672 842384881 /nfs/dbraw/zinc/38/48/81/842384881.db2.gz KBEOMBODWLIQGE-QGZVFWFLSA-N -1 1 389.249 3.892 20 10 GHCDMM Cc1csc([C@@H](C)CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277454463 846213437 /nfs/dbraw/zinc/21/34/37/846213437.db2.gz NOPRLIRZAMMWNX-VIFPVBQESA-N -1 1 384.299 3.523 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])C1(c2ccccc2)CCOCC1 ZINC000277564324 846991334 /nfs/dbraw/zinc/99/13/34/846991334.db2.gz PTICVCHZQQDGMU-UHFFFAOYSA-N -1 1 390.277 3.519 20 10 GHCDMM CC(C)(C)c1cnc(CCC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000277570844 847032740 /nfs/dbraw/zinc/03/27/40/847032740.db2.gz QPLWGVBKWLDOFC-UHFFFAOYSA-N -1 1 381.270 3.689 20 10 GHCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1nc(C)cs1 ZINC000277818371 848120071 /nfs/dbraw/zinc/12/00/71/848120071.db2.gz WAIXMPLEOMWPJE-GFCCVEGCSA-N -1 1 384.299 3.870 20 10 GHCDMM C[C@@H](c1ccccc1)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000910372959 851162237 /nfs/dbraw/zinc/16/22/37/851162237.db2.gz LWZXIGORXVWWHO-DZZUKKPASA-N -1 1 381.432 3.576 20 10 GHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(Br)cc1C ZINC000766049017 862607552 /nfs/dbraw/zinc/60/75/52/862607552.db2.gz YSNVSMHZSCXWQL-UHFFFAOYSA-N -1 1 398.278 3.775 20 10 GHCDMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(Br)c1[O-] ZINC000765755102 856008706 /nfs/dbraw/zinc/00/87/06/856008706.db2.gz ZQIMEVYVDKBEIR-LBPRGKRZSA-N -1 1 390.277 3.727 20 10 GHCDMM O=C(C[C@H](O)c1ccc(Cl)cc1)NCc1cccc(Br)c1[O-] ZINC000765765113 857013870 /nfs/dbraw/zinc/01/38/70/857013870.db2.gz NJYNYVWUDYJKKM-AWEZNQCLSA-N -1 1 384.657 3.548 20 10 GHCDMM CC1CCN(c2nc3ccccc3nc2NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001170316708 881347309 /nfs/dbraw/zinc/34/73/09/881347309.db2.gz ZLGWASPGBGCILX-UHFFFAOYSA-N -1 1 392.459 3.572 20 10 GHCDMM Cc1ccc(CCNC(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000764766844 859595141 /nfs/dbraw/zinc/59/51/41/859595141.db2.gz ISZFSFQIYAZOMD-UHFFFAOYSA-N -1 1 377.282 3.813 20 10 GHCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000764762455 859598070 /nfs/dbraw/zinc/59/80/70/859598070.db2.gz RSVKBJZUYWNZBU-UHFFFAOYSA-N -1 1 377.282 3.932 20 10 GHCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])Oc1ccccc1F ZINC000764791649 859611215 /nfs/dbraw/zinc/61/12/15/859611215.db2.gz OYUIBHCGNKZMNO-NSHDSACASA-N -1 1 397.244 3.561 20 10 GHCDMM Cc1cc(F)ccc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764795824 859611964 /nfs/dbraw/zinc/61/19/64/859611964.db2.gz AOSQUZIHJNNPMR-UHFFFAOYSA-N -1 1 381.245 3.644 20 10 GHCDMM CC(C)(C)OC1CC(CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764804853 859616922 /nfs/dbraw/zinc/61/69/22/859616922.db2.gz DBUZRSDFGLXDKS-UHFFFAOYSA-N -1 1 399.329 3.938 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(F)cc1F ZINC000764789472 859620071 /nfs/dbraw/zinc/62/00/71/859620071.db2.gz FSKKVBPNYHSWLO-SECBINFHSA-N -1 1 385.208 3.993 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2oc(=O)ccc2c1 ZINC000765258065 859874101 /nfs/dbraw/zinc/87/41/01/859874101.db2.gz MYMLZOQVBSBDBZ-UHFFFAOYSA-N -1 1 389.205 3.583 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(-c2ccncc2)s1 ZINC000765734951 860526121 /nfs/dbraw/zinc/52/61/21/860526121.db2.gz AEKUAVZLNNAKQN-UHFFFAOYSA-N -1 1 390.262 3.603 20 10 GHCDMM Cc1cc(OCC(=O)NCc2cccc(Br)c2[O-])ccc1Cl ZINC000765736515 860526771 /nfs/dbraw/zinc/52/67/71/860526771.db2.gz MWTZQRUBQFKKNR-UHFFFAOYSA-N -1 1 384.657 3.812 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000765746045 860558677 /nfs/dbraw/zinc/55/86/77/860558677.db2.gz CAGGJDVZVLJBRD-UHFFFAOYSA-N -1 1 399.244 3.644 20 10 GHCDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1OC(C)C ZINC000765750268 860563642 /nfs/dbraw/zinc/56/36/42/860563642.db2.gz FRFKNHUYRPJSRE-UHFFFAOYSA-N -1 1 394.265 3.881 20 10 GHCDMM C[C@@H]1CN(c2ccc(CNC(=O)c3c([O-])cccc3Cl)cc2F)C[C@@H](C)O1 ZINC000920453646 882115302 /nfs/dbraw/zinc/11/53/02/882115302.db2.gz IZEDTYBUNOKIDN-CHWSQXEVSA-N -1 1 392.858 3.728 20 10 GHCDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000793415544 882193133 /nfs/dbraw/zinc/19/31/33/882193133.db2.gz LXWSBBUTUKZXQH-UHFFFAOYSA-N -1 1 390.244 3.677 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccccc1 ZINC001193208998 870944614 /nfs/dbraw/zinc/94/46/14/870944614.db2.gz DXLRBLDLJIOCMR-HNNXBMFYSA-N -1 1 377.824 3.564 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC001168919109 871009991 /nfs/dbraw/zinc/00/99/91/871009991.db2.gz VDFRQZKLNMBIBG-GFCCVEGCSA-N -1 1 382.888 3.689 20 10 GHCDMM CC(C)c1cc(Br)cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001196010573 872810618 /nfs/dbraw/zinc/81/06/18/872810618.db2.gz NLPUYQJLOIFDDE-UHFFFAOYSA-N -1 1 392.249 3.596 20 10 GHCDMM O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000775716114 873103283 /nfs/dbraw/zinc/10/32/83/873103283.db2.gz PXSTYLKSOXPRTK-GOSISDBHSA-N -1 1 386.879 3.974 20 10 GHCDMM CCOc1cccc(CCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000529172819 875724218 /nfs/dbraw/zinc/72/42/18/875724218.db2.gz RTWYHNFPYUSMLX-UHFFFAOYSA-N -1 1 378.266 3.802 20 10 GHCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1nc(Cl)ccc1F ZINC000760178954 883067251 /nfs/dbraw/zinc/06/72/51/883067251.db2.gz YRSYRMJCOMMMBH-CYBMUJFWSA-N -1 1 398.265 3.628 20 10 GHCDMM C[C@@H](NCc1ncnn1-c1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000786936608 877066433 /nfs/dbraw/zinc/06/64/33/877066433.db2.gz GMBTXTDAOWSUJM-LLVKDONJSA-N -1 1 391.244 3.725 20 10 GHCDMM C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000852528163 878403528 /nfs/dbraw/zinc/40/35/28/878403528.db2.gz XGRYYFPKRXOFLO-MEDUHNTESA-N -1 1 375.266 3.682 20 10 GHCDMM CCOC(=O)[C@H](Cc1ccccc1)NCc1cc(C)cc(Br)c1[O-] ZINC000789514859 879034017 /nfs/dbraw/zinc/03/40/17/879034017.db2.gz DYRVWRWYDUTRRY-KRWDZBQOSA-N -1 1 392.293 3.727 20 10 GHCDMM O=C(NCc1ccccc1COCc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000790068795 879411864 /nfs/dbraw/zinc/41/18/64/879411864.db2.gz AJYLKWBTVOBXPE-UHFFFAOYSA-N -1 1 381.403 3.884 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC001299479569 912903073 /nfs/dbraw/zinc/90/30/73/912903073.db2.gz YCSGUNNKMNZXCX-CYBMUJFWSA-N -1 1 391.309 3.890 20 10 GHCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000747370374 885210832 /nfs/dbraw/zinc/21/08/32/885210832.db2.gz PTRIAZQFPRTOLY-UHFFFAOYSA-N -1 1 382.508 3.708 20 10 GHCDMM CO[C@H](C)c1nc(CNCc2cc(Br)cc(F)c2[O-])cs1 ZINC000883032632 897218008 /nfs/dbraw/zinc/21/80/08/897218008.db2.gz PHIGOQCHWWWOJK-MRVPVSSYSA-N -1 1 375.263 3.748 20 10 GHCDMM Cc1cc(Cl)nc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000800004386 898488376 /nfs/dbraw/zinc/48/83/76/898488376.db2.gz WIDHQOJROMBVOZ-UHFFFAOYSA-N -1 1 384.661 3.511 20 10 GHCDMM C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092585599 901500398 /nfs/dbraw/zinc/50/03/98/901500398.db2.gz KBTYVGZQAHNCNW-JTQLQIEISA-N -1 1 389.304 3.539 20 10 GHCDMM O=C(NCCC[C@H]1CC1(Cl)Cl)NCc1cccc(Br)c1[O-] ZINC000845675200 902294081 /nfs/dbraw/zinc/29/40/81/902294081.db2.gz RPFQSPCKBBYMGK-JTQLQIEISA-N -1 1 396.112 3.928 20 10 GHCDMM COC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])c1ccc(F)c(C)c1 ZINC000779178580 905135305 /nfs/dbraw/zinc/13/53/05/905135305.db2.gz PDTAPTNYZCPBIN-MRXNPFEDSA-N -1 1 396.256 3.915 20 10 GHCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(Oc2cccnc2)cc1 ZINC001188882374 916249607 /nfs/dbraw/zinc/24/96/07/916249607.db2.gz QKLGRFVPFDJGPA-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2cc(Br)cn2C)c1[O-] ZINC000758823698 930182099 /nfs/dbraw/zinc/18/20/99/930182099.db2.gz VMLLPPMICOBLKV-UHFFFAOYSA-N -1 1 385.689 3.981 20 10 GHCDMM O=C(COC(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000782475266 931235655 /nfs/dbraw/zinc/23/56/55/931235655.db2.gz PONTZZOBAICVKN-UHFFFAOYSA-N -1 1 391.301 3.705 20 10 GHCDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783745699 931641566 /nfs/dbraw/zinc/64/15/66/931641566.db2.gz PQIKLUCYXIGHOQ-LLVKDONJSA-N -1 1 382.334 3.721 20 10 GHCDMM CO[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1C ZINC000784668409 931971892 /nfs/dbraw/zinc/97/18/92/931971892.db2.gz OVAFKKBTHIVAKI-NOZJJQNGSA-N -1 1 393.119 3.774 20 10 GHCDMM CO[C@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1C ZINC000784668414 931971995 /nfs/dbraw/zinc/97/19/95/931971995.db2.gz OVAFKKBTHIVAKI-RNCFNFMXSA-N -1 1 393.119 3.774 20 10 GHCDMM O=C(NCc1ccc(N2CCCCCC2)nc1)NCc1cccc(Cl)c1[O-] ZINC001220902014 1032178708 /nfs/dbraw/zinc/17/87/08/1032178708.db2.gz QZKRUPXFEWHURU-UHFFFAOYSA-N -1 1 388.899 3.820 20 10 GHCDMM Cc1cc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cc(C(F)(F)F)c1 ZINC001155228800 1032464085 /nfs/dbraw/zinc/46/40/85/1032464085.db2.gz XVSQNOKLSCXRAA-UHFFFAOYSA-N -1 1 379.290 3.784 20 10 GHCDMM COC(=O)CC1CCC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001227577305 1032469172 /nfs/dbraw/zinc/46/91/72/1032469172.db2.gz JPYWJLUIDSZPBD-UHFFFAOYSA-N -1 1 394.423 3.668 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001227580132 1032470893 /nfs/dbraw/zinc/47/08/93/1032470893.db2.gz HCMNCYRCIHAVJL-QKFKETGDSA-N -1 1 394.423 3.622 20 10 GHCDMM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)NCc1cccc(Br)c1[O-] ZINC000935663659 1019026141 /nfs/dbraw/zinc/02/61/41/1019026141.db2.gz YHDRXNKJLNDRBZ-CMPLNLGQSA-N -1 1 396.203 3.661 20 10 GHCDMM COC1=CC[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@H](c2ccc(O)c(O)c2)O3)CC1 ZINC001228191224 1032833163 /nfs/dbraw/zinc/83/31/63/1032833163.db2.gz PCBHJFZWZXDKLS-DNVCBOLYSA-N -1 1 398.411 3.972 20 10 GHCDMM COCCN1C(=O)CCc2cc(N[C@@H](C)c3cc(F)cc(F)c3[O-])ccc21 ZINC000779083675 1020351124 /nfs/dbraw/zinc/35/11/24/1020351124.db2.gz PFSKSTXQEDICRL-LBPRGKRZSA-N -1 1 376.403 3.769 20 10 GHCDMM COc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1OC(C)C ZINC000834476469 1021215005 /nfs/dbraw/zinc/21/50/05/1021215005.db2.gz ZIAYJAJALBLGOM-UHFFFAOYSA-N -1 1 394.265 3.881 20 10 GHCDMM C[C@H](NCc1nn(C)cc1Br)c1cccc(C(F)(F)F)c1[O-] ZINC000834884419 1021612545 /nfs/dbraw/zinc/61/25/45/1021612545.db2.gz LMBYDIGQLRPWLR-QMMMGPOBSA-N -1 1 378.192 3.758 20 10 GHCDMM Cc1cncc(COCc2cnc3n2CCN(Cc2cccc(F)c2[O-])[C@H]3C)c1 ZINC001138127218 1024173847 /nfs/dbraw/zinc/17/38/47/1024173847.db2.gz TVSBZKOIXYBPKX-INIZCTEOSA-N -1 1 396.466 3.725 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])C[C@@H]1C(F)(F)F ZINC001138131351 1024186168 /nfs/dbraw/zinc/18/61/68/1024186168.db2.gz XRPXZDIAOGBYPJ-CYBMUJFWSA-N -1 1 378.366 3.515 20 10 GHCDMM CCOC(=O)C1(C)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141373237 1024762327 /nfs/dbraw/zinc/76/23/27/1024762327.db2.gz UAFGSPSAOIWIFA-UHFFFAOYSA-N -1 1 390.705 3.973 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001141375093 1024769302 /nfs/dbraw/zinc/76/93/02/1024769302.db2.gz WPOOAHADBRUSNZ-CYBMUJFWSA-N -1 1 382.632 3.808 20 10 GHCDMM Cc1ccc(-c2ccc(C(=O)NCc3cccc(Br)c3[O-])cc2)nn1 ZINC001156793254 1033243797 /nfs/dbraw/zinc/24/37/97/1033243797.db2.gz XFFYRDJCDDCLHT-UHFFFAOYSA-N -1 1 398.260 3.850 20 10 GHCDMM C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC001156792064 1033244102 /nfs/dbraw/zinc/24/41/02/1033244102.db2.gz LKTIYWRADCYDAF-NSHDSACASA-N -1 1 394.240 3.819 20 10 GHCDMM COc1ccc2cc(C(=O)NCc3cccc(Br)c3[O-])cnc2c1 ZINC001156790791 1033244297 /nfs/dbraw/zinc/24/42/97/1033244297.db2.gz GCQIPKANFFKQMN-UHFFFAOYSA-N -1 1 387.233 3.642 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCc2c(cnn2-c2ccccc2)C1 ZINC001139128836 1025940500 /nfs/dbraw/zinc/94/05/00/1025940500.db2.gz GEOLCBSTNJZIFE-UHFFFAOYSA-N -1 1 387.439 3.551 20 10 GHCDMM O=C1OC[C@@H]2[C@H]([N@H+](Cc3ccccc3)Cc3c(F)ccc(F)c3[O-])CCCN12 ZINC001139685270 1026538707 /nfs/dbraw/zinc/53/87/07/1026538707.db2.gz DAKJFMPLNNCASA-RTBURBONSA-N -1 1 388.414 3.656 20 10 GHCDMM COc1cnc(OC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)nc1 ZINC001203585372 1027452980 /nfs/dbraw/zinc/45/29/80/1027452980.db2.gz HRAVUTRJBQRDKM-UHFFFAOYSA-N -1 1 384.263 3.541 20 10 GHCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000840558071 1027616401 /nfs/dbraw/zinc/61/64/01/1027616401.db2.gz XEVOFEHDMFOHDB-CQSZACIVSA-N -1 1 384.524 3.524 20 10 GHCDMM CCOC(=O)COc1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001205311912 1033353650 /nfs/dbraw/zinc/35/36/50/1033353650.db2.gz MQOKRXSSCCRZDR-UHFFFAOYSA-N -1 1 398.228 3.848 20 10 GHCDMM Cc1cnc2ccccc2c1NC(=O)NCc1cccc(Br)c1[O-] ZINC001205822206 1033591387 /nfs/dbraw/zinc/59/13/87/1033591387.db2.gz ADJXMUFDZATEMA-UHFFFAOYSA-N -1 1 386.249 3.755 20 10 GHCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@@H]1CCC=CCCC1 ZINC001229785127 1033711086 /nfs/dbraw/zinc/71/10/86/1033711086.db2.gz FDRNWXWKHPFXNO-CYBMUJFWSA-N -1 1 386.400 3.713 20 10 GHCDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1cccs1 ZINC001229787238 1033714481 /nfs/dbraw/zinc/71/44/81/1033714481.db2.gz SWSLALBGNKWBBW-SECBINFHSA-N -1 1 388.397 3.647 20 10 GHCDMM Cc1c([O-])cc2c(c1O[C@H]1Cc3ccncc3[C@H]1C)C(=O)c1ccccc1C2=O ZINC001229828928 1033740213 /nfs/dbraw/zinc/74/02/13/1033740213.db2.gz IKFRBQAPPHILCZ-ODXCJYRJSA-N -1 1 385.419 3.978 20 10 GHCDMM O=C(NC[C@H]1CCCCN1Cc1ccc(F)c(F)c1[O-])Nc1ccccc1 ZINC001461885437 1069836254 /nfs/dbraw/zinc/83/62/54/1069836254.db2.gz DYYMLTLZGUDBGR-MRXNPFEDSA-N -1 1 375.419 3.847 20 10 GHCDMM CCN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@H]1c1cccc(C)c1 ZINC001159041606 1034397377 /nfs/dbraw/zinc/39/73/77/1034397377.db2.gz UIAMGKRGXNKESZ-QFBILLFUSA-N -1 1 386.879 3.580 20 10 GHCDMM Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231561169 1034713149 /nfs/dbraw/zinc/71/31/49/1034713149.db2.gz SCCUAQIVHZUABX-SFHVURJKSA-N -1 1 382.460 3.700 20 10 GHCDMM CC(C)[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231566923 1034716664 /nfs/dbraw/zinc/71/66/64/1034716664.db2.gz ULYWHNILSDRBPU-QGZVFWFLSA-N -1 1 392.496 3.700 20 10 GHCDMM CC(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231566923 1034716678 /nfs/dbraw/zinc/71/66/78/1034716678.db2.gz ULYWHNILSDRBPU-QGZVFWFLSA-N -1 1 392.496 3.700 20 10 GHCDMM Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cccc(Cl)c2[O-])n1 ZINC001231910105 1034984437 /nfs/dbraw/zinc/98/44/37/1034984437.db2.gz LAVGTHNTXFSUEZ-QKNQBKEWSA-N -1 1 388.895 3.698 20 10 GHCDMM [O-]c1cc(O)c(CN2CCOc3ccc(Br)cc3C2)cc1Cl ZINC001232266562 1037988472 /nfs/dbraw/zinc/98/84/72/1037988472.db2.gz WPDYHRABBHVVAK-UHFFFAOYSA-N -1 1 384.657 3.908 20 10 GHCDMM [O-]c1c(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417477 1039277658 /nfs/dbraw/zinc/27/76/58/1039277658.db2.gz VYUMDMFWKWNIHB-HNNXBMFYSA-N -1 1 395.425 3.666 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001234473327 1040055935 /nfs/dbraw/zinc/05/59/35/1040055935.db2.gz DBAUHSMNNFPZBG-PXAZEXFGSA-N -1 1 379.453 3.715 20 10 GHCDMM CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCOc1cc([O-])c(O)cc1C(C)=O ZINC001234476192 1040058283 /nfs/dbraw/zinc/05/82/83/1040058283.db2.gz LPLLWXZQFKEBDF-UKRRQHHQSA-N -1 1 379.453 3.859 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001235064034 1040551728 /nfs/dbraw/zinc/55/17/28/1040551728.db2.gz DFEJITFVNWSDGV-UHFFFAOYSA-N -1 1 398.247 3.917 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001236662990 1041810975 /nfs/dbraw/zinc/81/09/75/1041810975.db2.gz JMQLOLUWBASXPB-UHFFFAOYSA-N -1 1 397.313 3.658 20 10 GHCDMM Cn1cc2c(n1)CN(Cc1cc(Cl)c(Cl)cc1[O-])C[C@H]2COCC1CC1 ZINC001236789793 1041895180 /nfs/dbraw/zinc/89/51/80/1041895180.db2.gz KACQKSDXRCBJTF-AWEZNQCLSA-N -1 1 396.318 3.959 20 10 GHCDMM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1Cl ZINC001236802091 1041903771 /nfs/dbraw/zinc/90/37/71/1041903771.db2.gz OHXVNIOIQZDMEB-ZDUSSCGKSA-N -1 1 384.904 3.886 20 10 GHCDMM C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])Cc2nnc(C(F)(F)F)n21 ZINC001236805471 1041906479 /nfs/dbraw/zinc/90/64/79/1041906479.db2.gz ZAXXVGRVAUOJTO-SSDOTTSWSA-N -1 1 381.185 3.886 20 10 GHCDMM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237086677 1042029582 /nfs/dbraw/zinc/02/95/82/1042029582.db2.gz MNCGXPMSOJEHKJ-ZWKOTPCHSA-N -1 1 396.270 3.814 20 10 GHCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2cn(CC3CC3)nc21 ZINC001237120464 1042048441 /nfs/dbraw/zinc/04/84/41/1042048441.db2.gz DQERLHHSAYLZJR-HNNXBMFYSA-N -1 1 393.890 3.927 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001237121046 1042048895 /nfs/dbraw/zinc/04/88/95/1042048895.db2.gz IJLZQXMVBHVZMR-QANKJYHBSA-N -1 1 392.858 3.638 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C[C@@H]1F ZINC001237126693 1042054017 /nfs/dbraw/zinc/05/40/17/1042054017.db2.gz PBDQFEGUUOMJFU-QWHCGFSZSA-N -1 1 376.831 3.622 20 10 GHCDMM C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001237784065 1042367107 /nfs/dbraw/zinc/36/71/07/1042367107.db2.gz PEUTYPBTNFUGOV-NOZJJQNGSA-N -1 1 382.220 3.766 20 10 GHCDMM C[C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@@]1(C)O ZINC001237783475 1042367639 /nfs/dbraw/zinc/36/76/39/1042367639.db2.gz INRXZDQWUPHUJP-YMTOWFKASA-N -1 1 382.220 3.766 20 10 GHCDMM O=C1Nc2ccccc2CN1[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237802125 1042378129 /nfs/dbraw/zinc/37/81/29/1042378129.db2.gz LBAAVZKMWAXDTJ-HNNXBMFYSA-N -1 1 375.831 3.807 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2cnn(CC3CC3)c21 ZINC001237936701 1042428236 /nfs/dbraw/zinc/42/82/36/1042428236.db2.gz LIWMYUHJBOGARX-INIZCTEOSA-N -1 1 393.890 3.927 20 10 GHCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1F ZINC001259474324 1045185275 /nfs/dbraw/zinc/18/52/75/1045185275.db2.gz AWABGOPFNZGWRF-UHFFFAOYSA-N -1 1 395.411 3.710 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c(ccnc2Cl)o1 ZINC001297441700 1045524469 /nfs/dbraw/zinc/52/44/69/1045524469.db2.gz WNPPBYQOLPVCIF-UHFFFAOYSA-N -1 1 381.613 3.879 20 10 GHCDMM Cc1ccc2nc(NC(=O)NCc3cccc(Br)c3[O-])sc2n1 ZINC001311211878 1051944581 /nfs/dbraw/zinc/94/45/81/1051944581.db2.gz KOFPQSJXHCGCNU-UHFFFAOYSA-N -1 1 393.266 3.790 20 10 GHCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001313334600 1053021915 /nfs/dbraw/zinc/02/19/15/1053021915.db2.gz BGNLXHCXSUPBRQ-UHFFFAOYSA-N -1 1 391.462 3.899 20 10 GHCDMM CC(C)(C)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])nn1 ZINC001321158232 1056125945 /nfs/dbraw/zinc/12/59/45/1056125945.db2.gz UZBDDIZOGZMNOD-UHFFFAOYSA-N -1 1 379.258 3.564 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1ccccc1OC1CCCC1 ZINC001338812860 1058806006 /nfs/dbraw/zinc/80/60/06/1058806006.db2.gz KLDHWNSELBNJSB-UHFFFAOYSA-N -1 1 388.851 3.622 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)F)CC2(C)C)c1[O-] ZINC001459833225 1064236822 /nfs/dbraw/zinc/23/68/22/1064236822.db2.gz HRJPVPUUCDLJAV-UHFFFAOYSA-N -1 1 378.822 3.707 20 10 GHCDMM Cc1c2ccccc2[nH]c(=O)c1C(=O)NCc1cccc(Br)c1[O-] ZINC001467760186 1067456142 /nfs/dbraw/zinc/45/61/42/1067456142.db2.gz DDPCVWQMQMBLFB-UHFFFAOYSA-N -1 1 387.233 3.647 20 10 GHCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])N1CCc2ccccc21 ZINC001467764993 1067458180 /nfs/dbraw/zinc/45/81/80/1067458180.db2.gz VKMXEPHGXLUWMK-ZDUSSCGKSA-N -1 1 389.293 3.612 20 10 GHCDMM O=C([O-])c1ccc2c(C=C3SC(=S)N(c4ccc(F)cc4)C3=O)[nH]nc2c1 ZINC000765498918 1068114549 /nfs/dbraw/zinc/11/45/49/1068114549.db2.gz ANQCFHMWZFIKMI-OVCLIPMQSA-N -1 1 399.428 3.806 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001478467649 1078879889 /nfs/dbraw/zinc/87/98/89/1078879889.db2.gz QAWCCQSEAWQSIL-KBPBESRZSA-N -1 1 397.903 3.681 20 10 GHCDMM Cc1nc(SC(F)F)sc1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001472316924 1073417871 /nfs/dbraw/zinc/41/78/71/1073417871.db2.gz NFDRNRSXTOBMER-UHFFFAOYSA-N -1 1 378.853 3.984 20 10 GHCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1C(F)(F)F ZINC001475774114 1075018923 /nfs/dbraw/zinc/01/89/23/1075018923.db2.gz QSTCWTWDYWKJGN-UHFFFAOYSA-N -1 1 379.787 3.851 20 10 GHCDMM Cc1cc(Br)c([O-])c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000833898071 605912960 /nfs/dbraw/zinc/91/29/60/605912960.db2.gz QUPYZKZNIFGBHA-PBWFPOADSA-N -1 1 383.286 3.568 20 10 GHCDMM Cc1nc(CC(F)(F)F)sc1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890763333 836745611 /nfs/dbraw/zinc/74/56/11/836745611.db2.gz SGSROKGUVPWKFU-UHFFFAOYSA-N -1 1 378.803 3.774 20 10 GHCDMM CC(C)(c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1)C(F)(F)F ZINC000784989170 838408094 /nfs/dbraw/zinc/40/80/94/838408094.db2.gz NHQIAPNBPCJRRM-UHFFFAOYSA-N -1 1 382.334 3.977 20 10 GHCDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1O ZINC000326791089 845775147 /nfs/dbraw/zinc/77/51/47/845775147.db2.gz XDZQXGWQOOFKLW-UHFFFAOYSA-N -1 1 395.742 3.563 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(OC(F)(F)F)c1 ZINC000765765157 856998463 /nfs/dbraw/zinc/99/84/63/856998463.db2.gz ONACITROCFBMPK-UHFFFAOYSA-N -1 1 390.155 3.983 20 10 GHCDMM Cc1cc(C)c(I)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170315192 881345815 /nfs/dbraw/zinc/34/58/15/881345815.db2.gz TTXIMOHXOFYIFI-UHFFFAOYSA-N -1 1 397.212 3.614 20 10 GHCDMM COc1ccc(Cl)cc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764765520 859600509 /nfs/dbraw/zinc/60/05/09/859600509.db2.gz VEODRUITYDZBCE-UHFFFAOYSA-N -1 1 399.672 3.816 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCc1c(F)cccc1Cl ZINC000764768636 859603773 /nfs/dbraw/zinc/60/37/73/859603773.db2.gz ROOULUCSIUUJSG-UHFFFAOYSA-N -1 1 387.636 3.947 20 10 GHCDMM COc1cc2c(cc1F)ncnc2NCc1cccc(Br)c1[O-] ZINC000764934849 859690286 /nfs/dbraw/zinc/69/02/86/859690286.db2.gz ODMOFXJNRZASNZ-UHFFFAOYSA-N -1 1 378.201 3.858 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnn(-c2ccccc2)c1 ZINC000765293609 859899540 /nfs/dbraw/zinc/89/95/40/859899540.db2.gz IKGRETLJBUPFKM-UHFFFAOYSA-N -1 1 387.237 3.662 20 10 GHCDMM O=C([O-])c1ccc2c(C=C3SC(=S)N(c4ccccc4)C3=O)[nH]nc2c1 ZINC000765498885 860009521 /nfs/dbraw/zinc/00/95/21/860009521.db2.gz AMDXPIFCONCUHL-DHDCSXOGSA-N -1 1 381.438 3.667 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@H]1c1c(F)cccc1F ZINC000765731706 860500672 /nfs/dbraw/zinc/50/06/72/860500672.db2.gz KPRFXJBWKGOQJQ-MNOVXSKESA-N -1 1 382.204 3.853 20 10 GHCDMM O=C(NCc1cc(OC(F)(F)F)ccc1F)c1ccc(O)c([O-])c1Cl ZINC001193236497 870964646 /nfs/dbraw/zinc/96/46/46/870964646.db2.gz FNHUTVJUKNTXAM-UHFFFAOYSA-N -1 1 379.693 3.719 20 10 GHCDMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)ccc1O ZINC001194498451 871750232 /nfs/dbraw/zinc/75/02/32/871750232.db2.gz KIZPZKYMJOGNMC-UHFFFAOYSA-N -1 1 376.821 3.597 20 10 GHCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccncc2)c(C)c1 ZINC001196886534 873428473 /nfs/dbraw/zinc/42/84/73/873428473.db2.gz VPGWDKNYQBIHDW-UHFFFAOYSA-N -1 1 396.468 3.739 20 10 GHCDMM C[C@H](NC(c1nccn1C)c1nccn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000527948002 873794415 /nfs/dbraw/zinc/79/44/15/873794415.db2.gz PMINNUREBQKJJA-JTQLQIEISA-N -1 1 380.279 3.606 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](c1ccccn1)C1CCC1 ZINC000528173025 874193191 /nfs/dbraw/zinc/19/31/91/874193191.db2.gz DKGZALSNQUQSBU-INIZCTEOSA-N -1 1 390.281 3.890 20 10 GHCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000769724533 874254187 /nfs/dbraw/zinc/25/41/87/874254187.db2.gz FPDOSLHVCGWTEL-UHFFFAOYSA-N -1 1 377.282 3.883 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc(-c3ccoc3)no2)c1)c1cccs1 ZINC000771194938 875076290 /nfs/dbraw/zinc/07/62/90/875076290.db2.gz OHYOAWIUELPWMP-UHFFFAOYSA-N -1 1 389.414 3.565 20 10 GHCDMM Cc1c(NCc2cc(F)cc(F)c2[O-])cccc1C(=O)N1CCSCC1 ZINC001201202942 875558877 /nfs/dbraw/zinc/55/88/77/875558877.db2.gz YVAOWCUMFXBKIK-UHFFFAOYSA-N -1 1 378.444 3.780 20 10 GHCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc(Cl)c1Br ZINC000792476509 881133167 /nfs/dbraw/zinc/13/31/67/881133167.db2.gz XMERBNTXAWFIDH-UHFFFAOYSA-N -1 1 399.624 3.862 20 10 GHCDMM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236069 912779798 /nfs/dbraw/zinc/77/97/98/912779798.db2.gz IPLMKJDBONSKPO-QGZVFWFLSA-N -1 1 393.261 3.921 20 10 GHCDMM CC[C@@H](NCc1nnnn1-c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806133937 884353778 /nfs/dbraw/zinc/35/37/78/884353778.db2.gz FYEGFVKHEJXHOX-OAHLLOKOSA-N -1 1 378.263 3.916 20 10 GHCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cccc(Br)c1F ZINC000808115766 886026408 /nfs/dbraw/zinc/02/64/08/886026408.db2.gz ROYILSVELNOEOA-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM CC(C)(C)NS(=O)(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000864016102 887520678 /nfs/dbraw/zinc/52/06/78/887520678.db2.gz QVGNNVDIINIBLB-UHFFFAOYSA-N -1 1 386.876 3.874 20 10 GHCDMM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000810316257 888424454 /nfs/dbraw/zinc/42/44/54/888424454.db2.gz VFRYSQKCDYFPLP-UHFFFAOYSA-N -1 1 394.225 3.947 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1cnnc(-c2ccccc2)c1 ZINC000811459278 889618464 /nfs/dbraw/zinc/61/84/64/889618464.db2.gz BTFVIDUBWIRLOO-UHFFFAOYSA-N -1 1 384.233 3.542 20 10 GHCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(F)ccc([O-])c1F ZINC000289750130 914328304 /nfs/dbraw/zinc/32/83/04/914328304.db2.gz QPAVNFDPUJPPDN-LLVKDONJSA-N -1 1 398.356 3.671 20 10 GHCDMM C[S@](=O)c1ccccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001175306116 907490963 /nfs/dbraw/zinc/49/09/63/907490963.db2.gz AQWHCNOHFSFFCM-MHZLTWQESA-N -1 1 377.421 3.649 20 10 GHCDMM Cc1cc(CC(=O)N=c2ccnc3n(C)[n-]cc2-3)c(C)n1-c1ccc(Cl)cc1 ZINC000801703807 921404061 /nfs/dbraw/zinc/40/40/61/921404061.db2.gz XLSNYUNCGMYBPC-UHFFFAOYSA-N -1 1 393.878 3.584 