smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000279327148 563292593 /nfs/dbraw/zinc/29/25/93/563292593.db2.gz CSAOSCZQSRQHDY-CYBMUJFWSA-N 0 1 379.309 2.699 20 10 GFCDMN O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000279327148 563292596 /nfs/dbraw/zinc/29/25/96/563292596.db2.gz CSAOSCZQSRQHDY-CYBMUJFWSA-N 0 1 379.309 2.699 20 10 GFCDMN CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000377094083 563463459 /nfs/dbraw/zinc/46/34/59/563463459.db2.gz SXTSSTHDQXCKQQ-CYBMUJFWSA-N 0 1 389.279 2.589 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1COCCN1CC(F)(F)F ZINC000377100831 563463693 /nfs/dbraw/zinc/46/36/93/563463693.db2.gz QWBXCJKJZKGXHE-NSHDSACASA-N 0 1 387.185 2.578 20 10 GFCDMN Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)n1 ZINC000738368588 600427034 /nfs/dbraw/zinc/42/70/34/600427034.db2.gz ICXKOAHTXYRLEM-KRWDZBQOSA-N 0 1 395.459 2.958 20 10 GFCDMN CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000828708010 601856810 /nfs/dbraw/zinc/85/68/10/601856810.db2.gz JVPZZKIIHRVRRW-OXJNMPFZSA-N 0 1 375.513 2.724 20 10 GFCDMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000828708010 601856811 /nfs/dbraw/zinc/85/68/11/601856811.db2.gz JVPZZKIIHRVRRW-OXJNMPFZSA-N 0 1 375.513 2.724 20 10 GFCDMN COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1 ZINC000822949625 660358785 /nfs/dbraw/zinc/35/87/85/660358785.db2.gz NWDZXSHNTFUULB-WCQYABFASA-N 0 1 376.236 2.816 20 10 GFCDMN COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000822949566 660358804 /nfs/dbraw/zinc/35/88/04/660358804.db2.gz LQQUJPVZYDTBDX-CMPLNLGQSA-N 0 1 376.236 2.674 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926091 660405318 /nfs/dbraw/zinc/40/53/18/660405318.db2.gz BJPZRCDLRALJKA-CJNGLKHVSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926091 660405321 /nfs/dbraw/zinc/40/53/21/660405321.db2.gz BJPZRCDLRALJKA-CJNGLKHVSA-N 0 1 380.286 2.834 20 10 GFCDMN O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1[O-])CCc1ccccc1 ZINC000825779380 660441605 /nfs/dbraw/zinc/44/16/05/660441605.db2.gz KCUNKWSIFRZFHR-UHFFFAOYSA-N 0 1 398.322 2.902 20 10 GFCDMN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000834876991 660836615 /nfs/dbraw/zinc/83/66/15/660836615.db2.gz BZIQIDNXYNTOMY-DGCLKSJQSA-N 0 1 379.320 2.523 20 10 GFCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000028257052 654571765 /nfs/dbraw/zinc/57/17/65/654571765.db2.gz CNQPXUYDMSWAIA-UHFFFAOYSA-N 0 1 396.824 2.791 20 10 GFCDMN CC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000192564769 655405812 /nfs/dbraw/zinc/40/58/12/655405812.db2.gz HQXKOICKTBJFPL-CQSZACIVSA-N 0 1 391.331 2.619 20 10 GFCDMN OCCN(Cc1cc(Br)cs1)Cc1cc2c(cc1O)OCO2 ZINC000756117916 655895243 /nfs/dbraw/zinc/89/52/43/655895243.db2.gz CCDQOCQHDIYOGJ-UHFFFAOYSA-N 0 1 386.267 2.939 20 10 GFCDMN CCOC(=O)C1(COC)CCN(Cc2cc(Br)ccc2O)CC1 ZINC000793365569 658390982 /nfs/dbraw/zinc/39/09/82/658390982.db2.gz IBBDTMPXLSHNIP-UHFFFAOYSA-N 0 1 386.286 2.946 20 10 GFCDMN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000798964796 659158783 /nfs/dbraw/zinc/15/87/83/659158783.db2.gz UUJAQSCOFKDRAH-KRWDZBQOSA-N 0 1 386.286 2.946 20 10 GFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1OC ZINC000799123545 659166552 /nfs/dbraw/zinc/16/65/52/659166552.db2.gz AOLWOPVODQHIBG-UHFFFAOYSA-N 0 1 383.447 2.710 20 10 GFCDMN COC(=O)N1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805050409 659727202 /nfs/dbraw/zinc/72/72/02/659727202.db2.gz IORGRDQDUCVTGQ-LLVKDONJSA-N 0 1 376.240 2.729 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000807512714 659857495 /nfs/dbraw/zinc/85/74/95/659857495.db2.gz FYADWOMJPDTEGO-UHFFFAOYSA-N 0 1 381.215 2.889 20 10 GFCDMN COc1ccccc1C(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839053 659866936 /nfs/dbraw/zinc/86/69/36/659866936.db2.gz GSVPRGDSWKOINV-UHFFFAOYSA-N 0 1 383.231 2.754 20 10 GFCDMN O=C(Cn1c(=O)cnc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000807838545 659866945 /nfs/dbraw/zinc/86/69/45/659866945.db2.gz WQLZPQQNJXTLDV-UHFFFAOYSA-N 0 1 378.215 2.725 20 10 GFCDMN CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227910 659967086 /nfs/dbraw/zinc/96/70/86/659967086.db2.gz MTELMEVKTFHXCU-OCCSQVGLSA-N 0 1 380.432 2.876 20 10 GFCDMN COc1ccc(N2CC[C@H](NCc3c(Br)c(C)nn3C)C2)cc1 ZINC000850347326 661770721 /nfs/dbraw/zinc/77/07/21/661770721.db2.gz QGQIKENBFYNGSP-ZDUSSCGKSA-N 0 1 379.302 2.868 20 10 GFCDMN Cc1cc(C(=O)N(C)CC2CN(C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000855637605 662002293 /nfs/dbraw/zinc/00/22/93/662002293.db2.gz FXGHNRGSVNMGOP-UHFFFAOYSA-N 0 1 391.313 2.885 20 10 GFCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000858092885 662098393 /nfs/dbraw/zinc/09/83/93/662098393.db2.gz MATNYUSPHRWDRS-UHFFFAOYSA-N 0 1 378.270 2.676 20 10 GFCDMN CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Br)ccc1[O-] ZINC000866572233 662480997 /nfs/dbraw/zinc/48/09/97/662480997.db2.gz MJZBBOROXSBJQO-GFCCVEGCSA-N 0 1 379.320 2.510 20 10 GFCDMN Cc1cc(CN2CCN(Cc3cc(Br)cc(F)c3O)CC2)on1 ZINC000893915477 663431577 /nfs/dbraw/zinc/43/15/77/663431577.db2.gz VSHNBNRTXXWFMQ-UHFFFAOYSA-N 0 1 384.249 2.908 20 10 GFCDMN CCN(Cc1cc(Br)cc(F)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000894027880 663438304 /nfs/dbraw/zinc/43/83/04/663438304.db2.gz TYROAASRHIZGNK-JTQLQIEISA-N 0 1 382.295 2.939 20 10 GFCDMN CC[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000894027880 663438307 /nfs/dbraw/zinc/43/83/07/663438307.db2.gz TYROAASRHIZGNK-JTQLQIEISA-N 0 1 382.295 2.939 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000894027880 663438308 /nfs/dbraw/zinc/43/83/08/663438308.db2.gz TYROAASRHIZGNK-JTQLQIEISA-N 0 1 382.295 2.939 20 10 GFCDMN CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(Br)cc(F)c1O ZINC000894904485 663487618 /nfs/dbraw/zinc/48/76/18/663487618.db2.gz IQXURJYBJREWIL-LBPRGKRZSA-N 0 1 380.279 2.693 20 10 GFCDMN O=S1(=O)CCN(Cc2cc(Br)cc(F)c2O)CCC12CCC2 ZINC000894999140 663494291 /nfs/dbraw/zinc/49/42/91/663494291.db2.gz RQFXCPFUOAMCSB-UHFFFAOYSA-N 0 1 392.290 2.837 20 10 GFCDMN COC(=O)[C@H](NCc1cc(Cl)cc(Br)c1O)c1ccnn1C ZINC000895084228 663498770 /nfs/dbraw/zinc/49/87/70/663498770.db2.gz IBNLSMHVCXVFGV-GFCCVEGCSA-N 0 1 388.649 2.546 20 10 GFCDMN Cc1cc(C(=O)NC2CCN(Cc3cc(Br)ccc3O)CC2)no1 ZINC000371411130 563277073 /nfs/dbraw/zinc/27/70/73/563277073.db2.gz LTCUNJYTPITEAF-UHFFFAOYSA-N 0 1 394.269 2.846 20 10 GFCDMN COc1cc(Br)cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000375690041 563414837 /nfs/dbraw/zinc/41/48/37/563414837.db2.gz GEXDQCCDCMMQKX-MRXNPFEDSA-N 0 1 396.285 2.832 20 10 GFCDMN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000292789982 563796058 /nfs/dbraw/zinc/79/60/58/563796058.db2.gz MFFAUKSQLVQCBG-WBVHZDCISA-N 0 1 398.297 2.945 20 10 GFCDMN CCC1=S=C(C(=O)Nc2nc(-c3ccncc3)n[nH]2)C=C1Br ZINC000555582573 564798717 /nfs/dbraw/zinc/79/87/17/564798717.db2.gz BHIPFEKJQNXCOS-UHFFFAOYSA-N 0 1 378.255 2.586 20 10 GFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000822210786 599304005 /nfs/dbraw/zinc/30/40/05/599304005.db2.gz QXITYEGNTRQLJH-UHFFFAOYSA-N 0 1 399.354 2.700 20 10 GFCDMN CN(CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)[O-] ZINC000830759323 604746667 /nfs/dbraw/zinc/74/66/67/604746667.db2.gz SUBMCFZGXLNKQG-HNNXBMFYSA-N 0 1 383.876 2.516 20 10 GFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511567 608585366 /nfs/dbraw/zinc/58/53/66/608585366.db2.gz VQBWXHVMQLPZDY-UHFFFAOYSA-N 0 1 384.871 2.938 20 10 GFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511567 608585367 /nfs/dbraw/zinc/58/53/67/608585367.db2.gz VQBWXHVMQLPZDY-UHFFFAOYSA-N 0 1 384.871 2.938 20 10 GFCDMN O=S(=O)(CCNCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000818964277 660239023 /nfs/dbraw/zinc/23/90/23/660239023.db2.gz PXDWFLZQRPOOLI-UHFFFAOYSA-N 0 1 376.547 2.803 20 10 GFCDMN Cc1cc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1Cl ZINC000825357493 660422584 /nfs/dbraw/zinc/42/25/84/660422584.db2.gz FZCDUUIOVDKHRD-UHFFFAOYSA-N 0 1 386.823 2.758 20 10 GFCDMN CS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCCC1 ZINC000827236743 660485711 /nfs/dbraw/zinc/48/57/11/660485711.db2.gz FCBJYYZDIVJGET-UHFFFAOYSA-N 0 1 376.316 2.992 20 10 GFCDMN Cn1cc(-c2csc(NS(=O)(=O)c3ccc(OC4CC4)cc3)n2)cn1 ZINC000829687404 660607209 /nfs/dbraw/zinc/60/72/09/660607209.db2.gz IIIJOFWZYAISEG-UHFFFAOYSA-N 0 1 376.463 2.886 20 10 GFCDMN O=C(COC(=O)C1=CC(=O)CS1)C1(NC(=O)C(F)(F)F)CCCCC1 ZINC000837515474 661002730 /nfs/dbraw/zinc/00/27/30/661002730.db2.gz UKWHBGUXHDRLNA-UHFFFAOYSA-N 0 1 379.356 2.561 20 10 GFCDMN CCN1CCN(c2ccc(CNS(=O)(=O)c3cccs3)cc2F)CC1 ZINC000106896019 655113840 /nfs/dbraw/zinc/11/38/40/655113840.db2.gz VBOVNWGKHFGUFU-UHFFFAOYSA-N 0 1 383.514 2.508 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000277428465 655318948 /nfs/dbraw/zinc/31/89/48/655318948.db2.gz LSXLRWVBVBGBMW-UHFFFAOYSA-N 0 1 382.302 2.828 20 10 GFCDMN CCCNC(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179918328 655319334 /nfs/dbraw/zinc/31/93/34/655319334.db2.gz NOIGERWYLOCYPP-UHFFFAOYSA-N 0 1 385.302 2.902 20 10 GFCDMN COc1ccsc1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769967431 656302371 /nfs/dbraw/zinc/30/23/71/656302371.db2.gz KCVUCMORPKRFLL-AWEZNQCLSA-N 0 1 380.535 2.842 20 10 GFCDMN CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775521537 656646958 /nfs/dbraw/zinc/64/69/58/656646958.db2.gz YIPDMKRQDWIHHP-GOEBONIOSA-N 0 1 390.933 2.575 20 10 GFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)c1[O-] ZINC000782979075 657198535 /nfs/dbraw/zinc/19/85/35/657198535.db2.gz KTQATAWLKDSKNR-JTQLQIEISA-N 0 1 382.869 2.746 20 10 GFCDMN C[C@H](NCc1cc(Br)nn1C)c1ccc(N2CCOCC2)cc1 ZINC000785438007 657364813 /nfs/dbraw/zinc/36/48/13/657364813.db2.gz APCSNXWSSAHUKY-ZDUSSCGKSA-N 0 1 379.302 2.870 20 10 GFCDMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2C)c1OC ZINC000790067754 657924051 /nfs/dbraw/zinc/92/40/51/657924051.db2.gz CBEGLRIKJFGGFB-UHFFFAOYSA-N 0 1 385.825 2.950 20 10 GFCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000799123625 659166460 /nfs/dbraw/zinc/16/64/60/659166460.db2.gz DFYSVNNGLOMMBM-UHFFFAOYSA-N 0 1 384.841 2.733 20 10 GFCDMN O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000802658683 659492713 /nfs/dbraw/zinc/49/27/13/659492713.db2.gz MOTAWMVBTRKPMW-UHFFFAOYSA-N 0 1 379.309 2.699 20 10 GFCDMN O=S(=O)(C1CC1)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000802658683 659492718 /nfs/dbraw/zinc/49/27/18/659492718.db2.gz MOTAWMVBTRKPMW-UHFFFAOYSA-N 0 1 379.309 2.699 20 10 GFCDMN COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805138344 659748658 /nfs/dbraw/zinc/74/86/58/659748658.db2.gz RGSHLRNXCORKMD-CYBMUJFWSA-N 0 1 376.284 2.609 20 10 GFCDMN CCOc1ncccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807512847 659857491 /nfs/dbraw/zinc/85/74/91/659857491.db2.gz LPIYMBBQDDFRLG-UHFFFAOYSA-N 0 1 384.219 2.748 20 10 GFCDMN Cn1c2ccccc2n(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1=O ZINC000807836407 659866526 /nfs/dbraw/zinc/86/65/26/659866526.db2.gz WKBJIMANGVDFPP-UHFFFAOYSA-N 0 1 380.231 2.669 20 10 GFCDMN CCOC(=O)C1CCN(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000808101667 659876777 /nfs/dbraw/zinc/87/67/77/659876777.db2.gz KAJLLSKXEVMBEM-UHFFFAOYSA-N 0 1 397.280 2.631 20 10 GFCDMN Cn1nc(Br)cc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809712444 659937076 /nfs/dbraw/zinc/93/70/76/659937076.db2.gz NCGKEDVNFBVBOM-UHFFFAOYSA-N 0 1 375.064 2.941 20 10 GFCDMN COC(=O)COc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000809712124 659937126 /nfs/dbraw/zinc/93/71/26/659937126.db2.gz CKZKPDJHWWAEJG-UHFFFAOYSA-N 0 1 380.238 2.996 20 10 GFCDMN COC(=O)c1ccc(CNCc2cc3c(cc2O)OCO3)c(Br)c1 ZINC000809753436 659938066 /nfs/dbraw/zinc/93/80/66/659938066.db2.gz JKGWYGGOJIVPFT-UHFFFAOYSA-N 0 1 394.221 2.960 20 10 GFCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1S(N)(=O)=O ZINC000813686313 660060577 /nfs/dbraw/zinc/06/05/77/660060577.db2.gz YPKQYROCSQMCGF-UHFFFAOYSA-N 0 1 389.260 2.585 20 10 GFCDMN OC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(Br)c(F)c1 ZINC000813792184 660064769 /nfs/dbraw/zinc/06/47/69/660064769.db2.gz KVWHOUNJYJYTGL-CYBMUJFWSA-N 0 1 384.201 2.846 20 10 GFCDMN C[C@@H]1CNCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843322841 661378075 /nfs/dbraw/zinc/37/80/75/661378075.db2.gz DOSHPXSSGFEJEY-HLVNSREUSA-N 0 1 395.575 2.550 20 10 GFCDMN CN(C)c1ccc(CNCCS(=O)(=O)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000850364709 661772791 /nfs/dbraw/zinc/77/27/91/661772791.db2.gz POGSMVXIXIPWFB-UHFFFAOYSA-N 0 1 392.365 2.838 20 10 GFCDMN COC(=O)c1csc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000864357036 662368168 /nfs/dbraw/zinc/36/81/68/662368168.db2.gz UQLHJJDXVSYWKD-JYRVWZFOSA-N 0 1 382.532 2.830 20 10 GFCDMN Cn1ccnc1C(NCc1cc(Br)cc(F)c1O)c1nccn1C ZINC000883186412 663051073 /nfs/dbraw/zinc/05/10/73/663051073.db2.gz RHSNNDPIGNEOKZ-UHFFFAOYSA-N 0 1 394.248 2.640 20 10 GFCDMN Cn1cccc1C(=O)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893917832 663431421 /nfs/dbraw/zinc/43/14/21/663431421.db2.gz ZOEBQNIBGGCVHA-UHFFFAOYSA-N 0 1 396.260 2.590 20 10 GFCDMN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Br)cc(F)c1O ZINC000895402475 663511882 /nfs/dbraw/zinc/51/18/82/663511882.db2.gz MTLOLWKKULQTIT-HZMBPMFUSA-N 0 1 390.249 2.742 20 10 GFCDMN CO[C@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000895968838 663535515 /nfs/dbraw/zinc/53/55/15/663535515.db2.gz RYPLGPAWNJQMOI-LLVKDONJSA-N 0 1 381.064 2.722 20 10 GFCDMN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(Br)ccc3[O-])C2=O)n(C)n1 ZINC000186082947 552378494 /nfs/dbraw/zinc/37/84/94/552378494.db2.gz QPJAVMMJRQXPHF-FZMZJTMJSA-N 0 1 393.285 2.653 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(c2ccccn2)C1 ZINC000366244883 563802798 /nfs/dbraw/zinc/80/27/98/563802798.db2.gz CSKSHIOITAGVPK-NSHDSACASA-N 0 1 380.231 2.763 20 10 GFCDMN Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858986 601121181 /nfs/dbraw/zinc/12/11/81/601121181.db2.gz MXEGKTMGWCHKON-MRXNPFEDSA-N 0 1 397.475 2.562 20 10 GFCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858986 601121183 /nfs/dbraw/zinc/12/11/83/601121183.db2.gz MXEGKTMGWCHKON-MRXNPFEDSA-N 0 1 397.475 2.562 20 10 GFCDMN CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000828708015 601856661 /nfs/dbraw/zinc/85/66/61/601856661.db2.gz JVPZZKIIHRVRRW-UZLBHIALSA-N 0 1 375.513 2.724 20 10 GFCDMN CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000828708015 601856663 /nfs/dbraw/zinc/85/66/63/601856663.db2.gz JVPZZKIIHRVRRW-UZLBHIALSA-N 0 1 375.513 2.724 20 10 GFCDMN CC(C)(CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000823881367 605520705 /nfs/dbraw/zinc/52/07/05/605520705.db2.gz FWOODQYASPAANJ-AWEZNQCLSA-N 0 1 383.876 2.563 20 10 GFCDMN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825886475 660444869 /nfs/dbraw/zinc/44/48/69/660444869.db2.gz PKNZYGKQDVLUPD-OAHLLOKOSA-N 0 1 382.302 2.925 20 10 GFCDMN C[N@@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000829712932 660609163 /nfs/dbraw/zinc/60/91/63/660609163.db2.gz AHTLHAPRVXEFFW-UHFFFAOYSA-N 0 1 378.841 2.665 20 10 GFCDMN C[N@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000829712932 660609165 /nfs/dbraw/zinc/60/91/65/660609165.db2.gz AHTLHAPRVXEFFW-UHFFFAOYSA-N 0 1 378.841 2.665 20 10 GFCDMN CCN(CC(=O)NC(=O)NC1CCCC1)Cc1cc(Br)ccc1O ZINC000173992772 655188516 /nfs/dbraw/zinc/18/85/16/655188516.db2.gz RGAGDCJUPUKDGE-UHFFFAOYSA-N 0 1 398.301 2.745 20 10 GFCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)c1C ZINC000743050623 655725977 /nfs/dbraw/zinc/72/59/77/655725977.db2.gz XKMCKTKDAHOYGX-UHFFFAOYSA-N 0 1 378.479 2.970 20 10 GFCDMN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000753729600 655857660 /nfs/dbraw/zinc/85/76/60/655857660.db2.gz HGSHHRYCVOLGSN-GOEBONIOSA-N 0 1 386.945 2.795 20 10 GFCDMN C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000756481474 655900483 /nfs/dbraw/zinc/90/04/83/655900483.db2.gz ALZKMSZPENBNQO-JTQLQIEISA-N 0 1 379.320 2.523 20 10 GFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000779459892 656928167 /nfs/dbraw/zinc/92/81/67/656928167.db2.gz IHHFJWCHWPSMQB-UHFFFAOYSA-N 0 1 386.223 2.742 20 10 GFCDMN C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000799725053 659217366 /nfs/dbraw/zinc/21/73/66/659217366.db2.gz CRTGAKVFKQBNGH-JTQLQIEISA-N 0 1 390.839 2.953 20 10 GFCDMN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000806849532 659843171 /nfs/dbraw/zinc/84/31/71/659843171.db2.gz NLKNPJAGLABRDG-NWDGAFQWSA-N 0 1 395.308 2.854 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000807512947 659857473 /nfs/dbraw/zinc/85/74/73/659857473.db2.gz DATYUUNTMPHUPM-UHFFFAOYSA-N 0 1 383.187 2.683 20 10 GFCDMN O=C(CNC(=O)COc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807840224 659867093 /nfs/dbraw/zinc/86/70/93/659867093.db2.gz VDXNJNQFQKQQBA-UHFFFAOYSA-N 0 1 383.231 2.510 20 10 GFCDMN