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000267090484 909386093 /nfs/dbraw/zinc/38/60/93/909386093.db2.gz UGSYKEAIKGGTRJ-LBPRGKRZSA-N -1 1 395.908 3.845 20 10 GHCDMM O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1cccc(Cl)c1[O-] ZINC001180400746 910117416 /nfs/dbraw/zinc/11/74/16/910117416.db2.gz OQELASLOFHQROI-UHFFFAOYSA-N -1 1 395.842 3.972 20 10 GHCDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001180410487 910151588 /nfs/dbraw/zinc/15/15/88/910151588.db2.gz QOHDJDKQEWMYSL-DOMZBBRYSA-N -1 1 382.888 3.697 20 10 GHCDMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)n1-c1cccc(C(C)C)c1 ZINC000774005800 911227710 /nfs/dbraw/zinc/22/77/10/911227710.db2.gz UBGPEKQZIQQRRK-CQSZACIVSA-N -1 1 380.496 3.606 20 10 GHCDMM CCCCNS(=O)(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000796402473 916498798 /nfs/dbraw/zinc/49/87/98/916498798.db2.gz PEFHYGPNSQUCCR-UHFFFAOYSA-N -1 1 386.876 3.875 20 10 GHCDMM Nc1ccc(N(Cc2ccccc2)C(=O)c2cnc(-c3ccccn3)[n-]c2=O)cc1 ZINC001190632700 917464640 /nfs/dbraw/zinc/46/46/40/917464640.db2.gz MQDUXCUXFHMDED-UHFFFAOYSA-N -1 1 397.438 3.673 20 10 GHCDMM COc1c(N[C@H](C)c2cc(Br)cc(F)c2[O-])cccc1C(N)=O ZINC000757659545 929762076 /nfs/dbraw/zinc/76/20/76/929762076.db2.gz PYNQNYKCGJRSLN-MRVPVSSYSA-N -1 1 383.217 3.574 20 10 GHCDMM COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1C ZINC000758162018 929954131 /nfs/dbraw/zinc/95/41/31/929954131.db2.gz DOHPTYQYJAMPCQ-UHFFFAOYSA-N -1 1 390.244 3.595 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000781898151 931017581 /nfs/dbraw/zinc/01/75/81/931017581.db2.gz UVRLPCAUZFGYNU-UHFFFAOYSA-N -1 1 383.330 3.544 20 10 GHCDMM CO[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@@H](C)C1 ZINC000799738117 933105873 /nfs/dbraw/zinc/10/58/73/933105873.db2.gz RADDCKLJYHTKBL-JOYOIKCWSA-N -1 1 393.119 3.917 20 10 GHCDMM Cc1cncc(COCc2cnc3n2CCN(Cc2c([O-])cccc2F)[C@H]3C)c1 ZINC001137835286 935814724 /nfs/dbraw/zinc/81/47/24/935814724.db2.gz BGNKIVNFHULLHI-INIZCTEOSA-N -1 1 396.466 3.725 20 10 GHCDMM C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001594577800 986427319 /nfs/dbraw/zinc/42/73/19/986427319.db2.gz QOTWRXIJNIHQTQ-HZSPNIEDSA-N -1 1 376.428 3.581 20 10 GHCDMM CN(C)c1cc(F)c(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1F ZINC001598306177 991263969 /nfs/dbraw/zinc/26/39/69/991263969.db2.gz UGYRHSUIVUZZSC-LLVKDONJSA-N -1 1 381.448 3.565 20 10 GHCDMM O=C(NCc1cccc(OCC(F)(F)F)c1)NCc1cccc(Cl)c1[O-] ZINC001220891959 1032177020 /nfs/dbraw/zinc/17/70/20/1032177020.db2.gz DQJZAXJLBZUPDW-UHFFFAOYSA-N -1 1 388.773 3.986 20 10 GHCDMM O=C(N[C@H](c1ccccc1)C1CCCC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235105 1032466714 /nfs/dbraw/zinc/46/67/14/1032466714.db2.gz YJZSZBLKJNDWSU-HXUWFJFHSA-N -1 1 379.412 3.866 20 10 GHCDMM Cc1ccc(NCc2c([O-])ccc(Cl)c2F)c(C)c1S(=O)(=O)NC1CC1 ZINC000796426689 1021186500 /nfs/dbraw/zinc/18/65/00/1021186500.db2.gz BJYJFMZWKFLUHG-UHFFFAOYSA-N -1 1 398.887 3.854 20 10 GHCDMM [O-]c1cc(F)cc(F)c1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001140581019 1022001544 /nfs/dbraw/zinc/00/15/44/1022001544.db2.gz OXGVWIOSCJJQGS-IBGZPJMESA-N -1 1 395.400 3.803 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000827352079 1022066043 /nfs/dbraw/zinc/06/60/43/1022066043.db2.gz WJKVBDBHEMNHGS-HUUCEWRRSA-N -1 1 375.266 3.758 20 10 GHCDMM C[C@@H](NCc1nccn1CC(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756539540 1023705887 /nfs/dbraw/zinc/70/58/87/1023705887.db2.gz PXWXSRJGMUXOCE-MRVPVSSYSA-N -1 1 396.182 3.903 20 10 GHCDMM COC(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375161 1024768341 /nfs/dbraw/zinc/76/83/41/1024768341.db2.gz YBMSDOZUCLUMOV-SNVBAGLBSA-N -1 1 376.678 3.583 20 10 GHCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001139127017 1025938899 /nfs/dbraw/zinc/93/88/99/1025938899.db2.gz AZBSKUTUYGHGHT-UHFFFAOYSA-N -1 1 398.890 3.778 20 10 GHCDMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001141723029 1026341503 /nfs/dbraw/zinc/34/15/03/1026341503.db2.gz MKAXCXACCSDJHV-UHFFFAOYSA-N -1 1 378.819 3.937 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000842614365 1029414868 /nfs/dbraw/zinc/41/48/68/1029414868.db2.gz HRZXHQQRCQEDMG-PXNSSMCTSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000842614365 1029414879 /nfs/dbraw/zinc/41/48/79/1029414879.db2.gz HRZXHQQRCQEDMG-PXNSSMCTSA-N -1 1 381.472 3.720 20 10 GHCDMM CC(C)O[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000843413383 1029988236 /nfs/dbraw/zinc/98/82/36/1029988236.db2.gz HIUCWTKEOLIJRY-GFCCVEGCSA-N -1 1 393.119 3.917 20 10 GHCDMM Cc1cnc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c(Br)c1 ZINC001216954076 1030027011 /nfs/dbraw/zinc/02/70/11/1030027011.db2.gz NYDWUDGYZBFMKC-UHFFFAOYSA-N -1 1 382.601 3.934 20 10 GHCDMM Cc1ccc(Cl)c(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1 ZINC001217054686 1030127195 /nfs/dbraw/zinc/12/71/95/1030127195.db2.gz IXDGJDVNMNQJST-UHFFFAOYSA-N -1 1 385.851 3.903 20 10 GHCDMM C[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1cccnc1F ZINC001229197822 1033335248 /nfs/dbraw/zinc/33/52/48/1033335248.db2.gz QTUNNZSHUCDYIP-JTQLQIEISA-N -1 1 379.343 3.547 20 10 GHCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@H]1CCC=CCCC1 ZINC001229785129 1033711519 /nfs/dbraw/zinc/71/15/19/1033711519.db2.gz FDRNWXWKHPFXNO-ZDUSSCGKSA-N -1 1 386.400 3.713 20 10 GHCDMM Cc1c(Br)cc(C(=O)NCc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001159033730 1034392004 /nfs/dbraw/zinc/39/20/04/1034392004.db2.gz NECIBUKVLBLPPG-UHFFFAOYSA-N -1 1 399.628 3.955 20 10 GHCDMM CSc1ccc(Oc2cc(NCC(=O)c3ccc([O-])c(O)c3)ncn2)cc1 ZINC001159279547 1034519653 /nfs/dbraw/zinc/51/96/53/1034519653.db2.gz TXSUGPSMGKJCBZ-UHFFFAOYSA-N -1 1 383.429 3.697 20 10 GHCDMM Cc1ccccc1Oc1nc(Cl)ncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159280281 1034520474 /nfs/dbraw/zinc/52/04/74/1034520474.db2.gz JIVSEMKBVKIUDQ-UHFFFAOYSA-N -1 1 385.807 3.937 20 10 GHCDMM O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1c(F)ccc(O)c1[O-] ZINC001161655700 1035280456 /nfs/dbraw/zinc/28/04/56/1035280456.db2.gz COJNRZBCOZCFGN-UHFFFAOYSA-N -1 1 394.240 3.752 20 10 GHCDMM COc1cc(O)c(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1Cl ZINC001232265746 1037986581 /nfs/dbraw/zinc/98/65/81/1037986581.db2.gz FFQVEXIWRPCXBI-UHFFFAOYSA-N -1 1 382.888 3.640 20 10 GHCDMM COC(=O)c1cccc(CN(C)Cc2c([O-])cc(Br)cc2F)c1 ZINC001233030174 1038782852 /nfs/dbraw/zinc/78/28/52/1038782852.db2.gz PRKOVVKASPRGDU-UHFFFAOYSA-N -1 1 382.229 3.712 20 10 GHCDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416811 1039275321 /nfs/dbraw/zinc/27/53/21/1039275321.db2.gz XFPJKMWMDBUGSM-LSDHHAIUSA-N -1 1 386.414 3.995 20 10 GHCDMM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@]2(F)C1=O ZINC001277831064 1039829551 /nfs/dbraw/zinc/82/95/51/1039829551.db2.gz UHRMFMQJELCWGJ-GPNNCHTKSA-N -1 1 393.261 3.572 20 10 GHCDMM CCc1nc(C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)no1 ZINC001235067206 1040557125 /nfs/dbraw/zinc/55/71/25/1040557125.db2.gz SQPFAZAUWQMNIK-UHFFFAOYSA-N -1 1 384.249 3.619 20 10 GHCDMM CCC(=O)N(CC)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235076590 1040564908 /nfs/dbraw/zinc/56/49/08/1040564908.db2.gz YFCJRTDYNQZBCD-UHFFFAOYSA-N -1 1 387.293 3.517 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001235301219 1040775229 /nfs/dbraw/zinc/77/52/29/1040775229.db2.gz DUHASVXDEHJMNX-OAHLLOKOSA-N -1 1 381.245 3.732 20 10 GHCDMM Cc1cccnc1O[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235309895 1040784413 /nfs/dbraw/zinc/78/44/13/1040784413.db2.gz YKJQFIQLSPZQAB-CQSZACIVSA-N -1 1 381.245 3.651 20 10 GHCDMM COc1ccc(CN2CCCn3cnc(Cn4cccc4)c3C2)c([O-])c1Cl ZINC001236810989 1041911289 /nfs/dbraw/zinc/91/12/89/1041911289.db2.gz DESQALFCWHIJJQ-UHFFFAOYSA-N -1 1 386.883 3.506 20 10 GHCDMM Cc1ccccc1C(=O)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237084666 1042028910 /nfs/dbraw/zinc/02/89/10/1042028910.db2.gz NDOVDKHDKWVCLT-UHFFFAOYSA-N -1 1 379.287 3.965 20 10 GHCDMM CCn1ncc2c1CN(Cc1c([O-])ccc(F)c1Cl)C[C@H]2COCC1CC1 ZINC001237125415 1042053252 /nfs/dbraw/zinc/05/32/52/1042053252.db2.gz ZDUGPIWPSUAFOW-AWEZNQCLSA-N -1 1 393.890 3.927 20 10 GHCDMM CCC1(O)CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237791782 1042372648 /nfs/dbraw/zinc/37/26/48/1042372648.db2.gz MAYNDDLYQLSRRD-UHFFFAOYSA-N -1 1 382.220 3.910 20 10 GHCDMM O=C(c1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259349586 1045094579 /nfs/dbraw/zinc/09/45/79/1045094579.db2.gz RNRORERVADCTFA-UHFFFAOYSA-N -1 1 397.427 3.792 20 10 GHCDMM O=C1c2cccc([N-]S(=O)(=O)C3CCCC3)c2C(=O)c2cccc(Cl)c21 ZINC001259801351 1045308449 /nfs/dbraw/zinc/30/84/49/1045308449.db2.gz BEZDYROPPADIQR-UHFFFAOYSA-N -1 1 389.860 3.800 20 10 GHCDMM Cc1ccc2c(c1[N-]S(=O)(=O)C1CCCCC1)C(=O)c1ccccc1C2=O ZINC001259814558 1045311655 /nfs/dbraw/zinc/31/16/55/1045311655.db2.gz FUDHDPPVQGRENC-UHFFFAOYSA-N -1 1 383.469 3.845 20 10 GHCDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1F ZINC001463063395 1070767055 /nfs/dbraw/zinc/76/70/55/1070767055.db2.gz BZZJNIOXQULLRT-UHFFFAOYSA-N -1 1 390.402 3.568 20 10 GHCDMM CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001305084535 1047887368 /nfs/dbraw/zinc/88/73/68/1047887368.db2.gz KTFRQHPKFJOFLQ-SWLSCSKDSA-N -1 1 384.904 3.847 20 10 GHCDMM COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000732114669 1048967922 /nfs/dbraw/zinc/96/79/22/1048967922.db2.gz KNFAXHDSDZFSBV-UHFFFAOYSA-N -1 1 394.431 3.845 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1[N+](=O)[O-] ZINC000755987064 1050906435 /nfs/dbraw/zinc/90/64/35/1050906435.db2.gz XZDVEFFGCPVLCR-UHFFFAOYSA-N -1 1 380.422 3.542 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001323708052 1057003616 /nfs/dbraw/zinc/00/36/16/1057003616.db2.gz VCCIFRLZQXTTBC-UHFFFAOYSA-N -1 1 393.165 3.502 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001337951348 1058340903 /nfs/dbraw/zinc/34/09/03/1058340903.db2.gz MYSZYAFWWJKBGF-UHFFFAOYSA-N -1 1 393.896 3.805 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(Br)cc2c1OCCO2 ZINC001457038649 1062957355 /nfs/dbraw/zinc/95/73/55/1062957355.db2.gz YRHNRUITDRFPOO-UHFFFAOYSA-N -1 1 398.640 3.509 20 10 GHCDMM Cc1cc(CCNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(C)n1-c1ccccc1 ZINC001348458753 1063089233 /nfs/dbraw/zinc/08/92/33/1063089233.db2.gz NPGMNTJRSCLJHJ-UHFFFAOYSA-N -1 1 392.503 3.994 20 10 GHCDMM O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1c(F)ccc(O)c1[O-] ZINC001457906616 1063437245 /nfs/dbraw/zinc/43/72/45/1063437245.db2.gz KOWLDYZZNCZZLM-UHFFFAOYSA-N -1 1 399.340 3.987 20 10 GHCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1c2ncsc2ccc1Cl ZINC001464789895 1065213491 /nfs/dbraw/zinc/21/34/91/1065213491.db2.gz PKVGSOAVYPGTTE-UHFFFAOYSA-N -1 1 389.285 3.787 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc([N+](=O)[O-])cc1F ZINC000766237212 1068143059 /nfs/dbraw/zinc/14/30/59/1068143059.db2.gz VSTYPKOPKXVBAM-UHFFFAOYSA-N -1 1 384.161 3.524 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cccc(F)c3F)CC2)c1[O-] ZINC001473440542 1073963995 /nfs/dbraw/zinc/96/39/95/1073963995.db2.gz UPACGXPFOMXFEH-UHFFFAOYSA-N -1 1 380.822 3.849 20 10 GHCDMM O=S(=O)(c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1)N1CCCCC1 ZINC001474260866 1074314928 /nfs/dbraw/zinc/31/49/28/1074314928.db2.gz IGQDKLXIHKDGEN-UHFFFAOYSA-N -1 1 398.887 3.971 20 10 GHCDMM CC(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000820192355 599307807 /nfs/dbraw/zinc/30/78/07/599307807.db2.gz KYCHITAEBUNCJW-OQLLNIDSSA-N -1 1 397.485 3.989 20 10 GHCDMM CC(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000820192355 599307808 /nfs/dbraw/zinc/30/78/08/599307808.db2.gz KYCHITAEBUNCJW-OQLLNIDSSA-N -1 1 397.485 3.989 20 10 GHCDMM C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694597 605247657 /nfs/dbraw/zinc/24/76/57/605247657.db2.gz OOOLASOTXQUPGJ-AWEZNQCLSA-N -1 1 377.721 3.860 20 10 GHCDMM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000820705256 606393278 /nfs/dbraw/zinc/39/32/78/606393278.db2.gz SKCMZKFNEQHKPO-ANYQKZHNSA-N -1 1 391.547 3.708 20 10 GHCDMM Clc1ccc(C2=CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cn1 ZINC000826351642 608296393 /nfs/dbraw/zinc/29/63/93/608296393.db2.gz UTKARKHEIJGVLZ-UHFFFAOYSA-N -1 1 389.850 3.757 20 10 GHCDMM Clc1ccc(C2=CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cn1 ZINC000826351642 608296395 /nfs/dbraw/zinc/29/63/95/608296395.db2.gz UTKARKHEIJGVLZ-UHFFFAOYSA-N -1 1 389.850 3.757 20 10 GHCDMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1OCc1ccccc1 ZINC000168323091 838520019 /nfs/dbraw/zinc/52/00/19/838520019.db2.gz MLBAVTNGKZEDOI-MHWRWJLKSA-N -1 1 387.482 3.772 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000765754993 856022074 /nfs/dbraw/zinc/02/20/74/856022074.db2.gz ZICDVIJSSYNKGT-UHFFFAOYSA-N -1 1 390.212 3.614 20 10 GHCDMM O=C(CSc1nc2ccccc2o1)NCc1cccc(Br)c1[O-] ZINC000765763517 856808587 /nfs/dbraw/zinc/80/85/87/856808587.db2.gz CLPCJIHUOGWMRL-UHFFFAOYSA-N -1 1 393.262 3.704 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000765769466 857650285 /nfs/dbraw/zinc/65/02/85/857650285.db2.gz MDEQDHAKDFDMIH-MRXNPFEDSA-N -1 1 390.277 3.979 20 10 GHCDMM COc1ccc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000764758841 859597040 /nfs/dbraw/zinc/59/70/40/859597040.db2.gz VPCIQMFMRYCZHY-SNVBAGLBSA-N -1 1 397.244 3.863 20 10 GHCDMM O=C(NCc1cc2ccccc2o1)NCc1cccc(Br)c1[O-] ZINC000764761504 859598096 /nfs/dbraw/zinc/59/80/96/859598096.db2.gz ANSJZSYZRJXSME-UHFFFAOYSA-N -1 1 375.222 3.900 20 10 GHCDMM C[C@@H](COc1cccc(F)c1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764763445 859598972 /nfs/dbraw/zinc/59/89/72/859598972.db2.gz LUNKQDDLUZRSSE-NSHDSACASA-N -1 1 397.244 3.561 20 10 GHCDMM COc1ccc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764765310 859600338 /nfs/dbraw/zinc/60/03/38/859600338.db2.gz BKHHFZYUIXKGNV-LLVKDONJSA-N -1 1 379.254 3.724 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nc(C(F)(F)F)cs1 ZINC000765214016 859842363 /nfs/dbraw/zinc/84/23/63/859842363.db2.gz MIJMKYOOUCDDNL-UHFFFAOYSA-N -1 1 396.188 3.952 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc(-n2cccn2)c1 ZINC000765239983 859859443 /nfs/dbraw/zinc/85/94/43/859859443.db2.gz AXPDJUQDAFMOSA-UHFFFAOYSA-N -1 1 387.237 3.662 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nnc(-c2ccco2)s1 ZINC000765251733 859866803 /nfs/dbraw/zinc/86/68/03/859866803.db2.gz LKUXASVMKHNGDP-UHFFFAOYSA-N -1 1 395.238 3.588 20 10 GHCDMM COc1cc(OC)c(NC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765303726 859898759 /nfs/dbraw/zinc/89/87/59/859898759.db2.gz UGODDNZGLXNHJE-UHFFFAOYSA-N -1 1 399.216 3.633 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCOC2(CCCCC2)C1 ZINC000765534448 860106938 /nfs/dbraw/zinc/10/69/38/860106938.db2.gz KZNSNXQRMXPISZ-CQSZACIVSA-N -1 1 397.313 3.836 20 10 GHCDMM O=C(C[C@@H]1CCOc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765727449 860480320 /nfs/dbraw/zinc/48/03/20/860480320.db2.gz ABXAOAAPSNMUQS-LBPRGKRZSA-N -1 1 376.250 3.727 20 10 GHCDMM O=C(C[C@H]1CCOc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765727448 860480559 /nfs/dbraw/zinc/48/05/59/860480559.db2.gz ABXAOAAPSNMUQS-GFCCVEGCSA-N -1 1 376.250 3.727 20 10 GHCDMM CCCOc1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765727925 860483923 /nfs/dbraw/zinc/48/39/23/860483923.db2.gz RGGUPGFWSMZJFN-UHFFFAOYSA-N -1 1 394.265 3.639 20 10 GHCDMM Cc1cnn(-c2ccc(C(=O)NCc3cccc(Br)c3[O-])cc2)c1 ZINC000765726560 860492476 /nfs/dbraw/zinc/49/24/76/860492476.db2.gz HTYVMJMHWJVDLS-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM CC[C@H](C)Oc1cc(C(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765731235 860506480 /nfs/dbraw/zinc/50/64/80/860506480.db2.gz IJHMSGOSNQAFAC-NSHDSACASA-N -1 1 379.254 3.657 20 10 GHCDMM O=C(Cc1ccc(-n2cccc2)cc1)NCc1cccc(Br)c1[O-] ZINC000765748017 860561184 /nfs/dbraw/zinc/56/11/84/860561184.db2.gz TVTXJBMEYHGDJZ-UHFFFAOYSA-N -1 1 385.261 3.804 20 10 GHCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(OC(C)C)c1 ZINC000765751561 860568039 /nfs/dbraw/zinc/56/80/39/860568039.db2.gz GJESLGPIUHSDKS-UHFFFAOYSA-N -1 1 394.265 3.881 20 10 GHCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(-c2cccs2)n1 ZINC000765750588 860568139 /nfs/dbraw/zinc/56/81/39/860568139.db2.gz JHJGNQVFLBFLKQ-UHFFFAOYSA-N -1 1 392.278 3.547 20 10 GHCDMM O=C(CCc1nc2ccccc2o1)NCc1cccc(Br)c1[O-] ZINC000765751674 860568837 /nfs/dbraw/zinc/56/88/37/860568837.db2.gz JAIRTWQAWKVUCL-UHFFFAOYSA-N -1 1 375.222 3.545 20 10 GHCDMM O=S(=O)([N-]CCCSc1nccs1)c1cc(Cl)sc1Cl ZINC000733899366 863330340 /nfs/dbraw/zinc/33/03/40/863330340.db2.gz GVQXZEOQRNFKJZ-UHFFFAOYSA-N -1 1 389.376 3.972 20 10 GHCDMM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1c(F)cccc1Cl ZINC000766486420 870834479 /nfs/dbraw/zinc/83/44/79/870834479.db2.gz SLEOODJGIKSRGP-UHFFFAOYSA-N -1 1 382.888 3.948 20 10 GHCDMM CN(C)c1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccco4)o3)cs2)cc1 ZINC001193161684 870927899 /nfs/dbraw/zinc/92/78/99/870927899.db2.gz PNXPBCFBBQDDKY-UHFFFAOYSA-N -1 1 381.417 3.771 20 10 GHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001193224778 870945684 /nfs/dbraw/zinc/94/56/84/870945684.db2.gz AUKYCOASQQFEOH-VFNWGFHPSA-N -1 1 387.863 3.930 20 10 GHCDMM O=C(NCc1ccc(C2(C(F)(F)F)N=N2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193246997 870971626 /nfs/dbraw/zinc/97/16/26/870971626.db2.gz GXUHYGTXULAESI-UHFFFAOYSA-N -1 1 385.729 3.862 20 10 GHCDMM COC(=O)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1C(F)(F)F ZINC001193229730 870990787 /nfs/dbraw/zinc/99/07/87/870990787.db2.gz LAWRHTQGYAPGNP-UHFFFAOYSA-N -1 1 389.713 3.809 20 10 GHCDMM CC(C)CCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769741252 874276681 /nfs/dbraw/zinc/27/66/81/874276681.db2.gz KFPDAPUWUYXPFL-UHFFFAOYSA-N -1 1 376.478 3.605 20 10 GHCDMM O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc([O-])c(O)c1 ZINC000005396386 875356951 /nfs/dbraw/zinc/35/69/51/875356951.db2.gz FLWFBHPRKZNGRY-UHFFFAOYSA-N -1 1 387.486 3.652 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000094034329 912572525 /nfs/dbraw/zinc/57/25/25/912572525.db2.gz CYUWCBOAUFJGGN-UHFFFAOYSA-N -1 1 396.468 3.611 20 10 GHCDMM CC[C@@H](NC(c1ccnn1C)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858584446 883213881 /nfs/dbraw/zinc/21/38/81/883213881.db2.gz SUECQLNVQIYNKI-CYBMUJFWSA-N -1 1 394.306 3.996 20 10 GHCDMM CC[C@H](C)n1c(=O)[nH]c(C)c(NCc2cc(Cl)c3cccnc3c2[O-])c1=O ZINC001168524262 884561458 /nfs/dbraw/zinc/56/14/58/884561458.db2.gz YJPVVUUHOZZEDC-JTQLQIEISA-N -1 1 388.855 3.748 20 10 GHCDMM CC(=O)c1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000806578537 884795250 /nfs/dbraw/zinc/79/52/50/884795250.db2.gz HRAWEGASYDHWDK-UHFFFAOYSA-N -1 1 381.201 3.818 20 10 GHCDMM COc1ccc(N2CCCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000917821617 892615062 /nfs/dbraw/zinc/61/50/62/892615062.db2.gz BEACHVVOTFQLEH-UHFFFAOYSA-N -1 1 376.456 3.907 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000773313193 904707187 /nfs/dbraw/zinc/70/71/87/904707187.db2.gz FKWGDXPCYKKFIQ-INIZCTEOSA-N -1 1 380.448 3.511 20 10 GHCDMM C[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1n1ccnc1 ZINC000246409137 910287271 /nfs/dbraw/zinc/28/72/71/910287271.db2.gz BYASHBCXIJZDND-OXQOHEQNSA-N -1 1 391.471 3.608 20 10 GHCDMM C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1n1ccnc1 ZINC000246409137 910287281 /nfs/dbraw/zinc/28/72/81/910287281.db2.gz BYASHBCXIJZDND-OXQOHEQNSA-N -1 1 391.471 3.608 20 10 GHCDMM C[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)c1cccc(Oc2ccccc2)c1 ZINC001182739452 912016356 /nfs/dbraw/zinc/01/63/56/912016356.db2.gz BZBBYKCXWIPAEP-OAHLLOKOSA-N -1 1 391.423 3.993 20 10 GHCDMM CC[C@H](C)NS(=O)(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000796432224 917131429 /nfs/dbraw/zinc/13/14/29/917131429.db2.gz SVSORUDLZUXMOA-NSHDSACASA-N -1 1 386.876 3.874 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)CC3CCCC3)CC2)c1[O-] ZINC000750044429 927402699 /nfs/dbraw/zinc/40/26/99/927402699.db2.gz JCNJCGGQZQUMQH-UHFFFAOYSA-N -1 1 392.927 3.863 20 10 GHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000758775428 930163449 /nfs/dbraw/zinc/16/34/49/930163449.db2.gz WSWLANGSWJINHI-UHFFFAOYSA-N -1 1 377.315 3.554 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCn3c(nnc3-c3ccccc3)C2)c1 ZINC000781907839 931023751 /nfs/dbraw/zinc/02/37/51/931023751.db2.gz JAOJTNYESOFWSV-UHFFFAOYSA-N -1 1 399.292 3.737 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000781910328 931023910 /nfs/dbraw/zinc/02/39/10/931023910.db2.gz NVSGKUFAQSHDHH-NSHDSACASA-N -1 1 381.236 3.532 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2c2noc(C(C)C)n2)c1 ZINC000781920511 931029480 /nfs/dbraw/zinc/02/94/80/931029480.db2.gz MNEKTQOFGVWIAN-AWEZNQCLSA-N -1 1 396.285 3.543 20 10 GHCDMM COc1cc(-c2ccccc2)sc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783064371 931399694 /nfs/dbraw/zinc/39/96/94/931399694.db2.gz RFEUSLZDNJFECN-UHFFFAOYSA-N -1 1 384.409 3.875 20 10 GHCDMM C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848593891 969268389 /nfs/dbraw/zinc/26/83/89/969268389.db2.gz UYRSVBVTFRJAIY-KPXOXKRLSA-N -1 1 389.279 3.634 20 10 GHCDMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1Br)c1ccc(N(C)C)cc1 ZINC001593194241 994132483 /nfs/dbraw/zinc/13/24/83/994132483.db2.gz CEBUBNNDILJGDX-PXAZEXFGSA-N -1 1 377.282 3.992 20 10 GHCDMM C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)c1cc(C(=O)[O-])ccc1O ZINC001593317602 994819949 /nfs/dbraw/zinc/81/99/49/994819949.db2.gz RHLIUOLUAPOBRO-AWEZNQCLSA-N -1 1 377.444 3.616 20 10 GHCDMM CC[C@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155224340 1032463409 /nfs/dbraw/zinc/46/34/09/1032463409.db2.gz CMNJTIROIPYZSR-QKKBWIMNSA-N -1 1 389.448 3.608 20 10 GHCDMM CCOC(=O)[C@H](CC(C)C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581261 1032471227 /nfs/dbraw/zinc/47/12/27/1032471227.db2.gz YMYCNWIQHLUTLK-KRWDZBQOSA-N -1 1 382.412 3.524 20 10 GHCDMM C[C@@H](COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)Oc1ccccc1 ZINC001228108349 1032786151 /nfs/dbraw/zinc/78/61/51/1032786151.db2.gz FWOJMXIYIZNFFY-AWEZNQCLSA-N -1 1 380.396 3.881 20 10 GHCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O[C@H]3C[C@H]4C=C[C@@H]3C4)c21 ZINC001228188998 1032830605 /nfs/dbraw/zinc/83/06/05/1032830605.db2.gz CTTWTFUTLNJZLC-VVHMABOXSA-N -1 1 380.396 3.853 20 10 GHCDMM C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)cc(F)c1[O-] ZINC000756797705 1023817378 /nfs/dbraw/zinc/81/73/78/1023817378.db2.gz UTXUTPLTOMRDIS-MRVPVSSYSA-N -1 1 381.201 3.798 20 10 GHCDMM C[C@H](NCc1cocn1)c1cc(Br)cc(Br)c1[O-] ZINC000756833377 1023828287 /nfs/dbraw/zinc/82/82/87/1023828287.db2.gz YZDYPQUKLYOIQQ-ZETCQYMHSA-N -1 1 376.048 3.756 20 10 GHCDMM C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)cc(F)c1[O-] ZINC000756831962 1023828621 /nfs/dbraw/zinc/82/86/21/1023828621.db2.gz QNNMYXVSVVCEJF-SECBINFHSA-N -1 1 394.244 3.657 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])[C@H](C(F)(F)F)C1 ZINC001138130752 1024185735 /nfs/dbraw/zinc/18/57/35/1024185735.db2.gz HCCSPDGKWSOAGQ-ZDUSSCGKSA-N -1 1 378.366 3.515 20 10 GHCDMM O=C1CC2(CCN(Cc3c(F)ccc(F)c3[O-])CC2)Oc2ccc(F)cc21 ZINC001139687826 1026538681 /nfs/dbraw/zinc/53/86/81/1026538681.db2.gz QREMCNBBVLVPLA-UHFFFAOYSA-N -1 1 377.362 3.810 20 10 GHCDMM CC(C)O[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203568258 1027438621 /nfs/dbraw/zinc/43/86/21/1027438621.db2.gz HIUCWTKEOLIJRY-LBPRGKRZSA-N -1 1 393.119 3.917 20 10 GHCDMM Cn1cnc2c1[C@H](COCC1CCCC1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142513034 1029016433 /nfs/dbraw/zinc/01/64/33/1029016433.db2.gz UKRKHMFEHHAJHG-INIZCTEOSA-N -1 1 391.462 3.710 20 10 GHCDMM Cc1cc(C(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000842935861 1029697884 /nfs/dbraw/zinc/69/78/84/1029697884.db2.gz ILOJAZZMGPQRFM-BTYIYWSLSA-N -1 1 382.504 3.936 20 10 GHCDMM CC1(C)CCC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229792828 1033719345 /nfs/dbraw/zinc/71/93/45/1033719345.db2.gz UENASZOGKSYHLM-GFCCVEGCSA-N -1 1 388.416 3.793 20 10 GHCDMM C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001230361951 1034013494 /nfs/dbraw/zinc/01/34/94/1034013494.db2.gz BFERXPFLQJUSTP-VXGBXAGGSA-N -1 1 385.892 3.537 20 10 GHCDMM O=C(CNC(F)(F)c1ccc2ccc(Cl)nc2c1)c1ccc([O-])c(O)c1 ZINC001159276536 1034519531 /nfs/dbraw/zinc/51/95/31/1034519531.db2.gz KCQSJXMLJIQAHA-UHFFFAOYSA-N -1 1 378.762 3.821 20 10 GHCDMM O=C([O-])c1ccc(CN2CCN(c3ccc(F)c(Cl)c3Cl)CC2)c(O)c1 ZINC001231454367 1034599052 /nfs/dbraw/zinc/59/90/52/1034599052.db2.gz VMARLXLLSVIHQB-UHFFFAOYSA-N -1 1 399.249 3.859 20 10 GHCDMM Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cc1Cl ZINC001231869834 1034956634 /nfs/dbraw/zinc/95/66/34/1034956634.db2.gz XDITXVSHCFBXHF-QKYXUNIQSA-N -1 1 388.895 3.807 20 10 GHCDMM COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(O)c1I ZINC001248489002 1035911325 /nfs/dbraw/zinc/91/13/25/1035911325.db2.gz CDUFXGXXDQANPW-QWRGUYRKSA-N -1 1 375.250 3.626 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001234473801 1040055836 /nfs/dbraw/zinc/05/58/36/1040055836.db2.gz KFBBTCZYWUQMAW-SJKOYZFVSA-N -1 1 379.453 3.715 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC(Oc2ccccn2)CC1 ZINC001235302830 1040775934 /nfs/dbraw/zinc/77/59/34/1040775934.db2.gz UMMRYYODFYEXBS-UHFFFAOYSA-N -1 1 381.245 3.732 20 10 GHCDMM COc1cccc(CN(C)Cc2cc(F)cc(Br)c2[O-])c1OC ZINC001235304848 1040778454 /nfs/dbraw/zinc/77/84/54/1040778454.db2.gz DQVOZODBEKNELW-UHFFFAOYSA-N -1 1 384.245 3.943 20 10 GHCDMM Cn1c2ccccc2n(C2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)c1=O ZINC001237123087 1042050812 /nfs/dbraw/zinc/05/08/12/1042050812.db2.gz BOTWNWPHCLOGKY-UHFFFAOYSA-N -1 1 389.858 3.675 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCc2onc(COc3cccnc3)c2C1 ZINC001237124906 1042052981 /nfs/dbraw/zinc/05/29/81/1042052981.db2.gz PKYSDZXXWOWQSY-UHFFFAOYSA-N -1 1 389.814 3.705 20 10 GHCDMM O=C(c1cccc(F)c1)N1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]21 ZINC001237620644 1042287875 /nfs/dbraw/zinc/28/78/75/1042287875.db2.gz VZSBGASPDVNATN-SCLBCKFNSA-N -1 1 392.833 3.670 20 10 GHCDMM Cc1cc([C@@H]2CCCN2Cc2cccc(I)c2[O-])no1 ZINC001237782612 1042366523 /nfs/dbraw/zinc/36/65/23/1042366523.db2.gz FPLQKSXCVGWSES-AWEZNQCLSA-N -1 1 384.217 3.630 20 10 GHCDMM C[C@@H]1C(=O)CCN(Cc2cccc(I)c2[O-])C12CCCC2 ZINC001237789718 1042371091 /nfs/dbraw/zinc/37/10/91/1042371091.db2.gz UFLDITAGZBWQJJ-GFCCVEGCSA-N -1 1 399.272 3.721 20 10 GHCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237799154 1042375700 /nfs/dbraw/zinc/37/57/00/1042375700.db2.gz OJFNFDDYUFCKOS-QMMMGPOBSA-N -1 1 379.741 3.966 20 10 GHCDMM O=C(Nc1ccccc1)NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237803742 1042378861 /nfs/dbraw/zinc/37/88/61/1042378861.db2.gz UODCDTBBRTWEII-UHFFFAOYSA-N -1 1 377.847 3.971 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCc2onc(COc3cccnc3)c2C1 ZINC001237935531 1042427213 /nfs/dbraw/zinc/42/72/13/1042427213.db2.gz BZOCVCLORCYCFA-UHFFFAOYSA-N -1 1 389.814 3.705 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001237936726 1042427933 /nfs/dbraw/zinc/42/79/33/1042427933.db2.gz DJEQZIOOCWWHFM-HNNXBMFYSA-N -1 1 393.890 3.927 20 10 GHCDMM COC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001237938668 1042429629 /nfs/dbraw/zinc/42/96/29/1042429629.db2.gz MMLGRGSBAGDGJY-AWEZNQCLSA-N -1 1 379.863 3.537 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC001305083653 1047885954 /nfs/dbraw/zinc/88/59/54/1047885954.db2.gz ABSDOFSBRKIKSN-TZMCWYRMSA-N -1 1 382.888 3.601 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC001305083651 1047886219 /nfs/dbraw/zinc/88/62/19/1047886219.db2.gz ABSDOFSBRKIKSN-OCCSQVGLSA-N -1 1 382.888 3.601 20 10 GHCDMM CCc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1-c1ccc(OC)cc1 ZINC001305084022 1047887753 /nfs/dbraw/zinc/88/77/53/1047887753.db2.gz FCHYADVRDCATTJ-UHFFFAOYSA-N -1 1 385.851 3.732 20 10 GHCDMM CC(C)(C)OC(=O)CCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000847929578 1056218100 /nfs/dbraw/zinc/21/81/00/1056218100.db2.gz LCUDQRBSDKIFQS-UHFFFAOYSA-N -1 1 386.286 3.673 20 10 GHCDMM CCOC(=O)c1cc(NCc2cccc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC000764934824 1068103576 /nfs/dbraw/zinc/10/35/76/1068103576.db2.gz NEBWDMOEICFUBO-UHFFFAOYSA-N -1 1 395.209 3.852 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1c(Cl)cccc1[N+](=O)[O-] ZINC000765771250 1068121594 /nfs/dbraw/zinc/12/15/94/1068121594.db2.gz XILWXCDCBVKJHT-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM Cc1nc2ccc(Br)cn2c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001472317081 1073418011 /nfs/dbraw/zinc/41/80/11/1073418011.db2.gz UUQANPBXFQCSBX-UHFFFAOYSA-N -1 1 394.656 3.694 20 10 GHCDMM Cc1cc(C(=O)CN(CCC(=O)[O-])C2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000832959851 601596279 /nfs/dbraw/zinc/59/62/79/601596279.db2.gz AYUYUFIFWMANBS-UHFFFAOYSA-N -1 1 398.503 3.541 20 10 GHCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826233765 607726922 /nfs/dbraw/zinc/72/69/22/607726922.db2.gz VFLCIOAOVYYHFM-UHFFFAOYSA-N -1 1 391.866 3.999 20 10 GHCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826233765 607726924 /nfs/dbraw/zinc/72/69/24/607726924.db2.gz VFLCIOAOVYYHFM-UHFFFAOYSA-N -1 1 391.866 3.999 20 10 GHCDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C)c(C)n1-c1ccc(Cl)cc1 ZINC000067069983 844139106 /nfs/dbraw/zinc/13/91/06/844139106.db2.gz BVKCHAKWEUDGQT-UHFFFAOYSA-N -1 1 389.912 3.511 20 10 GHCDMM CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890758466 836690164 /nfs/dbraw/zinc/69/01/64/836690164.db2.gz ZIHPIMPPUAIMEU-AWEZNQCLSA-N -1 1 375.852 3.651 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000894170570 844482075 /nfs/dbraw/zinc/48/20/75/844482075.db2.gz DOXPDEBVKPJECX-DOTOQJQBSA-N -1 1 378.831 3.904 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067093291 844614743 /nfs/dbraw/zinc/61/47/43/844614743.db2.gz MDZDOPBNQCLWDL-UHFFFAOYSA-N -1 1 381.505 3.656 20 10 GHCDMM CCOC(=O)[C@@]1(C)CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375117 843322907 /nfs/dbraw/zinc/32/29/07/843322907.db2.gz XJSQZQKVIQCAEP-INIZCTEOSA-N -1 1 390.705 3.973 20 10 GHCDMM C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(Br)c1[O-] ZINC000765765273 857013047 /nfs/dbraw/zinc/01/30/47/857013047.db2.gz QSQWFPPAZDTMFU-SNVBAGLBSA-N -1 1 384.657 3.892 20 10 GHCDMM O=C(CNc1cc(-c2ccncc2)c(-c2ccccc2)nn1)c1ccc([O-])c(O)c1 ZINC001170316508 881346751 /nfs/dbraw/zinc/34/67/51/881346751.db2.gz GRFRCXINXIKGQE-UHFFFAOYSA-N -1 1 398.422 3.912 20 10 GHCDMM CCOc1cc(F)c(Br)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320635 881353693 /nfs/dbraw/zinc/35/36/93/881353693.db2.gz GBKIBYJDNYAHKB-UHFFFAOYSA-N -1 1 384.201 3.693 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCOc2ccccc21 ZINC000764768969 859603989 /nfs/dbraw/zinc/60/39/89/859603989.db2.gz LHMLFSMRDPRUSW-OAHLLOKOSA-N -1 1 391.265 3.868 20 10 GHCDMM CCC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC000764777132 859607145 /nfs/dbraw/zinc/60/71/45/859607145.db2.gz CAOLXENWJFUFPY-OAHLLOKOSA-N -1 1 378.270 3.890 20 10 GHCDMM CCOc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000764778814 859608242 /nfs/dbraw/zinc/60/82/42/859608242.db2.gz IWLIFQLSNTYIKG-UHFFFAOYSA-N -1 1 397.244 3.692 20 10 GHCDMM Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000764781104 859609420 /nfs/dbraw/zinc/60/94/20/859609420.db2.gz WBJAYPAEZVOKKH-OAHLLOKOSA-N -1 1 391.265 3.704 20 10 GHCDMM CC(C)O[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764804396 859615475 /nfs/dbraw/zinc/61/54/75/859615475.db2.gz GCDDTPCPVTVJAO-UONOGXRCSA-N -1 1 385.302 3.546 20 10 GHCDMM CC(C)(C)c1ncc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765257657 859873910 /nfs/dbraw/zinc/87/39/10/859873910.db2.gz KMQHMFRXVZIBOY-UHFFFAOYSA-N -1 1 379.258 3.564 20 10 GHCDMM CN1CCCc2cc(NC(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000765258993 859874803 /nfs/dbraw/zinc/87/48/03/859874803.db2.gz UBLBRMCVPVOFDN-UHFFFAOYSA-N -1 1 390.281 3.859 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc(OCCF)c1 ZINC000765316266 859902312 /nfs/dbraw/zinc/90/23/12/859902312.db2.gz VOAIFIRSCCQHED-UHFFFAOYSA-N -1 1 383.217 3.825 20 10 GHCDMM COc1nc(C(=O)NCc2cccc(Br)c2[O-])cc2ccccc21 ZINC000765726298 860479666 /nfs/dbraw/zinc/47/96/66/860479666.db2.gz FRWCMQGGRFOWLI-UHFFFAOYSA-N -1 1 387.233 3.642 20 10 GHCDMM CCOc1cc(/C=C/C(=O)NCc2cccc(Br)c2[O-])ccc1O ZINC000765727186 860480622 /nfs/dbraw/zinc/48/06/22/860480622.db2.gz KJSIKSXKRZLUKX-VQHVLOKHSA-N -1 1 392.249 3.589 20 10 GHCDMM CC[C@@H](C)Oc1cc(C(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765731233 860506237 /nfs/dbraw/zinc/50/62/37/860506237.db2.gz IJHMSGOSNQAFAC-LLVKDONJSA-N -1 1 379.254 3.657 20 10 GHCDMM CC(C)Oc1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765736554 860533369 /nfs/dbraw/zinc/53/33/69/860533369.db2.gz OIDAIDAKVABZGQ-UHFFFAOYSA-N -1 1 378.266 3.801 20 10 GHCDMM O=C(Cc1cc(-c2ccccc2)on1)NCc1cccc(Br)c1[O-] ZINC000765735610 860539285 /nfs/dbraw/zinc/53/92/85/860539285.db2.gz HWCWZKNHPGXSHC-UHFFFAOYSA-N -1 1 387.233 3.669 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Br)cc1 ZINC000765754125 860568117 /nfs/dbraw/zinc/56/81/17/860568117.db2.gz RMMUOHSPJOFWPB-UHFFFAOYSA-N -1 1 385.055 3.847 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000792702706 881628539 /nfs/dbraw/zinc/62/85/39/881628539.db2.gz XQTMSHAVMZXSQY-UHFFFAOYSA-N -1 1 377.491 3.846 20 10 GHCDMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000920879392 882432961 /nfs/dbraw/zinc/43/29/61/882432961.db2.gz KUSJIBDTJXZHTL-MRXNPFEDSA-N -1 1 376.456 3.873 20 10 GHCDMM O=C(Nc1nc2[nH]ccc2cc1Br)c1ccc(O)c([O-])c1Cl ZINC001193220222 870951720 /nfs/dbraw/zinc/95/17/20/870951720.db2.gz SDLTTWDSIJNVMO-UHFFFAOYSA-N -1 1 382.601 3.594 20 10 GHCDMM CCOC(=O)[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1cccc2ccccc21 ZINC001193236897 870964271 /nfs/dbraw/zinc/96/42/71/870964271.db2.gz SJIKMLZWIWNHGP-GOSISDBHSA-N -1 1 399.830 3.939 20 10 GHCDMM O=C(NCCc1cc(C(F)(F)F)ccc1F)c1ccc(O)c([O-])c1Cl ZINC001193247214 870973562 /nfs/dbraw/zinc/97/35/62/870973562.db2.gz PGKUERBNRNNQEJ-UHFFFAOYSA-N -1 1 377.721 3.882 20 10 GHCDMM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001198729989 874585051 /nfs/dbraw/zinc/58/50/51/874585051.db2.gz CTJGSOXUCAOYGX-UHFFFAOYSA-N -1 1 399.399 3.556 20 10 GHCDMM CCOc1ccnc(N2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000770327382 874601777 /nfs/dbraw/zinc/60/17/77/874601777.db2.gz SUFZLNDUVDCALM-UHFFFAOYSA-N -1 1 397.306 3.600 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC(c3ccon3)CC2)c1[O-] ZINC000853592553 879150687 /nfs/dbraw/zinc/15/06/87/879150687.db2.gz WKXISLGGSZLRIJ-UHFFFAOYSA-N -1 1 378.428 3.696 20 10 GHCDMM O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1c([O-])c(O)ccc1F ZINC000789996915 879387179 /nfs/dbraw/zinc/38/71/79/879387179.db2.gz UOKJHXBVOHTLLO-UHFFFAOYSA-N -1 1 398.365 3.558 20 10 GHCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000808446362 886356757 /nfs/dbraw/zinc/35/67/57/886356757.db2.gz FXSIXDKNULPYME-JTQLQIEISA-N -1 1 377.803 3.550 20 10 GHCDMM CC(F)(F)c1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1 ZINC000810318054 888427499 /nfs/dbraw/zinc/42/74/99/888427499.db2.gz NLEKOWRRBGVAGE-UHFFFAOYSA-N -1 1 395.387 3.592 20 10 GHCDMM COc1ccc(N2CCC(NC(=O)NCc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000875212245 892496803 /nfs/dbraw/zinc/49/68/03/892496803.db2.gz WOTOSOJIMDDDAB-UHFFFAOYSA-N -1 1 389.883 3.522 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1c(Cl)cncc1Cl ZINC000816496215 894862414 /nfs/dbraw/zinc/86/24/14/894862414.db2.gz ALAWSZPIDLTARL-UHFFFAOYSA-N -1 1 376.037 3.787 20 10 GHCDMM O=C(Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1)N1CCSCC1 ZINC000816525731 894924978 /nfs/dbraw/zinc/92/49/78/894924978.db2.gz GVADOVDXVKEYSK-UHFFFAOYSA-N -1 1 394.899 3.915 20 10 GHCDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001185904893 914165599 /nfs/dbraw/zinc/16/55/99/914165599.db2.gz NZUMCMSXWCZRKA-UHFFFAOYSA-N -1 1 395.436 3.725 20 10 GHCDMM C[C@H](COCC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000846013383 902593243 /nfs/dbraw/zinc/59/32/43/902593243.db2.gz AZOLTOBAIWXFHB-CYBMUJFWSA-N -1 1 378.266 3.591 20 10 GHCDMM O=C(NC1CCOCC1)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000845993956 902609736 /nfs/dbraw/zinc/60/97/36/902609736.db2.gz GELNWHSLRPTZJP-UHFFFAOYSA-N -1 1 378.831 3.706 20 10 GHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186720293 914775870 /nfs/dbraw/zinc/77/58/70/914775870.db2.gz YQRCNFJXFWUSNQ-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000187061047 908028754 /nfs/dbraw/zinc/02/87/54/908028754.db2.gz DMGHHHVAYZBXIE-UHFFFAOYSA-N -1 1 390.505 3.600 20 10 GHCDMM Cc1cc(Br)c([O-])c(CNCC(F)(F)C2(O)CCCCC2)c1 ZINC001179771357 909698017 /nfs/dbraw/zinc/69/80/17/909698017.db2.gz AKJQOSPNHXXXPQ-UHFFFAOYSA-N -1 1 378.257 3.883 20 10 GHCDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001180410489 910152030 /nfs/dbraw/zinc/15/20/30/910152030.db2.gz QOHDJDKQEWMYSL-IUODEOHRSA-N -1 1 382.888 3.697 20 10 GHCDMM COCOc1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001212900953 911452283 /nfs/dbraw/zinc/45/22/83/911452283.db2.gz HEUKUALMADPNEQ-UHFFFAOYSA-N -1 1 375.380 3.894 20 10 GHCDMM COc1c([O-])c(CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775095089 915072178 /nfs/dbraw/zinc/07/21/78/915072178.db2.gz AQPBHVQJRZJNDN-YVEFUNNKSA-N -1 1 392.839 3.924 20 10 GHCDMM CCS(=O)(=O)Nc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000098039226 916097342 /nfs/dbraw/zinc/09/73/42/916097342.db2.gz YDMNPNRFKIGRFD-UHFFFAOYSA-N -1 1 385.283 3.528 20 10 GHCDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)ccc1O ZINC001189982235 917041688 /nfs/dbraw/zinc/04/16/88/917041688.db2.gz OTKKOESSAZIEKI-UHFFFAOYSA-N -1 1 377.315 3.554 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000295479705 917324558 /nfs/dbraw/zinc/32/45/58/917324558.db2.gz PNKFBSURWBSZJC-LLVKDONJSA-N -1 1 376.453 3.592 20 10 GHCDMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c1 ZINC001191304560 917906995 /nfs/dbraw/zinc/90/69/95/917906995.db2.gz LTBQHJURZMANOL-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000750038738 927399870 /nfs/dbraw/zinc/39/98/70/927399870.db2.gz JVKNZZZJFQECJC-OAHLLOKOSA-N -1 1 382.888 3.737 20 10 GHCDMM Cc1nc(C2CCCCC2)sc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784539723 931929698 /nfs/dbraw/zinc/92/96/98/931929698.db2.gz UYZXSOBQCZXKQS-UHFFFAOYSA-N -1 1 375.446 3.950 20 10 GHCDMM [O-]c1c(Cl)cccc1CNc1cnc(N2CCOCC2)c(Br)c1 ZINC000798966822 932844170 /nfs/dbraw/zinc/84/41/70/932844170.db2.gz JZHRFRWUZKSYJT-UHFFFAOYSA-N -1 1 398.688 3.652 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccc([N+](=O)[O-])cc1Br ZINC001117548097 933953132 /nfs/dbraw/zinc/95/31/32/933953132.db2.gz OJTHKCVXARHSBY-UHFFFAOYSA-N -1 1 397.572 3.799 20 10 GHCDMM C[C@@H](N[C@H](CCO)c1ccccc1Br)c1cc(C(=O)[O-])ccc1O ZINC001593210530 994249979 /nfs/dbraw/zinc/24/99/79/994249979.db2.gz RAAULAPTMORPSK-BDJLRTHQSA-N -1 1 394.265 3.627 20 10 GHCDMM CCC[C@H](CC(=O)OCC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580379 1032470913 /nfs/dbraw/zinc/47/09/13/1032470913.db2.gz NTINYZRSCUDCBS-CYBMUJFWSA-N -1 1 382.412 3.668 20 10 GHCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@H]3CCC=CO3)c21 ZINC001228196227 1032835148 /nfs/dbraw/zinc/83/51/48/1032835148.db2.gz XIDLQUNZNOCJOE-RDTXWAMCSA-N -1 1 384.384 3.581 20 10 GHCDMM COc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000834476368 1021213295 /nfs/dbraw/zinc/21/32/95/1021213295.db2.gz WLIGJLUYXOUFRT-LSDHHAIUSA-N -1 1 376.250 3.583 20 10 GHCDMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)cc3[O-])cc2F)C[C@@H](C)O1 ZINC001626157664 1021294079 /nfs/dbraw/zinc/29/40/79/1021294079.db2.gz GNENMZCUPOWFJF-CHWSQXEVSA-N -1 1 392.858 3.728 20 10 GHCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc(C2CC2)cc1 ZINC000831287825 1024470960 /nfs/dbraw/zinc/47/09/60/1024470960.db2.gz LISBDQOVIQSMKO-UHFFFAOYSA-N -1 1 382.279 3.511 20 10 GHCDMM Cc1nccnc1O[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374624 1024767371 /nfs/dbraw/zinc/76/73/71/1024767371.db2.gz LLFVZHFMBGLQKG-CYBMUJFWSA-N -1 1 398.688 3.560 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](Oc2ncccn2)C1 ZINC001141374255 1024767830 /nfs/dbraw/zinc/76/78/30/1024767830.db2.gz DBKPHTWIWJFVDO-CYBMUJFWSA-N -1 1 398.688 3.642 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1noc2c1CCc1ccccc1-2 ZINC001156792083 1033244400 /nfs/dbraw/zinc/24/44/00/1033244400.db2.gz LNPUEJQUIAIYFV-UHFFFAOYSA-N -1 1 399.244 3.838 20 10 GHCDMM Cc1cc(C(=O)N2CCOCC2)ccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000840952798 1027982911 /nfs/dbraw/zinc/98/29/11/1027982911.db2.gz ULEPMAVULNJVFR-UHFFFAOYSA-N -1 1 378.831 3.578 20 10 GHCDMM CC(C)OCc1nn(CC2CC2)c2c1CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512908 1029016603 /nfs/dbraw/zinc/01/66/03/1029016603.db2.gz PJVAHDACLXWYPD-UHFFFAOYSA-N -1 1 391.462 3.760 20 10 GHCDMM COC(=O)c1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)ccc1F ZINC001215854129 1029425851 /nfs/dbraw/zinc/42/58/51/1029425851.db2.gz FJUUOZYFOLRLOF-UHFFFAOYSA-N -1 1 391.354 3.837 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nc(-c2ccccc2)no1 ZINC001216456299 1029645982 /nfs/dbraw/zinc/64/59/82/1029645982.db2.gz XWPAFXSYGJLUTB-UHFFFAOYSA-N -1 1 389.209 3.526 20 10 GHCDMM Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccc(OCCO)cc3[O-])n2)cc1 ZINC001217024285 1030101178 /nfs/dbraw/zinc/10/11/78/1030101178.db2.gz JKJCBOSYUZMVFJ-UHFFFAOYSA-N -1 1 391.427 3.888 20 10 GHCDMM Cc1cccc(Oc2nc(Cl)ncc2NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159280390 1034520909 /nfs/dbraw/zinc/52/09/09/1034520909.db2.gz OOCHEZDBCSRNME-UHFFFAOYSA-N -1 1 385.807 3.937 20 10 GHCDMM O=C([O-])c1ccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c(O)c1 ZINC001231452722 1034596838 /nfs/dbraw/zinc/59/68/38/1034596838.db2.gz SUTYOHNLXHLVSX-UHFFFAOYSA-N -1 1 395.286 3.715 20 10 GHCDMM C[C@H]1Cc2cc(Br)ccc2CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231568940 1034717977 /nfs/dbraw/zinc/71/79/77/1034717977.db2.gz RWKMMXZXYDGBMQ-NSHDSACASA-N -1 1 376.250 3.800 20 10 GHCDMM [O-]c1c(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc(F)c1F ZINC001233079922 1038849594 /nfs/dbraw/zinc/84/95/94/1038849594.db2.gz NSVWYBSBFGZRDP-LLVKDONJSA-N -1 1 389.324 3.523 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC(c3ccccc3)C2)c1 ZINC001233308551 1039098837 /nfs/dbraw/zinc/09/88/37/1039098837.db2.gz VVYPBSNNTUCYAY-UHFFFAOYSA-N -1 1 376.250 3.541 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001233497246 1039391679 /nfs/dbraw/zinc/39/16/79/1039391679.db2.gz OBZJAIHJQIFTQB-DYVFJYSZSA-N -1 1 397.443 3.807 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001234476493 1040060861 /nfs/dbraw/zinc/06/08/61/1040060861.db2.gz MQTYTCNRSOTFNT-IBGZPJMESA-N -1 1 377.387 3.589 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)c1 ZINC001236662554 1041809770 /nfs/dbraw/zinc/80/97/70/1041809770.db2.gz FJIWJRKZTGWPHM-WCQYABFASA-N -1 1 382.220 3.741 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001237125699 1042054067 /nfs/dbraw/zinc/05/40/67/1042054067.db2.gz UHQWGXKQZVCOID-QILLFSRXSA-N -1 1 396.821 3.530 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CC1(F)F ZINC001237127235 1042054237 /nfs/dbraw/zinc/05/42/37/1042054237.db2.gz XKEVAGAVPJFATQ-ZDUSSCGKSA-N -1 1 394.821 3.919 20 10 GHCDMM CN(Cc1ccco1)[C@@H]1CN(Cc2cc(F)cc(Cl)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001237800031 1042376660 /nfs/dbraw/zinc/37/66/60/1042376660.db2.gz MBIKGQGCRKJCIN-GGPKGHCWSA-N -1 1 394.874 3.642 20 10 GHCDMM CC(C)COC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2ncn(C)c21 ZINC001237938799 1042429295 /nfs/dbraw/zinc/42/92/95/1042429295.db2.gz PLWAEOOCASAFQO-CQSZACIVSA-N -1 1 381.879 3.690 20 10 GHCDMM COC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001237938669 1042429347 /nfs/dbraw/zinc/42/93/47/1042429347.db2.gz MMLGRGSBAGDGJY-CQSZACIVSA-N -1 1 379.863 3.537 20 10 GHCDMM CCn1ncc2c1CN(Cc1cc(F)c(Cl)cc1[O-])C[C@H]2COCC1CC1 ZINC001237939099 1042429640 /nfs/dbraw/zinc/42/96/40/1042429640.db2.gz SUUDUURXYPWCBK-HNNXBMFYSA-N -1 1 393.890 3.927 20 10 GHCDMM Nc1c(C(=O)NCc2cccc(Br)c2[O-])cccc1C(F)(F)F ZINC001297439346 1045522899 /nfs/dbraw/zinc/52/28/99/1045522899.db2.gz GXKXBYHIADYSBT-UHFFFAOYSA-N -1 1 389.171 3.686 20 10 GHCDMM C[C@H](OCc1ccc(F)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC001297439837 1045523266 /nfs/dbraw/zinc/52/32/66/1045523266.db2.gz KEXJRYIBHKPKJL-NSHDSACASA-N -1 1 382.229 3.515 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)cc1Cl ZINC001260973489 1045791337 /nfs/dbraw/zinc/79/13/37/1045791337.db2.gz UUVTWGOVSLKDNB-UHFFFAOYSA-N -1 1 381.759 3.874 20 10 GHCDMM CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261072560 1045886533 /nfs/dbraw/zinc/88/65/33/1045886533.db2.gz ZPAVWTMPEHZBNV-UHFFFAOYSA-N -1 1 386.216 3.533 20 10 GHCDMM COc1cc(C(=O)NCc2cccc(Cl)c2[O-])sc1Br ZINC001457032867 1062954742 /nfs/dbraw/zinc/95/47/42/1062954742.db2.gz ARQWCRFKHBQTRA-UHFFFAOYSA-N -1 1 376.659 3.808 20 10 GHCDMM O=C(Cc1coc(-c2cccs2)n1)NCc1cccc(Br)c1[O-] ZINC000765769391 1068121903 /nfs/dbraw/zinc/12/19/03/1068121903.db2.gz LUJMJGJXHOKUOX-UHFFFAOYSA-N -1 1 393.262 3.730 20 10 GHCDMM CCc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000765769305 1068121924 /nfs/dbraw/zinc/12/19/24/1068121924.db2.gz LJJGDDRQLGIMPT-UHFFFAOYSA-N -1 1 379.210 3.555 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(Br)cn1 ZINC001470033286 1068534346 /nfs/dbraw/zinc/53/43/46/1068534346.db2.gz PUSICPVBMFYJSX-VIFPVBQESA-N -1 1 384.661 3.764 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001478467651 1078879758 /nfs/dbraw/zinc/87/97/58/1078879758.db2.gz QAWCCQSEAWQSIL-KGLIPLIRSA-N -1 1 397.903 3.681 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCN(c3ccccc3)CC2)c1[O-] ZINC000728194029 835089652 /nfs/dbraw/zinc/08/96/52/835089652.db2.gz FGAFKXBKXURCOA-UHFFFAOYSA-N -1 1 388.467 3.651 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000894076432 844477887 /nfs/dbraw/zinc/47/78/87/844477887.db2.gz MXDZDLOXHDYCCU-AWEZNQCLSA-N -1 1 390.705 3.578 20 10 GHCDMM COC(=O)CN(Cc1cc(Cl)cc(Br)c1[O-])C1CCCC1 ZINC001141374564 843316058 /nfs/dbraw/zinc/31/60/58/843316058.db2.gz KIQLUWJHHMXYCZ-UHFFFAOYSA-N -1 1 376.678 3.726 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1c2ccccc2CC12CCOCC2 ZINC000894966822 854285802 /nfs/dbraw/zinc/28/58/02/854285802.db2.gz PARPWAYWJONVRO-IBGZPJMESA-N -1 1 386.879 3.939 20 10 GHCDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n1 ZINC001128945989 857007465 /nfs/dbraw/zinc/00/74/65/857007465.db2.gz FUDIHAACOYRXGW-UHFFFAOYSA-N -1 1 386.839 3.900 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CNCc1nc2c(s1)COCC2 ZINC000922961122 858899895 /nfs/dbraw/zinc/89/98/95/858899895.db2.gz YEMFHBXUHNHBSJ-UHFFFAOYSA-N -1 1 389.702 3.627 20 10 GHCDMM C[C@H](Cc1ccccc1F)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764761658 859598878 /nfs/dbraw/zinc/59/88/78/859598878.db2.gz CHLXTVWIDGTFRL-LLVKDONJSA-N -1 1 381.245 3.724 20 10 GHCDMM CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000764805285 859616906 /nfs/dbraw/zinc/61/69/06/859616906.db2.gz KDOSLSLBIHAPOF-HOCLYGCPSA-N -1 1 399.329 3.938 20 10 GHCDMM COC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765254372 859872201 /nfs/dbraw/zinc/87/22/01/859872201.db2.gz XUAMSXROXANARZ-UHFFFAOYSA-N -1 1 394.225 3.655 20 10 GHCDMM CC(C)(C)c1nc(CC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765728669 860491403 /nfs/dbraw/zinc/49/14/03/860491403.db2.gz JJTRYKQLFLEOBT-UHFFFAOYSA-N -1 1 383.311 3.768 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000792702434 881626894 /nfs/dbraw/zinc/62/68/94/881626894.db2.gz TVZDCHHRORFLML-SECBINFHSA-N -1 1 385.894 3.892 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1F ZINC000740609438 865956305 /nfs/dbraw/zinc/95/63/05/865956305.db2.gz LKBDJMYKFXDTJD-UHFFFAOYSA-N -1 1 378.469 3.871 20 10 GHCDMM C[C@H]1CN(c2ccc(CNC(=O)c3c([O-])cccc3Cl)cc2F)C[C@H](C)O1 ZINC000920453650 882115899 /nfs/dbraw/zinc/11/58/99/882115899.db2.gz IZEDTYBUNOKIDN-STQMWFEESA-N -1 1 392.858 3.728 20 10 GHCDMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000920882239 882436942 /nfs/dbraw/zinc/43/69/42/882436942.db2.gz XVABEBTXPHQOOH-INIZCTEOSA-N -1 1 376.456 3.873 20 10 GHCDMM O=C(Nc1ccnc(Cl)c1OC(F)(F)F)c1ccc(O)c([O-])c1Cl ZINC001193219048 870951668 /nfs/dbraw/zinc/95/16/68/870951668.db2.gz FYQIZFVPLDUHPE-UHFFFAOYSA-N -1 1 383.109 3.951 20 10 GHCDMM Cc1cc(CC[N-]S(=O)(=O)c2cc(F)ccc2F)c(C)n1-c1ccccc1 ZINC001193234160 870964540 /nfs/dbraw/zinc/96/45/40/870964540.db2.gz NMEZNWPNQSLYOT-UHFFFAOYSA-N -1 1 390.455 3.893 20 10 GHCDMM CC(=O)c1cc(F)cc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)c1O ZINC001197531018 873859173 /nfs/dbraw/zinc/85/91/73/873859173.db2.gz AAGZEJBPQSHXCG-UHFFFAOYSA-N -1 1 378.831 3.826 20 10 GHCDMM CC(C)c1ccc(NC(=S)NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)cc1 ZINC000769791849 874292239 /nfs/dbraw/zinc/29/22/39/874292239.db2.gz HBJPPISGPSXAGW-UHFFFAOYSA-N -1 1 399.524 3.724 20 10 GHCDMM CCO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000770626023 874804823 /nfs/dbraw/zinc/80/48/23/874804823.db2.gz OLBGRIUNNGQKBN-MRXNPFEDSA-N -1 1 393.281 3.732 20 10 GHCDMM CC[C@H](C)[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000772522283 875994473 /nfs/dbraw/zinc/99/44/73/875994473.db2.gz HDPHRMUHZLJNDA-QPUJVOFHSA-N -1 1 383.208 3.931 20 10 GHCDMM CCc1nn(C)cc1NCc1cc(Br)cc(Br)c1[O-] ZINC000776256134 876066154 /nfs/dbraw/zinc/06/61/54/876066154.db2.gz LGDGQLIGIVIEKW-UHFFFAOYSA-N -1 1 389.091 3.825 20 10 GHCDMM Cc1sc(CC(=O)NCc2cccc(Br)c2[O-])nc1C(C)C ZINC000790064942 879440022 /nfs/dbraw/zinc/44/00/22/879440022.db2.gz AJRDAXNFVAATTG-UHFFFAOYSA-N -1 1 383.311 3.902 20 10 GHCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(I)cn1 ZINC000790245605 879546409 /nfs/dbraw/zinc/54/64/09/879546409.db2.gz HGZHUMRGTJOFGZ-UHFFFAOYSA-N -1 1 378.572 3.796 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCc1cccc2c1CCCN2 ZINC000841995649 884504355 /nfs/dbraw/zinc/50/43/55/884504355.db2.gz SUONNBOUWUZLRL-UHFFFAOYSA-N -1 1 390.281 3.512 20 10 GHCDMM CC[C@@H](C)n1c(=O)[nH]c(C)c(NCc2cc(Cl)c3cccnc3c2[O-])c1=O ZINC001168524264 884539873 /nfs/dbraw/zinc/53/98/73/884539873.db2.gz YJPVVUUHOZZEDC-SNVBAGLBSA-N -1 1 388.855 3.748 20 10 GHCDMM Cc1ccccc1CO[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000861332543 885404161 /nfs/dbraw/zinc/40/41/61/885404161.db2.gz GMGFRMOHUVDACN-CYBMUJFWSA-N -1 1 378.266 3.685 20 10 GHCDMM O=C(COC(=O)c1cccc(Br)c1Cl)c1ccc([O-])c(O)c1 ZINC000784599433 886709892 /nfs/dbraw/zinc/70/98/92/886709892.db2.gz