O=C(Cn1nnc(-c2ccccc2)n1)NCc1cc(Cl)cc(Cl)c1O ZINC000813682256 660060286 /nfs/dbraw/zinc/06/02/86/660060286.db2.gz AHGUQTJOSPOSOH-UHFFFAOYSA-N 0 1 378.219 2.669 20 10 GFCDMN CCNC(=O)COc1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858100289 662098674 /nfs/dbraw/zinc/09/86/74/662098674.db2.gz BTMWTULABKJKDO-UHFFFAOYSA-N 0 1 393.281 2.959 20 10 GFCDMN CC1(N2CCOCC2)CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000875375174 662845187 /nfs/dbraw/zinc/84/51/87/662845187.db2.gz XUHDQBOEHQJQOL-UHFFFAOYSA-N 0 1 384.571 2.522 20 10 GFCDMN CN(C)c1ccc(CNCc2cnn3cc(Br)cnc23)cc1F ZINC000876989122 662869198 /nfs/dbraw/zinc/86/91/98/662869198.db2.gz OUXMXSYOFSBARU-UHFFFAOYSA-N 0 1 378.249 2.987 20 10 GFCDMN CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000894071781 663440720 /nfs/dbraw/zinc/44/07/20/663440720.db2.gz YYUPCRZRSRVDTN-UHFFFAOYSA-N 0 1 398.688 2.943 20 10 GFCDMN CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000894071781 663440722 /nfs/dbraw/zinc/44/07/22/663440722.db2.gz YYUPCRZRSRVDTN-UHFFFAOYSA-N 0 1 398.688 2.943 20 10 GFCDMN CS(=O)(=O)[C@H]1CCCCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894573957 663469626 /nfs/dbraw/zinc/46/96/26/663469626.db2.gz YNZPYUHCHUTSRO-LBPRGKRZSA-N 0 1 380.279 2.693 20 10 GFCDMN CC[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H](C)S1(=O)=O ZINC000894760435 663480134 /nfs/dbraw/zinc/48/01/34/663480134.db2.gz KPOBKCZTLCNLOA-BXKDBHETSA-N 0 1 380.279 2.691 20 10 GFCDMN CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])CCOCC1 ZINC000897745983 663618139 /nfs/dbraw/zinc/61/81/39/663618139.db2.gz UWBOSOJGFCYICK-LBPRGKRZSA-N 0 1 386.286 2.993 20 10 GFCDMN COC(=O)C1CCC(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000915668999 664437012 /nfs/dbraw/zinc/43/70/12/664437012.db2.gz DYZPTHFLEAVTFI-UHFFFAOYSA-N 0 1 396.292 2.850 20 10 GFCDMN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(Br)cc3[O-])C2=O)n(C)n1 ZINC000186083602 552378586 /nfs/dbraw/zinc/37/85/86/552378586.db2.gz XGZVLGLIWKIQDN-SMDDNHRTSA-N 0 1 393.285 2.653 20 10 GFCDMN CN(C)c1ccc(C2=CCN(C(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000378540198 563510948 /nfs/dbraw/zinc/51/09/48/563510948.db2.gz JYKJPKNSEPYLEL-UHFFFAOYSA-N 0 1 378.548 2.911 20 10 GFCDMN COc1cc(Br)cc(CN[C@]2(CO)CCOc3ccccc32)c1O ZINC000366901648 563823447 /nfs/dbraw/zinc/82/34/47/563823447.db2.gz VAORJXHHDJXHGA-SFHVURJKSA-N 0 1 394.265 2.923 20 10 GFCDMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826800641 604914694 /nfs/dbraw/zinc/91/46/94/604914694.db2.gz PEZOIYHXTIKAMV-HOTGVXAUSA-N 0 1 397.903 2.809 20 10 GFCDMN CN(Cc1cccs1)c1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000823459125 660372798 /nfs/dbraw/zinc/37/27/98/660372798.db2.gz PNQHZZQOVKPWAH-MRXNPFEDSA-N 0 1 379.551 2.508 20 10 GFCDMN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824819071 660402913 /nfs/dbraw/zinc/40/29/13/660402913.db2.gz LKGDQZCACGDEHW-INIZCTEOSA-N 0 1 380.286 2.834 20 10 GFCDMN CO[C@@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000827618901 660505462 /nfs/dbraw/zinc/50/54/62/660505462.db2.gz UYDRHHNMIQRYGS-AWEZNQCLSA-N 0 1 398.308 2.560 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COC1CCOCC1 ZINC000122604310 654740427 /nfs/dbraw/zinc/74/04/27/654740427.db2.gz YYTSGJZYIDKMAJ-OAHLLOKOSA-N 0 1 388.302 2.533 20 10 GFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COC1CCOCC1 ZINC000122604310 654740428 /nfs/dbraw/zinc/74/04/28/654740428.db2.gz YYTSGJZYIDKMAJ-OAHLLOKOSA-N 0 1 388.302 2.533 20 10 GFCDMN C[C@@H](CNCc1ccc(N2CCCCC2)c(Br)c1)S(C)(=O)=O ZINC000838983457 661067169 /nfs/dbraw/zinc/06/71/69/661067169.db2.gz UHJVOEURBJUTKJ-ZDUSSCGKSA-N 0 1 389.359 2.962 20 10 GFCDMN COc1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000112266433 655186005 /nfs/dbraw/zinc/18/60/05/655186005.db2.gz HMCMEBOSEZYEQU-UHFFFAOYSA-N 0 1 382.869 2.986 20 10 GFCDMN CCN(CC(=O)N(C)CC(F)(F)F)Cc1cc(Br)ccc1O ZINC000173992896 655188677 /nfs/dbraw/zinc/18/86/77/655188677.db2.gz XOSROKYAAJTKAS-UHFFFAOYSA-N 0 1 383.208 2.997 20 10 GFCDMN C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Br)ccc1[O-] ZINC000840781046 661187500 /nfs/dbraw/zinc/18/75/00/661187500.db2.gz QCEYMMQEBQOVID-CQSZACIVSA-N 0 1 399.329 2.687 20 10 GFCDMN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1[O-] ZINC000756528396 655901386 /nfs/dbraw/zinc/90/13/86/655901386.db2.gz YGVBRAFGMOMSSM-CZUORRHYSA-N 0 1 398.345 2.748 20 10 GFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(Cl)c1 ZINC000840945357 661214124 /nfs/dbraw/zinc/21/41/24/661214124.db2.gz KZWWXJHHTUBXFQ-AWEZNQCLSA-N 0 1 380.897 2.907 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769008474 656263220 /nfs/dbraw/zinc/26/32/20/656263220.db2.gz YPGLMQJTQLEKNQ-JSGCOSHPSA-N 0 1 385.302 2.518 20 10 GFCDMN CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000781893958 657086908 /nfs/dbraw/zinc/08/69/08/657086908.db2.gz AOXYSFGMWMKCKP-CYBMUJFWSA-N 0 1 376.316 2.862 20 10 GFCDMN CC(C)CN1C[C@@H]2CN(Cc3cccc(Br)c3O)CCN2C1=O ZINC000787294527 657540372 /nfs/dbraw/zinc/54/03/72/657540372.db2.gz SWYNYUDROGYTLC-AWEZNQCLSA-N 0 1 382.302 2.733 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000793267154 658379104 /nfs/dbraw/zinc/37/91/04/658379104.db2.gz PHCYKIIWEJHBCW-UHFFFAOYSA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000796469735 658919066 /nfs/dbraw/zinc/91/90/66/658919066.db2.gz QMKRBWJZNYNMAV-OAHLLOKOSA-N 0 1 382.302 2.925 20 10 GFCDMN OC[C@@]1(F)CCN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000802660426 659493718 /nfs/dbraw/zinc/49/37/18/659493718.db2.gz KTPZMAQPDWFYBJ-GFCCVEGCSA-N 0 1 383.055 2.824 20 10 GFCDMN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134628 659747658 /nfs/dbraw/zinc/74/76/58/659747658.db2.gz DYBNFOWKJXRULT-DGCLKSJQSA-N 0 1 396.292 2.850 20 10 GFCDMN O=C(Cn1cc(Cl)cn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000807108523 659848454 /nfs/dbraw/zinc/84/84/54/659848454.db2.gz XPYBFGKMWWUYTI-OAHLLOKOSA-N 0 1 383.279 2.676 20 10 GFCDMN O=C(CCCNC(=O)c1cccnc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836500 659866530 /nfs/dbraw/zinc/86/65/30/659866530.db2.gz YNSYKBZLHJZKKD-UHFFFAOYSA-N 0 1 382.247 2.920 20 10 GFCDMN CC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209525 659966352 /nfs/dbraw/zinc/96/63/52/659966352.db2.gz GXFDCVLIBQRFMV-AWEZNQCLSA-N 0 1 380.432 2.876 20 10 GFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn2ccc(Br)cc2n1 ZINC000811689367 660014268 /nfs/dbraw/zinc/01/42/68/660014268.db2.gz BTMNWUFAYJLDIH-NTEUORMPSA-N 0 1 383.205 2.558 20 10 GFCDMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)c1 ZINC000811692296 660014425 /nfs/dbraw/zinc/01/44/25/660014425.db2.gz ADFZUGWHYFIKTK-UHFFFAOYSA-N 0 1 385.825 2.779 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446196 661592795 /nfs/dbraw/zinc/59/27/95/661592795.db2.gz LWLVBMMNKDNBEP-HUUCEWRRSA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847446196 661592796 /nfs/dbraw/zinc/59/27/96/661592796.db2.gz LWLVBMMNKDNBEP-HUUCEWRRSA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(NCC[S@](=O)CC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000852455973 661864412 /nfs/dbraw/zinc/86/44/12/661864412.db2.gz HKLCIPMQVQHEIS-QHCPKHFHSA-N 0 1 393.214 2.809 20 10 GFCDMN O=C(NCCCSc1nccs1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000853858242 661904708 /nfs/dbraw/zinc/90/47/08/661904708.db2.gz MGNIRVMIFQZPNP-OAHLLOKOSA-N 0 1 384.571 2.522 20 10 GFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000858130081 662099960 /nfs/dbraw/zinc/09/99/60/662099960.db2.gz XGPUAYSRHBDPII-JTQLQIEISA-N 0 1 388.208 2.962 20 10 GFCDMN Cc1cc(Br)cc([C@@H](C)NCc2nc3c(c(=O)[nH]2)COCC3)c1O ZINC000866628713 662484810 /nfs/dbraw/zinc/48/48/10/662484810.db2.gz MTIFWIWATQLASB-SNVBAGLBSA-N 0 1 394.269 2.882 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)NC[C@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000883725367 663059810 /nfs/dbraw/zinc/05/98/10/663059810.db2.gz SZKHMVGNZQMUGJ-KRWDZBQOSA-N 0 1 385.339 2.822 20 10 GFCDMN CN1CCC([N@@H+](CCO)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893864242 663428645 /nfs/dbraw/zinc/42/86/45/663428645.db2.gz VGLHEDKJXJSCHD-UHFFFAOYSA-N 0 1 377.710 2.697 20 10 GFCDMN CS(=O)(=O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000894666531 663475254 /nfs/dbraw/zinc/47/52/54/663475254.db2.gz ICBBUBOYKAYRST-LBPRGKRZSA-N 0 1 380.279 2.693 20 10 GFCDMN CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000903362970 663782677 /nfs/dbraw/zinc/78/26/77/663782677.db2.gz KQKHPBRMDGLZEH-ZFWWWQNUSA-N 0 1 381.416 2.655 20 10 GFCDMN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185006713 552350773 /nfs/dbraw/zinc/35/07/73/552350773.db2.gz KUXQCUNIHPYTFC-CYBMUJFWSA-N 0 1 398.345 2.796 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186022043 552376778 /nfs/dbraw/zinc/37/67/78/552376778.db2.gz BYRVWURURZRTRW-LDYMZIIASA-N 0 1 381.192 2.969 20 10 GFCDMN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(Br)cc3[O-])C2=O)n(C)n1 ZINC000186083585 552378685 /nfs/dbraw/zinc/37/86/85/552378685.db2.gz XGZVLGLIWKIQDN-FZMZJTMJSA-N 0 1 393.285 2.653 20 10 GFCDMN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])CC2 ZINC000186102412 552379108 /nfs/dbraw/zinc/37/91/08/552379108.db2.gz FVRROBJMMMECBO-CMPLNLGQSA-N 0 1 381.274 2.558 20 10 GFCDMN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000277600133 563215914 /nfs/dbraw/zinc/21/59/14/563215914.db2.gz WTMIKBWHILASDB-HNNXBMFYSA-N 0 1 385.302 2.564 20 10 GFCDMN O=C(C[NH2+]Cc1cc(Br)ccc1[O-])N[C@H]1CCOc2ccccc21 ZINC000374327568 563368232 /nfs/dbraw/zinc/36/82/32/563368232.db2.gz REPMWWHIHCPOSC-HNNXBMFYSA-N 0 1 391.265 2.884 20 10 GFCDMN O=C([O-])c1sccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000739272700 600143365 /nfs/dbraw/zinc/14/33/65/600143365.db2.gz FEHIQBJEXOFTDS-AWEZNQCLSA-N 0 1 390.461 2.772 20 10 GFCDMN O=C([O-])c1sccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000739272700 600143368 /nfs/dbraw/zinc/14/33/68/600143368.db2.gz FEHIQBJEXOFTDS-AWEZNQCLSA-N 0 1 390.461 2.772 20 10 GFCDMN Cc1cc(C(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858642 601594847 /nfs/dbraw/zinc/59/48/47/601594847.db2.gz LIEQQMFRJFFWND-DYVFJYSZSA-N 0 1 397.475 2.561 20 10 GFCDMN Cc1cc(C(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858642 601594848 /nfs/dbraw/zinc/59/48/48/601594848.db2.gz LIEQQMFRJFFWND-DYVFJYSZSA-N 0 1 397.475 2.561 20 10 GFCDMN CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833694636 604943833 /nfs/dbraw/zinc/94/38/33/604943833.db2.gz AJVXFZLXWDXNCO-QGZVFWFLSA-N 0 1 375.513 2.534 20 10 GFCDMN COc1ccc(N2CC[C@H](CNC(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000819584239 660264567 /nfs/dbraw/zinc/26/45/67/660264567.db2.gz FCQSDVKAPVZFGR-LLVKDONJSA-N 0 1 396.563 2.570 20 10 GFCDMN Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)n(C)n1 ZINC000825710242 660438707 /nfs/dbraw/zinc/43/87/07/660438707.db2.gz JMFGWRPRPHPEAD-OAHLLOKOSA-N 0 1 379.302 2.955 20 10 GFCDMN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825886474 660444838 /nfs/dbraw/zinc/44/48/38/660444838.db2.gz PKNZYGKQDVLUPD-HNNXBMFYSA-N 0 1 382.302 2.925 20 10 GFCDMN CS(=O)(=O)[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1C(F)(F)F ZINC000826894252 660470359 /nfs/dbraw/zinc/47/03/59/660470359.db2.gz MINQWXICHNBEPR-MWLCHTKSSA-N 0 1 375.771 2.592 20 10 GFCDMN CN1CCC(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)CC1 ZINC000068127175 654955425 /nfs/dbraw/zinc/95/54/25/654955425.db2.gz DQTHFXLXTKOXQH-WJDWOHSUSA-N 0 1 376.503 2.753 20 10 GFCDMN O=C(c1ccc(O)cc1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000091813553 655010220 /nfs/dbraw/zinc/01/02/20/655010220.db2.gz OMTNSFGYDIHMGO-UHFFFAOYSA-N 0 1 391.265 2.818 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000180652570 655329087 /nfs/dbraw/zinc/32/90/87/655329087.db2.gz ZLALTFWNNASGDO-CZUORRHYSA-N 0 1 380.286 2.834 20 10 GFCDMN C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Br)ccc1[O-] ZINC000840781044 661187415 /nfs/dbraw/zinc/18/74/15/661187415.db2.gz QCEYMMQEBQOVID-AWEZNQCLSA-N 0 1 399.329 2.687 20 10 GFCDMN COc1cc(Br)cc(CN2CCC(NC(=O)C(C)C)CC2)c1O ZINC000768326920 656237455 /nfs/dbraw/zinc/23/74/55/656237455.db2.gz IOFWJAWNYYGPAL-UHFFFAOYSA-N 0 1 385.302 2.900 20 10 GFCDMN O=C(c1cc(Br)[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788301691 657693186 /nfs/dbraw/zinc/69/31/86/657693186.db2.gz IHEBFSZAIIOXOJ-GFCCVEGCSA-N 0 1 380.242 2.699 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000808479575 659895397 /nfs/dbraw/zinc/89/53/97/659895397.db2.gz XQEJPYOUMCSHNY-UHFFFAOYSA-N 0 1 380.187 2.904 20 10 GFCDMN CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000813684022 660060350 /nfs/dbraw/zinc/06/03/50/660060350.db2.gz JBZWDWJAHVPWTC-LBPRGKRZSA-N 0 1 389.235 2.802 20 10 GFCDMN Cc1cc(C(=O)N2CCNC[C@@H]2C)c(C)n1-c1ccc(Br)cn1 ZINC000843322879 661378063 /nfs/dbraw/zinc/37/80/63/661378063.db2.gz FLECKXBRZOZLLI-LBPRGKRZSA-N 0 1 377.286 2.686 20 10 GFCDMN Cc1cc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cnc1Cl ZINC000850355856 661771974 /nfs/dbraw/zinc/77/19/74/661771974.db2.gz LXBCZPHFFSJIOS-UHFFFAOYSA-N 0 1 379.913 2.568 20 10 GFCDMN CC[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1cc(Br)ccc1[O-] ZINC000851792697 661832370 /nfs/dbraw/zinc/83/23/70/661832370.db2.gz OCKNMSCMAWEYQI-UHFFFAOYSA-N 0 1 382.306 2.961 20 10 GFCDMN CC[N@@H+](CCc1nnn(C(C)(C)C)n1)Cc1cc(Br)ccc1[O-] ZINC000851792697 661832372 /nfs/dbraw/zinc/83/23/72/661832372.db2.gz OCKNMSCMAWEYQI-UHFFFAOYSA-N 0 1 382.306 2.961 20 10 GFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]3(C)Br)cc2F)CC1 ZINC000859260711 662148570 /nfs/dbraw/zinc/14/85/70/662148570.db2.gz CWRBLDXKFITCKB-KBXCAEBGSA-N 0 1 398.320 2.757 20 10 GFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Br)cn1 ZINC000862251912 662277974 /nfs/dbraw/zinc/27/79/74/662277974.db2.gz ACRKVCHOXVVPMQ-SUMWQHHRSA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Br)cn1 ZINC000862251912 662277978 /nfs/dbraw/zinc/27/79/78/662277978.db2.gz ACRKVCHOXVVPMQ-SUMWQHHRSA-N 0 1 380.286 2.976 20 10 GFCDMN Cc1cc(O)c(CNCc2c(I)cnn2C)cc1Cl ZINC000877775662 662883322 /nfs/dbraw/zinc/88/33/22/662883322.db2.gz YLABZADONIBLOX-UHFFFAOYSA-N 0 1 391.640 2.982 20 10 GFCDMN O=C1CN(Cc2cc(Br)cc(F)c2O)CN1CCC(F)(F)F ZINC000894888773 663487155 /nfs/dbraw/zinc/48/71/55/663487155.db2.gz QCYGIKATFSKYDB-UHFFFAOYSA-N 0 1 385.155 2.848 20 10 GFCDMN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000897984959 663628902 /nfs/dbraw/zinc/62/89/02/663628902.db2.gz IDCMDNASLNOUGJ-GFCCVEGCSA-N 0 1 380.242 2.763 20 10 GFCDMN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])CC2 ZINC000186103364 552379128 /nfs/dbraw/zinc/37/91/28/552379128.db2.gz PBIQUYINXZEZDR-CMPLNLGQSA-N 0 1 381.274 2.558 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000377087885 563462809 /nfs/dbraw/zinc/46/28/09/563462809.db2.gz DOVGXTRBYHWRHD-WCBMZHEXSA-N 0 1 385.169 2.772 20 10 GFCDMN CC[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000364363008 563751429 /nfs/dbraw/zinc/75/14/29/563751429.db2.gz XQORSDPEIIKYBR-UONOGXRCSA-N 0 1 393.285 2.734 20 10 GFCDMN O=C(NCc1cccc(Br)c1O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528292715 564775998 /nfs/dbraw/zinc/77/59/98/564775998.db2.gz GKNAJSZQLWRCRE-AWEZNQCLSA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528292715 564776004 /nfs/dbraw/zinc/77/60/04/564776004.db2.gz GKNAJSZQLWRCRE-AWEZNQCLSA-N 0 1 382.302 2.971 20 10 GFCDMN FC(F)Oc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000822732589 599426657 /nfs/dbraw/zinc/42/66/57/599426657.db2.gz LJUZKZBXLLKLCM-UHFFFAOYSA-N 0 1 390.394 2.820 20 10 GFCDMN C[C@H](c1cccnc1)[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736725310 600503748 /nfs/dbraw/zinc/50/37/48/600503748.db2.gz QXLUJGSUNGYEBF-KEDPEKRHSA-N 0 1 382.420 2.971 20 10 GFCDMN Cc1[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1C(=O)[O-] ZINC000738229155 600935618 /nfs/dbraw/zinc/93/56/18/600935618.db2.gz IRXKKKJIWLCVSI-INIZCTEOSA-N 0 1 399.491 2.870 20 10 GFCDMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1C(=O)[O-] ZINC000738229155 600935620 /nfs/dbraw/zinc/93/56/20/600935620.db2.gz IRXKKKJIWLCVSI-INIZCTEOSA-N 0 1 399.491 2.870 20 10 GFCDMN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830831356 601397356 /nfs/dbraw/zinc/39/73/56/601397356.db2.gz VZADSOOFGYQRIK-UHFFFAOYSA-N 0 1 380.448 2.661 20 10 GFCDMN CCC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826897122 605466424 /nfs/dbraw/zinc/46/64/24/605466424.db2.gz HTUVPSDMTKKQEP-UHFFFAOYSA-N 0 1 390.528 2.565 20 10 GFCDMN O=C([O-])N1CCC([N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)CC1 ZINC000834083011 605491064 /nfs/dbraw/zinc/49/10/64/605491064.db2.gz GZGFCBVSFKWCAK-UHFFFAOYSA-N 0 1 377.460 2.769 20 10 GFCDMN O=C1[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCCN1c1cccnc1 ZINC000825497523 660430286 /nfs/dbraw/zinc/43/02/86/660430286.db2.gz KHZVIIAPOMAJBX-OAHLLOKOSA-N 0 1 376.254 2.835 20 10 GFCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827291350 660487973 /nfs/dbraw/zinc/48/79/73/660487973.db2.gz KGCQPUISKNKSAQ-TVQRCGJNSA-N 0 1 377.076 2.874 20 10 GFCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827291350 660487979 /nfs/dbraw/zinc/48/79/79/660487979.db2.gz KGCQPUISKNKSAQ-TVQRCGJNSA-N 0 1 377.076 2.874 20 10 GFCDMN Cc1cc(C(=O)NCCc2nc[nH]n2)c(C)n1-c1cccc(Br)c1 ZINC000742200939 655711994 /nfs/dbraw/zinc/71/19/94/655711994.db2.gz CADIUQDDAHLURO-UHFFFAOYSA-N 0 1 388.269 2.947 20 10 GFCDMN O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1cnc[nH]1 ZINC000754294146 655866143 /nfs/dbraw/zinc/86/61/43/655866143.db2.gz LWQYXXLKWXIDNL-NTUHNPAUSA-N 0 1 392.531 2.769 20 10 GFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)ccc1Cl ZINC000766047142 656158627 /nfs/dbraw/zinc/15/86/27/656158627.db2.gz GLCUVHHOQDVKGD-UHFFFAOYSA-N 0 1 383.809 2.836 20 10 GFCDMN COc1c([O-])c(C[NH2+][C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000775031748 656589496 /nfs/dbraw/zinc/58/94/96/656589496.db2.gz FOPWETBWDZXULE-ZDUSSCGKSA-N 0 1 397.225 2.895 20 10 GFCDMN O=S(=O)(C1CN(Cc2cccc(Cl)c2O)C1)N1CCc2ccccc21 ZINC000779625326 656934587 /nfs/dbraw/zinc/93/45/87/656934587.db2.gz WATMVSGEPJBAGS-UHFFFAOYSA-N 0 1 378.881 2.622 20 10 GFCDMN O=C1CN(Cc2cc(Br)cc(Br)c2O)CN1C1CC1 ZINC000790943658 658047663 /nfs/dbraw/zinc/04/76/63/658047663.db2.gz WKXJELBMVQLFBT-UHFFFAOYSA-N 0 1 390.075 2.681 20 10 GFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cnn(CC2CC2)c1 ZINC000805135798 659747763 /nfs/dbraw/zinc/74/77/63/659747763.db2.gz TZSGPQACYMESRU-UHFFFAOYSA-N 0 1 376.265 2.784 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(-n2cnnn2)cc1 ZINC000806143312 659826287 /nfs/dbraw/zinc/82/62/87/659826287.db2.gz JCIRBWVKQBJKIG-UHFFFAOYSA-N 0 1 379.207 2.996 20 10 GFCDMN CCCCn1nccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513689 659857463 /nfs/dbraw/zinc/85/74/63/659857463.db2.gz SMCLVHNEUSXJTM-UHFFFAOYSA-N 0 1 385.251 2.951 20 10 GFCDMN CCC(=O)N[C@@H](CCSC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838860 659866896 /nfs/dbraw/zinc/86/68/96/659866896.db2.gz AOUWNHZDQZUQFC-LBPRGKRZSA-N 0 1 379.309 2.963 20 10 GFCDMN COc1ccc(N2CC[C@@H](NCc3c(Br)c(C)nn3C)C2)cc1 ZINC000850347325 661770782 /nfs/dbraw/zinc/77/07/82/661770782.db2.gz QGQIKENBFYNGSP-CYBMUJFWSA-N 0 1 379.302 2.868 20 10 GFCDMN CC(C)O[C@]1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCOC1 ZINC000851789395 661832132 /nfs/dbraw/zinc/83/21/32/661832132.db2.gz OTEIMFPFUVNFJI-OAHLLOKOSA-N 0 1 398.308 2.703 20 10 GFCDMN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862246352 662277179 /nfs/dbraw/zinc/27/71/79/662277179.db2.gz NAICEIJWEHQPOT-MRXNPFEDSA-N 0 1 380.286 2.834 20 10 GFCDMN COc1ccc(O)c([C@H](C)NCc2c(I)cnn2C)c1 ZINC000866631674 662485856 /nfs/dbraw/zinc/48/58/56/662485856.db2.gz PKXNZAAARDDPBT-VIFPVBQESA-N 0 1 387.221 2.590 20 10 GFCDMN COC(=O)c1sc(NCc2ccc(N3CCN(C)CC3)cc2)nc1Cl ZINC000882880237 663044365 /nfs/dbraw/zinc/04/43/65/663044365.db2.gz ISPPOQUHGYMRSB-UHFFFAOYSA-N 0 1 380.901 2.947 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000883014746 663046625 /nfs/dbraw/zinc/04/66/25/663046625.db2.gz ZJNZGPFDUNMOQW-GFCCVEGCSA-N 0 1 387.293 2.884 20 10 GFCDMN CN(Cc1ncnn1CC(F)F)Cc1cc(Br)cc(F)c1O ZINC000894589717 663470398 /nfs/dbraw/zinc/47/03/98/663470398.db2.gz ZBDRBBCDUCKCBX-UHFFFAOYSA-N 0 1 379.180 2.782 20 10 GFCDMN Cn1nc(C2CC2)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000907185872 664010179 /nfs/dbraw/zinc/01/01/79/664010179.db2.gz FRUMDQNFRYKRHJ-UHFFFAOYSA-N 0 1 376.265 2.788 20 10 GFCDMN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000184979079 552350064 /nfs/dbraw/zinc/35/00/64/552350064.db2.gz XXUWCRWPWIFODH-LLVKDONJSA-N 0 1 391.331 2.619 20 10 GFCDMN COc1ccc(O)c(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])c1 ZINC000833733504 605230369 /nfs/dbraw/zinc/23/03/69/605230369.db2.gz IXXSHIYOPSCYCG-QGZVFWFLSA-N 0 1 387.432 2.992 20 10 GFCDMN CN(Cc1cn(C)nn1)Cc1cc(Br)cc(Br)c1O ZINC000827305520 660488508 /nfs/dbraw/zinc/48/85/08/660488508.db2.gz VAKXGNDEYYLZLN-UHFFFAOYSA-N 0 1 390.079 2.678 20 10 GFCDMN COc1cc(Br)cc(C[N@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000827515690 660500099 /nfs/dbraw/zinc/50/00/99/660500099.db2.gz NSBOQEDABDWPPN-UHFFFAOYSA-N 0 1 399.329 2.708 20 10 GFCDMN COc1cc(Br)cc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000827515690 660500102 /nfs/dbraw/zinc/50/01/02/660500102.db2.gz NSBOQEDABDWPPN-UHFFFAOYSA-N 0 1 399.329 2.708 20 10 GFCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)o2)c(F)c1 ZINC000830150655 660638674 /nfs/dbraw/zinc/63/86/74/660638674.db2.gz LONBPLGJQFFBFO-UHFFFAOYSA-N 0 1 376.431 2.680 20 10 GFCDMN O=S(=O)(NCC[NH2+]Cc1c([O-])cccc1Cl)c1ccc(Cl)s1 ZINC000127828448 654835090 /nfs/dbraw/zinc/83/50/90/654835090.db2.gz FJKRRKFODJWDHJ-UHFFFAOYSA-N 0 1 381.306 2.829 20 10 GFCDMN O=C(NCCCSc1nccs1)NCCN1CCc2ccccc2C1 ZINC000152153576 655056738 /nfs/dbraw/zinc/05/67/38/655056738.db2.gz LDCXBCIBTLCXDJ-UHFFFAOYSA-N 0 1 376.551 2.983 20 10 GFCDMN Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c(F)c1 ZINC000105387029 655091812 /nfs/dbraw/zinc/09/18/12/655091812.db2.gz VFGCJJIDMWTCKD-UHFFFAOYSA-N 0 1 392.861 2.960 20 10 GFCDMN COc1cccc(CNC(=O)c2cccc(I)c2O)c1O ZINC000755528757 655885210 /nfs/dbraw/zinc/88/52/10/655885210.db2.gz HAXKYVQAOFGHDQ-UHFFFAOYSA-N 0 1 399.184 2.641 20 10 GFCDMN CCOC(=O)[C@@H](C)NCc1cc(Br)cc(Br)c1O ZINC000763266915 656077697 /nfs/dbraw/zinc/07/76/97/656077697.db2.gz FMTZCBVPFMERPQ-SSDOTTSWSA-N 0 1 381.064 2.958 20 10 GFCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000781897053 657086586 /nfs/dbraw/zinc/08/65/86/657086586.db2.gz BYOOWWSBOZFUJJ-OAHLLOKOSA-N 0 1 390.318 2.697 20 10 GFCDMN CC(C)c1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807513336 659857517 /nfs/dbraw/zinc/85/75/17/659857517.db2.gz LNTRCTLYWRZHJM-UHFFFAOYSA-N 0 1 383.235 2.867 20 10 GFCDMN Cc1ccc(S(N)(=O)=O)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813684883 660060282 /nfs/dbraw/zinc/06/02/82/660060282.db2.gz PLBWHZNJQGKOLD-UHFFFAOYSA-N 0 1 389.260 2.585 20 10 GFCDMN COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858141256 662100914 /nfs/dbraw/zinc/10/09/14/662100914.db2.gz NGFGCYXYDVATHR-KRWDZBQOSA-N 0 1 382.254 2.995 20 10 GFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]3(C)Br)cc2F)CC1 ZINC000859260714 662148586 /nfs/dbraw/zinc/14/85/86/662148586.db2.gz CWRBLDXKFITCKB-RDTXWAMCSA-N 0 1 398.320 2.757 20 10 GFCDMN CCOC(=O)C1(COC)CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862353675 662282002 /nfs/dbraw/zinc/28/20/02/662282002.db2.gz WJPMWWZMXBVPND-UHFFFAOYSA-N 0 1 386.286 2.946 20 10 GFCDMN CCOC(=O)C1(COC)CCN(Cc2c(O)cccc2Br)CC1 ZINC000862353675 662282004 /nfs/dbraw/zinc/28/20/04/662282004.db2.gz WJPMWWZMXBVPND-UHFFFAOYSA-N 0 1 386.286 2.946 20 10 GFCDMN O=C(c1cccnc1)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893872060 663429037 /nfs/dbraw/zinc/42/90/37/663429037.db2.gz NZOWBEBHVYPITJ-UHFFFAOYSA-N 0 1 394.244 2.647 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000894016913 663437282 /nfs/dbraw/zinc/43/72/82/663437282.db2.gz IMGVWRYGJMAVBS-UHFFFAOYSA-N 0 1 390.171 2.667 20 10 GFCDMN CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])CCOCC1 ZINC000897745982 663618218 /nfs/dbraw/zinc/61/82/18/663618218.db2.gz UWBOSOJGFCYICK-GFCCVEGCSA-N 0 1 386.286 2.993 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CSc1nnc(C)[nH]1 ZINC000178303445 552168635 /nfs/dbraw/zinc/16/86/35/552168635.db2.gz YYPJSSQYLXUWMR-UHFFFAOYSA-N 0 1 385.287 2.722 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CSc1nc(C)n[nH]1 ZINC000178303445 552168636 /nfs/dbraw/zinc/16/86/36/552168636.db2.gz YYPJSSQYLXUWMR-UHFFFAOYSA-N 0 1 385.287 2.722 20 10 GFCDMN C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Br)ccc1[O-] ZINC000181009264 552243162 /nfs/dbraw/zinc/24/31/62/552243162.db2.gz AMGASSMYORAYPE-LLVKDONJSA-N 0 1 399.310 2.695 20 10 GFCDMN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])CC2 ZINC000186102463 552379314 /nfs/dbraw/zinc/37/93/14/552379314.db2.gz FVRROBJMMMECBO-PWSUYJOCSA-N 0 1 381.274 2.558 20 10 GFCDMN C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186158575 552380428 /nfs/dbraw/zinc/38/04/28/552380428.db2.gz HALQNDHYFBLTCF-ZYHUDNBSSA-N 0 1 375.899 2.593 20 10 GFCDMN CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000366537141 563812746 /nfs/dbraw/zinc/81/27/46/563812746.db2.gz VJNJBHCQGJMDPV-ZDUSSCGKSA-N 0 