CHJXYEUSDXQQPQ-UHFFFAOYSA-N -1 1 385.597 3.553 20 10 GHCDMM O=C([O-])[C@@H](CCCc1ccccc1)[NH2+]Cc1c([O-])cccc1Br ZINC000864507078 887811537 /nfs/dbraw/zinc/81/15/37/887811537.db2.gz HDGGLZDMELULMM-MRXNPFEDSA-N -1 1 378.266 3.720 20 10 GHCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cccc1N1C(=O)N[C@@H](C)C1=O ZINC000809787242 887841096 /nfs/dbraw/zinc/84/10/96/887841096.db2.gz XCWUNSSEVCAOEA-JTQLQIEISA-N -1 1 377.803 3.550 20 10 GHCDMM Cc1cc(OCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Cl ZINC000916591411 889153962 /nfs/dbraw/zinc/15/39/62/889153962.db2.gz KAXVUPFQOGOYLE-UHFFFAOYSA-N -1 1 378.808 3.645 20 10 GHCDMM CC1(C)C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811777232 889949579 /nfs/dbraw/zinc/94/95/79/889949579.db2.gz AZFVAIUZFBGUJC-UGKGYDQZSA-N -1 1 381.472 3.718 20 10 GHCDMM CC1(C)C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811777232 889949588 /nfs/dbraw/zinc/94/95/88/889949588.db2.gz AZFVAIUZFBGUJC-UGKGYDQZSA-N -1 1 381.472 3.718 20 10 GHCDMM COC(=O)[C@@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccc(F)cc1 ZINC000812881300 891061644 /nfs/dbraw/zinc/06/16/44/891061644.db2.gz ZJGATUVWYVQBLI-IBGZPJMESA-N -1 1 379.815 3.565 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1[O-] ZINC000748049536 894565106 /nfs/dbraw/zinc/56/51/06/894565106.db2.gz GZIDKVPRBRAPBM-GOSISDBHSA-N -1 1 390.842 3.625 20 10 GHCDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000879814933 895314479 /nfs/dbraw/zinc/31/44/79/895314479.db2.gz XTJPCCUSENVTKT-GFCCVEGCSA-N -1 1 395.381 3.762 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC001175196143 907408587 /nfs/dbraw/zinc/40/85/87/907408587.db2.gz WLKSVVDPPSCCKI-ABAIWWIYSA-N -1 1 382.888 3.736 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1[O-] ZINC000245957582 910022611 /nfs/dbraw/zinc/02/26/11/910022611.db2.gz CDORFMMFTBBSLA-UYAOXDASSA-N -1 1 389.879 3.573 20 10 GHCDMM CC[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC001180409624 910151735 /nfs/dbraw/zinc/15/17/35/910151735.db2.gz FNLPUZXDBBNHSK-IBGZPJMESA-N -1 1 382.888 3.842 20 10 GHCDMM Cc1c(C)c([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)ccc1O ZINC001189036385 916356432 /nfs/dbraw/zinc/35/64/32/916356432.db2.gz JHIHOPFIZZREIL-UHFFFAOYSA-N -1 1 392.221 3.851 20 10 GHCDMM COc1ccc(Cl)cc1-c1nc(SCC(=O)c2ccc([O-])c(O)c2)n[nH]1 ZINC000006463880 917027892 /nfs/dbraw/zinc/02/78/92/917027892.db2.gz SVQCGNGVZCYBJT-UHFFFAOYSA-N -1 1 391.836 3.520 20 10 GHCDMM Cc1cc(Br)c([O-])c(CNc2cccn(CC(F)(F)F)c2=O)c1 ZINC000902244133 922025632 /nfs/dbraw/zinc/02/56/32/922025632.db2.gz YONJRWUCOMERCN-UHFFFAOYSA-N -1 1 391.187 3.799 20 10 GHCDMM Cc1oc2c(ccc([O-])c2CN2CCC(C)(O)CC2)c(=O)c1-c1ccccc1 ZINC000759747293 930473657 /nfs/dbraw/zinc/47/36/57/930473657.db2.gz RKJOMRHBEKNUTM-UHFFFAOYSA-N -1 1 379.456 3.821 20 10 GHCDMM CC[C@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CCCO1 ZINC000798964910 932843070 /nfs/dbraw/zinc/84/30/70/932843070.db2.gz RATJMBWKBGLATQ-LBPRGKRZSA-N -1 1 393.119 3.918 20 10 GHCDMM Cc1cncc(COCc2cnc3n2CCN(Cc2c([O-])cccc2F)[C@@H]3C)c1 ZINC001137835287 935814870 /nfs/dbraw/zinc/81/48/70/935814870.db2.gz BGNKIVNFHULLHI-MRXNPFEDSA-N -1 1 396.466 3.725 20 10 GHCDMM CN(C)c1cc(F)c(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1F ZINC001598305760 991261422 /nfs/dbraw/zinc/26/14/22/991261422.db2.gz MVNAXTXHMQKPJU-INIZCTEOSA-N -1 1 399.235 3.709 20 10 GHCDMM CCCC[C@@H](CC)COCCCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155230722 1032464120 /nfs/dbraw/zinc/46/41/20/1032464120.db2.gz BBPLVPFWXPVLDM-CQSZACIVSA-N -1 1 391.464 3.557 20 10 GHCDMM Nc1ccc(-c2ccc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cc2)cc1 ZINC001155228843 1032464349 /nfs/dbraw/zinc/46/43/49/1032464349.db2.gz ZZDDFEZOMXDAPT-UHFFFAOYSA-N -1 1 388.379 3.706 20 10 GHCDMM C[C@]12CC3CC(NC(=O)c4cc5cc(O)c([O-])cc5oc4=O)(C1)C[C@@](C)(C3)C2 ZINC001155232311 1032465529 /nfs/dbraw/zinc/46/55/29/1032465529.db2.gz RQGDPTINMBQJJE-UTHYDAQYSA-N -1 1 383.444 3.683 20 10 GHCDMM C[C@@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)c1cnc2ccccn21 ZINC001227581077 1032470826 /nfs/dbraw/zinc/47/08/26/1032470826.db2.gz VXYCDOADLDDEEO-CYBMUJFWSA-N -1 1 384.391 3.955 20 10 GHCDMM C[C@H](COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)Oc1ccccc1 ZINC001228108350 1032786256 /nfs/dbraw/zinc/78/62/56/1032786256.db2.gz FWOJMXIYIZNFFY-CQSZACIVSA-N -1 1 380.396 3.881 20 10 GHCDMM C[C@@H]1c2cnccc2C[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228111108 1032788402 /nfs/dbraw/zinc/78/84/02/1032788402.db2.gz REQHQTIOROJBIS-BLVKFPJESA-N -1 1 377.396 3.537 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1COCc2ccccc21 ZINC001228115327 1032790128 /nfs/dbraw/zinc/79/01/28/1032790128.db2.gz NVKTZKQRQKTVGG-LJQANCHMSA-N -1 1 378.380 3.685 20 10 GHCDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000836743281 1023331138 /nfs/dbraw/zinc/33/11/38/1023331138.db2.gz RUSBVMWWTDYNNQ-UHFFFAOYSA-N -1 1 395.381 3.543 20 10 GHCDMM CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1C ZINC001141373098 1024760973 /nfs/dbraw/zinc/76/09/73/1024760973.db2.gz NDARBNMBOOFRKZ-MFKMUULPSA-N -1 1 390.705 3.972 20 10 GHCDMM COc1ccccc1-c1nnc(NC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001218334184 1030899946 /nfs/dbraw/zinc/89/99/46/1030899946.db2.gz OLAMOUMHPIVKIM-UHFFFAOYSA-N -1 1 390.852 3.894 20 10 GHCDMM CN1CCc2cc(NCc3cc(Br)cc(F)c3[O-])ccc2C1=O ZINC001461732319 1069708641 /nfs/dbraw/zinc/70/86/41/1069708641.db2.gz SJHUBSUFBRDTGD-UHFFFAOYSA-N -1 1 379.229 3.534 20 10 GHCDMM Cc1ccc([C@H](C)Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001229790940 1033717762 /nfs/dbraw/zinc/71/77/62/1033717762.db2.gz LMRNSKLOERQCFQ-LBPRGKRZSA-N -1 1 396.395 3.894 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001159033153 1034392632 /nfs/dbraw/zinc/39/26/32/1034392632.db2.gz CHOYUPRKLBAAGD-GOSISDBHSA-N -1 1 376.859 3.856 20 10 GHCDMM O=C([O-])c1ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC001231466171 1034609698 /nfs/dbraw/zinc/60/96/98/1034609698.db2.gz OJHNHSXHCADRAI-UHFFFAOYSA-N -1 1 386.395 3.667 20 10 GHCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3cccc(Cl)c3Cl)CC2)c1 ZINC001231560670 1034711470 /nfs/dbraw/zinc/71/14/70/1034711470.db2.gz NXBLPGBECPMTRC-UHFFFAOYSA-N -1 1 381.259 3.719 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN1CCN(CCOc2ccccc2Cl)CC1 ZINC001462010499 1069943637 /nfs/dbraw/zinc/94/36/37/1069943637.db2.gz UOOPASNJDKUDNA-UHFFFAOYSA-N -1 1 382.838 3.520 20 10 GHCDMM COc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c([N+](=O)[O-])c1 ZINC001248478304 1035904954 /nfs/dbraw/zinc/90/49/54/1035904954.db2.gz OAIUKFUHYGVJRZ-UHFFFAOYSA-N -1 1 390.351 3.828 20 10 GHCDMM O=C1NCCN(Cc2ccc(Cl)cc2[O-])[C@H]1c1ccccc1C(F)(F)F ZINC001462072513 1069980070 /nfs/dbraw/zinc/98/00/70/1069980070.db2.gz KDQODUPHFJRZBV-INIZCTEOSA-N -1 1 384.785 3.738 20 10 GHCDMM CCc1noc([C@@H]2CCCN(Cc3c([O-])cc(Br)cc3F)C2)n1 ZINC001233030579 1038782257 /nfs/dbraw/zinc/78/22/57/1038782257.db2.gz ZBYZJNNCFMHBGH-SNVBAGLBSA-N -1 1 384.249 3.619 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001233030894 1038782652 /nfs/dbraw/zinc/78/26/52/1038782652.db2.gz RDJGJHMSHHQGTO-UHFFFAOYSA-N -1 1 398.247 3.917 20 10 GHCDMM O=C(C1CCN(Cc2c([O-])cc(Br)cc2F)CC1)N1CCCCC1 ZINC001233031681 1038785514 /nfs/dbraw/zinc/78/55/14/1038785514.db2.gz LHDMAOCIBAVHKX-UHFFFAOYSA-N -1 1 399.304 3.518 20 10 GHCDMM Cc1ccccc1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419349 1039280897 /nfs/dbraw/zinc/28/08/97/1039280897.db2.gz UOUWTQFITXMCJD-UHFFFAOYSA-N -1 1 378.394 3.677 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001233495617 1039390236 /nfs/dbraw/zinc/39/02/36/1039390236.db2.gz PVLWSEIEVKLZED-JOCQHMNTSA-N -1 1 379.453 3.857 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001234476498 1040061170 /nfs/dbraw/zinc/06/11/70/1040061170.db2.gz MQTYTCNRSOTFNT-LJQANCHMSA-N -1 1 377.387 3.589 20 10 GHCDMM COc1cc(C[N@@H+](C)Cc2cc(Br)cc(F)c2[O-])cc(OC)c1 ZINC001235063766 1040552854 /nfs/dbraw/zinc/55/28/54/1040552854.db2.gz AEGDKLXHUBGALH-UHFFFAOYSA-N -1 1 384.245 3.943 20 10 GHCDMM CCOC(=O)C1(CC)CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235306303 1040778038 /nfs/dbraw/zinc/77/80/38/1040778038.db2.gz SUFADJKIPZIKHY-UHFFFAOYSA-N -1 1 388.277 3.849 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CC[C@H](N3CCCC3)C(F)(F)C2)c1 ZINC001236670813 1041818708 /nfs/dbraw/zinc/81/87/08/1041818708.db2.gz QTBCYDKVJGTXAJ-HNNXBMFYSA-N -1 1 389.284 3.769 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001236792487 1041898201 /nfs/dbraw/zinc/89/82/01/1041898201.db2.gz HIZFQKSYQQVVLH-CQSZACIVSA-N -1 1 396.318 3.954 20 10 GHCDMM C[C@@H]1CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])[C@@H]1CO ZINC001237784952 1042368208 /nfs/dbraw/zinc/36/82/08/1042368208.db2.gz ZPHRXMZICWUCQA-NOZJJQNGSA-N -1 1 382.220 3.766 20 10 GHCDMM CCn1ncc2c1CN(Cc1cc(F)c(Cl)cc1[O-])C[C@@H]2COCC1CC1 ZINC001237939101 1042429395 /nfs/dbraw/zinc/42/93/95/1042429395.db2.gz SUUDUURXYPWCBK-OAHLLOKOSA-N -1 1 393.890 3.927 20 10 GHCDMM O=S(=O)([N-]c1cc(F)c(C(F)(F)F)cc1F)c1cccc2nsnc21 ZINC001260387981 1045486423 /nfs/dbraw/zinc/48/64/23/1045486423.db2.gz JIKSTIRURHADIQ-UHFFFAOYSA-N -1 1 395.334 3.789 20 10 GHCDMM Nc1ccc(C(F)(F)F)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC001297438301 1045523383 /nfs/dbraw/zinc/52/33/83/1045523383.db2.gz AGXLVKADYLZMTF-UHFFFAOYSA-N -1 1 389.171 3.686 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(F)cc1Cl ZINC001261073740 1045890572 /nfs/dbraw/zinc/89/05/72/1045890572.db2.gz UGHLDYPLXNOWCD-UHFFFAOYSA-N -1 1 376.196 3.778 20 10 GHCDMM CC(C)[C@H](C(=O)NCc1cccc(Cl)c1[O-])[C@@H](C)NC(=O)OC(C)(C)C ZINC001305084531 1047886835 /nfs/dbraw/zinc/88/68/35/1047886835.db2.gz KTFRQHPKFJOFLQ-DOMZBBRYSA-N -1 1 384.904 3.847 20 10 GHCDMM CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCc1cccc(Cl)c1[O-])C2 ZINC001305084000 1047887497 /nfs/dbraw/zinc/88/74/97/1047887497.db2.gz DVCLXNXKDIJJBD-UHFFFAOYSA-N -1 1 394.899 3.842 20 10 GHCDMM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753780534 1049876234 /nfs/dbraw/zinc/87/62/34/1049876234.db2.gz RTNLJAJTEHRQCN-UHFFFAOYSA-N -1 1 381.425 3.771 20 10 GHCDMM C[C@H](Nc1ccc(CCC(N)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC001320134298 1055669406 /nfs/dbraw/zinc/66/94/06/1055669406.db2.gz VTDTXNDPRMDKKN-JTQLQIEISA-N -1 1 381.245 3.885 20 10 GHCDMM C[C@@]1(CO)CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001323451311 1056971853 /nfs/dbraw/zinc/97/18/53/1056971853.db2.gz FNIOHDCXGXXBBQ-CQSZACIVSA-N -1 1 393.119 3.512 20 10 GHCDMM Cc1cc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)c(C)n1-c1ccc(F)cn1 ZINC001473011112 1057390922 /nfs/dbraw/zinc/39/09/22/1057390922.db2.gz IGROZTAEXQPZNQ-UHFFFAOYSA-N -1 1 386.452 3.716 20 10 GHCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC001441635116 1058831332 /nfs/dbraw/zinc/83/13/32/1058831332.db2.gz ZNWRSFVTUFSZRA-UHFFFAOYSA-N -1 1 396.434 3.894 20 10 GHCDMM COc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])c(C(F)(F)F)n1 ZINC001467025553 1067019833 /nfs/dbraw/zinc/01/98/33/1067019833.db2.gz OWOCGCNRPUOBRJ-UHFFFAOYSA-N -1 1 375.734 3.790 20 10 GHCDMM O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(Br)c3[O-])cc2N1 ZINC000764935338 1068103835 /nfs/dbraw/zinc/10/38/35/1068103835.db2.gz RRRTUYPIAYKVHI-UHFFFAOYSA-N -1 1 392.209 3.560 20 10 GHCDMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1O ZINC001471195105 1072961781 /nfs/dbraw/zinc/96/17/81/1072961781.db2.gz BUIJVMHKJIBAEW-HNNXBMFYSA-N -1 1 396.468 3.684 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1COc2ccc(Br)cc21 ZINC001472316735 1073416794 /nfs/dbraw/zinc/41/67/94/1073416794.db2.gz FPJDRIWHPSZMHZ-GFCCVEGCSA-N -1 1 382.641 3.601 20 10 GHCDMM O=C(NCCc1sccc1Br)NCc1cccc(Cl)c1[O-] ZINC001479185173 1079141385 /nfs/dbraw/zinc/14/13/85/1079141385.db2.gz AKJOWUPURFDCEM-UHFFFAOYSA-N -1 1 389.702 3.912 20 10 GHCDMM CN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC001474366919 1074367037 /nfs/dbraw/zinc/36/70/37/1074367037.db2.gz HMZRRYRTSAYJAB-INIZCTEOSA-N -1 1 393.256 3.531 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC001475986387 1075064053 /nfs/dbraw/zinc/06/40/53/1075064053.db2.gz OREKJFCRBMQLEX-UHFFFAOYSA-N -1 1 383.835 3.577 20 10 GHCDMM CC1CCN(c2ccc(CNc3snc(Cl)c3-c3nnn[n-]3)cc2)CC1 ZINC000736280246 598503075 /nfs/dbraw/zinc/50/30/75/598503075.db2.gz PHHOYDLNUFTNFK-UHFFFAOYSA-N -1 1 389.916 3.825 20 10 GHCDMM CC1CCN(c2ccc(CNc3snc(Cl)c3-c3nn[n-]n3)cc2)CC1 ZINC000736280246 598503077 /nfs/dbraw/zinc/50/30/77/598503077.db2.gz PHHOYDLNUFTNFK-UHFFFAOYSA-N -1 1 389.916 3.825 20 10 GHCDMM O=C([O-])C[N@H+](Cc1cc(Cl)nc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739793135 600145037 /nfs/dbraw/zinc/14/50/37/600145037.db2.gz AIYGSXVLBHQSHH-UHFFFAOYSA-N -1 1 375.639 3.834 20 10 GHCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)nc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739793135 600145038 /nfs/dbraw/zinc/14/50/38/600145038.db2.gz AIYGSXVLBHQSHH-UHFFFAOYSA-N -1 1 375.639 3.834 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833030229 601819906 /nfs/dbraw/zinc/81/99/06/601819906.db2.gz RNDYJFBILDJVAB-CXAGYDPISA-N -1 1 393.439 3.627 20 10 GHCDMM CCOc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(Cl)c1[O-] ZINC000186841314 837437880 /nfs/dbraw/zinc/43/78/80/837437880.db2.gz LUNZUWJBVIXTQU-UHFFFAOYSA-N -1 1 376.840 3.550 20 10 GHCDMM Cc1noc(C2CCN(Cc3cc(Cl)cc(Br)c3[O-])CC2)n1 ZINC000893962579 844276889 /nfs/dbraw/zinc/27/68/89/844276889.db2.gz NPASZVDTNGQKBN-UHFFFAOYSA-N -1 1 386.677 3.879 20 10 GHCDMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cccc(Br)c1[O-])N2 ZINC000106899673 842384402 /nfs/dbraw/zinc/38/44/02/842384402.db2.gz KBEOMBODWLIQGE-KRWDZBQOSA-N -1 1 389.249 3.892 20 10 GHCDMM CC(C)(C)[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277319766 845702679 /nfs/dbraw/zinc/70/26/79/845702679.db2.gz DJROHTXBXHVZEP-TZMCWYRMSA-N -1 1 385.302 3.548 20 10 GHCDMM Cc1csc([C@H](NC(=O)NCc2cccc(Br)c2[O-])C2CC2)n1 ZINC000277688630 847557186 /nfs/dbraw/zinc/55/71/86/847557186.db2.gz GLTOYHLKGGPKAN-CYBMUJFWSA-N -1 1 396.310 3.870 20 10 GHCDMM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895073774 855465231 /nfs/dbraw/zinc/46/52/31/855465231.db2.gz MBGDTKFXHLNOKM-GFCCVEGCSA-N -1 1 385.892 3.538 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc2ccccc21 ZINC000765904762 856029358 /nfs/dbraw/zinc/02/93/58/856029358.db2.gz UXHNQFQAKYYPNO-UHFFFAOYSA-N -1 1 399.244 3.563 20 10 GHCDMM Cc1cc2c(cc1C)[C@H](C(=O)NCc1cccc(Br)c1[O-])CO2 ZINC000765757002 856333600 /nfs/dbraw/zinc/33/36/00/856333600.db2.gz PJAPTLMKFNXKKA-CQSZACIVSA-N -1 1 376.250 3.564 20 10 GHCDMM Cc1nc2sc3c(c2c(NCC(=O)c2ccc([O-])c(O)c2)n1)CC[C@@H](C)C3 ZINC001170316454 881346960 /nfs/dbraw/zinc/34/69/60/881346960.db2.gz RWGMQICCDCHEPK-SNVBAGLBSA-N -1 1 383.473 3.831 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1COc2ccc(Cl)cc21 ZINC000764798425 859612157 /nfs/dbraw/zinc/61/21/57/859612157.db2.gz RXOFVKRUZRZSGX-CYBMUJFWSA-N -1 1 397.656 3.741 20 10 GHCDMM COCCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000764798402 859613003 /nfs/dbraw/zinc/61/30/03/859613003.db2.gz RLURRXKFVPOQOM-UHFFFAOYSA-N -1 1 385.302 3.551 20 10 GHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(F)cc1F ZINC000764789474 859619742 /nfs/dbraw/zinc/61/97/42/859619742.db2.gz FSKKVBPNYHSWLO-VIFPVBQESA-N -1 1 385.208 3.993 20 10 GHCDMM CCC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765241976 859860951 /nfs/dbraw/zinc/86/09/51/859860951.db2.gz JEJCCQNFQHUOGM-UHFFFAOYSA-N -1 1 392.253 3.825 20 10 GHCDMM CC(C)(C)[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000765344203 859922050 /nfs/dbraw/zinc/92/20/50/859922050.db2.gz AKRFMUCVCZSMTC-LLVKDONJSA-N -1 1 383.208 3.931 20 10 GHCDMM CCN(C)c1ccccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765493147 860003653 /nfs/dbraw/zinc/00/36/53/860003653.db2.gz KKGZKNONMJKZNQ-UHFFFAOYSA-N -1 1 392.297 3.610 20 10 GHCDMM Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765501511 860020180 /nfs/dbraw/zinc/02/01/80/860020180.db2.gz SWKFOPHHDYACOJ-UHFFFAOYSA-N -1 1 392.297 3.529 20 10 GHCDMM Cc1cccc(C)c1OCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765730369 860501394 /nfs/dbraw/zinc/50/13/94/860501394.db2.gz AKDIOPMTBQMJJU-UHFFFAOYSA-N -1 1 378.266 3.857 20 10 GHCDMM CCOc1ncc(C(=O)NCc2cccc(Br)c2[O-])cc1Cl ZINC000765735237 860519968 /nfs/dbraw/zinc/51/99/68/860519968.db2.gz FGVYPZFBLGCIEY-UHFFFAOYSA-N -1 1 385.645 3.532 20 10 GHCDMM COc1cccc([C@H]2C[C@H]2C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765735273 860520161 /nfs/dbraw/zinc/52/01/61/860520161.db2.gz FYCNWNBREVEROB-HUUCEWRRSA-N -1 1 376.250 3.583 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1-c1ccccc1F ZINC000765735871 860538279 /nfs/dbraw/zinc/53/82/79/860538279.db2.gz IRBFDVHFIJXBCL-UHFFFAOYSA-N -1 1 390.212 3.614 20 10 GHCDMM CC[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccc(OC)cc1 ZINC000765750505 860563230 /nfs/dbraw/zinc/56/32/30/860563230.db2.gz HLOURDBHFGOCFY-HNNXBMFYSA-N -1 1 378.266 3.973 20 10 GHCDMM CCN(CC)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765751565 860568161 /nfs/dbraw/zinc/56/81/61/860568161.db2.gz GKTBPXKZSLMGIM-UHFFFAOYSA-N -1 1 377.282 3.931 20 10 GHCDMM COc1ccc(/C=C/C(=O)NCc2cccc(Br)c2[O-])cc1OC ZINC000765751909 860569535 /nfs/dbraw/zinc/56/95/35/860569535.db2.gz UOEMPAIQSXJXID-VQHVLOKHSA-N -1 1 392.249 3.502 20 10 GHCDMM O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000840998363 868234279 /nfs/dbraw/zinc/23/42/79/868234279.db2.gz BEKUMQDTHRCAQT-MRXNPFEDSA-N -1 1 378.266 3.720 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@]1(C)CCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193231971 870960958 /nfs/dbraw/zinc/96/09/58/870960958.db2.gz CVJXSPFXHDGOFK-IBGZPJMESA-N -1 1 398.887 3.518 20 10 GHCDMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193233469 870963062 /nfs/dbraw/zinc/96/30/62/870963062.db2.gz ZVFRQSCIWFTDKT-UHFFFAOYSA-N -1 1 375.730 3.922 20 10 GHCDMM CN(CC(=O)Nc1ccccc1Br)Cc1cccc(Cl)c1[O-] ZINC000775643059 872219099 /nfs/dbraw/zinc/21/90/99/872219099.db2.gz LWATVHZGXLSXBP-UHFFFAOYSA-N -1 1 383.673 3.879 20 10 GHCDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)n1 ZINC001195260935 872289855 /nfs/dbraw/zinc/28/98/55/872289855.db2.gz AZWSOVDXWUTNDA-WCWDXBQESA-N -1 1 379.376 3.960 20 10 GHCDMM O=C(CNC(=O)c1ccc(-c2ccc(F)cc2F)cc1)c1ccc([O-])c(O)c1 ZINC001195832188 872701922 /nfs/dbraw/zinc/70/19/22/872701922.db2.gz MRTBFURLFXOCLQ-UHFFFAOYSA-N -1 1 383.350 3.656 20 10 GHCDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1 ZINC000767713886 872778718 /nfs/dbraw/zinc/77/87/18/872778718.db2.gz BLBDLTJQZUUTHW-UHFFFAOYSA-N -1 1 390.505 3.885 20 10 GHCDMM Oc1cccc(Br)c1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000858094796 882838905 /nfs/dbraw/zinc/83/89/05/882838905.db2.gz JDFMFPOEIZYDNC-UHFFFAOYSA-N -1 1 391.187 3.781 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c1[O-] ZINC000776036211 875243245 /nfs/dbraw/zinc/24/32/45/875243245.db2.gz CZQVQLCTYZUPLC-UHFFFAOYSA-N -1 1 380.916 3.717 20 10 GHCDMM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c([O-])cccc1F ZINC000772015518 875615725 /nfs/dbraw/zinc/61/57/25/875615725.db2.gz HLRSJZMJXQHVFD-UHFFFAOYSA-N -1 1 380.366 3.532 20 10 GHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(Oc2ccncc2)cc1 ZINC001201624396 875798593 /nfs/dbraw/zinc/79/85/93/875798593.db2.gz DCGWXRYUNUNONJ-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1O ZINC000772383014 875931738 /nfs/dbraw/zinc/93/17/38/875931738.db2.gz GNNIWJKVSQNIHW-HNNXBMFYSA-N -1 1 398.356 3.801 20 10 GHCDMM Cc1cccc2nc(CNC(=O)NCc3cc(Cl)cc(Cl)c3[O-])[nH]c21 ZINC000805245368 883688791 /nfs/dbraw/zinc/68/87/91/883688791.db2.gz NGIXCCALLPIFQK-UHFFFAOYSA-N -1 1 379.247 3.883 20 10 GHCDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1C ZINC000863432743 887103314 /nfs/dbraw/zinc/10/33/14/887103314.db2.gz GMFLDHPENCIYAM-UHFFFAOYSA-N -1 1 389.477 3.574 20 10 GHCDMM CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000809684816 887704775 /nfs/dbraw/zinc/70/47/75/887704775.db2.gz OVZQEDWQTUVZHK-LLVKDONJSA-N -1 1 386.876 3.874 20 10 GHCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])c2ccccc2n1 ZINC000809885387 887924337 /nfs/dbraw/zinc/92/43/37/887924337.db2.gz FXSAKWOPBOUAAC-UHFFFAOYSA-N -1 1 386.249 3.755 20 10 GHCDMM C=Cc1ccc(CCNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000812922016 891126750 /nfs/dbraw/zinc/12/67/50/891126750.db2.gz WKVNBRPZJUFRDD-UHFFFAOYSA-N -1 1 375.266 3.840 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000774874316 913849672 /nfs/dbraw/zinc/84/96/72/913849672.db2.gz BLXCELFWQRFABL-MRXNPFEDSA-N -1 1 396.802 3.675 20 10 GHCDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1nnc2n1CCCCC2 ZINC000882886107 897077450 /nfs/dbraw/zinc/07/74/50/897077450.db2.gz DQZFEYOHOIMVBA-JTQLQIEISA-N -1 1 399.720 3.977 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000190185609 905840962 /nfs/dbraw/zinc/84/09/62/905840962.db2.gz GSBVTCMNHDUDEC-NRFANRHFSA-N -1 1 381.472 3.720 20 10 GHCDMM Cn1nc(C(F)(F)F)cc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174326480 906986711 /nfs/dbraw/zinc/98/67/11/906986711.db2.gz SHFXXKVTVSUVTB-UHFFFAOYSA-N -1 1 387.317 3.664 20 10 GHCDMM C[S@](=O)c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001175483604 907569824 /nfs/dbraw/zinc/56/98/24/907569824.db2.gz NGKAWQNFMLDFIU-MHZLTWQESA-N -1 1 377.421 3.649 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001180043042 909910281 /nfs/dbraw/zinc/91/02/81/909910281.db2.gz OSIQNCUZBRXCHG-CYBMUJFWSA-N -1 1 399.329 3.904 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnn(Cc2ccccc2)c1Cl ZINC001180409844 910151326 /nfs/dbraw/zinc/15/13/26/910151326.db2.gz GNIBHLKNJHLLRW-UHFFFAOYSA-N -1 1 376.243 3.874 20 10 GHCDMM COc1c([O-])c(CN2CCc3cc(Br)ccc3C2)ccc1[N+](=O)[O-] ZINC000775110592 915191865 /nfs/dbraw/zinc/19/18/65/915191865.db2.gz GKSIFKMTEZXLJP-UHFFFAOYSA-N -1 1 393.237 3.630 20 10 GHCDMM Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000775148034 915568761 /nfs/dbraw/zinc/56/87/61/915568761.db2.gz WRINMSMUBYUKRA-IINYFYTJSA-N -1 1 382.220 3.598 20 10 GHCDMM O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc(Oc2cccnc2)cc1 ZINC001188886374 916277359 /nfs/dbraw/zinc/27/73/59/916277359.db2.gz QXJWXLWFADXRDT-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189043458 916364493 /nfs/dbraw/zinc/36/44/93/916364493.db2.gz WEPDMKQETUHLPO-UHFFFAOYSA-N -1 1 392.221 3.851 20 10 GHCDMM CC[C@@](O)(C(=O)NCc1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000800554754 920267485 /nfs/dbraw/zinc/26/74/85/920267485.db2.gz CCCYTUFXAAUZJR-KRWDZBQOSA-N -1 1 398.684 3.722 20 10 GHCDMM Cc1oc2c(ccc([O-])c2CN2CCOC[C@@H](C)C2)c(=O)c1-c1ccccc1 ZINC000753986335 929622761 /nfs/dbraw/zinc/62/27/61/929622761.db2.gz MLKGTFDHFRZRFO-HNNXBMFYSA-N -1 1 379.456 3.942 20 10 GHCDMM O=C(COC(=O)c1ccccc1COc1ccccc1)c1ccc([O-])c(O)c1 ZINC000782370609 931195123 /nfs/dbraw/zinc/19/51/23/931195123.db2.gz WDIFGONBZLKMPY-UHFFFAOYSA-N -1 1 378.380 3.717 20 10 GHCDMM Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000929527452 933485922 /nfs/dbraw/zinc/48/59/22/933485922.db2.gz PJHCTSTTYLRPBT-UHFFFAOYSA-N -1 1 387.867 3.912 20 10 GHCDMM [O-]c1cccc(F)c1CN1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001137834930 935814102 /nfs/dbraw/zinc/81/41/02/935814102.db2.gz ZBJJNEHVAUAQAO-KRWDZBQOSA-N -1 1 385.483 3.664 20 10 GHCDMM C[C@@H](N[C@@H](CCO)c1ccccc1Br)c1cc(C(=O)[O-])ccc1O ZINC001593210533 994250576 /nfs/dbraw/zinc/25/05/76/994250576.db2.gz RAAULAPTMORPSK-BZNIZROVSA-N -1 1 394.265 3.627 20 10 GHCDMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000930051795 1017776364 /nfs/dbraw/zinc/77/63/64/1017776364.db2.gz SLUOKYSDJSZGRG-UHFFFAOYSA-N -1 1 387.867 3.912 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC001141374469 1024766760 /nfs/dbraw/zinc/76/67/60/1024766760.db2.gz JEYDQCOIHYTPSV-CQSZACIVSA-N -1 1 383.673 3.856 20 10 GHCDMM CCCCOC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141376745 1024773769 /nfs/dbraw/zinc/77/37/69/1024773769.db2.gz CBZWPTJKBGFFCK-LLVKDONJSA-N -1 1 390.705 3.973 20 10 GHCDMM CSCC1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000838652109 1025265554 /nfs/dbraw/zinc/26/55/54/1025265554.db2.gz JESKIDIMAMJEEA-UHFFFAOYSA-N -1 1 387.343 3.876 20 10 GHCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000832795510 1025959038 /nfs/dbraw/zinc/95/90/38/1025959038.db2.gz GXOHGGAUSLWNED-BMIGLBTASA-N -1 1 399.340 3.858 20 10 GHCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000840915804 1027949975 /nfs/dbraw/zinc/94/99/75/1027949975.db2.gz TXVTYOWTLNOFPP-UHFFFAOYSA-N -1 1 377.462 3.568 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)cc1CN1CCOCC1 ZINC001217055742 1030126707 /nfs/dbraw/zinc/12/67/07/1030126707.db2.gz YOASFVASXHVOGE-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c(O)c([O-])cc(O[C@H]3CCOc4ccccc43)c21 ZINC001229197371 1033335553 /nfs/dbraw/zinc/33/55/53/1033335553.db2.gz OEWROZKAKCPBPF-KRWDZBQOSA-N -1 1 388.375 3.776 20 10 GHCDMM CC[C@H]1CCCC[C@H]1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785117 1033712028 /nfs/dbraw/zinc/71/20/28/1033712028.db2.gz DVHWIXASIUKQTH-APPDUMDISA-N -1 1 388.416 3.793 20 10 GHCDMM O=C(Cc1cccc(OCc2cccnc2)c1)NCc1cccc(Cl)c1[O-] ZINC001159033180 1034391972 /nfs/dbraw/zinc/39/19/72/1034391972.db2.gz CXFMMUGESNVGSX-UHFFFAOYSA-N -1 1 382.847 