1 376.862 2.743 20 10 GFCDMN CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000366537141 563812750 /nfs/dbraw/zinc/81/27/50/563812750.db2.gz VJNJBHCQGJMDPV-ZDUSSCGKSA-N 0 1 376.862 2.743 20 10 GFCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826510813 608590414 /nfs/dbraw/zinc/59/04/14/608590414.db2.gz LSAGBLQYLYAFKJ-MRXNPFEDSA-N 0 1 389.818 2.938 20 10 GFCDMN Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)ccc1O ZINC000826271138 609156794 /nfs/dbraw/zinc/15/67/94/609156794.db2.gz FFKFUTNMLHOVMS-UHFFFAOYSA-N 0 1 399.354 2.700 20 10 GFCDMN CCOc1ccc(-c2nn[nH]n2)cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000825632115 609477541 /nfs/dbraw/zinc/47/75/41/609477541.db2.gz LJTGSVZBZMNUER-UHFFFAOYSA-N 0 1 393.495 2.629 20 10 GFCDMN COc1ccc(N2CC[C@@H](CNC(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000819584240 660264518 /nfs/dbraw/zinc/26/45/18/660264518.db2.gz FCQSDVKAPVZFGR-NSHDSACASA-N 0 1 396.563 2.570 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000822948923 660358772 /nfs/dbraw/zinc/35/87/72/660358772.db2.gz BRPYZZIMYBTKFL-RKDXNWHRSA-N 0 1 385.169 2.630 20 10 GFCDMN CS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825191230 660414206 /nfs/dbraw/zinc/41/42/06/660414206.db2.gz ZLGCPFFWNARGFM-UHFFFAOYSA-N 0 1 384.295 2.989 20 10 GFCDMN Cc1cc([O-])c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1Cl ZINC000825283574 660418294 /nfs/dbraw/zinc/41/82/94/660418294.db2.gz NWMGSZZBTCTKGJ-UHFFFAOYSA-N 0 1 382.860 2.708 20 10 GFCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)NCCc1ccccc1 ZINC000826084055 660449446 /nfs/dbraw/zinc/44/94/46/660449446.db2.gz SDXJQIGKWJQROY-ZDUSSCGKSA-N 0 1 377.282 2.992 20 10 GFCDMN CCCC[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179613627 655315247 /nfs/dbraw/zinc/31/52/47/655315247.db2.gz NFNNSLLAXCSPOM-ZDUSSCGKSA-N 0 1 376.316 2.944 20 10 GFCDMN COCCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000120156581 655329570 /nfs/dbraw/zinc/32/95/70/655329570.db2.gz MYEMWKVCEPOWFS-CYBMUJFWSA-N 0 1 382.309 2.725 20 10 GFCDMN O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(-n2cnnn2)cc1 ZINC000727242171 655543441 /nfs/dbraw/zinc/54/34/41/655543441.db2.gz UUJDDHDAMFMEHJ-UHFFFAOYSA-N 0 1 390.475 2.648 20 10 GFCDMN COc1ccc2c(c1)[nH]cc(C(=O)NCCCSc1nccs1)c2=O ZINC000736683788 655665922 /nfs/dbraw/zinc/66/59/22/655665922.db2.gz XTIGVGJOUNMGRE-UHFFFAOYSA-N 0 1 375.475 2.905 20 10 GFCDMN O=C(NCc1ccccc1O)c1n[nH]c2ccc(I)cc21 ZINC000743327356 655727758 /nfs/dbraw/zinc/72/77/58/655727758.db2.gz LOBQJWCOWPHXQM-UHFFFAOYSA-N 0 1 393.184 2.803 20 10 GFCDMN C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(N2CCOCC2)cc1 ZINC000747365791 655777769 /nfs/dbraw/zinc/77/77/69/655777769.db2.gz ARPKZVWQBNZVEV-LLVKDONJSA-N 0 1 396.563 2.633 20 10 GFCDMN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756402793 655899353 /nfs/dbraw/zinc/89/93/53/655899353.db2.gz YVFSUNYONCAJKJ-LBPRGKRZSA-N 0 1 388.325 2.970 20 10 GFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1C ZINC000768266073 656236019 /nfs/dbraw/zinc/23/60/19/656236019.db2.gz MTRIDMQUVVDTCF-UHFFFAOYSA-N 0 1 389.886 2.606 20 10 GFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000779195196 656904824 /nfs/dbraw/zinc/90/48/24/656904824.db2.gz APOVKTXCHZFDOR-SNVBAGLBSA-N 0 1 381.192 2.655 20 10 GFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)c1[O-] ZINC000782979076 657198675 /nfs/dbraw/zinc/19/86/75/657198675.db2.gz KTQATAWLKDSKNR-SNVBAGLBSA-N 0 1 382.869 2.746 20 10 GFCDMN O=S(=O)(NCC[NH2+]Cc1c([O-])cccc1Cl)c1ccc(Cl)cc1F ZINC000799344529 659183378 /nfs/dbraw/zinc/18/33/78/659183378.db2.gz DIQBTWOKAFUHCM-UHFFFAOYSA-N 0 1 393.267 2.906 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2nccn2c1 ZINC000807512870 659857512 /nfs/dbraw/zinc/85/75/12/659857512.db2.gz MZHDZSIAVRUWND-UHFFFAOYSA-N 0 1 379.203 2.602 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000807513019 659857552 /nfs/dbraw/zinc/85/75/52/659857552.db2.gz PFKLEZTUTNDYNR-UHFFFAOYSA-N 0 1 384.175 2.862 20 10 GFCDMN NS(=O)(=O)c1c(NCc2cc(Cl)cc(Cl)c2O)cccc1[N+](=O)[O-] ZINC000808089029 659875946 /nfs/dbraw/zinc/87/59/46/659875946.db2.gz GPXFWXRRNQYNPM-UHFFFAOYSA-N 0 1 392.220 2.867 20 10 GFCDMN COC(=O)CCn1nc(C)c(C[NH2+]Cc2cc(Br)ccc2[O-])c1C ZINC000809713323 659937149 /nfs/dbraw/zinc/93/71/49/659937149.db2.gz MMBZPZBLUQUSOX-UHFFFAOYSA-N 0 1 396.285 2.821 20 10 GFCDMN Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1S(N)(=O)=O ZINC000813683496 660060342 /nfs/dbraw/zinc/06/03/42/660060342.db2.gz RAEVGPUISXZUQX-UHFFFAOYSA-N 0 1 389.260 2.585 20 10 GFCDMN O=C(Cn1cnc2sccc2c1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682744 660060370 /nfs/dbraw/zinc/06/03/70/660060370.db2.gz IIRITKISCHVAGG-UHFFFAOYSA-N 0 1 384.244 2.787 20 10 GFCDMN O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccs1 ZINC000816557778 660161090 /nfs/dbraw/zinc/16/10/90/660161090.db2.gz BBMMNPSWXFNWHE-OAHLLOKOSA-N 0 1 377.487 2.531 20 10 GFCDMN C[C@H]1C(=O)N(C)CN1Cc1cc(Br)cc(Br)c1O ZINC000843436007 661381424 /nfs/dbraw/zinc/38/14/24/661381424.db2.gz YZHHJINWFUKOFB-ZETCQYMHSA-N 0 1 378.064 2.537 20 10 GFCDMN O=C1OC[C@H]2C[N@H+](Cc3cc(Br)cc(Br)c3[O-])C[C@@H]12 ZINC000862546466 662290991 /nfs/dbraw/zinc/29/09/91/662290991.db2.gz MZWUSCLBDBAQEG-PSASIEDQSA-N 0 1 391.059 2.522 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000883049827 663047811 /nfs/dbraw/zinc/04/78/11/663047811.db2.gz WNGPDPAGHPOQID-JKSUJKDBSA-N 0 1 387.293 2.761 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894095622 663442600 /nfs/dbraw/zinc/44/26/00/663442600.db2.gz RDJCWMKQAPNAMK-MEDUHNTESA-N 0 1 398.276 2.973 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCOC12CCOCC2 ZINC000898783154 663663949 /nfs/dbraw/zinc/66/39/49/663663949.db2.gz OYFKHLKGNOWYNV-CYBMUJFWSA-N 0 1 375.252 2.836 20 10 GFCDMN Cn1cc(Br)c(CNCc2cccc(Br)c2O)n1 ZINC000393366734 677410530 /nfs/dbraw/zinc/41/05/30/677410530.db2.gz GATRCTRJNTVSDM-UHFFFAOYSA-N 0 1 375.064 2.941 20 10 GFCDMN CC(C)[N@@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000179579417 552197298 /nfs/dbraw/zinc/19/72/98/552197298.db2.gz QEZYHTNYZXWHBW-UHFFFAOYSA-N 0 1 380.080 2.613 20 10 GFCDMN CNC(=O)[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1O ZINC000179786398 552202995 /nfs/dbraw/zinc/20/29/95/552202995.db2.gz XNCREHVNFWSQGK-NSHDSACASA-N 0 1 392.091 2.628 20 10 GFCDMN C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186158556 552380499 /nfs/dbraw/zinc/38/04/99/552380499.db2.gz HALQNDHYFBLTCF-CMPLNLGQSA-N 0 1 375.899 2.593 20 10 GFCDMN O=C(C[NH2+]Cc1cc(Br)ccc1[O-])N[C@@H]1CCOc2ccccc21 ZINC000374327573 563368100 /nfs/dbraw/zinc/36/81/00/563368100.db2.gz REPMWWHIHCPOSC-OAHLLOKOSA-N 0 1 391.265 2.884 20 10 GFCDMN C[C@]1(NCc2cc(Br)cc(Br)c2O)CCOC1=O ZINC000290834885 563723370 /nfs/dbraw/zinc/72/33/70/563723370.db2.gz HUBAYJBQMBZMQZ-LBPRGKRZSA-N 0 1 379.048 2.712 20 10 GFCDMN C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)CS2 ZINC000366279518 563804206 /nfs/dbraw/zinc/80/42/06/563804206.db2.gz HVWKYSHCTZATGX-ABAIWWIYSA-N 0 1 375.277 2.769 20 10 GFCDMN O=C([O-])/C=C/c1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000739623955 600177918 /nfs/dbraw/zinc/17/79/18/600177918.db2.gz HTHDNWOZSMKYQD-FHVRUZERSA-N 0 1 397.431 2.548 20 10 GFCDMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](C)Cc1ccccc1O ZINC000737409731 600313307 /nfs/dbraw/zinc/31/33/07/600313307.db2.gz XOJGWYQTRRHSJX-LJQANCHMSA-N 0 1 381.432 2.559 20 10 GFCDMN C[N@H+](CC(=O)N1CCN(C(=O)[O-])CC1)Cc1cc2oc3ccccc3c2cc1O ZINC000739620848 602310980 /nfs/dbraw/zinc/31/09/80/602310980.db2.gz PSMAJZSFDCEFPH-UHFFFAOYSA-N 0 1 397.431 2.546 20 10 GFCDMN C[N@@H+](CC(=O)N1CCN(C(=O)[O-])CC1)Cc1cc2oc3ccccc3c2cc1O ZINC000739620848 602310983 /nfs/dbraw/zinc/31/09/83/602310983.db2.gz PSMAJZSFDCEFPH-UHFFFAOYSA-N 0 1 397.431 2.546 20 10 GFCDMN Cc1cnc(C[N@@H+](C)[C@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000832986427 604779012 /nfs/dbraw/zinc/77/90/12/604779012.db2.gz WRKWYJKCJFPZJK-VOKGJARPSA-N 0 1 386.408 2.700 20 10 GFCDMN Cc1cnc(C[N@H+](C)[C@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000832986427 604779014 /nfs/dbraw/zinc/77/90/14/604779014.db2.gz WRKWYJKCJFPZJK-VOKGJARPSA-N 0 1 386.408 2.700 20 10 GFCDMN O=C([O-])NCCCOC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000834238646 605672313 /nfs/dbraw/zinc/67/23/13/605672313.db2.gz QDDJMAFDUGCJPJ-UHFFFAOYSA-N 0 1 387.274 2.793 20 10 GFCDMN Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822177150 