3.879 20 10 GHCDMM COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(C)cc(Br)c1[O-] ZINC001461922747 1069888607 /nfs/dbraw/zinc/88/86/07/1069888607.db2.gz ZRYFGUCKXOAESQ-KRWDZBQOSA-N -1 1 390.277 3.736 20 10 GHCDMM [O-]c1c(F)ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1F ZINC001232938247 1038718330 /nfs/dbraw/zinc/71/83/30/1038718330.db2.gz CEPHBPAMQRWDAB-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM CCC(=O)N(CC)C1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233033692 1038788681 /nfs/dbraw/zinc/78/86/81/1038788681.db2.gz UNJIPQHZKMITFL-UHFFFAOYSA-N -1 1 387.293 3.517 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC(F)(F)C(C)(C)C2)c1 ZINC001233306565 1039099133 /nfs/dbraw/zinc/09/91/33/1039099133.db2.gz VEUYNONEKMTQGA-UHFFFAOYSA-N -1 1 392.240 3.809 20 10 GHCDMM CC[N@@H+](Cc1ccccc1O)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233308700 1039099673 /nfs/dbraw/zinc/09/96/73/1039099673.db2.gz BFGCKGQEHGJTPC-UHFFFAOYSA-N -1 1 394.265 3.669 20 10 GHCDMM CC(C)COC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2ncn(C)c21 ZINC001233416417 1039272051 /nfs/dbraw/zinc/27/20/51/1039272051.db2.gz HJVCDGXXCSOVCA-HNNXBMFYSA-N -1 1 397.441 3.917 20 10 GHCDMM O=C1CCc2cc(N3CCN(Cc4cccc(C(F)(F)F)c4[O-])CC3)ccc21 ZINC001233419551 1039282199 /nfs/dbraw/zinc/28/21/99/1039282199.db2.gz CIPUOSQOQNAVFN-UHFFFAOYSA-N -1 1 390.405 3.862 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001233496390 1039389411 /nfs/dbraw/zinc/38/94/11/1039389411.db2.gz FWFFASHYLAQXGD-UVBSCNOISA-N -1 1 391.464 3.715 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001233497247 1039391069 /nfs/dbraw/zinc/39/10/69/1039391069.db2.gz OBZJAIHJQIFTQB-GUYCJALGSA-N -1 1 397.443 3.807 20 10 GHCDMM CCOC(=O)C(F)(F)[C@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccc(F)cc1 ZINC001234475331 1040059566 /nfs/dbraw/zinc/05/95/66/1040059566.db2.gz FSARRJHOEBVSAS-QGZVFWFLSA-N -1 1 398.333 3.758 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN(c3ncccc3Cl)CC2)c1 ZINC001236668257 1041814315 /nfs/dbraw/zinc/81/43/15/1041814315.db2.gz BKELDKXXAQEGHC-UHFFFAOYSA-N -1 1 396.716 3.834 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1 ZINC001236669375 1041815785 /nfs/dbraw/zinc/81/57/85/1041815785.db2.gz IMKFHZWVNUNTPG-AWEZNQCLSA-N -1 1 385.302 3.862 20 10 GHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001236792485 1041898006 /nfs/dbraw/zinc/89/80/06/1041898006.db2.gz HIZFQKSYQQVVLH-AWEZNQCLSA-N -1 1 396.318 3.954 20 10 GHCDMM CC(C)COC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2ncn(C)c21 ZINC001237121347 1042049580 /nfs/dbraw/zinc/04/95/80/1042049580.db2.gz DAUUQIZKSXGLAQ-CYBMUJFWSA-N -1 1 381.879 3.690 20 10 GHCDMM [O-]c1c(I)cccc1CN1CCOC[C@@H]1c1ccccc1 ZINC001237777664 1042364839 /nfs/dbraw/zinc/36/48/39/1042364839.db2.gz OTTUAQPDMNEOTF-MRXNPFEDSA-N -1 1 395.240 3.570 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCc2nc(Br)sc2C1 ZINC001237936976 1042427901 /nfs/dbraw/zinc/42/79/01/1042427901.db2.gz MTVZEQXAIBJFNB-UHFFFAOYSA-N -1 1 377.666 3.962 20 10 GHCDMM CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2cnn(CC3CC3)c21 ZINC001237936702 1042428133 /nfs/dbraw/zinc/42/81/33/1042428133.db2.gz LIWMYUHJBOGARX-MRXNPFEDSA-N -1 1 393.890 3.927 20 10 GHCDMM CC(C)COC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2ncn(C)c21 ZINC001237938798 1042429681 /nfs/dbraw/zinc/42/96/81/1042429681.db2.gz PLWAEOOCASAFQO-AWEZNQCLSA-N -1 1 381.879 3.690 20 10 GHCDMM O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001294676756 1044759944 /nfs/dbraw/zinc/75/99/44/1044759944.db2.gz DXROBDOHIUQZPF-UHFFFAOYSA-N -1 1 397.452 3.753 20 10 GHCDMM O=S(=O)([N-]c1c(Cl)ccc2ncccc21)c1cccc2nsnc21 ZINC001260388028 1045486479 /nfs/dbraw/zinc/48/64/79/1045486479.db2.gz MDYDQVCMTRFCBJ-UHFFFAOYSA-N -1 1 376.850 3.694 20 10 GHCDMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1Cl)c1cccc2nonc21 ZINC001260441569 1045496973 /nfs/dbraw/zinc/49/69/73/1045496973.db2.gz PMCKUXILFKCZFR-UHFFFAOYSA-N -1 1 378.624 3.984 20 10 GHCDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000748612710 1047519343 /nfs/dbraw/zinc/51/93/43/1047519343.db2.gz MWMPFPZOQFDEEC-UHFFFAOYSA-N -1 1 375.450 3.613 20 10 GHCDMM COc1ccccc1C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC001312620720 1052815099 /nfs/dbraw/zinc/81/50/99/1052815099.db2.gz XOUQDDPJPUGBJB-LBPRGKRZSA-N -1 1 393.281 3.594 20 10 GHCDMM O=C(NCC[C@H]1CCC(F)(F)C1)NCc1cccc(Br)c1[O-] ZINC001313396348 1053041677 /nfs/dbraw/zinc/04/16/77/1053041677.db2.gz ZOOLIPCJCBMSLL-SNVBAGLBSA-N -1 1 377.229 3.779 20 10 GHCDMM COc1ccc2c(c1)[C@@H](C(=O)NCc1cccc(Br)c1[O-])CCC2 ZINC000847932518 1056225008 /nfs/dbraw/zinc/22/50/08/1056225008.db2.gz YFSMIVNVWUPVAW-HNNXBMFYSA-N -1 1 390.277 3.900 20 10 GHCDMM Cc1cn(C(C)(C)C(=O)NCc2cccc(Cl)c2[O-])nc1C(F)(F)F ZINC001457035812 1062955443 /nfs/dbraw/zinc/95/54/43/1062955443.db2.gz KJBBHSCOADMADV-UHFFFAOYSA-N -1 1 375.778 3.621 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(I)c1 ZINC001457038208 1062956805 /nfs/dbraw/zinc/95/68/05/1062956805.db2.gz OEGXNNVNJIAGLW-UHFFFAOYSA-N -1 1 387.604 3.580 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000765109800 1068110256 /nfs/dbraw/zinc/11/02/56/1068110256.db2.gz PYOKRQMMHVDHIR-SFHVURJKSA-N -1 1 392.507 3.750 20 10 GHCDMM O=C([O-])c1ccc2c(C=C3SC(=S)N(c4ccc(F)cc4)C3=O)[nH]nc2c1 ZINC000765498911 1068114351 /nfs/dbraw/zinc/11/43/51/1068114351.db2.gz ANQCFHMWZFIKMI-NVNXTCNLSA-N -1 1 399.428 3.806 20 10 GHCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1-c1ccc(F)cc1F ZINC001472316055 1073417069 /nfs/dbraw/zinc/41/70/69/1073417069.db2.gz JWTKDPVJYZHIFQ-UHFFFAOYSA-N -1 1 377.778 3.748 20 10 GHCDMM Cc1ccc(N2C[C@H](C(=O)NCc3cccc(Cl)c3[O-])CCC2=O)cc1C ZINC001472316913 1073417718 /nfs/dbraw/zinc/41/77/18/1073417718.db2.gz MSUUEADMAFJHGG-MRXNPFEDSA-N -1 1 386.879 3.722 20 10 GHCDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC001474852077 1074593664 /nfs/dbraw/zinc/59/36/64/1074593664.db2.gz JOQFDOPYDWQHHA-UHFFFAOYSA-N -1 1 388.867 3.943 20 10 GHCDMM Cc1sc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1-c1ccc(F)cc1 ZINC000833036857 601139872 /nfs/dbraw/zinc/13/98/72/601139872.db2.gz NJXMWBDXSNJGRZ-UHFFFAOYSA-N -1 1 392.433 3.757 20 10 GHCDMM Cc1cc(C(=O)CN(CCC(=O)[O-])C2CCOCC2)c(C)n1-c1ccccc1C ZINC000832974145 601596152 /nfs/dbraw/zinc/59/61/52/601596152.db2.gz FHICCEJFFLZZRT-UHFFFAOYSA-N -1 1 398.503 3.541 20 10 GHCDMM Cc1oc2c(ccc([O-])c2C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833030245 601819991 /nfs/dbraw/zinc/81/99/91/601819991.db2.gz RNDYJFBILDJVAB-SUMWQHHRSA-N -1 1 393.439 3.627 20 10 GHCDMM Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000822293611 606394120 /nfs/dbraw/zinc/39/41/20/606394120.db2.gz DTTIBGWZQSSBKZ-JYRVWZFOSA-N -1 1 399.526 3.951 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC000171309372 862035205 /nfs/dbraw/zinc/03/52/05/862035205.db2.gz KZVLOCGMNOFSLJ-UHFFFAOYSA-N -1 1 388.470 3.745 20 10 GHCDMM COC1(C(F)(F)F)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895026363 854440488 /nfs/dbraw/zinc/44/04/88/854440488.db2.gz XIIGANSYNRUITI-UHFFFAOYSA-N -1 1 386.183 3.837 20 10 GHCDMM CCOc1ccccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764765254 859601072 /nfs/dbraw/zinc/60/10/72/859601072.db2.gz RTXPCHCCMXFJSE-UHFFFAOYSA-N -1 1 379.254 3.553 20 10 GHCDMM [O-]c1c(Br)cccc1CNc1cc(-c2ccccc2)nc2ncnn21 ZINC000764933056 859689194 /nfs/dbraw/zinc/68/91/94/859689194.db2.gz BUAPQXWVNRQEEO-UHFFFAOYSA-N -1 1 396.248 3.872 20 10 GHCDMM Cc1nc2ccc(NC(=O)NCc3cccc(Br)c3[O-])cc2o1 ZINC000765228134 859856911 /nfs/dbraw/zinc/85/69/11/859856911.db2.gz SBOBNPJZMXEIOX-UHFFFAOYSA-N -1 1 376.210 3.926 20 10 GHCDMM CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1cccc(Br)c1[O-] ZINC000765538647 860111595 /nfs/dbraw/zinc/11/15/95/860111595.db2.gz APEGAIFQRKPJIV-LLVKDONJSA-N -1 1 383.208 3.931 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000765730564 860497908 /nfs/dbraw/zinc/49/79/08/860497908.db2.gz CZQFRJQBJOSHHA-VXGBXAGGSA-N -1 1 382.204 3.853 20 10 GHCDMM CC(C)c1cccc(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765733276 860512990 /nfs/dbraw/zinc/51/29/90/860512990.db2.gz WQTYCTOMQDGPPZ-UHFFFAOYSA-N -1 1 378.266 3.973 20 10 GHCDMM COc1ccc2c(CC(=O)NCc3cccc(Br)c3[O-])coc2c1 ZINC000765733171 860513092 /nfs/dbraw/zinc/51/30/92/860513092.db2.gz UUTLHZDZRHKZKL-UHFFFAOYSA-N -1 1 390.233 3.768 20 10 GHCDMM Cn1cc(CCC(=O)NCc2cccc(Br)c2[O-])c2ccccc21 ZINC000765752059 860569727 /nfs/dbraw/zinc/56/97/27/860569727.db2.gz FCAJQXBGFDQHOV-UHFFFAOYSA-N -1 1 387.277 3.895 20 10 GHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000792703623 881630506 /nfs/dbraw/zinc/63/05/06/881630506.db2.gz ZRXVCGZAAFXCDY-UHFFFAOYSA-N -1 1 388.308 3.986 20 10 GHCDMM O=C(N[C@@H]1CCc2cc(Br)ccc2C1)c1ccc(O)c([O-])c1Cl ZINC001193247051 870973742 /nfs/dbraw/zinc/97/37/42/870973742.db2.gz JDHCJUDELYRAEH-GFCCVEGCSA-N -1 1 396.668 3.801 20 10 GHCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]OCc2ccccc2)C1 ZINC000767461865 872522873 /nfs/dbraw/zinc/52/28/73/872522873.db2.gz KNFSTIOEMRZCCF-UHFFFAOYSA-N -1 1 377.488 3.656 20 10 GHCDMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(C(C)C)c(O)cc3C)cc2oc1=O ZINC000767469035 872532223 /nfs/dbraw/zinc/53/22/23/872532223.db2.gz GGNKQRYSTYVZBZ-UHFFFAOYSA-N -1 1 390.461 3.553 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CC(=O)c2ccccc2)c1[O-] ZINC000770665623 874810921 /nfs/dbraw/zinc/81/09/21/874810921.db2.gz RIGJXDFXOPCRIV-SFHVURJKSA-N -1 1 387.863 3.722 20 10 GHCDMM CC(C)(c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1)C1CCCCC1 ZINC000771587144 875328590 /nfs/dbraw/zinc/32/85/90/875328590.db2.gz JKUNCCYHFSYQLA-UHFFFAOYSA-N -1 1 379.482 3.672 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCC2(CC2(F)F)CC1 ZINC000852607754 878464470 /nfs/dbraw/zinc/46/44/70/878464470.db2.gz MZGMILWBVZCNIL-UHFFFAOYSA-N -1 1 389.240 3.922 20 10 GHCDMM CC[C@H](NC(c1ccnn1C)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858585876 883215649 /nfs/dbraw/zinc/21/56/49/883215649.db2.gz PBUNKVKDCIAZGA-AWEZNQCLSA-N -1 1 394.306 3.996 20 10 GHCDMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115317 886028253 /nfs/dbraw/zinc/02/82/53/886028253.db2.gz XJPPPZFZMWEBPM-UHFFFAOYSA-N -1 1 394.207 3.646 20 10 GHCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(Cl)cc1Cl ZINC000322759339 886121723 /nfs/dbraw/zinc/12/17/23/886121723.db2.gz BZQRFWVNHQQKDI-UHFFFAOYSA-N -1 1 396.635 3.851 20 10 GHCDMM Cc1cc(C)c(NC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])cc1C ZINC001184361338 913147157 /nfs/dbraw/zinc/14/71/57/913147157.db2.gz QQXHVZSLOCWUDT-UHFFFAOYSA-N -1 1 394.471 3.803 20 10 GHCDMM O=C([O-])[C@H](CCC[NH2+]Cc1c([O-])cccc1Br)Cc1ccccc1 ZINC000864505148 887810414 /nfs/dbraw/zinc/81/04/14/887810414.db2.gz BKONIYIJYKIVNO-OAHLLOKOSA-N -1 1 392.293 3.968 20 10 GHCDMM CN(Cc1ccccc1O)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000810156609 888246409 /nfs/dbraw/zinc/24/64/09/888246409.db2.gz NGTCKLPCXQQDCD-UHFFFAOYSA-N -1 1 387.233 3.681 20 10 GHCDMM CC[C@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866628280 888979755 /nfs/dbraw/zinc/97/97/55/888979755.db2.gz IIPVJBXNWMFSKR-LBPRGKRZSA-N -1 1 384.263 3.508 20 10 GHCDMM Cn1c2ccccc2c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)sc21 ZINC000916611220 889183785 /nfs/dbraw/zinc/18/37/85/889183785.db2.gz IFBLATQAKYLECA-UHFFFAOYSA-N -1 1 381.409 3.844 20 10 GHCDMM CC1(C)C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000811777228 889949209 /nfs/dbraw/zinc/94/92/09/889949209.db2.gz AZFVAIUZFBGUJC-KNQAVFIVSA-N -1 1 381.472 3.718 20 10 GHCDMM CC1(C)C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000811777228 889949225 /nfs/dbraw/zinc/94/92/25/889949225.db2.gz AZFVAIUZFBGUJC-KNQAVFIVSA-N -1 1 381.472 3.718 20 10 GHCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000811793814 890010342 /nfs/dbraw/zinc/01/03/42/890010342.db2.gz XMZQJWJEZZTJSY-REWPJTCUSA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000811793814 890010357 /nfs/dbraw/zinc/01/03/57/890010357.db2.gz XMZQJWJEZZTJSY-REWPJTCUSA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000811793814 890010367 /nfs/dbraw/zinc/01/03/67/890010367.db2.gz XMZQJWJEZZTJSY-REWPJTCUSA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(CCc1ccc2ccccc2n1)NCc1cccc(Br)c1[O-] ZINC000813539690 891745949 /nfs/dbraw/zinc/74/59/49/891745949.db2.gz WTEYHEMFWVWZQA-UHFFFAOYSA-N -1 1 385.261 3.952 20 10 GHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])c(C)c1S(=O)(=O)NC1CC1 ZINC000816607385 894966498 /nfs/dbraw/zinc/96/64/98/894966498.db2.gz QJAUTKHTEIESLJ-UHFFFAOYSA-N -1 1 398.887 3.854 20 10 GHCDMM CC[N@H+](CCc1nccs1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000134002137 899412370 /nfs/dbraw/zinc/41/23/70/899412370.db2.gz SPDUDDACPARSEP-UHFFFAOYSA-N -1 1 382.485 3.850 20 10 GHCDMM CC[N@@H+](CCc1nccs1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000134002137 899412379 /nfs/dbraw/zinc/41/23/79/899412379.db2.gz SPDUDDACPARSEP-UHFFFAOYSA-N -1 1 382.485 3.850 20 10 GHCDMM Cc1c(C)c([N-]S(=O)(=O)c2cc(F)c(F)cc2Br)ccc1O ZINC001186721653 914777145 /nfs/dbraw/zinc/77/71/45/914777145.db2.gz KHDNXFOKXLYTQO-UHFFFAOYSA-N -1 1 392.221 3.851 20 10 GHCDMM COCCN1C(=O)CCc2cc(NCc3cc(Cl)cc(F)c3[O-])ccc21 ZINC000779216911 905415337 /nfs/dbraw/zinc/41/53/37/905415337.db2.gz XZXCOVVODQMXIT-UHFFFAOYSA-N -1 1 378.831 3.722 20 10 GHCDMM COc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c(OC)c1 ZINC001173891711 906730646 /nfs/dbraw/zinc/73/06/46/906730646.db2.gz YZAYVFNAWIDLPQ-UHFFFAOYSA-N -1 1 375.380 3.928 20 10 GHCDMM CC(=O)NCc1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001174368672 907007868 /nfs/dbraw/zinc/00/78/68/907007868.db2.gz CVJSCTXXMNWSIZ-UHFFFAOYSA-N -1 1 386.407 3.547 20 10 GHCDMM O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1c(F)ccc(F)c1F ZINC000773409594 907221673 /nfs/dbraw/zinc/22/16/73/907221673.db2.gz ZSQUXAUMMQLJNO-ZDUSSCGKSA-N -1 1 398.812 3.857 20 10 GHCDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000773495803 907554201 /nfs/dbraw/zinc/55/42/01/907554201.db2.gz ICKIWDFSJFTBLL-UHFFFAOYSA-N -1 1 394.475 3.819 20 10 GHCDMM C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000801787242 921498587 /nfs/dbraw/zinc/49/85/87/921498587.db2.gz GNDAZORYGOCFIJ-CLLJXQQHSA-N -1 1 385.302 3.548 20 10 GHCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188242057 915819255 /nfs/dbraw/zinc/81/92/55/915819255.db2.gz FGOSGQPZBBNWGY-UHFFFAOYSA-N -1 1 388.701 3.538 20 10 GHCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1cc(Br)ccc1Cl ZINC001189750495 916872921 /nfs/dbraw/zinc/87/29/21/916872921.db2.gz USJQKOBTQRHSDH-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM CCc1cnc(N2CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CC2)s1 ZINC000750052083 927406225 /nfs/dbraw/zinc/40/62/25/927406225.db2.gz SMFDYGCVZIVWTR-UHFFFAOYSA-N -1 1 379.913 3.589 20 10 GHCDMM O=C(COC(=O)c1ccccc1OCc1cccs1)c1ccc([O-])c(O)c1 ZINC000783542453 931577186 /nfs/dbraw/zinc/57/71/86/931577186.db2.gz KXNBUMIALNLFLE-UHFFFAOYSA-N -1 1 384.409 3.778 20 10 GHCDMM O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc([O-])c(O)c1 ZINC000784048419 931767032 /nfs/dbraw/zinc/76/70/32/931767032.db2.gz QKTFLVWEZQBXNA-ORMMXULVSA-N -1 1 398.377 3.973 20 10 GHCDMM COc1cc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)ccc1O ZINC000797819302 932416219 /nfs/dbraw/zinc/41/62/19/932416219.db2.gz DYDZXFQBNWBBIH-UHFFFAOYSA-N -1 1 386.267 3.581 20 10 GHCDMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000798300440 932599083 /nfs/dbraw/zinc/59/90/83/932599083.db2.gz CDRJNPIXFMHKSQ-OAHLLOKOSA-N -1 1 395.377 3.938 20 10 GHCDMM O=C(CCC[C@H](O)c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000834476122 1021213854 /nfs/dbraw/zinc/21/38/54/1021213854.db2.gz NZTSNXZBEWWBFD-INIZCTEOSA-N -1 1 378.266 3.675 20 10 GHCDMM [O-]c1cc(F)cc(F)c1CN1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140585359 1022010340 /nfs/dbraw/zinc/01/03/40/1022010340.db2.gz GPWCUWSCJAPEJW-NSHDSACASA-N -1 1 389.324 3.523 20 10 GHCDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000755985141 1023466013 /nfs/dbraw/zinc/46/60/13/1023466013.db2.gz MNJYIGAABVGABB-UHFFFAOYSA-N -1 1 377.462 3.802 20 10 GHCDMM C[C@@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756851789 1023835536 /nfs/dbraw/zinc/83/55/36/1023835536.db2.gz VHQZSMDUGCOAKR-NEPJUHHUSA-N -1 1 387.390 3.635 20 10 GHCDMM C[C@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC001156792061 1033243950 /nfs/dbraw/zinc/24/39/50/1033243950.db2.gz LKTIYWRADCYDAF-LLVKDONJSA-N -1 1 394.240 3.819 20 10 GHCDMM C[C@@H]1CC[C@@H](CO)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC001203565272 1027436226 /nfs/dbraw/zinc/43/62/26/1027436226.db2.gz YRMIIYUICCNRHO-NXEZZACHSA-N -1 1 393.119 3.510 20 10 GHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001203575246 1027443493 /nfs/dbraw/zinc/44/34/93/1027443493.db2.gz HQEKLRYXAHRUQM-LNLFQRSKSA-N -1 1 395.286 3.905 20 10 GHCDMM Cc1cccc(N2CCC[C@@]3(CN(Cc4cc(F)c(F)cc4[O-])CCO3)C2)c1 ZINC001142517343 1029021526 /nfs/dbraw/zinc/02/15/26/1029021526.db2.gz JXIMBADRTPLIJK-JOCHJYFZSA-N -1 1 388.458 3.850 20 10 GHCDMM [O-]c1ccc(-c2nc(-c3ccc(Cl)c(F)c3)no2)cc1CN1CCOCC1 ZINC001217055054 1030127099 /nfs/dbraw/zinc/12/70/99/1030127099.db2.gz OYMXBRYUJJFENP-UHFFFAOYSA-N -1 1 389.814 3.734 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN(CCO)Cc1cc(Br)ccc1F ZINC001461848148 1069789209 /nfs/dbraw/zinc/78/92/09/1069789209.db2.gz FFEQRAZKVBRVLA-UHFFFAOYSA-N -1 1 390.199 3.567 20 10 GHCDMM O=C(CNc1cc(-c2nc(-c3cccs3)no2)ccn1)c1ccc([O-])c(O)c1 ZINC001159280410 1034520514 /nfs/dbraw/zinc/52/05/14/1034520514.db2.gz PMTAKFBXTPPAFB-UHFFFAOYSA-N -1 1 394.412 3.566 20 10 GHCDMM C[C@@H]1Cc2ccc(Br)cc2CN1Cc1ccc(C(=O)[O-])cc1O ZINC001231453669 1034597019 /nfs/dbraw/zinc/59/70/19/1034597019.db2.gz OBJJUSASPKOCBE-LLVKDONJSA-N -1 1 376.250 3.800 20 10 GHCDMM C[C@H]1Cc2cccc(Br)c2C[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231568283 1034716791 /nfs/dbraw/zinc/71/67/91/1034716791.db2.gz KCIAODRLWAQEIC-NSHDSACASA-N -1 1 376.250 3.800 20 10 GHCDMM C[C@H]1Cc2cccc(Br)c2CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231568283 1034716807 /nfs/dbraw/zinc/71/68/07/1034716807.db2.gz KCIAODRLWAQEIC-NSHDSACASA-N -1 1 376.250 3.800 20 10 GHCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc(F)c(Br)cc1F ZINC001161655677 1035280405 /nfs/dbraw/zinc/28/04/05/1035280405.db2.gz CCKAFVIQIXGUIR-LURJTMIESA-N -1 1 390.155 3.769 20 10 GHCDMM [O-]c1ccc(F)c(F)c1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC001233334429 1039134073 /nfs/dbraw/zinc/13/40/73/1039134073.db2.gz GJTGRZWUZQKSQC-UHFFFAOYSA-N -1 1 397.263 3.751 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])C2(CC2)C1 ZINC001233416641 1039272856 /nfs/dbraw/zinc/27/28/56/1039272856.db2.gz POLQCMSFJLPVDO-UHFFFAOYSA-N -1 1 386.414 3.996 20 10 GHCDMM CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419889 1039282023 /nfs/dbraw/zinc/28/20/23/1039282023.db2.gz QNKLLSABQYETLF-AWEZNQCLSA-N -1 1 389.414 3.734 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233496794 1039391040 /nfs/dbraw/zinc/39/10/40/1039391040.db2.gz IXPFZEDCNPHAJM-LBPRGKRZSA-N -1 1 379.453 3.715 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001236668426 1041814267 /nfs/dbraw/zinc/81/42/67/1041814267.db2.gz DILNYCQVIUCJGE-KRWDZBQOSA-N -1 1 376.294 3.907 20 10 GHCDMM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277996143 1041821148 /nfs/dbraw/zinc/82/11/48/1041821148.db2.gz TXWGPOXQTZAGBE-MRXNPFEDSA-N -1 1 379.234 3.531 20 10 GHCDMM O=C(c1cccc(F)c1)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236795375 1041900003 /nfs/dbraw/zinc/90/00/03/1041900003.db2.gz FCTCJAGVPGGHEA-UHFFFAOYSA-N -1 1 383.250 3.796 20 10 GHCDMM COc1ccc(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c([O-])c1Cl ZINC001236810868 1041911415 /nfs/dbraw/zinc/91/14/15/1041911415.db2.gz ZORMMWFOTDEGNH-MRXNPFEDSA-N -1 1 392.858 3.588 20 10 GHCDMM Cn1cc2c(n1)CN(Cc1c([O-])ccc(Cl)c1Cl)C[C@@H]2COCC1CC1 ZINC001237081485 1042026998 /nfs/dbraw/zinc/02/69/98/1042026998.db2.gz YDZZNOMDKRIRPK-CYBMUJFWSA-N -1 1 396.318 3.959 20 10 GHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001237121583 1042049680 /nfs/dbraw/zinc/04/96/80/1042049680.db2.gz MQOROAZLUIWHBS-ILZDJORESA-N -1 1 392.858 3.528 20 10 GHCDMM CC1(C)C[N@@H+](Cc2cccc(I)c2O)CCC1(F)F ZINC001237775002 1042363104 /nfs/dbraw/zinc/36/31/04/1042363104.db2.gz BGJVNXFNILOTML-UHFFFAOYSA-N -1 1 381.204 3.864 20 10 GHCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H](F)C1 ZINC001237934166 1042426597 /nfs/dbraw/zinc/42/65/97/1042426597.db2.gz IJDSSJLYWBPJHO-GFCCVEGCSA-N -1 1 376.831 3.576 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CC(F)(F)C1 ZINC001237939960 1042430187 /nfs/dbraw/zinc/43/01/87/1042430187.db2.gz IMNXJAMVJOGQOC-NSHDSACASA-N -1 1 394.821 3.919 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1O ZINC001259049555 1044935981 /nfs/dbraw/zinc/93/59/81/1044935981.db2.gz NYVJCYCQIAEPIA-UHFFFAOYSA-N -1 1 383.425 3.647 20 10 GHCDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001259484608 1045195194 /nfs/dbraw/zinc/19/51/94/1045195194.db2.gz MUSSUZQZHOTHOM-UHFFFAOYSA-N -1 1 395.411 3.710 20 10 GHCDMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1F)c1ccc(Cl)c2nonc21 ZINC001261071127 1045886344 /nfs/dbraw/zinc/88/63/44/1045886344.db2.gz NKOUFTYMFXJZJB-UHFFFAOYSA-N -1 1 395.721 3.835 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC001305084806 1047887262 /nfs/dbraw/zinc/88/72/62/1047887262.db2.gz NNYUWRLVJWNQGL-UHFFFAOYSA-N -1 1 378.819 3.710 20 10 GHCDMM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1c(F)ccc(O)c1[O-] ZINC001306389382 1048634425 /nfs/dbraw/zinc/63/44/25/1048634425.db2.gz XAKMHZCXHIAKRC-UHFFFAOYSA-N -1 1 381.403 3.788 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000752910812 1049345069 /nfs/dbraw/zinc/34/50/69/1049345069.db2.gz FLNLCSSSJJQHPZ-GOSISDBHSA-N -1 1 392.507 3.750 20 10 GHCDMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001311725895 1052357580 /nfs/dbraw/zinc/35/75/80/1052357580.db2.gz LALJJYDTZIXPAC-GFCCVEGCSA-N -1 1 376.840 3.595 20 10 GHCDMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccc(N2CCOCC2)cc1 ZINC001442416057 1058960840 /nfs/dbraw/zinc/96/08/40/1058960840.db2.gz YFRDTNLBHYVMIT-OAHLLOKOSA-N -1 1 392.455 3.579 20 10 GHCDMM COc1ccc(N(C)CCN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001452831267 1061027310 /nfs/dbraw/zinc/02/73/10/1061027310.db2.gz FWRRAVQZRDHUEC-UHFFFAOYSA-N -1 1 382.382 3.628 20 10 GHCDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[n-]1 ZINC001439227498 1064205783 /nfs/dbraw/zinc/20/57/83/1064205783.db2.gz VRCLSJCPKPBYRH-UHFFFAOYSA-N -1 1 379.416 3.664 20 10 GHCDMM O=C(NCCc1ccc(Br)s1)NCc1cccc(Cl)c1[O-] ZINC001477585799 1078476914 /nfs/dbraw/zinc/47/69/14/1078476914.db2.gz MWCZHPRCJHNZSW-UHFFFAOYSA-N -1 1 389.702 3.912 20 10 GHCDMM C[C@](NC(=O)NCc1cccc(Br)c1[O-])(C1CC1)C(F)(F)F ZINC001467425802 1067290762 /nfs/dbraw/zinc/29/07/62/1067290762.db2.gz GDJHORWLNNELHC-ZDUSSCGKSA-N -1 1 381.192 3.685 20 10 GHCDMM O=[N+]([O-])c1ccc2ncnc(NCc3cccc(Br)c3[O-])c2c1 ZINC000764933987 1068103738 /nfs/dbraw/zinc/10/37/38/1068103738.db2.gz HDVJERGTCFZQGK-UHFFFAOYSA-N -1 1 375.182 3.618 20 10 GHCDMM Cc1ccc(N2C(=O)C(=Cc3[nH]nc4cc(C(=O)[O-])ccc34)SC2=S)cc1 ZINC000765501408 1068114444 /nfs/dbraw/zinc/11/44/44/1068114444.db2.gz KNFBBJZQCZCTAO-CXUHLZMHSA-N -1 1 395.465 3.975 20 10 GHCDMM Cc1cc(C(=O)N(Cc2nn[n-]n2)CC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC001471645856 1073168964 /nfs/dbraw/zinc/16/89/64/1073168964.db2.gz HKMQSJCQJPWHRW-UHFFFAOYSA-N -1 1 386.887 3.559 20 10 GHCDMM CN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@H]1c1cccc(Cl)c1 ZINC001472316887 1073417705 /nfs/dbraw/zinc/41/77/05/1073417705.db2.gz LCAJXCPFUYBJKA-WMLDXEAASA-N -1 1 393.270 3.535 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1nc2ccc(Br)cn2c1F ZINC001472316988 1073417979 /nfs/dbraw/zinc/41/79/79/1073417979.db2.gz QCGWFEOJIRMTJK-UHFFFAOYSA-N -1 1 398.619 3.525 20 10 GHCDMM COc1c([O-])c(CN[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001474530449 1074451905 /nfs/dbraw/zinc/45/19/05/1074451905.db2.gz PAJRTQGOSJTZPL-CQSZACIVSA-N -1 1 396.484 3.935 20 10 GHCDMM O=S(=O)([N-]Cc1cc(Cl)ccc1O)c1c(Cl)cc(F)cc1Cl ZINC001475467788 1074886258 /nfs/dbraw/zinc/88/62/58/1074886258.db2.gz VZLJCAFJTYKKGV-UHFFFAOYSA-N -1 1 384.643 3.970 20 10 GHCDMM CCN(CC)c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1F ZINC000736531044 598556601 /nfs/dbraw/zinc/55/66/01/598556601.db2.gz BZEJFQDIAXAZMU-UHFFFAOYSA-N -1 1 381.868 3.574 20 10 GHCDMM CCN(CC)c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1F ZINC000736531044 598556603 /nfs/dbraw/zinc/55/66/03/598556603.db2.gz BZEJFQDIAXAZMU-UHFFFAOYSA-N -1 1 381.868 3.574 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890762471 836733385 /nfs/dbraw/zinc/73/33/85/836733385.db2.gz DKSAWSAUUVYYTE-XBXGTLAGSA-N -1 1 382.888 3.745 20 10 GHCDMM CC1CCN(c2ccc(C[N-]S(=O)(=O)c3c(F)cc(F)cc3F)cc2)CC1 ZINC000731038604 861424786 /nfs/dbraw/zinc/42/47/86/861424786.db2.gz HLXBXHRKHGNSRH-UHFFFAOYSA-N -1 1 398.450 3.819 20 10 GHCDMM Cc1ccc(C)c(OCCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765764484 856925303 /nfs/dbraw/zinc/92/53/03/856925303.db2.gz KYQMMKJMKTZIOF-UHFFFAOYSA-N -1 1 378.266 3.857 20 10 GHCDMM O=C(CNc1ccc(OC(F)(F)F)c2ncccc12)c1ccc([O-])c(O)c1 ZINC001170322722 881358772 /nfs/dbraw/zinc/35/87/72/881358772.db2.gz