606742092 /nfs/dbraw/zinc/74/20/92/606742092.db2.gz VHFXJMSBDVTTQR-UHFFFAOYSA-N 0 1 399.418 2.798 20 10 GFCDMN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825768678 660441163 /nfs/dbraw/zinc/44/11/63/660441163.db2.gz VEFVQXYPRBVKHS-KRWDZBQOSA-N 0 1 386.286 2.946 20 10 GFCDMN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825768678 660441164 /nfs/dbraw/zinc/44/11/64/660441164.db2.gz VEFVQXYPRBVKHS-KRWDZBQOSA-N 0 1 386.286 2.946 20 10 GFCDMN Cc1cc(C(=O)N2CCN(Cc3cc(Br)ccc3O)[C@H](C)C2)n[nH]1 ZINC000835073319 660840199 /nfs/dbraw/zinc/84/01/99/660840199.db2.gz MBCRGWSJORXVQC-GFCCVEGCSA-N 0 1 393.285 2.533 20 10 GFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000119475959 655305230 /nfs/dbraw/zinc/30/52/30/655305230.db2.gz RQLDXZFVTVWNMY-LLVKDONJSA-N 0 1 399.310 2.995 20 10 GFCDMN CC[NH+](CC)CCSCC(=O)NCc1cccc(Br)c1[O-] ZINC000277385458 655316199 /nfs/dbraw/zinc/31/61/99/655316199.db2.gz AAIMOLFHCZAQEF-UHFFFAOYSA-N 0 1 375.332 2.846 20 10 GFCDMN C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000280325336 655329150 /nfs/dbraw/zinc/32/91/50/655329150.db2.gz QPWNPVGTQBZIJQ-ZDUSSCGKSA-N 0 1 392.091 2.615 20 10 GFCDMN CCN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000743870786 655732256 /nfs/dbraw/zinc/73/22/56/655732256.db2.gz AYRHRIXCKXJDJB-BETUJISGSA-N 0 1 385.302 2.612 20 10 GFCDMN CCN(CC(=O)N1CCOC[C@H]1C1CC1)Cc1cc(Br)ccc1O ZINC000766247724 656166509 /nfs/dbraw/zinc/16/65/09/656166509.db2.gz IIDKOYDQDVFNFW-INIZCTEOSA-N 0 1 397.313 2.614 20 10 GFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)nc2Cl)cc1 ZINC000800833917 659334796 /nfs/dbraw/zinc/33/47/96/659334796.db2.gz PHQUWEIGSHSUSF-UHFFFAOYSA-N 0 1 389.886 2.606 20 10 GFCDMN COC(=O)c1ccccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135644 659747674 /nfs/dbraw/zinc/74/76/74/659747674.db2.gz PODJEBFUKVBGCT-UHFFFAOYSA-N 0 1 390.244 2.964 20 10 GFCDMN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134630 659748000 /nfs/dbraw/zinc/74/80/00/659748000.db2.gz DYBNFOWKJXRULT-YPMHNXCESA-N 0 1 396.292 2.850 20 10 GFCDMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc21 ZINC000808115861 659878292 /nfs/dbraw/zinc/87/82/92/659878292.db2.gz VXEZRNVHNIMZCG-UHFFFAOYSA-N 0 1 384.816 2.895 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841992446 661319283 /nfs/dbraw/zinc/31/92/83/661319283.db2.gz WASCFPHBHAMDQC-MRXNPFEDSA-N 0 1 390.281 2.841 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000862536779 662290112 /nfs/dbraw/zinc/29/01/12/662290112.db2.gz VEVZQPGCCCLERK-KRWDZBQOSA-N 0 1 392.297 2.540 20 10 GFCDMN CC(=O)Nc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000864357399 662368147 /nfs/dbraw/zinc/36/81/47/662368147.db2.gz XXTPONFALHMNFJ-WJDWOHSUSA-N 0 1 375.519 2.940 20 10 GFCDMN Oc1c(F)cc(Br)cc1CN1CCN(c2ncc(F)cn2)CC1 ZINC000894465175 663463482 /nfs/dbraw/zinc/46/34/82/663463482.db2.gz XJGCNINRFMTJHJ-UHFFFAOYSA-N 0 1 385.212 2.545 20 10 GFCDMN C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Br)ccc1[O-] ZINC000903394990 663783489 /nfs/dbraw/zinc/78/34/89/663783489.db2.gz GHXJFXIXFXAOKP-JQWIXIFHSA-N 0 1 379.258 2.580 20 10 GFCDMN CN(C)c1ccc([C@H](CNS(=O)(=O)CCCC(C)(F)F)N(C)C)cc1 ZINC000908460685 664108814 /nfs/dbraw/zinc/10/88/14/664108814.db2.gz XLEIHMSGQJZWNV-INIZCTEOSA-N 0 1 377.501 2.710 20 10 GFCDMN COCCOc1ccc(NS(=O)(=O)c2cccc3nsnc32)c(C)c1 ZINC000055643711 551174069 /nfs/dbraw/zinc/17/40/69/551174069.db2.gz IGIIDMSSUGCJEG-UHFFFAOYSA-N 0 1 379.463 2.826 20 10 GFCDMN O=C(COCC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158084788 551546912 /nfs/dbraw/zinc/54/69/12/551546912.db2.gz QFJZZDIBCCOKCS-CYBMUJFWSA-N 0 1 380.794 2.705 20 10 GFCDMN NC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000377839405 563487589 /nfs/dbraw/zinc/48/75/89/563487589.db2.gz IWQGZQJVUMUNHW-MRVPVSSYSA-N 0 1 392.091 2.615 20 10 GFCDMN COc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1OC ZINC000299284967 563380571 /nfs/dbraw/zinc/38/05/71/563380571.db2.gz NNDPHBWWDNEZDI-LFIBNONCSA-N 0 1 378.519 2.999 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(Br)cc1[O-] ZINC000375516581 563407889 /nfs/dbraw/zinc/40/78/89/563407889.db2.gz DUIXIERWLOZXSP-OMXAPOSASA-N 0 1 393.285 2.559 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000363325250 563719360 /nfs/dbraw/zinc/71/93/60/563719360.db2.gz ANXRIQLKIGUSTQ-CQSZACIVSA-N 0 1 393.285 2.516 20 10 GFCDMN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc2nsnc21 ZINC000606827937 565970877 /nfs/dbraw/zinc/97/08/77/565970877.db2.gz KPFORZXPVSCETE-CYBMUJFWSA-N 0 1 377.447 2.660 20 10 GFCDMN C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Br)ccc1[O-] ZINC000093837742 655021404 /nfs/dbraw/zinc/02/14/04/655021404.db2.gz HHFJHXDSMTYWEH-UHFFFAOYSA-N 0 1 389.249 2.883 20 10 GFCDMN C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Br)ccc1[O-] ZINC000093837742 655021406 /nfs/dbraw/zinc/02/14/06/655021406.db2.gz HHFJHXDSMTYWEH-UHFFFAOYSA-N 0 1 389.249 2.883 20 10 GFCDMN C[C@H](CNCc1ccc(N2CCCCC2)c(Br)c1)S(C)(=O)=O ZINC000838983456 661067262 /nfs/dbraw/zinc/06/72/62/661067262.db2.gz UHJVOEURBJUTKJ-CYBMUJFWSA-N 0 1 389.359 2.962 20 10 GFCDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])[C@H]1COCC12OCCO2 ZINC000839176804 661074537 /nfs/dbraw/zinc/07/45/37/661074537.db2.gz OPXOUMWCSHSKCM-OAHLLOKOSA-N 0 1 386.286 2.660 20 10 GFCDMN CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1[O-] ZINC000274884512 655206031 /nfs/dbraw/zinc/20/60/31/655206031.db2.gz IFXLGWWVKPUGOD-HUUCEWRRSA-N 0 1 384.318 2.535 20 10 GFCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1Cl ZINC000768268808 656235961 /nfs/dbraw/zinc/23/59/61/656235961.db2.gz PFCRGFNFAHYBJV-UHFFFAOYSA-N 0 1 396.277 2.561 20 10 GFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])cn1 ZINC000770385838 656318058 /nfs/dbraw/zinc/31/80/58/656318058.db2.gz LBTIRCAYQLWWSZ-GDBMZVCRSA-N 0 1 380.286 2.976 20 10 GFCDMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000792702770 658313879 /nfs/dbraw/zinc/31/38/79/658313879.db2.gz ZTOZFJQBNZPVNY-UHFFFAOYSA-N 0 1 387.504 2.709 20 10 GFCDMN O=S(=O)(CC[NH2+]Cc1cc(Br)ccc1[O-])CCc1ccccc1 ZINC000800311481 659300238 /nfs/dbraw/zinc/30/02/38/659300238.db2.gz NRLIQCPZCZJITR-UHFFFAOYSA-N 0 1 398.322 2.902 20 10 GFCDMN COC(=O)CCCCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135280 659747943 /nfs/dbraw/zinc/74/79/43/659747943.db2.gz HYIPBGBUSYDCAH-UHFFFAOYSA-N 0 1 384.281 2.852 20 10 GFCDMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806322704 659829429 /nfs/dbraw/zinc/82/94/29/659829429.db2.gz CSJSZUPOKVXYSF-CQSZACIVSA-N 0 1 390.311 2.855 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000807511015 659857240 /nfs/dbraw/zinc/85/72/40/659857240.db2.gz CKDJTOCHWXUZBT-UHFFFAOYSA-N 0 1 381.219 2.621 20 10 GFCDMN Cn1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C(F)F ZINC000807513968 659857470 /nfs/dbraw/zinc/85/74/70/659857470.db2.gz ZRKWVPATHCHKTP-UHFFFAOYSA-N 0 1 393.177 2.625 20 10 GFCDMN COC(=O)c1nc2nc(C)cc(NCc3cc(Cl)cc(Cl)c3O)n2n1 ZINC000808089243 659875953 /nfs/dbraw/zinc/87/59/53/659875953.db2.gz JTEKTJODYZCCFP-UHFFFAOYSA-N 0 1 382.207 2.844 20 10 GFCDMN COC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115617 659878109 /nfs/dbraw/zinc/87/81/09/659878109.db2.gz LFTNCMYLRNUREX-UHFFFAOYSA-N 0 1 389.788 2.537 20 10 GFCDMN CN(C)C(=O)COc1ccccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809712807 659937068 /nfs/dbraw/zinc/93/70/68/659937068.db2.gz UZBKJHDXSPHCPE-UHFFFAOYSA-N 0 1 393.281 2.912 20 10 GFCDMN C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1[O-] ZINC000841752318 661311884 /nfs/dbraw/zinc/31/18/84/661311884.db2.gz ODHSNBFCWRWQEW-JTQLQIEISA-N 0 1 390.839 2.953 20 10 GFCDMN C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCN1 ZINC000843345228 661378452 /nfs/dbraw/zinc/37/84/52/661378452.db2.gz GHGNNEVJYBECFC-HLVNSREUSA-N 0 1 395.575 2.550 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000883049826 663047733 /nfs/dbraw/zinc/04/77/33/663047733.db2.gz WNGPDPAGHPOQID-HZPDHXFCSA-N 0 1 387.293 2.761 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)NCc3ncc(Cl)s3)cc2)CC1 ZINC000883810821 663061249 /nfs/dbraw/zinc/06/12/49/663061249.db2.gz XSAGKIOBGZRTLP-UHFFFAOYSA-N 0 1 379.917 2.548 20 10 GFCDMN C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2O)CCS1(=O)=O ZINC000894567855 663469314 /nfs/dbraw/zinc/46/93/14/663469314.db2.gz XJNDWCXOFQTQMR-SECBINFHSA-N 0 1 382.707 2.817 20 10 GFCDMN CN(C)c1ccc(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC000897979361 