NTXXCMQLEBSXOR-UHFFFAOYSA-N -1 1 378.306 3.839 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c(C)c(C)c1O ZINC000187060541 858941072 /nfs/dbraw/zinc/94/10/72/858941072.db2.gz QXICZDMUROBWDX-UHFFFAOYSA-N -1 1 396.468 3.861 20 10 GHCDMM O=C(NCCCc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000764780628 859609127 /nfs/dbraw/zinc/60/91/27/859609127.db2.gz QWLZRMGBJFAVBK-UHFFFAOYSA-N -1 1 381.245 3.726 20 10 GHCDMM CCO[C@@H](CCNC(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000764789452 859619845 /nfs/dbraw/zinc/61/98/45/859619845.db2.gz FIIMAKAMEPAAGZ-INIZCTEOSA-N -1 1 399.329 3.939 20 10 GHCDMM CCCCc1nnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765217150 859844105 /nfs/dbraw/zinc/84/41/05/859844105.db2.gz GZDDNFTXEAUDEN-UHFFFAOYSA-N -1 1 385.287 3.671 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(-c2ncon2)cc1 ZINC000765275204 859880939 /nfs/dbraw/zinc/88/09/39/859880939.db2.gz DYSOHODVOGXLSG-UHFFFAOYSA-N -1 1 389.209 3.526 20 10 GHCDMM CC(C)OC1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765533598 860105683 /nfs/dbraw/zinc/10/56/83/860105683.db2.gz KAHHRVJTSPKGJM-UHFFFAOYSA-N -1 1 385.302 3.690 20 10 GHCDMM COc1cccc2c1CC[C@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000765538588 860111780 /nfs/dbraw/zinc/11/17/80/860111780.db2.gz ZNNRECWCBBCVEF-OAHLLOKOSA-N -1 1 391.265 3.650 20 10 GHCDMM CC(C)Cn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C1CC1 ZINC000765735286 860520100 /nfs/dbraw/zinc/52/01/00/860520100.db2.gz GBRFQKYILXWFRU-UHFFFAOYSA-N -1 1 392.297 3.815 20 10 GHCDMM COc1ccc(SCCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765737771 860537965 /nfs/dbraw/zinc/53/79/65/860537965.db2.gz ZLYPICXSETYBKC-UHFFFAOYSA-N -1 1 396.306 3.962 20 10 GHCDMM COc1ccc(C(C)(C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765750264 860563256 /nfs/dbraw/zinc/56/32/56/860563256.db2.gz FCPYBJQKMYIMOL-UHFFFAOYSA-N -1 1 378.266 3.757 20 10 GHCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1Cl ZINC000766201798 863857086 /nfs/dbraw/zinc/85/70/86/863857086.db2.gz VIJNBHKFLCIQAW-UHFFFAOYSA-N -1 1 390.686 3.595 20 10 GHCDMM CC1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000766201279 863859339 /nfs/dbraw/zinc/85/93/39/863859339.db2.gz QIRDXPYGIBDWRS-UHFFFAOYSA-N -1 1 376.316 3.545 20 10 GHCDMM O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000840998361 868235136 /nfs/dbraw/zinc/23/51/36/868235136.db2.gz BEKUMQDTHRCAQT-INIZCTEOSA-N -1 1 378.266 3.720 20 10 GHCDMM CCc1ccc(N(CC(C)C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000794133931 882587100 /nfs/dbraw/zinc/58/71/00/882587100.db2.gz HJQOYMHAJSPLFB-UHFFFAOYSA-N -1 1 390.505 3.629 20 10 GHCDMM C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000857875580 882605113 /nfs/dbraw/zinc/60/51/13/882605113.db2.gz ULBJHERAQIVHBJ-BTDLBPIBSA-N -1 1 393.256 3.658 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000768527790 873361080 /nfs/dbraw/zinc/36/10/80/873361080.db2.gz FFFFJJJURQRHBU-ZDUSSCGKSA-N -1 1 396.354 3.798 20 10 GHCDMM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c(Br)c1 ZINC001198076646 874200732 /nfs/dbraw/zinc/20/07/32/874200732.db2.gz MBQGHMKDYISBFY-UHFFFAOYSA-N -1 1 386.267 3.581 20 10 GHCDMM O=C1OCCN1c1cccc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC001199564302 875047493 /nfs/dbraw/zinc/04/74/93/875047493.db2.gz RGHKZPAICXUIEX-UHFFFAOYSA-N -1 1 381.201 3.863 20 10 GHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](Oc3ncccc3F)C2)c1[O-] ZINC000787287887 877295871 /nfs/dbraw/zinc/29/58/71/877295871.db2.gz BKMWZVZERXLWBM-ZDUSSCGKSA-N -1 1 381.791 3.531 20 10 GHCDMM Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237623979 877704560 /nfs/dbraw/zinc/70/45/60/877704560.db2.gz IPSGSDJQVSDEDP-UHFFFAOYSA-N -1 1 395.484 3.559 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OCC(F)F)c2ccccc21 ZINC000776745150 879852415 /nfs/dbraw/zinc/85/24/15/879852415.db2.gz SMRNPJOHHXGRCE-UHFFFAOYSA-N -1 1 379.384 3.990 20 10 GHCDMM COc1c(NCc2cccc(Br)c2[O-])cc(Cl)cc1C(N)=O ZINC000790653380 879917323 /nfs/dbraw/zinc/91/73/23/879917323.db2.gz SHWOBRHOLXKHJC-UHFFFAOYSA-N -1 1 385.645 3.528 20 10 GHCDMM Cc1cc(C)cc(C[C@@H]([NH2+]Cc2c([O-])cccc2Br)C(=O)[O-])c1 ZINC000864507155 887812073 /nfs/dbraw/zinc/81/20/73/887812073.db2.gz HXFBINJSOPVXCH-MRXNPFEDSA-N -1 1 378.266 3.557 20 10 GHCDMM O=C(COC(=O)c1ccc(C2SCCS2)cc1)c1ccc([O-])c(O)c1 ZINC000916606759 889177329 /nfs/dbraw/zinc/17/73/29/889177329.db2.gz GQBCKJVIUQEDHY-UHFFFAOYSA-N -1 1 376.455 3.616 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000121876458 889190792 /nfs/dbraw/zinc/19/07/92/889190792.db2.gz WTJJHXHVVYOYOZ-WBVHZDCISA-N -1 1 395.908 3.634 20 10 GHCDMM COC(=O)c1ccc(Cl)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000811460102 889619585 /nfs/dbraw/zinc/61/95/85/889619585.db2.gz XNFFOCWXHMYXBZ-UHFFFAOYSA-N -1 1 398.640 3.525 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cnc2onc(-c3ccccc3)c2c1 ZINC000811695722 889902830 /nfs/dbraw/zinc/90/28/30/889902830.db2.gz KYXUNGQYXORSCX-UHFFFAOYSA-N -1 1 385.376 3.535 20 10 GHCDMM CC1(C)C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811777230 889949685 /nfs/dbraw/zinc/94/96/85/889949685.db2.gz AZFVAIUZFBGUJC-SIKLNZKXSA-N -1 1 381.472 3.718 20 10 GHCDMM CC1(C)C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811777230 889949701 /nfs/dbraw/zinc/94/97/01/889949701.db2.gz AZFVAIUZFBGUJC-SIKLNZKXSA-N -1 1 381.472 3.718 20 10 GHCDMM Cc1ccc(Br)c(C)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000814499904 892824189 /nfs/dbraw/zinc/82/41/89/892824189.db2.gz CVWXMCFBKFJIQR-UHFFFAOYSA-N -1 1 379.206 3.517 20 10 GHCDMM COc1c([O-])c(CN2CCCC[C@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774849824 913787456 /nfs/dbraw/zinc/78/74/56/913787456.db2.gz LIVKWAUBBXPXKM-SFHVURJKSA-N -1 1 396.447 3.923 20 10 GHCDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000879814938 895313954 /nfs/dbraw/zinc/31/39/54/895313954.db2.gz XTJPCCUSENVTKT-LBPRGKRZSA-N -1 1 395.381 3.762 20 10 GHCDMM CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883057200 897239553 /nfs/dbraw/zinc/23/95/53/897239553.db2.gz HQGKPVNPJFSEKD-UHFFFAOYSA-N -1 1 384.448 3.500 20 10 GHCDMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1cccc(Br)c1 ZINC000820402544 897307487 /nfs/dbraw/zinc/30/74/87/897307487.db2.gz LVTSMPVRFBCJTM-UHFFFAOYSA-N -1 1 389.253 3.846 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN(CC(=O)OC(C)(C)C)C2CCOCC2)c1[O-] ZINC000844341901 900715642 /nfs/dbraw/zinc/71/56/42/900715642.db2.gz UBQGEJCYFMFBSY-UHFFFAOYSA-N -1 1 397.899 3.571 20 10 GHCDMM COc1cc(OC)cc([C@H](N[C@H](C)c2c([O-])cccc2F)c2nccn2C)c1 ZINC000886498809 901081247 /nfs/dbraw/zinc/08/12/47/901081247.db2.gz QRCBJFFJHOMVOU-XCLFUZPHSA-N -1 1 385.439 3.722 20 10 GHCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2[n-]c(C)cc2=O)cc1 ZINC001148333281 904043807 /nfs/dbraw/zinc/04/38/07/904043807.db2.gz UARDCDMLUOYUQK-UHFFFAOYSA-N -1 1 378.476 3.528 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773256365 904619633 /nfs/dbraw/zinc/61/96/33/904619633.db2.gz BWWKFVHFOAABRW-ROUUACIJSA-N -1 1 395.499 3.967 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773256365 904619640 /nfs/dbraw/zinc/61/96/40/904619640.db2.gz BWWKFVHFOAABRW-ROUUACIJSA-N -1 1 395.499 3.967 20 10 GHCDMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000773316115 904703798 /nfs/dbraw/zinc/70/37/98/904703798.db2.gz SOJUTNTVSSPQNK-KRWDZBQOSA-N -1 1 394.475 3.819 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(I)cc1 ZINC001180410849 910151793 /nfs/dbraw/zinc/15/17/93/910151793.db2.gz SIEZHGUNSYVOFX-UHFFFAOYSA-N -1 1 387.604 3.580 20 10 GHCDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(C)n1-c1ccccc1C ZINC000774272386 911607543 /nfs/dbraw/zinc/60/75/43/911607543.db2.gz KHCWAHFNPRQVOL-UHFFFAOYSA-N -1 1 380.448 3.511 20 10 GHCDMM CC(C)Oc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(C(F)(F)F)c1 ZINC001182560084 911868990 /nfs/dbraw/zinc/86/89/90/911868990.db2.gz QGDLFERIHQPMKP-UHFFFAOYSA-N -1 1 387.329 3.973 20 10 GHCDMM CN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093282949 912163650 /nfs/dbraw/zinc/16/36/50/912163650.db2.gz TZOAOIFQESNYIS-UHFFFAOYSA-N -1 1 399.875 3.785 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1O ZINC001188821896 916229233 /nfs/dbraw/zinc/22/92/33/916229233.db2.gz OBGZPZRJHSPXIT-UHFFFAOYSA-N -1 1 397.408 3.879 20 10 GHCDMM COc1c([O-])c(CN2CCn3c(cc4ccc(Cl)cc43)C2)ccc1[N+](=O)[O-] ZINC000775207787 916266600 /nfs/dbraw/zinc/26/66/00/916266600.db2.gz ZVTQCFGTVCNCHS-UHFFFAOYSA-N -1 1 387.823 3.933 20 10 GHCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(Br)c(Cl)c1 ZINC001189164105 916409432 /nfs/dbraw/zinc/40/94/32/916409432.db2.gz IVHWLGWUFGPLNA-UHFFFAOYSA-N -1 1 398.612 3.887 20 10 GHCDMM C[C@@H](NCc1nc(CN(C)C)cs1)c1cc(Br)cc(F)c1[O-] ZINC000903222971 922867965 /nfs/dbraw/zinc/86/79/65/922867965.db2.gz QMQWFSOVUNDEEQ-SECBINFHSA-N -1 1 388.306 3.663 20 10 GHCDMM CC(=O)N1CCCN(c2ccc(F)cc2NCc2cccc(Cl)c2[O-])CC1 ZINC000369312706 923271320 /nfs/dbraw/zinc/27/13/20/923271320.db2.gz RLCVKVNGSYLDSG-UHFFFAOYSA-N -1 1 391.874 3.855 20 10 GHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000827131159 924885591 /nfs/dbraw/zinc/88/55/91/924885591.db2.gz JHBUMGIMFXCVGT-QMMMGPOBSA-N -1 1 390.358 3.732 20 10 GHCDMM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(C)cc(Br)c1[O-] ZINC000781892367 931014085 /nfs/dbraw/zinc/01/40/85/931014085.db2.gz AIYVLSJHQBAECI-KRWDZBQOSA-N -1 1 390.277 3.563 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000781893967 931014561 /nfs/dbraw/zinc/01/45/61/931014561.db2.gz ATYLQNXZSQBWHO-UHFFFAOYSA-N -1 1 388.265 3.744 20 10 GHCDMM Cc1nc(CN2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)cs1 ZINC000781893995 931014766 /nfs/dbraw/zinc/01/47/66/931014766.db2.gz BLOCKJSVAPZCFO-UHFFFAOYSA-N -1 1 396.354 3.546 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2nccn2CC(F)(F)F)c1 ZINC000781912759 931026503 /nfs/dbraw/zinc/02/65/03/931026503.db2.gz QNVOFMNQKBREJC-UHFFFAOYSA-N -1 1 392.219 3.854 20 10 GHCDMM COc1ccc2cc(C=CC(=O)OCC(=O)c3ccc([O-])c(O)c3)ccc2c1 ZINC000782539403 931262075 /nfs/dbraw/zinc/26/20/75/931262075.db2.gz BNEZZJSHZDESKU-YCRREMRBSA-N -1 1 378.380 3.699 20 10 GHCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1cc2cc(Br)ccc2o1 ZINC000782791139 931336529 /nfs/dbraw/zinc/33/65/29/931336529.db2.gz FXVRQWJOIGEIER-UHFFFAOYSA-N -1 1 391.173 3.646 20 10 GHCDMM O=C(CCCc1cccc(C(F)(F)F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784761519 931999446 /nfs/dbraw/zinc/99/94/46/931999446.db2.gz HMQHCEXGQVXRQO-UHFFFAOYSA-N -1 1 382.334 3.865 20 10 GHCDMM Cc1ccc(N2CCOCC2)cc1NCc1cccc(Br)c1[O-] ZINC000797470136 932294811 /nfs/dbraw/zinc/29/48/11/932294811.db2.gz PHWIOMNBWMRPIL-UHFFFAOYSA-N -1 1 377.282 3.912 20 10 GHCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N(Cc1ccccn1)C1CCCCC1 ZINC001155226290 1032463125 /nfs/dbraw/zinc/46/31/25/1032463125.db2.gz TVNXXSULAADYOX-UHFFFAOYSA-N -1 1 394.427 3.574 20 10 GHCDMM CC(C)CCOC(=O)[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227577420 1032469274 /nfs/dbraw/zinc/46/92/74/1032469274.db2.gz KDUCBWJVVFQJHX-CYBMUJFWSA-N -1 1 382.412 3.524 20 10 GHCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC3CC(F)(F)C3)c21 ZINC001228193940 1032834404 /nfs/dbraw/zinc/83/44/04/1032834404.db2.gz NUPHLSSRNUTDCY-OAHLLOKOSA-N -1 1 378.327 3.686 20 10 GHCDMM COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000834476367 1021213514 /nfs/dbraw/zinc/21/35/14/1021213514.db2.gz WKLZJYWTKNPTEN-HOCLYGCPSA-N -1 1 390.277 3.973 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000754783594 1022893433 /nfs/dbraw/zinc/89/34/33/1022893433.db2.gz MSPCPVAXUVQJCG-GOSISDBHSA-N -1 1 381.472 3.577 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000754783594 1022893450 /nfs/dbraw/zinc/89/34/50/1022893450.db2.gz MSPCPVAXUVQJCG-GOSISDBHSA-N -1 1 381.472 3.577 20 10 GHCDMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])c2ccccc2O1 ZINC000836555102 1023110038 /nfs/dbraw/zinc/11/00/38/1023110038.db2.gz VENWSUQUAXXSRR-IAQYHMDHSA-N -1 1 391.265 3.866 20 10 GHCDMM C[C@@H](NCc1nnc2n1CCCCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000756356616 1023603854 /nfs/dbraw/zinc/60/38/54/1023603854.db2.gz FWLKHOGADMRMIJ-SNVBAGLBSA-N -1 1 399.720 3.977 20 10 GHCDMM C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756381923 1023620375 /nfs/dbraw/zinc/62/03/75/1023620375.db2.gz OTPLEGWPAHBEPW-XPTSAGLGSA-N -1 1 383.673 3.685 20 10 GHCDMM CCC(=O)N(C)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141374239 1024766921 /nfs/dbraw/zinc/76/69/21/1024766921.db2.gz CPAMBFXIVZZEMY-UHFFFAOYSA-N -1 1 389.721 3.641 20 10 GHCDMM COCCC[C@H](CNC(=O)c1c([O-])c(O)ccc1F)c1ccc(Cl)cc1 ZINC000831786984 1024863685 /nfs/dbraw/zinc/86/36/85/1024863685.db2.gz KAJVQIFFCHLAGO-CYBMUJFWSA-N -1 1 381.831 3.831 20 10 GHCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000832795511 1025959517 /nfs/dbraw/zinc/95/95/17/1025959517.db2.gz GXOHGGAUSLWNED-BONVTDFDSA-N -1 1 399.340 3.858 20 10 GHCDMM O=C(NCc1cccc(Br)c1O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001139975008 1026772368 /nfs/dbraw/zinc/77/23/68/1026772368.db2.gz RFCUBTPTQHLOIM-UHFFFAOYSA-N -1 1 390.155 3.809 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1cccc(OCC(F)F)n1 ZINC001461406562 1069537522 /nfs/dbraw/zinc/53/75/22/1069537522.db2.gz BNLDVOOJPWXPEF-UHFFFAOYSA-N -1 1 377.160 3.945 20 10 GHCDMM CC(=O)c1ccc(Br)c(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215146008 1029058884 /nfs/dbraw/zinc/05/88/84/1029058884.db2.gz WRQWQBXNKMUPCX-UHFFFAOYSA-N -1 1 375.178 3.780 20 10 GHCDMM Cc1cc(Br)cnc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216953792 1030026559 /nfs/dbraw/zinc/02/65/59/1030026559.db2.gz KBZBJJMDBGYUPF-UHFFFAOYSA-N -1 1 382.601 3.934 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN[C@@H](CO)c1ccc(F)cc1F ZINC001461656912 1069662636 /nfs/dbraw/zinc/66/26/36/1069662636.db2.gz CMQRQUWDEDOHIK-AWEZNQCLSA-N -1 1 392.627 3.910 20 10 GHCDMM Cc1cnc(F)c([C@H](C)Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)c1 ZINC001229199187 1033336842 /nfs/dbraw/zinc/33/68/42/1033336842.db2.gz UFIPGUPNEKPHNX-NSHDSACASA-N -1 1 393.370 3.856 20 10 GHCDMM CC(C)C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786673 1033713657 /nfs/dbraw/zinc/71/36/57/1033713657.db2.gz PCZKLBWHDLOQNO-QGZVFWFLSA-N -1 1 390.432 3.895 20 10 GHCDMM COC(=O)[C@H]1CC[C@H](Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229828641 1033739555 /nfs/dbraw/zinc/73/95/55/1033739555.db2.gz BIKPQIXBWOHCRP-HDJSIYSDSA-N -1 1 394.423 3.587 20 10 GHCDMM Cc1c([O-])cc2c(c1O[C@H]1CCCC3(C1)OCCO3)C(=O)c1ccccc1C2=O ZINC001229829644 1033740343 /nfs/dbraw/zinc/74/03/43/1033740343.db2.gz WWNNDTAEACDELG-AWEZNQCLSA-N -1 1 394.423 3.541 20 10 GHCDMM CC(C)c1ccc(N2CC[C@@H](C(=O)NCc3cccc(Cl)c3[O-])C2=O)cc1 ZINC001159034412 1034393639 /nfs/dbraw/zinc/39/36/39/1034393639.db2.gz VOWWMYZJVNYERM-KRWDZBQOSA-N -1 1 386.879 3.838 20 10 GHCDMM O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277509938 1034542766 /nfs/dbraw/zinc/54/27/66/1034542766.db2.gz KGNVMMRMPWDERN-HXUWFJFHSA-N -1 1 380.891 3.942 20 10 GHCDMM O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231911214 1034985296 /nfs/dbraw/zinc/98/52/96/1034985296.db2.gz GEHWQKZGBOVCPY-NRFANRHFSA-N -1 1 399.878 3.795 20 10 GHCDMM CS(=O)(=O)c1cccc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)c1 ZINC001231914163 1034988003 /nfs/dbraw/zinc/98/80/03/1034988003.db2.gz ZTDHNBSRLIVDMA-UHFFFAOYSA-N -1 1 379.909 3.829 20 10 GHCDMM CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCOC(C)(C)C3)c2)nc1C ZINC001232450748 1038233002 /nfs/dbraw/zinc/23/30/02/1038233002.db2.gz FIBCGHRMSJHDPD-UHFFFAOYSA-N -1 1 390.505 3.612 20 10 GHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC(O)(Cc2ccccc2)CC1 ZINC001233027022 1038779163 /nfs/dbraw/zinc/77/91/63/1038779163.db2.gz KKSIWSKBOYMDPM-UHFFFAOYSA-N -1 1 394.284 3.863 20 10 GHCDMM [O-]c1c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)ccc(F)c1F ZINC001233079564 1038844062 /nfs/dbraw/zinc/84/40/62/1038844062.db2.gz GGENPZXSPLQNIO-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@]1(F)CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419849 1039282367 /nfs/dbraw/zinc/28/23/67/1039282367.db2.gz OTPWUHRQICRXOD-QGZVFWFLSA-N -1 1 392.393 3.850 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)/C=C/c3ccccc3)cccc21 ZINC001252947649 1039291332 /nfs/dbraw/zinc/29/13/32/1039291332.db2.gz FRVURLLHPKHYLM-BUHFOSPRSA-N -1 1 389.432 3.875 20 10 GHCDMM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235067180 1040559016 /nfs/dbraw/zinc/55/90/16/1040559016.db2.gz ROXFWMICXHSWDE-NSHDSACASA-N -1 1 388.277 3.848 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1 ZINC001236669378 1041816147 /nfs/dbraw/zinc/81/61/47/1041816147.db2.gz IMKFHZWVNUNTPG-CQSZACIVSA-N -1 1 385.302 3.862 20 10 GHCDMM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277996140 1041820509 /nfs/dbraw/zinc/82/05/09/1041820509.db2.gz TXWGPOXQTZAGBE-INIZCTEOSA-N -1 1 379.234 3.531 20 10 GHCDMM CCN(C)c1ncnc2c1CC[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236789865 1041895449 /nfs/dbraw/zinc/89/54/49/1041895449.db2.gz KLYQZSKVJLAHMJ-UHFFFAOYSA-N -1 1 381.307 3.546 20 10 GHCDMM O=C(NCc1ccco1)C12CC(C1)CN2Cc1c([O-])ccc(Cl)c1Cl ZINC001237081032 1042026924 /nfs/dbraw/zinc/02/69/24/1042026924.db2.gz PMTYYECHBMAQRH-UHFFFAOYSA-N -1 1 381.259 3.573 20 10 GHCDMM COc1ccc2c(c1)CN(Cc1cccc(I)c1[O-])CC2 ZINC001237775336 1042363971 /nfs/dbraw/zinc/36/39/71/1042363971.db2.gz FIAFGPZKFFWUNM-UHFFFAOYSA-N -1 1 395.240 3.564 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001237936982 1042428052 /nfs/dbraw/zinc/42/80/52/1042428052.db2.gz LVBCTIJCHAESSD-SOVGHPHASA-N -1 1 392.858 3.638 20 10 GHCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Br)c2)c2ccncc12 ZINC001260093204 1045380745 /nfs/dbraw/zinc/38/07/45/1045380745.db2.gz CAJNYWRRLWLAOB-UHFFFAOYSA-N -1 1 393.262 3.812 20 10 GHCDMM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001279674225 1047909731 /nfs/dbraw/zinc/90/97/31/1047909731.db2.gz FLYNMHPDYMXXQV-AWEZNQCLSA-N -1 1 393.314 3.866 20 10 GHCDMM COc1ccc(-c2cc(CNC(=O)NCc3cccc(Cl)c3[O-])on2)cc1 ZINC001312986231 1052927383 /nfs/dbraw/zinc/92/73/83/1052927383.db2.gz JKVFXDMRROADQL-UHFFFAOYSA-N -1 1 387.823 3.709 20 10 GHCDMM COC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC001321979476 1056465565 /nfs/dbraw/zinc/46/55/65/1056465565.db2.gz QGSBSDMTBGVIJS-UHFFFAOYSA-N -1 1 393.237 3.571 20 10 GHCDMM COC(=O)c1c[n-]c(SCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC001459032002 1063985412 /nfs/dbraw/zinc/98/54/12/1063985412.db2.gz JMOVNNBGSOQNJY-UHFFFAOYSA-N -1 1 383.473 3.887 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000765766055 1068121772 /nfs/dbraw/zinc/12/17/72/1068121772.db2.gz VEYVQJDBQMSZLC-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM COC(=O)[C@H]1Cc2ccccc2N(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001474723724 1074533889 /nfs/dbraw/zinc/53/38/89/1074533889.db2.gz HBBYUFLOSZMKHO-ZDUSSCGKSA-N -1 1 394.240 3.646 20 10 GHCDMM CC(=O)c1cc(F)cc(C[NH2+][C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1[O-] ZINC001603102902 1126227299 /nfs/dbraw/zinc/22/72/99/1126227299.db2.gz CGBUINXHWRQCHT-LJQANCHMSA-N -1 1 379.815 3.563 20 10 GHCDMM Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000738749550 600055393 /nfs/dbraw/zinc/05/53/93/600055393.db2.gz HMRCQBOREPZBKT-UHFFFAOYSA-N -1 1 388.470 3.926 20 10 GHCDMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)cc1 ZINC000821486252 606393196 /nfs/dbraw/zinc/39/31/96/606393196.db2.gz AUKSFUINSGWDNC-NTEUORMPSA-N -1 1 399.526 3.896 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000782824321 837588095 /nfs/dbraw/zinc/58/80/95/837588095.db2.gz IVCNLMWUZHFCLZ-UHFFFAOYSA-N -1 1 395.506 3.520 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000894170573 844481945 /nfs/dbraw/zinc/48/19/45/844481945.db2.gz DOXPDEBVKPJECX-WBVHZDCISA-N -1 1 378.831 3.904 20 10 GHCDMM COc1ccccc1[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccco1 ZINC000375729910 848059526 /nfs/dbraw/zinc/05/95/26/848059526.db2.gz IQOWAEBTTMZGMK-GOSISDBHSA-N -1 1 384.388 3.790 20 10 GHCDMM C[C@H](c1ccccc1)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000910372968 851162280 /nfs/dbraw/zinc/16/22/80/851162280.db2.gz LWZXIGORXVWWHO-XAVKZTDYSA-N -1 1 381.432 3.576 20 10 GHCDMM COc1cc(Br)cc(SC)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320705 881355256 /nfs/dbraw/zinc/35/52/56/881355256.db2.gz JTLDWRBHZXFGAY-UHFFFAOYSA-N -1 1 398.278 3.886 20 10 GHCDMM COc1cccc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764761465 859598248 /nfs/dbraw/zinc/59/82/48/859598248.db2.gz AKRHTKVBNGBYIT-LLVKDONJSA-N -1 1 379.254 3.724 20 10 GHCDMM CC(C)c1nc(CCNC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000764768870 859603909 /nfs/dbraw/zinc/60/39/09/859603909.db2.gz IOVKDLODZKOBNN-UHFFFAOYSA-N -1 1 398.326 3.777 20 10 GHCDMM CCOc1cc(/C=C\C(=O)NCc2cccc(Br)c2[O-])ccc1O ZINC000765727183 860480349 /nfs/dbraw/zinc/48/03/49/860480349.db2.gz KJSIKSXKRZLUKX-CLFYSBASSA-N -1 1 392.249 3.589 20 10 GHCDMM Cc1nc(CC2CC2)sc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765728536 860492248 /nfs/dbraw/zinc/49/22/48/860492248.db2.gz VHHVERIENWKYIA-UHFFFAOYSA-N -1 1 381.295 3.802 20 10 GHCDMM COc1ccc2c(c1)[C@@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000765752686 860568128 /nfs/dbraw/zinc/56/81/28/860568128.db2.gz YUZHYXKYBOTNIZ-AWEZNQCLSA-N -1 1 376.250 3.510 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000793748907 882404917 /nfs/dbraw/zinc/40/49/17/882404917.db2.gz VKZUACNOXDMPTO-GOSISDBHSA-N -1 1 381.472 3.577 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000793748907 882404925 /nfs/dbraw/zinc/40/49/25/882404925.db2.gz VKZUACNOXDMPTO-GOSISDBHSA-N -1 1 381.472 3.577 20 10 GHCDMM C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193220879 870953202 /nfs/dbraw/zinc/95/32/02/870953202.db2.gz ZBXJDIGDBRHCIX-VXGBXAGGSA-N -1 1 398.887 3.517 20 10 GHCDMM CCOC(=O)[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1cccc2ccccc21 ZINC001193236898 870964963 /nfs/dbraw/zinc/96/49/63/870964963.db2.gz SJIKMLZWIWNHGP-SFHVURJKSA-N -1 1 399.830 3.939 20 10 GHCDMM CCOC(=O)c1ccc(OCC)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193230558 870990708 /nfs/dbraw/zinc/99/07/08/870990708.db2.gz VCFDQQMJVQPMPR-UHFFFAOYSA-N -1 1 379.796 3.579 20 10 GHCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)ccc1O ZINC001194234895 871555317 /nfs/dbraw/zinc/55/53/17/871555317.db2.gz AAXAQOBNJQVBBU-UHFFFAOYSA-N -1 1 391.832 3.786 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000768527788 873361487 /nfs/dbraw/zinc/36/14/87/873361487.db2.gz FFFFJJJURQRHBU-CYBMUJFWSA-N -1 1 396.354 3.798 20 10 GHCDMM CC(C)Oc1c(Cl)cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC001197206892 873650111 /nfs/dbraw/zinc/65/01/11/873650111.db2.gz DJNNXFKUUBBEJX-UHFFFAOYSA-N -1 1 398.242 3.805 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](c1ccccn1)C1CCC1 ZINC000528173027 874193381 /nfs/dbraw/zinc/19/33/81/874193381.db2.gz DKGZALSNQUQSBU-MRXNPFEDSA-N -1 1 390.281 3.890 20 10 GHCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Nc3ccccc3)c2)c1 ZINC000769824651 874311579 /nfs/dbraw/zinc/31/15/79/874311579.db2.gz LPQJNDHZEOOBSB-UHFFFAOYSA-N -1 1 397.456 3.760 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(C(F)(F)F)cn1 ZINC001203246118 875170152 /nfs/dbraw/zinc/17/01/52/875170152.db2.gz WFVULTJRQIOBLD-UHFFFAOYSA-N -1 1 390.159 3.890 20 10 GHCDMM CC[C@@H](C)[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000772522282 875994271 /nfs/dbraw/zinc/99/42/71/875994271.db2.gz HDPHRMUHZLJNDA-PRHODGIISA-N -1 1 383.208 3.931 20 10 GHCDMM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1c([O-])c(O)ccc1F ZINC001183085931 912241522 /nfs/dbraw/zinc/24/15/22/912241522.db2.gz SUDPQNYNEYAQHY-VIFPVBQESA-N -1 1 385.222 3.552 20 10 GHCDMM COc1ccccc1-c1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000789879616 879311089 /nfs/dbraw/zinc/31/10/89/879311089.db2.gz XVFFTZIXQJIADC-UHFFFAOYSA-N -1 1 376.210 3.825 20 10 GHCDMM CC[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000806158405 884414478 /nfs/dbraw/zinc/41/44/78/884414478.db2.gz LPPGQGZTISIBIE-HNNXBMFYSA-N -1 1 380.897 3.931 20 10 GHCDMM Cc1ccc(NCc2cccc(Cl)c2[O-])c(C)c1S(=O)(=O)NC1CC1 ZINC000809683567 887701667 /nfs/dbraw/zinc/70/16/67/887701667.db2.gz FKUJZRSEVMUCEJ-UHFFFAOYSA-N -1 1 380.897 3.715 20 10 GHCDMM O=C([O-])[C@@H](CCC[NH2+]Cc1c([O-])cccc1Br)Cc1ccccc1 ZINC000864505147 887810098 /nfs/dbraw/zinc/81/00/98/887810098.db2.gz BKONIYIJYKIVNO-HNNXBMFYSA-N -1 1 392.293 3.968 20 10 GHCDMM O=C(CCCOc1ccc(Cl)cc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590252 889150981 /nfs/dbraw/zinc/15/09/81/889150981.db2.gz SMHYLBBAEOVPCI-UHFFFAOYSA-N -1 1 399.226 3.990 20 10 GHCDMM O=C(COC(=O)c1cccnc1Sc1ccccc1)c1ccc([O-])c(O)c1 ZINC000916608716 889164488 /nfs/dbraw/zinc/16/44/88/889164488.db2.gz GOASKUONCYCDML-UHFFFAOYSA-N -1 1 381.409 3.684 20 10 GHCDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1C ZINC000811706098 889881419 /nfs/dbraw/zinc/88/14/19/889881419.db2.gz XPJMJVZIQFAAEK-UHFFFAOYSA-N -1 1 394.449 3.643 20 10 GHCDMM COc1c([O-])c(CN2CCn3cccc3[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774841869 913733138 /nfs/dbraw/zinc/73/31/38/913733138.db2.gz QLEUFRJHPDDPKP-IBGZPJMESA-N -1 1 379.416 3.716 20 10 GHCDMM COc1c([O-])c(CN2CCc3c(Br)cccc3C2)ccc1[N+](=O)[O-] ZINC000774871200 913846405 /nfs/dbraw/zinc/84/64/05/913846405.db2.gz WJATTZTZMNFGHN-UHFFFAOYSA-N -1 1 393.237 3.630 20 10 GHCDMM CCS(=O)(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1OC ZINC000816526237 894925066 /nfs/dbraw/zinc/92/50/66/894925066.db2.gz YROVQWKHPJRMNS-UHFFFAOYSA-N -1 1 388.848 3.567 20 10 GHCDMM CC(C)(C)NS(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816607077 894968707 /nfs/dbraw/zinc/96/87/07/894968707.db2.gz FAKFCOFMFYBQSY-UHFFFAOYSA-N -1 1 386.876 3.874 20 10 GHCDMM CC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844207861 900600336 /nfs/dbraw/zinc/60/03/36/900600336.db2.gz CIYRMFBYYXNEGS-LUAWRHEFSA-N -1 1 395.459 3.793 20 10 GHCDMM Cc1c(Cl)cc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c(O)c1Cl ZINC001147887387 903891526 /nfs/dbraw/zinc/89/15/26/903891526.db2.gz KZJYJYNXQLHXQP-UHFFFAOYSA-N -1 1 378.215 3.739 20 10 GHCDMM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC001179881684 909802737 /nfs/dbraw/zinc/80/27/37/909802737.db2.gz IZPAIYBEUKHXBV-ZDUSSCGKSA-N -1 1 394.849 3.599 20 10 GHCDMM CC[C@]1(C(=O)NCc2cccc(Cl)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC001180409625 910151294 /nfs/dbraw/zinc/15/12/94/910151294.db2.gz FNLPUZXDBBNHSK-LJQANCHMSA-N -1 1 382.888 3.842 20 10 GHCDMM CCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(C)C)c3)cc21 ZINC000901948017 921765865 /nfs/dbraw/zinc/76/58/65/921765865.db2.gz RGTOAOHSISBMIZ-UHFFFAOYSA-N -1 1 388.489 3.616 20 10 GHCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(Oc2cccnc2)cc1 ZINC001188894231 916283138 /nfs/dbraw/zinc/28/31/38/916283138.db2.gz KNTPEWFXYMSZCG-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)ccc1O ZINC001189036758 916356793 /nfs/dbraw/zinc/35/67/93/916356793.db2.gz XHAKJPHIWVNERX-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000782259510 931144467 /nfs/dbraw/zinc/14/44/67/931144467.db2.gz VCDRRSGRTMATKK-UHFFFAOYSA-N -1 1 381.425 3.551 20 10 GHCDMM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783411002 931541273 /nfs/dbraw/zinc/54/12/73/931541273.db2.gz RAILYKLSKOXHAL-SECBINFHSA-N -1 1 385.199 3.598 20 10 GHCDMM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783437516 931545548 /nfs/dbraw/zinc/54/55/48/931545548.db2.gz NAJDHLNLWNLCKK-NWDGAFQWSA-N -1 1 381.211 3.934 20 10 GHCDMM CC(C(=O)OCC(=O)c1ccc([O-])c(O)c1)(c1ccccc1)c1ccccc1 ZINC000783503787 931565318 /nfs/dbraw/zinc/56/53/18/931565318.db2.gz POBMZRULQKMLGP-UHFFFAOYSA-N -1 1 376.408 3.830 20 10 GHCDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784620296 931959637 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3.622 20 10 GHCDMM C[C@@H](Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2)C(F)(F)F ZINC001228195821 1032835847 /nfs/dbraw/zinc/83/58/47/1032835847.db2.gz WNTLJQJPDXLXSA-CLAHSXSESA-N -1 1 384.306 3.840 20 10 GHCDMM C[C@H](NCc1nncn1-c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756404294 1023630877 /nfs/dbraw/zinc/63/08/77/1023630877.db2.gz UNOROPNBWIDABL-NSHDSACASA-N -1 1 391.244 3.725 20 10 GHCDMM C[C@H](Nc1ccc(OCCC(N)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756813083 1023824873 /nfs/dbraw/zinc/82/48/73/1023824873.db2.gz CSLDSYTXWOPETD-JTQLQIEISA-N -1 1 397.244 3.721 20 10 GHCDMM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517178 1029019779 /nfs/dbraw/zinc/01/97/79/1029019779.db2.gz CQEJPSHLSLGNRK-UHFFFAOYSA-N -1 1 396.441 3.791 20 10 GHCDMM COc1ccc(NCc2cc(F)cc(F)c2[O-])c(I)c1 ZINC001461487978 1069572769 /nfs/dbraw/zinc/57/27/69/1069572769.db2.gz KLXLNSFGTWPJAR-UHFFFAOYSA-N -1 1 391.155 3.896 20 10 GHCDMM O=C1c2ccccc2C(=O)c2c(O)c([O-])cc(O[C@@H]3CCOc4ccccc43)c21 ZINC001229197376 1033335424 /nfs/dbraw/zinc/33/54/24/1033335424.db2.gz OEWROZKAKCPBPF-QGZVFWFLSA-N -1 1 388.375 3.776 20 10 GHCDMM Cc1cn2c(n1)[C@@H](Oc1c(C)c([O-])cc3c1C(=O)c1ccccc1C3=O)CCC2 ZINC001229829574 1033739692 /nfs/dbraw/zinc/73/96/92/1033739692.db2.gz UVSWGHQNPYFQFA-SFHVURJKSA-N -1 1 388.423 3.895 20 10 GHCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)cc1O ZINC000326783418 1034269355 /nfs/dbraw/zinc/26/93/55/1034269355.db2.gz VGBKBMZBWNCGIX-UHFFFAOYSA-N -1 1 390.244 3.815 20 10 GHCDMM [O-]c1cc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc(F)c1F ZINC001232974026 1038745306 /nfs/dbraw/zinc/74/53/06/1038745306.db2.gz GGHFSVDKVFINSR-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM CC(C)S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccc1 ZINC001252521624 1039019811 /nfs/dbraw/zinc/01/98/11/1039019811.db2.gz GPHUKRANKFSMET-UHFFFAOYSA-N -1 1 382.279 3.830 20 10 GHCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H]2c2ccncc2)c1 ZINC001233307924 1039098491 /nfs/dbraw/zinc/09/84/91/1039098491.db2.gz VPUABHGFEHZCMA-MRXNPFEDSA-N -1 1 391.265 3.673 20 10 GHCDMM CCOC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2c1cnn2CC ZINC001233416729 1039271677 /nfs/dbraw/zinc/27/16/77/1039271677.db2.gz TWSGRVQELFIULS-AWEZNQCLSA-N -1 1 383.414 3.763 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001233495585 1039389183 /nfs/dbraw/zinc/38/91/83/1039389183.db2.gz PFJAJGAAZFOBLW-XIKOKIGWSA-N -1 1 379.453 3.715 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC(Oc2cccnc2)CC1 ZINC001235064545 1040552226 /nfs/dbraw/zinc/55/22/26/1040552226.db2.gz HHDCINQMGAOOND-UHFFFAOYSA-N -1 1 381.245 3.732 20 10 GHCDMM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235067179 1040557927 /nfs/dbraw/zinc/55/79/27/1040557927.db2.gz ROXFWMICXHSWDE-LLVKDONJSA-N -1 1 388.277 3.848 20 10 GHCDMM CCc1noc(C2CCN(Cc3cc(F)cc(Br)c3[O-])CC2)n1 ZINC001235302002 1040776383 /nfs/dbraw/zinc/77/63/83/1040776383.db2.gz IYFQAHSTMZNQEP-UHFFFAOYSA-N -1 1 384.249 3.619 20 10 GHCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2cnn(CC3CC3)c21 ZINC001237121038 1042048607 /nfs/dbraw/zinc/04/86/07/1042048607.db2.gz IEZSGKLRWWSGRK-OAHLLOKOSA-N -1 1 393.890 3.927 20 10 GHCDMM CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237127894 1042055181 /nfs/dbraw/zinc/05/51/81/1042055181.db2.gz JLFCYNSYBUKKFP-LJQANCHMSA-N -1 1 393.842 3.856 20 10 GHCDMM CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)[N-]c3ccc(N)nc3)cc2)cc1 ZINC001237529065 1042252772 /nfs/dbraw/zinc/25/27/72/1042252772.db2.gz HWDSDCBSCUXSOV-GHVJWSGMSA-N -1 1 396.476 3.946 20 10 GHCDMM CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237944019 1042433197 /nfs/dbraw/zinc/43/31/97/1042433197.db2.gz RNDWPGURAXQJFG-NSHDSACASA-N -1 1 394.821 3.919 20 10 GHCDMM C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCOc2ccccc21 ZINC001297440526 1045522855 /nfs/dbraw/zinc/52/28/55/1045522855.db2.gz OIHHYMNOKXPWQK-GOSISDBHSA-N -1 1 376.250 3.511 20 10 GHCDMM O=C(Cc1nsc2ccccc21)NCc1cccc(Br)c1[O-] ZINC001297440687 1045524436 /nfs/dbraw/zinc/52/44/36/1045524436.db2.gz OXGSJLQXNILLFS-UHFFFAOYSA-N -1 1 377.263 3.623 20 10 GHCDMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc(Cl)c2nonc21 ZINC001261065840 1045884593 /nfs/dbraw/zinc/88/45/93/1045884593.db2.gz FECGEDYNVCGIJF-UHFFFAOYSA-N -1 1 395.721 3.835 20 10 GHCDMM O=C(Nc1cccnc1)N1CCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676677 1047910755 /nfs/dbraw/zinc/91/07/55/1047910755.db2.gz LOHSWAJQDAAEAK-UHFFFAOYSA-N -1 1 393.274 3.586 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnccc1C(F)(F)F ZINC001311186768 1051929718 /nfs/dbraw/zinc/92/97/18/1051929718.db2.gz DBPHFLLLWSLUDU-UHFFFAOYSA-N -1 1 390.159 3.890 20 10 GHCDMM CN1CCN(c2ccc(/C=C\c3cc(C(=O)[O-])c4ccc(F)cc4n3)cc2)CC1 ZINC001337118740 1052402844 /nfs/dbraw/zinc/40/28/44/1052402844.db2.gz UKEGWHWIEJRNBF-KXFIGUGUSA-N -1 1 391.446 3.994 20 10 GHCDMM COc1c([O-])c(CN2CCO[C@H](c3ccc(Cl)s3)C2)ccc1[N+](=O)[O-] ZINC001320899379 1056005981 /nfs/dbraw/zinc/00/59/81/1056005981.db2.gz IYDLIWOJRDNAIP-LBPRGKRZSA-N -1 1 384.841 3.597 20 10 GHCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1F ZINC001321142669 1056115655 /nfs/dbraw/zinc/11/56/55/1056115655.db2.gz PJFTZOHAPWQSDC-UHFFFAOYSA-N -1 1 380.441 3.722 20 10 GHCDMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001339907315 1059549079 /nfs/dbraw/zinc/54/90/79/1059549079.db2.gz HRLHMUCLVQFBFX-CYBMUJFWSA-N -1 1 389.883 3.573 20 10 GHCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(Br)cc1[N+](=O)[O-] ZINC001346941801 1061997644 /nfs/dbraw/zinc/99/76/44/1061997644.db2.gz ZDPXQOUMLFKFTQ-UHFFFAOYSA-N -1 1 397.572 3.799 20 10 GHCDMM Cc1cc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(C)n1-c1ccccc1 ZINC001436668532 1063603915 /nfs/dbraw/zinc/60/39/15/1063603915.db2.gz NAVZCHVSXLTQPU-UHFFFAOYSA-N -1 1 376.460 3.650 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(c2cccc(F)c2)CC1 ZINC001468916704 1067926988 /nfs/dbraw/zinc/92/69/88/1067926988.db2.gz AIXIVVOVUVMVRV-UHFFFAOYSA-N -1 1 377.847 3.653 20 10 GHCDMM O=S(=O)(c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCCCCC1 ZINC001474139430 1074274357 /nfs/dbraw/zinc/27/43/57/1074274357.db2.gz GJAIVASMDDQRGV-UHFFFAOYSA-N -1 1 396.459 3.847 20 10 GHCDMM COc1c([O-])c(CN[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001474530447 1074451798 /nfs/dbraw/zinc/45/17/98/1074451798.db2.gz PAJRTQGOSJTZPL-AWEZNQCLSA-N -1 1 396.484 3.935 20 10 GHCDMM COc1cc(C(C)C)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC001475774345 1075019086 /nfs/dbraw/zinc/01/90/86/1075019086.db2.gz AJSUCYGKIYPOJH-UHFFFAOYSA-N -1 1 383.897 3.965 20 10 GHCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)cc1 ZINC000822241368 606389359 /nfs/dbraw/zinc/38/93/59/606389359.db2.gz SZVVLRFZCMXZBO-MDWZMJQESA-N -1 1 385.499 3.642 20 10 GHCDMM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000820570780 606393683 /nfs/dbraw/zinc/39/36/83/606393683.db2.gz RDQNGZMNVSDINH-RSYJBZMQSA-N -1 1 399.526 3.891 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccc(N2CCOC2=O)c1 ZINC000892358953 835057529 /nfs/dbraw/zinc/05/75/29/835057529.db2.gz ICEIUHBCMYCAPA-GFCCVEGCSA-N -1 1 389.839 3.563 20 10 GHCDMM CC(C)n1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C2CCOCC2)n1 ZINC000890761809 836726051 /nfs/dbraw/zinc/72/60/51/836726051.db2.gz YSTBDQPDXGUKFG-UHFFFAOYSA-N -1 1 377.872 3.647 20 10 GHCDMM CCN(CC)c1ccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000893872692 844219035 /nfs/dbraw/zinc/21/90/35/844219035.db2.gz YRSHSNZDTNGVEN-UHFFFAOYSA-N -1 1 384.524 3.907 20 10 GHCDMM CCCC(=O)Nc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000891927335 843833433 /nfs/dbraw/zinc/83/34/33/843833433.db2.gz RIGKCGBMINUJNZ-UHFFFAOYSA-N -1 1 375.856 3.784 20 10 GHCDMM Cc1cnc([C@H](C)CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277305031 845624109 /nfs/dbraw/zinc/62/41/09/845624109.db2.gz CHMGCCFTODYRLA-SECBINFHSA-N -1 1 384.299 3.523 20 10 GHCDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)ccc1Cl ZINC000327371984 849000455 /nfs/dbraw/zinc/00/04/55/849000455.db2.gz LXNRCFVRLHPYOS-UHFFFAOYSA-N -1 1 381.841 3.649 20 10 GHCDMM O=C(CNc1ncc(C(F)(F)F)cc1Br)c1ccc([O-])c(O)c1 ZINC001170315430 881345023 /nfs/dbraw/zinc/34/50/23/881345023.db2.gz YGMGKHFIKHASEP-UHFFFAOYSA-N -1 1 391.143 3.569 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1c(F)c(F)cc(F)c1F ZINC000765766051 857241067 /nfs/dbraw/zinc/24/10/67/857241067.db2.gz VDQBTHAJKRTQFR-UHFFFAOYSA-N -1 1 378.119 3.641 20 10 GHCDMM O=C(NCc1coc2ccccc12)NCc1cccc(Br)c1[O-] ZINC000764783894 859602931 /nfs/dbraw/zinc/60/29/31/859602931.db2.gz MNRAYJWXHMOJFV-UHFFFAOYSA-N -1 1 375.222 3.900 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCOc2ccccc21 ZINC000764768967 859603839 /nfs/dbraw/zinc/60/38/39/859603839.db2.gz LHMLFSMRDPRUSW-HNNXBMFYSA-N -1 1 391.265 3.868 20 10 GHCDMM Cc1ccccc1O[C@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764792862 859610907 /nfs/dbraw/zinc/61/09/07/859610907.db2.gz XTFKAVBSNBTBII-CYBMUJFWSA-N -1 1 393.281 3.730 20 10 GHCDMM CCOCCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000764798445 859612621 /nfs/dbraw/zinc/61/26/21/859612621.db2.gz SFUQCFYKKRVEDC-UHFFFAOYSA-N -1 1 399.329 3.941 20 10 GHCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])n(C(C)(C)C)n1 ZINC000765250687 859865684 /nfs/dbraw/zinc/86/56/84/859865684.db2.gz GCGNQLUDNKRYFF-UHFFFAOYSA-N -1 1 381.274 3.736 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc(C(F)(F)F)n1 ZINC000765343487 859921066 /nfs/dbraw/zinc/92/10/66/859921066.db2.gz UAEMSKIUHNCMGG-UHFFFAOYSA-N -1 1 390.159 3.890 20 10 GHCDMM O=C(CCCOc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000765728495 860492416 /nfs/dbraw/zinc/49/24/16/860492416.db2.gz UFHRIQBQZYCZSI-UHFFFAOYSA-N -1 1 382.229 3.769 20 10 GHCDMM CC(C)C(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765751620 860568088 /nfs/dbraw/zinc/56/80/88/860568088.db2.gz HPFARYYEBFTQOJ-UHFFFAOYSA-N -1 1 391.265 3.679 20 10 GHCDMM NC(=O)c1sc(-c2ccsc2)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193220727 870951608 /nfs/dbraw/zinc/95/16/08/870951608.db2.gz WEGFLYJWZAXCRL-UHFFFAOYSA-N -1 1 394.861 3.892 20 10 GHCDMM COC(=O)c1cccc([C@@H]2CCCN2C(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193232806 870963105 /nfs/dbraw/zinc/96/31/05/870963105.db2.gz PVXGAOKUXNQPRE-AWEZNQCLSA-N -1 1 375.808 3.515 20 10 GHCDMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115490880 882500048 /nfs/dbraw/zinc/50/00/48/882500048.db2.gz OGZXZBCZSBJVON-UHFFFAOYSA-N -1 1 395.532 3.607 20 10 GHCDMM CCOC(=O)[C@H]1c2ccoc2CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001196124729 872910534 /nfs/dbraw/zinc/91/05/34/872910534.db2.gz OJEVLQDXGVSUTR-QGZVFWFLSA-N -1 1 377.824 3.504 20 10 GHCDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1-n1nnnc1C1CC1 ZINC000775757186 873574799 /nfs/dbraw/zinc/57/47/99/873574799.db2.gz DJSPJDONKVTEFZ-UHFFFAOYSA-N -1 1 389.818 3.659 20 10 GHCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000769737269 874274666 /nfs/dbraw/zinc/27/46/66/874274666.db2.gz DOFDZIIBEFBAGC-QGZVFWFLSA-N -1 1 388.895 3.933 20 10 GHCDMM CN1CCN(c2ccc(/C=C(\CC(=O)[O-])c3nc4ccccc4o3)cc2)CC1 ZINC000771517755 875308275 /nfs/dbraw/zinc/30/82/75/875308275.db2.gz JPRXEYBDYWLZMV-SAPNQHFASA-N -1 1 377.444 3.595 20 10 GHCDMM O=C1C[C@@H](c2cccc(NCc3cc(Br)cc(F)c3[O-])c2)CN1 ZINC001201557428 875751850 /nfs/dbraw/zinc/75/18/50/875751850.db2.gz IDQFHIWELRSDGJ-LLVKDONJSA-N -1 1 379.229 3.509 20 10 GHCDMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc2c1C ZINC000788748869 878322480 /nfs/dbraw/zinc/32/24/80/878322480.db2.gz MDYAFECDXKLCNL-UHFFFAOYSA-N -1 1 389.429 3.733 20 10 GHCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000790409325 879688443 /nfs/dbraw/zinc/68/84/43/879688443.db2.gz NQIUREVRKZQKBW-UHFFFAOYSA-N -1 1 377.462 3.913 20 10 GHCDMM C[C@@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1nnnn1C1CC1 ZINC000790753796 879956370 /nfs/dbraw/zinc/95/63/70/879956370.db2.gz FQPYTLZHFIRZGK-JGVFFNPUSA-N -1 1 386.681 3.541 20 10 GHCDMM CC[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000806158406 884414265 /nfs/dbraw/zinc/41/42/65/884414265.db2.gz LPPGQGZTISIBIE-OAHLLOKOSA-N -1 1 380.897 3.931 20 10 GHCDMM Cc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(C)n1-c1ccccn1 ZINC000914903972 885136143 /nfs/dbraw/zinc/13/61/43/885136143.db2.gz WPPVFLYICHCVNY-UHFFFAOYSA-N -1 1 390.395 3.658 20 10 GHCDMM COCCOCCN(C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000808238126 886172311 /nfs/dbraw/zinc/17/23/11/886172311.db2.gz STWKNBJVJGCULW-UHFFFAOYSA-N -1 1 397.471 3.569 20 10 GHCDMM O=C1OCc2ccc(S(=O)(=O)[N-]c3cccc(N4CCCCCC4)c3)cc21 ZINC000119943902 887656489 /nfs/dbraw/zinc/65/64/89/887656489.db2.gz WXNARYVNXKUBMV-UHFFFAOYSA-N -1 1 386.473 3.538 20 10 GHCDMM CN(C)C(=O)NCCc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000865707265 888529920 /nfs/dbraw/zinc/52/99/20/888529920.db2.gz GTULZPAGWMGEAR-UHFFFAOYSA-N -1 1 392.297 3.581 20 10 GHCDMM C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)c4ccc([O-])c(O)c4)cc3c2C1 ZINC000916590707 889152409 /nfs/dbraw/zinc/15/24/09/889152409.db2.gz HGJQVHIJRBPXKT-LBPRGKRZSA-N -1 1 379.412 3.744 20 10 GHCDMM O=C(COc1ccc2oc3ccccc3c2c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916608816 889175641 /nfs/dbraw/zinc/17/56/41/889175641.db2.gz OHGYBJQNCYBZAH-UHFFFAOYSA-N -1 1 392.363 3.802 20 10 GHCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)c([O-])c1 ZINC001137081298 892266881 /nfs/dbraw/zinc/26/68/81/892266881.db2.gz CVMNCUFZPCBLPH-ZDUSSCGKSA-N -1 1 380.366 3.532 20 10 GHCDMM CC[C@@]1(c2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2)CCC(=O)NC1=O ZINC000816525153 894923934 /nfs/dbraw/zinc/92/39/34/894923934.db2.gz HOJHTECGZCFXSX-FQEVSTJZSA-N -1 1 390.842 3.881 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000816619168 894978901 /nfs/dbraw/zinc/97/89/01/894978901.db2.gz VIDLASAIWIPFLN-UHFFFAOYSA-N -1 1 399.292 3.602 20 10 GHCDMM O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC000006531976 898376368 /nfs/dbraw/zinc/37/63/68/898376368.db2.gz MTOVJIPINUIIKV-UHFFFAOYSA-N -1 1 381.457 3.590 20 10 GHCDMM Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586047 904127660 /nfs/dbraw/zinc/12/76/60/904127660.db2.gz GKUWKQOCHASIFX-UHFFFAOYSA-N -1 1 377.396 3.904 20 10 GHCDMM C[C@H](CC(N)=O)c1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001179666547 909656801 /nfs/dbraw/zinc/65/68/01/909656801.db2.gz UTAACFGACIYQFE-SNVBAGLBSA-N -1 1 381.245 3.885 20 10 GHCDMM O=C(CSc1ccc(C(F)(F)F)cn1)NCc1cccc(Cl)c1[O-] ZINC001180400317 910117072 /nfs/dbraw/zinc/11/70/72/910117072.db2.gz KVHFUFNQGBJGQX-UHFFFAOYSA-N -1 1 376.787 3.868 20 10 GHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC001180409904 910151868 /nfs/dbraw/zinc/15/18/68/910151868.db2.gz IFJNJDISSDIFTD-UHFFFAOYSA-N -1 1 385.601 3.646 20 10 GHCDMM CCc1cccc(CC)c1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC001189955838 917019755 /nfs/dbraw/zinc/01/97/55/917019755.db2.gz ZQLHPMLEXGKBLI-UHFFFAOYSA-N -1 1 398.322 3.758 20 10 GHCDMM Cc1cc(Br)cc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001191305633 917908697 /nfs/dbraw/zinc/90/86/97/917908697.db2.gz FVTKTCAOTZCONR-UHFFFAOYSA-N -1 1 378.194 3.542 20 10 GHCDMM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c(F)ccc([O-])c1F ZINC000367377133 922071901 /nfs/dbraw/zinc/07/19/01/922071901.db2.gz HHVPKWMFRKOMRL-UHFFFAOYSA-N -1 1 398.356 3.671 20 10 GHCDMM NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1N1CCCCC1 ZINC000802651811 922306643 /nfs/dbraw/zinc/30/66/43/922306643.db2.gz CHLVSBDJLZNIST-UHFFFAOYSA-N -1 1 377.847 3.886 20 10 GHCDMM O=C(CCc1ccc(-c2ccccc2F)o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782151755 931102115 /nfs/dbraw/zinc/10/21/15/931102115.db2.gz JQMYLJWZGJVGNH-UHFFFAOYSA-N -1 1 384.359 3.856 20 10 GHCDMM O=C(CCCc1ncc(-c2ccccc2)o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782886183 931357548 /nfs/dbraw/zinc/35/75/48/931357548.db2.gz XGTSJJHZUZNKGJ-UHFFFAOYSA-N -1 1 381.384 3.502 20 10 GHCDMM COc1cc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CCCC2)ccc1C ZINC000783573079 931585718 /nfs/dbraw/zinc/58/57/18/931585718.db2.gz DESMZJSQEDPEDO-UHFFFAOYSA-N -1 1 384.428 3.653 20 10 GHCDMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000798958535 932840066 /nfs/dbraw/zinc/84/00/66/932840066.db2.gz CGDAAIAVOVLTRM-QGZVFWFLSA-N -1 1 378.831 3.715 20 10 GHCDMM COC(=O)c1c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c2cc(F)ccc2n1C ZINC001593867122 955590177 /nfs/dbraw/zinc/59/01/77/955590177.db2.gz ZEBVMWSPFPIGRW-AEFFLSMTSA-N -1 1 396.418 3.507 20 10 GHCDMM COc1ncc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c2ccccc21 ZINC001599735066 991763024 /nfs/dbraw/zinc/76/30/24/991763024.db2.gz PSQGCVJSCRIXPP-UHFFFAOYSA-N -1 1 386.835 3.689 20 10 GHCDMM COc1ncc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c2ccccc21 ZINC001599735066 991763027 /nfs/dbraw/zinc/76/30/27/991763027.db2.gz PSQGCVJSCRIXPP-UHFFFAOYSA-N -1 1 386.835 3.689 20 10 GHCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1CCCc2cccnc21 ZINC001228116221 1032789488 /nfs/dbraw/zinc/78/94/88/1032789488.db2.gz WBQWIKXBNPJFFU-GOSISDBHSA-N -1 1 377.396 3.886 20 10 GHCDMM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)cc3[O-])cc2F)C[C@H](C)O1 ZINC001626157665 1021293788 /nfs/dbraw/zinc/29/37/88/1021293788.db2.gz GNENMZCUPOWFJF-STQMWFEESA-N -1 1 392.858 3.728 20 10 GHCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])cccc2Cl)CC(F)(F)C1 ZINC001140341779 1021452411 /nfs/dbraw/zinc/45/24/11/1021452411.db2.gz HKUWTWZWQWQHLV-NSHDSACASA-N -1 1 376.831 3.780 20 10 GHCDMM [O-]c1ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1F ZINC001140895811 1022823510 /nfs/dbraw/zinc/82/35/10/1022823510.db2.gz XMXKLDPXVMCHIS-UHFFFAOYSA-N -1 1 388.336 3.891 20 10 GHCDMM CCN(C(C)=O)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141375232 1024769094 /nfs/dbraw/zinc/76/90/94/1024769094.db2.gz ZUSUYFDYKLVAAA-UHFFFAOYSA-N -1 1 389.721 3.641 20 10 GHCDMM CCCCOC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141376746 1024773509 /nfs/dbraw/zinc/77/35/09/1024773509.db2.gz CBZWPTJKBGFFCK-NSHDSACASA-N -1 1 390.705 3.973 20 10 GHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(Oc2ccncn2)CC1 ZINC001141377490 1024775282 /nfs/dbraw/zinc/77/52/82/1024775282.db2.gz QKSKQYJZJNLENN-UHFFFAOYSA-N -1 1 398.688 3.642 20 10 GHCDMM O=C(c1ccco1)N1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC001203579277 1027447570 /nfs/dbraw/zinc/44/75/70/1027447570.db2.gz QMSOJXNQWLFEBI-XHDPSFHLSA-N -1 1 381.259 3.639 20 10 GHCDMM Cc1cc(F)c(F)c(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1 ZINC001217056940 1030130573 /nfs/dbraw/zinc/13/05/73/1030130573.db2.gz XWFFUFBAUNOWSG-UHFFFAOYSA-N -1 1 387.386 3.528 20 10 GHCDMM CCCCC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785711 1033711961 /nfs/dbraw/zinc/71/19/61/1033711961.db2.gz JDQXSHKHNSOESH-NSHDSACASA-N -1 1 376.405 3.793 20 10 GHCDMM C[C@@H]1CCC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)[C@H]1C ZINC001229792196 1033719703 /nfs/dbraw/zinc/71/97/03/1033719703.db2.gz PUQVEJYWYDFPIQ-VGTOOOLASA-N -1 1 388.416 3.649 20 10 GHCDMM Cc1nn(C)cc1[C@@H](C)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229829204 1033740084 /nfs/dbraw/zinc/74/00/84/1033740084.db2.gz OFRCVCWNEFJTAV-CYBMUJFWSA-N -1 1 376.412 3.658 20 10 GHCDMM C[C@H]1Cc2cccc(Br)c2CN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452794 1034597214 /nfs/dbraw/zinc/59/72/14/1034597214.db2.gz FLFXYCFOEUKSSQ-NSHDSACASA-N -1 1 376.250 3.800 20 10 GHCDMM O=C([O-])c1ccc(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c(O)c1 ZINC001231454535 1034598234 /nfs/dbraw/zinc/59/82/34/1034598234.db2.gz ZRKOPRXMKMAALT-KRWDZBQOSA-N -1 1 381.350 3.683 20 10 GHCDMM O=C([O-])c1ccc(O)c(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001231567230 1034716904 /nfs/dbraw/zinc/71/69/04/1034716904.db2.gz AWEIIXOBCMVZPV-KRWDZBQOSA-N -1 1 381.350 3.683 20 10 GHCDMM COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c(O)c1I ZINC001248489986 1035911472 /nfs/dbraw/zinc/91/14/72/1035911472.db2.gz SSTYTAVLLMHRBM-GHMZBOCLSA-N -1 1 375.250 3.626 20 10 GHCDMM Cn1nccc1C1=CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001462219536 1070095964 /nfs/dbraw/zinc/09/59/64/1070095964.db2.gz KPVNTKKGLLTINW-UHFFFAOYSA-N -1 1 382.689 3.831 20 10 GHCDMM CC(C)(C)OC(=O)[C@H]1CCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030883 1038783404 /nfs/dbraw/zinc/78/34/04/1038783404.db2.gz QSOULTQKRRYEOB-NSHDSACASA-N -1 1 388.277 3.848 20 10 GHCDMM [O-]c1c(F)c(F)ccc1CN1CCN(c2cccc(Br)c2)CC1 ZINC001233077753 1038841670 /nfs/dbraw/zinc/84/16/70/1038841670.db2.gz ZDCBOXPOBSFEGY-UHFFFAOYSA-N -1 1 383.236 3.755 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001234474378 1040055888 /nfs/dbraw/zinc/05/58/88/1040055888.db2.gz RRQSRYHSNKVDMO-NQIIRXRSSA-N -1 1 391.464 3.859 20 10 GHCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC001235296599 1040768344 /nfs/dbraw/zinc/76/83/44/1040768344.db2.gz LODYHXSWLDBSNG-CYBMUJFWSA-N -1 1 386.183 3.573 20 10 GHCDMM COCCN1CCN(Cc2c([O-])ccc(Cl)c2Cl)Cc2cccnc21 ZINC001237082060 1042027645 /nfs/dbraw/zinc/02/76/45/1042027645.db2.gz WFOREYJZFWMSNB-UHFFFAOYSA-N -1 1 382.291 3.563 20 10 GHCDMM CC(C)(C)Cc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)o1 ZINC001257843682 1044216606 /nfs/dbraw/zinc/21/66/06/1044216606.db2.gz LGQVHNBEEGLTFQ-UHFFFAOYSA-N -1 1 378.384 3.512 20 10 GHCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(Oc2ccccn2)cc1 ZINC001260147384 1045397605 /nfs/dbraw/zinc/39/76/05/1045397605.db2.gz YQQXCTANIVTIIO-UHFFFAOYSA-N -1 1 378.356 3.659 20 10 GHCDMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cc2)cc1 ZINC001260221168 1045418230 /nfs/dbraw/zinc/41/82/30/1045418230.db2.gz ASABKCBVXMLTGS-UHFFFAOYSA-N -1 1 399.399 3.556 20 10 GHCDMM C[C@@H](OCc1ccc(F)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC001297439836 1045522794 /nfs/dbraw/zinc/52/27/94/1045522794.db2.gz KEXJRYIBHKPKJL-LLVKDONJSA-N -1 1 382.229 3.515 20 10 GHCDMM O=C(CCCCCNC(=O)NC1CCCCC1)NCc1cccc(Cl)c1[O-] ZINC001305085195 1047888915 /nfs/dbraw/zinc/88/89/15/1047888915.db2.gz SDGCQUWUAZIDDK-UHFFFAOYSA-N -1 1 395.931 3.854 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000750038735 1047940357 /nfs/dbraw/zinc/94/03/57/1047940357.db2.gz JVKNZZZJFQECJC-HNNXBMFYSA-N -1 1 382.888 3.737 20 10 GHCDMM CCNC(=O)Nc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1C ZINC001310685358 1051531204 /nfs/dbraw/zinc/53/12/04/1051531204.db2.gz RVPUPGMTYASFJO-UHFFFAOYSA-N -1 1 376.844 3.817 20 10 GHCDMM CC(C)(C)OC(=O)NCCCCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC001312904485 1052907135 /nfs/dbraw/zinc/90/71/35/1052907135.db2.gz DQBOZYZOCYTCAD-UHFFFAOYSA-N -1 1 399.919 3.930 20 10 GHCDMM O=C1N[C@@H](c2cccc(Br)c2[O-])Nc2ccc(Br)cc21 ZINC001321784050 1056395723 /nfs/dbraw/zinc/39/57/23/1056395723.db2.gz TWKVZBIAFOWPAD-ZDUSSCGKSA-N -1 1 398.054 3.771 20 10 GHCDMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000849307238 1067793533 /nfs/dbraw/zinc/79/35/33/1067793533.db2.gz MOQNNFPVENPCIP-MRXNPFEDSA-N -1 1 390.505 3.501 20 10 GHCDMM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765750174 1068121075 /nfs/dbraw/zinc/12/10/75/1068121075.db2.gz ABCJMOVECVBQLL-LUAWRHEFSA-N -1 1 391.221 3.783 20 10 GHCDMM Cc1c(NCc2cc(Br)cc(Br)c2[O-])cnn1C ZINC001474088742 1074259637 /nfs/dbraw/zinc/25/96/37/1074259637.db2.gz QCRJPEIXZGPFJZ-UHFFFAOYSA-N -1 1 375.064 3.571 20 10 GHCDMM COc1cc2c(cc1NCc1cc(Br)cc(F)c1[O-])NC(=O)CC2 ZINC001474106131 1074265564 /nfs/dbraw/zinc/26/55/64/1074265564.db2.gz JAJCJPBFEZRXHM-UHFFFAOYSA-N -1 1 395.228 3.799 20 10 GHCDMM COc1c([O-])c(CN2CCCC[C@@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC001474378576 1074374492 /nfs/dbraw/zinc/37/44/92/1074374492.db2.gz ASRWGHRJIPGPOG-CQSZACIVSA-N -1 1 376.413 3.543 20 10 GHCDMM COC(=O)[C@@H]1Cc2ccccc2N(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001474723723 1074534026 /nfs/dbraw/zinc/53/40/26/1074534026.db2.gz HBBYUFLOSZMKHO-CYBMUJFWSA-N -1 1 394.240 3.646 20 10 GHCDMM Cc1ccc2c(C[N@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])cc(=O)oc2c1 ZINC000738663763 600142746 /nfs/dbraw/zinc/14/27/46/600142746.db2.gz CRONQLIFNJYWFZ-UHFFFAOYSA-N -1 1 387.819 3.547 20 10 GHCDMM Cc1ccc2c(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])cc(=O)oc2c1 ZINC000738663763 600142747 /nfs/dbraw/zinc/14/27/47/600142747.db2.gz CRONQLIFNJYWFZ-UHFFFAOYSA-N -1 1 387.819 3.547 20 10 GHCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000833420618 604863965 /nfs/dbraw/zinc/86/39/65/604863965.db2.gz WQRXNNFYYYDUJU-MRXNPFEDSA-N -1 1 397.471 3.652 20 10 GHCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000833420618 604863968 /nfs/dbraw/zinc/86/39/68/604863968.db2.gz WQRXNNFYYYDUJU-MRXNPFEDSA-N -1 1 397.471 3.652 20 10 GHCDMM C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000820570779 606393581 /nfs/dbraw/zinc/39/35/81/606393581.db2.gz RDQNGZMNVSDINH-GMROUXNLSA-N -1 1 399.526 3.891 20 10 GHCDMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)cc1 ZINC000821486255 606393934 /nfs/dbraw/zinc/39/39/34/606393934.db2.gz AUKSFUINSGWDNC-ZROIWOOFSA-N -1 1 399.526 3.896 20 10 GHCDMM [O-]c1c(Br)cccc1CNc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826510756 609200231 /nfs/dbraw/zinc/20/02/31/609200231.db2.gz IZWUWUPCTUOPET-UHFFFAOYSA-N -1 1 380.633 3.600 20 10 GHCDMM CC(C)Cn1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1-c1ccccc1 ZINC000784970327 837684332 /nfs/dbraw/zinc/68/43/32/837684332.db2.gz WQWRJZJTMNGELM-UHFFFAOYSA-N -1 1 394.427 3.657 20 10 GHCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1Br ZINC000784931480 834991025 /nfs/dbraw/zinc/99/10/25/834991025.db2.gz POIIFZRHTWONGE-UHFFFAOYSA-N -1 1 379.206 3.517 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000765928201 856409675 /nfs/dbraw/zinc/40/96/75/856409675.db2.gz WEHBHWKROJGZFA-UHFFFAOYSA-N -1 1 399.244 3.563 20 10 GHCDMM O=C(CCCOCCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765764048 856962336 /nfs/dbraw/zinc/96/23/36/856962336.db2.gz GHWOJRQRLLQKBF-UHFFFAOYSA-N -1 1 392.293 3.810 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])c1ncoc1-c1ccc(F)cc1 ZINC000765771239 857706298 /nfs/dbraw/zinc/70/62/98/857706298.db2.gz WRAJYJDMPNWEBT-UHFFFAOYSA-N -1 1 391.196 3.879 20 10 GHCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1-c1ccccc1 ZINC000765770944 857713115 /nfs/dbraw/zinc/71/31/15/857713115.db2.gz TUKAVQJOZKQLMW-UHFFFAOYSA-N -1 1 386.249 3.579 20 10 GHCDMM O=C(CNc1c(Br)cc(F)c(F)c1F)c1ccc([O-])c(O)c1 ZINC001170323340 881359319 /nfs/dbraw/zinc/35/93/19/881359319.db2.gz XTAXDLUDJGMVDW-UHFFFAOYSA-N -1 1 376.128 3.572 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCOc2ccc(F)cc21 ZINC000764806403 859617011 /nfs/dbraw/zinc/61/70/11/859617011.db2.gz PVUSUJCPBCSCKD-CQSZACIVSA-N -1 1 395.228 3.617 20 10 GHCDMM COCCc1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765390864 859952421 /nfs/dbraw/zinc/95/24/21/859952421.db2.gz RSIQVSAAFTXIMP-UHFFFAOYSA-N -1 1 379.254 3.665 20 10 GHCDMM CC[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])CC(F)(F)F ZINC000840429746 860450172 /nfs/dbraw/zinc/45/01/72/860450172.db2.gz LJTVSXKLLGAUQM-SECBINFHSA-N -1 1 383.208 3.933 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCc2c(O)cccc21 ZINC000765730413 860492301 /nfs/dbraw/zinc/49/23/01/860492301.db2.gz AXBPQULLNLPPRL-AWEZNQCLSA-N -1 1 376.250 3.597 20 10 GHCDMM CCOC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765730542 860492372 /nfs/dbraw/zinc/49/23/72/860492372.db2.gz CVTMBOANISRLND-UHFFFAOYSA-N -1 1 393.237 3.653 20 10 GHCDMM O=C(CCCOc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000765735651 860539063 /nfs/dbraw/zinc/53/90/63/860539063.db2.gz IFYZHAGWQNSBEN-UHFFFAOYSA-N -1 1 382.229 3.769 20 10 GHCDMM Cc1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])sc1Cl ZINC000766199522 863850041 /nfs/dbraw/zinc/85/00/41/863850041.db2.gz DTUGAAFSLUTBRH-UHFFFAOYSA-N -1 1 396.715 3.657 20 10 GHCDMM O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)c1ccc(O)c([O-])c1Cl ZINC001193220336 870951776 /nfs/dbraw/zinc/95/17/76/870951776.db2.gz SJRNQMMBIUQVIE-UHFFFAOYSA-N -1 1 380.791 3.713 20 10 GHCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000182403489 872309399 /nfs/dbraw/zinc/30/93/99/872309399.db2.gz OAHDQPAJBDFAMT-UHFFFAOYSA-N -1 1 382.413 3.981 20 10 GHCDMM CC(=O)c1cc(F)cc(C[NH+]2CCC(Cc3ccccc3C(=O)[O-])CC2)c1[O-] ZINC000851707206 877871614 /nfs/dbraw/zinc/87/16/14/877871614.db2.gz WIOHWWMLWFYTBU-UHFFFAOYSA-N -1 1 385.435 3.887 20 10 GHCDMM CCOc1cc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])ccc1OC(F)F ZINC000789954204 879362524 /nfs/dbraw/zinc/36/25/24/879362524.db2.gz ZEEJJONXMPCABL-UHFFFAOYSA-N -1 1 385.338 3.509 20 10 GHCDMM C[C@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])[C@H]1CO ZINC001203565212 912465687 /nfs/dbraw/zinc/46/56/87/912465687.db2.gz WMERWMXRGZTOJX-ZANVPECISA-N -1 1 393.119 3.510 20 10 GHCDMM COc1ccc2c(c1)CC[C@H]2C(=O)NCc1cccc(Br)c1[O-] ZINC000861332757 885404090 /nfs/dbraw/zinc/40/40/90/885404090.db2.gz UYXNRTAZILHIJF-OAHLLOKOSA-N -1 1 376.250 3.510 20 10 GHCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC(C)(C)CC(C)(C)C)cc12 ZINC001184361919 913147245 /nfs/dbraw/zinc/14/72/45/913147245.db2.gz LTSQMXMRNQLYKF-UHFFFAOYSA-N -1 1 388.508 3.570 20 10 GHCDMM C[C@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794842880 888419669 /nfs/dbraw/zinc/41/96/69/888419669.db2.gz SZXSXWJIYZXDHM-HZMBPMFUSA-N -1 1 386.326 3.583 20 10 GHCDMM CC[C@H](NCc1nnc(C2CCOCC2)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866440739 888878653 /nfs/dbraw/zinc/87/86/53/888878653.db2.gz HQWXJXZIMSXDOC-ZDUSSCGKSA-N -1 1 385.295 3.952 20 10 GHCDMM CC[C@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000866628725 888981552 /nfs/dbraw/zinc/98/15/52/888981552.db2.gz MWHZJHZBUBACRG-ZDUSSCGKSA-N -1 1 384.263 3.508 20 10 GHCDMM O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc([O-])c(O)c1 ZINC000916591499 889154104 /nfs/dbraw/zinc/15/41/04/889154104.db2.gz QCLMZAXXYSBIRO-UHFFFAOYSA-N -1 1 378.380 3.717 20 10 GHCDMM O=C([O-])/C=C\c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000813308386 891501800 /nfs/dbraw/zinc/50/18/00/891501800.db2.gz QLBOEHNQLDBVAG-UITAMQMPSA-N -1 1 399.422 3.544 20 10 GHCDMM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883077752 897257304 /nfs/dbraw/zinc/25/73/04/897257304.db2.gz VAKWYCMSDLMQIK-GFCCVEGCSA-N -1 1 384.448 3.500 20 10 GHCDMM [O-]c1c(F)cc(Br)cc1CNc1cc(CSCCO)ccn1 ZINC000883079678 897258203 /nfs/dbraw/zinc/25/82/03/897258203.db2.gz ZVOBEEYQOLUIBI-UHFFFAOYSA-N -1 1 387.274 3.526 20 10 GHCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(F)ccc([O-])c1F ZINC000289750134 914328112 /nfs/dbraw/zinc/32/81/12/914328112.db2.gz QPAVNFDPUJPPDN-NSHDSACASA-N -1 1 398.356 3.671 20 10 GHCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000123908012 901996947 /nfs/dbraw/zinc/99/69/47/901996947.db2.gz LKYUIPMDZVEHMJ-UHFFFAOYSA-N -1 1 394.880 3.773 20 10 GHCDMM CCOC(=O)[C@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccccc1 ZINC001176262125 908029940 /nfs/dbraw/zinc/02/99/40/908029940.db2.gz HBFSPRQTKRFRCR-HXUWFJFHSA-N -1 1 375.852 3.816 20 10 GHCDMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1cccc(Cl)c1 ZINC000015187978 919364876 /nfs/dbraw/zinc/36/48/76/919364876.db2.gz GQSFBACTRRRFEI-SDQBBNPISA-N -1 1 395.918 3.970 20 10 GHCDMM C[C@H](NCc1cc(Br)cc(Br)c1[O-])c1nccn1C ZINC000827722554 925937404 /nfs/dbraw/zinc/93/74/04/925937404.db2.gz MTNTUWYLQDJFPB-QMMMGPOBSA-N -1 1 389.091 3.502 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750056860 927409618 /nfs/dbraw/zinc/40/96/18/927409618.db2.gz KVMDYBIWLBVNKF-OAHLLOKOSA-N -1 1 382.888 3.689 20 10 GHCDMM Cc1cc(Br)c([O-])c(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000781901057 931018512 /nfs/dbraw/zinc/01/85/12/931018512.db2.gz LIZOAFALYFHFFC-QGZVFWFLSA-N -1 1 389.293 3.526 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000782291334 931161267 /nfs/dbraw/zinc/16/12/67/931161267.db2.gz RCXNSSSULCJERG-GOSISDBHSA-N -1 1 388.467 3.788 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000782291334 931161273 /nfs/dbraw/zinc/16/12/73/931161273.db2.gz RCXNSSSULCJERG-GOSISDBHSA-N -1 1 388.467 3.788 20 10 GHCDMM Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782534295 931260624 /nfs/dbraw/zinc/26/06/24/931260624.db2.gz OLKMSSSJQCLUDM-UHFFFAOYSA-N -1 1 375.427 3.631 20 10 GHCDMM O=C(COC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccc([O-])c(O)c1 ZINC000783304160 931516006 /nfs/dbraw/zinc/51/60/06/931516006.db2.gz DWSHSSQSNJRXAD-UHFFFAOYSA-N -1 1 389.816 3.914 20 10 GHCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000777550682 931717219 /nfs/dbraw/zinc/71/72/19/931717219.db2.gz GPPOKMNDKVESBA-SFHVURJKSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000777550682 931717230 /nfs/dbraw/zinc/71/72/30/931717230.db2.gz GPPOKMNDKVESBA-SFHVURJKSA-N -1 1 381.472 3.720 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000777550682 931717234 /nfs/dbraw/zinc/71/72/34/931717234.db2.gz GPPOKMNDKVESBA-SFHVURJKSA-N -1 1 381.472 3.720 20 10 GHCDMM CC[C@@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cc(Br)ccc1[O-] ZINC001595305533 980448235 /nfs/dbraw/zinc/44/82/35/980448235.db2.gz RAIUTDGAZXUEHO-MRXNPFEDSA-N -1 1 394.265 3.859 20 10 GHCDMM C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c31)C2 ZINC001227507495 1032445851 /nfs/dbraw/zinc/44/58/51/1032445851.db2.gz XQFDPTPDTXDXCO-ZSHCYNCHSA-N -1 1 393.439 3.875 20 10 GHCDMM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234766 1032465184 /nfs/dbraw/zinc/46/51/84/1032465184.db2.gz UUDRCQSAFSCETM-OCYQJKLISA-N -1 1 391.423 3.516 20 10 GHCDMM CC(=O)[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001228111430 1032788789 /nfs/dbraw/zinc/78/87/89/1032788789.db2.gz ULHPIDJIOUHAJX-NRFANRHFSA-N -1 1 378.380 3.744 20 10 GHCDMM C[C@@]1(CCNC(=O)NCc2cccc(Br)c2[O-])CC1(Cl)Cl ZINC000836623639 1023183638 /nfs/dbraw/zinc/18/36/38/1023183638.db2.gz LOJGNPRHBNQXSL-CYBMUJFWSA-N -1 1 396.112 3.928 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CC[C@@]2(CCCO2)C1 ZINC001203564529 1027436929 /nfs/dbraw/zinc/43/69/29/1027436929.db2.gz MBYKFFZXLOVYSQ-AWEZNQCLSA-N -1 1 391.103 3.672 20 10 GHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCCC2(COC2)C1 ZINC001203564743 1027437094 /nfs/dbraw/zinc/43/70/94/1027437094.db2.gz OZTDJCLYORFXJO-UHFFFAOYSA-N -1 1 391.103 3.530 20 10 GHCDMM CC(C)N(C)S(=O)(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001203610563 1027475620 /nfs/dbraw/zinc/47/56/20/1027475620.db2.gz FDNHNODMDAMHJF-UHFFFAOYSA-N -1 1 386.876 3.826 20 10 GHCDMM Cc1nc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)ccc1Br ZINC001216954351 1030026601 /nfs/dbraw/zinc/02/66/01/1030026601.db2.gz XBCQBIUIAYVOIC-UHFFFAOYSA-N -1 1 382.601 3.934 20 10 GHCDMM Cc1c(Br)cncc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216954131 1030026803 /nfs/dbraw/zinc/02/68/03/1030026803.db2.gz QLBFMXVNPJQTQK-UHFFFAOYSA-N -1 1 382.601 3.934 20 10 GHCDMM Cc1cnc(OC(C)C)c(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC001205518388 1033449348 /nfs/dbraw/zinc/44/93/48/1033449348.db2.gz VPAZEMOQDHLMEE-UHFFFAOYSA-N -1 1 394.269 3.967 20 10 GHCDMM C[C@H]1C[C@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H](C)C1 ZINC001229786600 1033713207 /nfs/dbraw/zinc/71/32/07/1033713207.db2.gz OQWZFRMIBZUTFI-PJXYFTJBSA-N -1 1 388.416 3.649 20 10 GHCDMM C[C@H]1Cc2cc(Br)ccc2CN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452826 1034596473 /nfs/dbraw/zinc/59/64/73/1034596473.db2.gz GONRUMKMOGZVSX-NSHDSACASA-N -1 1 376.250 3.800 20 10 GHCDMM CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001231565802 1034715237 /nfs/dbraw/zinc/71/52/37/1034715237.db2.gz CKLJXGROQNRZDF-UHFFFAOYSA-N -1 1 398.459 3.996 20 10 GHCDMM O=C([O-])c1ccc(O)c(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC001231564551 1034715376 /nfs/dbraw/zinc/71/53/76/1034715376.db2.gz UMFREZUBIPIJLQ-UHFFFAOYSA-N -1 1 395.286 3.715 20 10 GHCDMM CN(Cc1ccc2c(c1)OCCO2)Cc1c([O-])cc(Br)cc1F ZINC001233027061 1038778663 /nfs/dbraw/zinc/77/86/63/1038778663.db2.gz KVPKFXNACALITB-UHFFFAOYSA-N -1 1 382.229 3.697 20 10 GHCDMM Cc1cccnc1O[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033633 1038788501 /nfs/dbraw/zinc/78/85/01/1038788501.db2.gz QZKJNKZDOIDFDM-CYBMUJFWSA-N -1 1 381.245 3.651 20 10 GHCDMM Cc1cccnc1O[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033634 1038789361 /nfs/dbraw/zinc/78/93/61/1038789361.db2.gz QZKJNKZDOIDFDM-ZDUSSCGKSA-N -1 1 381.245 3.651 20 10 GHCDMM O=C(CCCN1CCN(Cc2c([O-])ccc(F)c2F)CC1)c1ccc(F)cc1 ZINC001233336703 1039138094 /nfs/dbraw/zinc/13/80/94/1039138094.db2.gz WGXFTAGIPPCAME-UHFFFAOYSA-N -1 1 392.421 3.590 20 10 GHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001233495047 1039388386 /nfs/dbraw/zinc/38/83/86/1039388386.db2.gz KPICYFJVRDVMJZ-CHWSQXEVSA-N -1 1 379.453 3.857 20 10 GHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCOc2ccc(Br)cc21 ZINC001234473412 1040056903 /nfs/dbraw/zinc/05/69/03/1040056903.db2.gz GNUUGOFKAXSNSJ-MRXNPFEDSA-N -1 1 379.206 3.966 20 10 GHCDMM Cc1cccc(C(=O)N2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)c1 ZINC001236797610 1041901678 /nfs/dbraw/zinc/90/16/78/1041901678.db2.gz YTNYOOTUDZYSKZ-UHFFFAOYSA-N -1 1 379.287 3.965 20 10 GHCDMM COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236805196 1041906696 /nfs/dbraw/zinc/90/66/96/1041906696.db2.gz WXMKHNLEWXVGMA-MSOLQXFVSA-N -1 1 396.270 3.814 20 10 GHCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2nn(CC3CC3)cc21 ZINC001237121315 1042049399 /nfs/dbraw/zinc/04/93/99/1042049399.db2.gz BPAMOKAMSFALBZ-CQSZACIVSA-N -1 1 393.890 3.927 20 10 GHCDMM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1c([O-])ccc(F)c1Cl ZINC001237126945 1042054251 /nfs/dbraw/zinc/05/42/51/1042054251.db2.gz QSOBSTWPBWSRFF-UHFFFAOYSA-N -1 1 381.831 3.759 20 10 GHCDMM COc1ccc(C(=O)NC2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)cc1 ZINC001237813024 1042381886 /nfs/dbraw/zinc/38/18/86/1042381886.db2.gz JWYVUHFDNGECGX-UHFFFAOYSA-N -1 1 392.858 3.588 20 10 GHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001237946299 1042434080 /nfs/dbraw/zinc/43/40/80/1042434080.db2.gz IJGRACUNESWABP-UHFFFAOYSA-N -1 1 389.780 3.921 20 10 GHCDMM O=S(=O)([N-]c1c(Cl)cccc1OC(F)(F)F)c1cccc2nonc21 ZINC001260441238 1045496352 /nfs/dbraw/zinc/49/63/52/1045496352.db2.gz WWMYTEUNTCEWRS-UHFFFAOYSA-N -1 1 393.730 3.576 20 10 GHCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(C(F)(F)F)cc1Br ZINC001260858622 1045719058 /nfs/dbraw/zinc/71/90/58/1045719058.db2.gz DWYJBASFHMMLFU-UHFFFAOYSA-N -1 1 396.184 3.974 20 10 GHCDMM O=S(=O)([N-]c1ccc(F)c(F)c1Cl)c1ccc(Cl)c2nonc21 ZINC001261073667 1045890192 /nfs/dbraw/zinc/89/01/92/1045890192.db2.gz QWHFMFVLFWNZML-UHFFFAOYSA-N -1 1 380.159 3.609 20 10 GHCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC001305083649 1047885668 /nfs/dbraw/zinc/88/56/68/1047885668.db2.gz ABSDOFSBRKIKSN-JSGCOSHPSA-N -1 1 382.888 3.601 20 10 GHCDMM O=C(c1c([O-])c(O)ccc1F)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC001306859102 1048930427 /nfs/dbraw/zinc/93/04/27/1048930427.db2.gz ZFQHBXVGVQRWPM-UHFFFAOYSA-N -1 1 377.415 3.873 20 10 GHCDMM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC001457035807 1062955934 /nfs/dbraw/zinc/95/59/34/1062955934.db2.gz KIDNFFVZIGPBSW-CQSZACIVSA-N -1 1 394.899 3.699 20 10 GHCDMM O=C(NCc1ccc(COc2cccc(F)c2)cc1)c1c(F)ccc(O)c1[O-] ZINC001457883027 1063413382 /nfs/dbraw/zinc/41/33/82/1063413382.db2.gz XIRFZIQVXIVEBZ-UHFFFAOYSA-N -1 1 385.366 3.885 20 10 GHCDMM CCOc1cccc(/C=C/C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001467764080 1067457542 /nfs/dbraw/zinc/45/75/42/1067457542.db2.gz OHOJJSAABMOFRL-MDZDMXLPSA-N -1 1 376.250 3.883 20 10 GHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000764765864 1068101397 /nfs/dbraw/zinc/10/13/97/1068101397.db2.gz VZDVZMZTCOQMAQ-SNVBAGLBSA-N -1 1 394.225 3.623 20 10 GHCDMM CSc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000765751298 1068120795 /nfs/dbraw/zinc/12/07/95/1068120795.db2.gz DZSMCQCVIRMWRH-UHFFFAOYSA-N -1 1 397.250 3.715 20 10 GHCDMM CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccn1 ZINC001472317191 1073418064 /nfs/dbraw/zinc/41/80/64/1073418064.db2.gz YZEYYHQNNSQFQN-UHFFFAOYSA-N -1 1 377.828 3.718 20 10 GHCDMM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1c(F)ccc(O)c1[O-] ZINC001472560981 1073551323 /nfs/dbraw/zinc/55/13/23/1073551323.db2.gz VULXSMGYVBOMHH-MRXNPFEDSA-N -1 1 379.815 3.788 20 10 GHCDMM COC(=O)c1ccc2c(c1)CN(Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000737703692 600078319 /nfs/dbraw/zinc/07/83/19/600078319.db2.gz ZSGDTPVIRRKKAN-UHFFFAOYSA-N -1 1 377.396 3.546 20 10 GHCDMM CC(C)(C)OC(=O)C1(C(=O)NCc2cccc(Cl)c2[O-])CCSCC1 ZINC000890763392 836746449 /nfs/dbraw/zinc/74/64/49/836746449.db2.gz UZASGZPDBHHLCY-UHFFFAOYSA-N -1 1 385.913 3.517 20 10 GHCDMM C[C@@H](c1ccccc1)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000910372969 851162551 /nfs/dbraw/zinc/16/25/51/851162551.db2.gz LWZXIGORXVWWHO-YHWKNFMLSA-N -1 1 381.432 3.576 20 10 GHCDMM COc1ccc(-c2cc(Cl)nc(NCC(=O)c3ccc([O-])c(O)c3)n2)cc1 ZINC001170316218 881345893 /nfs/dbraw/zinc/34/58/93/881345893.db2.gz CLXQUWRASKOGQE-UHFFFAOYSA-N -1 1 385.807 3.512 20 10 GHCDMM O=C(NCc1cccc(Br)c1[O-])NCC(F)(F)c1ccccc1 ZINC000764807413 859618832 /nfs/dbraw/zinc/61/88/32/859618832.db2.gz TZVAFSLQDFWIFA-UHFFFAOYSA-N -1 1 385.208 3.746 20 10 GHCDMM COc1cc(C)c(NC(=O)NCc2cccc(Br)c2[O-])cc1OC ZINC000765217758 859844009 /nfs/dbraw/zinc/84/40/09/859844009.db2.gz LBLFDPKHXCGFHK-UHFFFAOYSA-N -1 1 395.253 3.802 20 10 GHCDMM Cc1c(NC(=O)NCc2cccc(Br)c2[O-])cccc1N(C)C ZINC000765338669 859918176 /nfs/dbraw/zinc/91/81/76/859918176.db2.gz BUACZLNEGOPMNL-UHFFFAOYSA-N -1 1 378.270 3.851 20 10 GHCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000765476737 859987358 /nfs/dbraw/zinc/98/73/58/859987358.db2.gz RMNXHQALYKZNDR-NSHDSACASA-N -1 1 381.245 3.897 20 10 GHCDMM CC(C)Oc1ccc(NCc2cccc(Br)c2[O-])cc1C(N)=O ZINC000793381203 882157032 /nfs/dbraw/zinc/15/70/32/882157032.db2.gz NMUCBKYRPCSTFV-UHFFFAOYSA-N -1 1 379.254 3.653 20 10 GHCDMM CCOc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cnc1Br ZINC001193209879 870946050 /nfs/dbraw/zinc/94/60/50/870946050.db2.gz OVDDTLYGJGPDOL-UHFFFAOYSA-N -1 1 387.617 3.560 20 10 GHCDMM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232212 870963019 /nfs/dbraw/zinc/96/30/19/870963019.db2.gz FUCMDBWRWIOQNC-YUTCNCBUSA-N -1 1 395.883 3.866 20 10 GHCDMM O=C1OCCN1c1cccc2c1CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000775726611 873233186 /nfs/dbraw/zinc/23/31/86/873233186.db2.gz XKDVRDXJQDYSQB-UHFFFAOYSA-N -1 1 376.815 3.700 20 10 GHCDMM Cc1cc(-c2ccccc2)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769694945 874236834 /nfs/dbraw/zinc/23/68/34/874236834.db2.gz LMQAFWMUCLFOFT-UHFFFAOYSA-N -1 1 396.468 3.991 20 10 GHCDMM CC(C)c1cccc(NC(=S)NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)c1 ZINC000769790669 874292480 /nfs/dbraw/zinc/29/24/80/874292480.db2.gz FCINZOBDCMKRDW-UHFFFAOYSA-N -1 1 399.524 3.724 20 10 GHCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001142512613 884366614 /nfs/dbraw/zinc/36/66/14/884366614.db2.gz GIRBMZISKOMVJB-HRAATJIYSA-N -1 1 390.430 3.516 20 10 GHCDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc(C(=O)[O-])c1Cl ZINC000808113495 886024205 /nfs/dbraw/zinc/02/42/05/886024205.db2.gz AZVWUCVQTWOAOF-UHFFFAOYSA-N -1 1 394.207 3.646 20 10 GHCDMM Cc1cc(=O)[nH]c2cc(C(=O)NCc3cccc(Br)c3[O-])ccc12 ZINC000809797831 887808229 /nfs/dbraw/zinc/80/82/29/887808229.db2.gz DGSJXJBKQIZNMS-UHFFFAOYSA-N -1 1 387.233 3.647 20 10 GHCDMM Cc1cc(C)c2c(N)c(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)sc2n1 ZINC000916525630 889084060 /nfs/dbraw/zinc/08/40/60/889084060.db2.gz MREZCSUBJOVSKL-UHFFFAOYSA-N -1 1 396.424 3.664 20 10 GHCDMM O=C(COC(=O)c1ccc(COc2ccccc2)cc1)c1ccc([O-])c(O)c1 ZINC000916607844 889177037 /nfs/dbraw/zinc/17/70/37/889177037.db2.gz WXCAJIVLFLSCBK-UHFFFAOYSA-N -1 1 378.380 3.717 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000811793811 890008138 /nfs/dbraw/zinc/00/81/38/890008138.db2.gz XMZQJWJEZZTJSY-NFBKMPQASA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000811793811 890008153 /nfs/dbraw/zinc/00/81/53/890008153.db2.gz XMZQJWJEZZTJSY-NFBKMPQASA-N -1 1 393.483 3.862 20 10 GHCDMM O=C(CN1CCCCCC1)Nc1cccc(NCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000126123961 893305465 /nfs/dbraw/zinc/30/54/65/893305465.db2.gz SKBZKVRFPHRWAV-UHFFFAOYSA-N -1 1 398.463 3.727 20 10 GHCDMM COc1cc(NCc2cc(Br)cc(F)c2[O-])cc(OC)c1OC ZINC000882906603 897088813 /nfs/dbraw/zinc/08/88/13/897088813.db2.gz NYPAHRQJWLFEJM-UHFFFAOYSA-N -1 1 386.217 3.932 20 10 GHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C[C@H](O)c2ccccc2)c1[O-] ZINC000157705100 900760630 /nfs/dbraw/zinc/76/06/30/900760630.db2.gz CDORFMMFTBBSLA-QUCCMNQESA-N -1 1 389.879 3.573 20 10 GHCDMM COC(=O)c1ccc(C2CN(Cc3cc(Br)c(F)cc3[O-])C2)cc1 ZINC001144307931 901699334 /nfs/dbraw/zinc/69/93/34/901699334.db2.gz LZZAPUSSFBJGRG-UHFFFAOYSA-N -1 1 394.240 3.680 20 10 GHCDMM COc1c([O-])c(CN(C)Cc2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000775115914 915209850 /nfs/dbraw/zinc/20/98/50/915209850.db2.gz OPCGBLYPHKDBIK-UHFFFAOYSA-N -1 1 399.216 3.843 20 10 GHCDMM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(C)c(C)c1O 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O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000832856281 1026040121 /nfs/dbraw/zinc/04/01/21/1026040121.db2.gz QDJXLBGAHVJXPZ-LBPRGKRZSA-N -1 1 394.240 3.704 20 10 GHCDMM Cc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])cc(NC(=O)OC(C)(C)C)c1 ZINC000839786408 1026266666 /nfs/dbraw/zinc/26/66/66/1026266666.db2.gz OZODKBXKGZCRLH-UHFFFAOYSA-N -1 1 390.411 3.822 20 10 GHCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000840915387 1027952278 /nfs/dbraw/zinc/95/22/78/1027952278.db2.gz PYSUORZQMDDODR-UHFFFAOYSA-N -1 1 375.368 3.667 20 10 GHCDMM O=C1N(CCC(F)(F)F)CC[C@]12CCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388619 1033488908 /nfs/dbraw/zinc/48/89/08/1033488908.db2.gz XRPGGMUVIXQRGE-MRXNPFEDSA-N -1 1 394.796 3.704 20 10 GHCDMM O=C1N(CCC(F)(F)F)CC[C@]12CCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277509122 1034537070 /nfs/dbraw/zinc/53/70/70/1034537070.db2.gz AVTKDKHVRSFNEL-MRXNPFEDSA-N -1 1 394.796 3.704 20 10 GHCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001231911655 1034987081 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398.365 3.558 20 10 GHCDMM O=C1OCCN1c1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001308220219 1049917486 /nfs/dbraw/zinc/91/74/86/1049917486.db2.gz LWXOFXKAGAVIOE-UHFFFAOYSA-N -1 1 381.201 3.863 20 10 GHCDMM O=C(CCCCNC(=O)OCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001342692067 1053302149 /nfs/dbraw/zinc/30/21/49/1053302149.db2.gz OSPCZTUALJBWDY-UHFFFAOYSA-N -1 1 390.867 3.759 20 10 GHCDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC001317896156 1054295942 /nfs/dbraw/zinc/29/59/42/1054295942.db2.gz SGVNBMVDGDSQOD-UHFFFAOYSA-N -1 1 388.533 3.930 20 10 GHCDMM CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1F ZINC001326759439 1057550901 /nfs/dbraw/zinc/55/09/01/1057550901.db2.gz ROIUWRMYPIDRAT-UHFFFAOYSA-N -1 1 393.223 3.597 20 10 GHCDMM O=C(NCCc1ccccc1OCc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC001457977369 1063477504 /nfs/dbraw/zinc/47/75/04/1063477504.db2.gz YUWQJPBALQBVJF-UHFFFAOYSA-N -1 1 381.403 3.788 20 10 GHCDMM COc1cc(C)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1C(C)C ZINC001464787253 1065211088 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XZVKYUJKPCYNIC-OAHLLOKOSA-N -1 1 390.233 3.686 20 10 GHCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](c3ccccc3F)C2)c1O ZINC000740095641 600125447 /nfs/dbraw/zinc/12/54/47/600125447.db2.gz CYWSSIQIAQXFFV-HXUWFJFHSA-N -1 1 381.403 3.956 20 10 GHCDMM CC(C)c1nc2c(n1C)CCN(Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000736524058 600426535 /nfs/dbraw/zinc/42/65/35/600426535.db2.gz GZXSOPHFBYRLIE-UHFFFAOYSA-N -1 1 379.460 3.659 20 10 GHCDMM