663628986 /nfs/dbraw/zinc/62/89/86/663628986.db2.gz ZORDOYXYHBHVJS-OAHLLOKOSA-N 0 1 375.270 2.563 20 10 GFCDMN COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(Br)cc1[O-])CCO2 ZINC000897998847 663629507 /nfs/dbraw/zinc/62/95/07/663629507.db2.gz YHWCXFWXCVPYHZ-IAGOWNOFSA-N 0 1 386.286 2.947 20 10 GFCDMN CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Br)ccc1[O-] ZINC000903396248 663783741 /nfs/dbraw/zinc/78/37/41/663783741.db2.gz LJTLGFXHBNOJRY-JSGCOSHPSA-N 0 1 393.285 2.970 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1ncccn1 ZINC000157081756 551533388 /nfs/dbraw/zinc/53/33/88/551533388.db2.gz YUTQWDJUDYAISZ-NSHDSACASA-N 0 1 379.258 2.794 20 10 GFCDMN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185007235 552350978 /nfs/dbraw/zinc/35/09/78/552350978.db2.gz QNOXACFVGGDDGI-ZDUSSCGKSA-N 0 1 398.345 2.796 20 10 GFCDMN COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000186128476 552380059 /nfs/dbraw/zinc/38/00/59/552380059.db2.gz SLPOXGIWSHHUOD-GFCCVEGCSA-N 0 1 385.302 2.833 20 10 GFCDMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)Cc1ccccc1O ZINC000735551726 598617779 /nfs/dbraw/zinc/61/77/79/598617779.db2.gz SFJNZXIGAMSCCU-LLVKDONJSA-N 0 1 386.843 2.685 20 10 GFCDMN Oc1ccccc1CN(Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CCCO1 ZINC000738401168 598702619 /nfs/dbraw/zinc/70/26/19/598702619.db2.gz PJXDOUMGIQZGBE-KRWDZBQOSA-N 0 1 383.427 2.893 20 10 GFCDMN O=C([O-])C[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000739785518 600145016 /nfs/dbraw/zinc/14/50/16/600145016.db2.gz OHKUBKWYQOTKQY-UHFFFAOYSA-N 0 1 397.880 2.796 20 10 GFCDMN Cc1cc(C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859668 601594127 /nfs/dbraw/zinc/59/41/27/601594127.db2.gz SMOUSMIDKHQUNE-GOSISDBHSA-N 0 1 397.475 2.705 20 10 GFCDMN Cc1cc(C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859668 601594129 /nfs/dbraw/zinc/59/41/29/601594129.db2.gz SMOUSMIDKHQUNE-GOSISDBHSA-N 0 1 397.475 2.705 20 10 GFCDMN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000832986429 604778906 /nfs/dbraw/zinc/77/89/06/604778906.db2.gz WRKWYJKCJFPZJK-ZDTYVGOBSA-N 0 1 386.408 2.700 20 10 GFCDMN Cc1cnc(C[N@H+](C)[C@@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000832986429 604778908 /nfs/dbraw/zinc/77/89/08/604778908.db2.gz WRKWYJKCJFPZJK-ZDTYVGOBSA-N 0 1 386.408 2.700 20 10 GFCDMN Oc1cc2c(cc1CN1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)CCC2 ZINC000826511019 608055132 /nfs/dbraw/zinc/05/51/32/608055132.db2.gz YAUWDEQDHFODIJ-HXUWFJFHSA-N 0 1 377.448 2.635 20 10 GFCDMN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824819075 660402843 /nfs/dbraw/zinc/40/28/43/660402843.db2.gz LKGDQZCACGDEHW-MRXNPFEDSA-N 0 1 380.286 2.834 20 10 GFCDMN CN(Cc1ccc(Br)cc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000824863872 660403738 /nfs/dbraw/zinc/40/37/38/660403738.db2.gz WXWWOASCSNZCJO-UKRRQHHQSA-N 0 1 376.316 2.942 20 10 GFCDMN Cn1cc(I)c(CNCc2c(O)ccc(Cl)c2F)n1 ZINC000825079635 660410127 /nfs/dbraw/zinc/41/01/27/660410127.db2.gz XUHLLKVJJAEHSA-UHFFFAOYSA-N 0 1 395.603 2.813 20 10 GFCDMN O=C(NCC(F)F)[C@@H]1CCCCN1Cc1cccc(Br)c1O ZINC000825068838 660409185 /nfs/dbraw/zinc/40/91/85/660409185.db2.gz YKFAYGZUICYDSK-LBPRGKRZSA-N 0 1 377.229 2.891 20 10 GFCDMN COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825278724 660418024 /nfs/dbraw/zinc/41/80/24/660418024.db2.gz PMAQCKCXNLHHKZ-KRWDZBQOSA-N 0 1 382.254 2.995 20 10 GFCDMN Cc1cc([O-])c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000825509422 660430638 /nfs/dbraw/zinc/43/06/38/660430638.db2.gz KKZSVYUSWGDBKI-UHFFFAOYSA-N 0 1 384.841 2.826 20 10 GFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825563319 660433421 /nfs/dbraw/zinc/43/34/21/660433421.db2.gz VKPOAHQCMPFGLX-SNVBAGLBSA-N 0 1 381.192 2.655 20 10 GFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825563319 660433422 /nfs/dbraw/zinc/43/34/22/660433422.db2.gz VKPOAHQCMPFGLX-SNVBAGLBSA-N 0 1 381.192 2.655 20 10 GFCDMN O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])c2ccccc21 ZINC000826030387 660448153 /nfs/dbraw/zinc/44/81/53/660448153.db2.gz YIKXOKIUJBUWAZ-GFCCVEGCSA-N 0 1 382.279 2.815 20 10 GFCDMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000826036846 660448449 /nfs/dbraw/zinc/44/84/49/660448449.db2.gz QPSBBCCMORQBEC-GXTWGEPZSA-N 0 1 375.266 2.936 20 10 GFCDMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000826036846 660448451 /nfs/dbraw/zinc/44/84/51/660448451.db2.gz QPSBBCCMORQBEC-GXTWGEPZSA-N 0 1 375.266 2.936 20 10 GFCDMN Cn1ncc(Cl)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830544278 660662778 /nfs/dbraw/zinc/66/27/78/660662778.db2.gz NNAZAMUKZKQPOR-ZDUSSCGKSA-N 0 1 383.279 2.827 20 10 GFCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1Cl ZINC000028257090 654571807 /nfs/dbraw/zinc/57/18/07/654571807.db2.gz WTKQMXXOBLRHLZ-UHFFFAOYSA-N 0 1 378.834 2.651 20 10 GFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740705163 655698515 /nfs/dbraw/zinc/69/85/15/655698515.db2.gz IPNBUIZBOSJMGS-UHFFFAOYSA-N 0 1 375.855 2.558 20 10 GFCDMN C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Br)cc1[O-] ZINC000840780095 661186909 /nfs/dbraw/zinc/18/69/09/661186909.db2.gz HURZUKACFBKGMM-AWEZNQCLSA-N 0 1 399.329 2.687 20 10 GFCDMN C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1[O-] ZINC000756528391 655901417 /nfs/dbraw/zinc/90/14/17/655901417.db2.gz YGVBRAFGMOMSSM-BBRMVZONSA-N 0 1 398.345 2.748 20 10 GFCDMN O=S(=O)(NCc1ccccc1O)c1cc(F)c(Br)cc1F ZINC000756966485 655907947 /nfs/dbraw/zinc/90/79/47/655907947.db2.gz SXGYQUHAVDMGIR-UHFFFAOYSA-N 0 1 378.194 2.911 20 10 GFCDMN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cccc(Br)c1O ZINC000763478598 656084123 /nfs/dbraw/zinc/08/41/23/656084123.db2.gz IPOJPFFTRKCHCM-OAHLLOKOSA-N 0 1 379.254 2.814 20 10 GFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])cn1 ZINC000770385849 656317896 /nfs/dbraw/zinc/31/78/96/656317896.db2.gz LBTIRCAYQLWWSZ-HOCLYGCPSA-N 0 1 380.286 2.976 20 10 GFCDMN O=S(=O)(c1ccccc1)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775639544 656658019 /nfs/dbraw/zinc/65/80/19/656658019.db2.gz VXJDGGFSKDUZGI-UHFFFAOYSA-N 0 1 384.860 2.691 20 10 GFCDMN CCC1(CC)CN(Cc2cccc(Br)c2O)CCS1(=O)=O ZINC000779225216 656907586 /nfs/dbraw/zinc/90/75/86/656907586.db2.gz PABUELCLRXZPJL-UHFFFAOYSA-N 0 1 376.316 2.944 20 10 GFCDMN Cn1nc(Br)cc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000785437253 657364785 /nfs/dbraw/zinc/36/47/85/657364785.db2.gz WAIKMIKURICMGH-UHFFFAOYSA-N 0 1 393.329 2.681 20 10 GFCDMN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000790050701 657921534 /nfs/dbraw/zinc/92/15/34/657921534.db2.gz XLFGPEMGCOPJNO-UHFFFAOYSA-N 0 1 384.841 2.557 20 10 GFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2SC)cc(F)c1F ZINC000792702644 658313543 /nfs/dbraw/zinc/31/35/43/658313543.db2.gz BUNBNIXJTDIJMV-UHFFFAOYSA-N 0 1 389.401 2.980 20 10 GFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2 ZINC000805135571 659748108 /nfs/dbraw/zinc/74/81/08/659748108.db2.gz OJQIJLLTFFXUFA-UHFFFAOYSA-N 0 1 376.217 2.906 20 10 GFCDMN CC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214123 659966653 /nfs/dbraw/zinc/96/66/53/659966653.db2.gz OWCCEWPBHWNIRY-TZMCWYRMSA-N 0 1 380.432 2.876 20 10 GFCDMN COCC[N@H+](Cc1cc(C)cc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC000848922501 661688983 /nfs/dbraw/zinc/68/89/83/661688983.db2.gz VCYHZILCXSQKOB-LBPRGKRZSA-N 0 1 386.208 2.835 20 10 GFCDMN COc1cc(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)sn1 ZINC000882197690 663020390 /nfs/dbraw/zinc/02/03/90/663020390.db2.gz LCZUYMVMNCRKKR-UHFFFAOYSA-N 0 1 383.278 2.784 20 10 GFCDMN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883091623 663048565 /nfs/dbraw/zinc/04/85/65/663048565.db2.gz SGNLYCDHTGLECZ-GFCCVEGCSA-N 0 1 390.753 2.924 20 10 GFCDMN CCOC(=O)[C@H](NCc1cc(Br)cc(F)c1O)[C@H]1CCCOC1 ZINC000894542057 663467822 /nfs/dbraw/zinc/46/78/22/663467822.db2.gz WNUXQGBAOSFQSD-IINYFYTJSA-N 0 1 390.249 2.742 20 10 GFCDMN COc1ccc(O)c([C@@H](C)NCc2cn(C)nc2I)c1 ZINC000894783892 663481422 /nfs/dbraw/zinc/48/14/22/663481422.db2.gz ZNSSTUKACAXDRR-SECBINFHSA-N 0 1 387.221 2.590 20 10 GFCDMN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000370831239 563257497 /nfs/dbraw/zinc/25/74/97/563257497.db2.gz SVUGNUCMDIGKOB-AWEZNQCLSA-N 0 1 390.281 2.622 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccnc1-n1cncn1 ZINC000376821148 563455527 /nfs/dbraw/zinc/45/55/27/563455527.db2.gz WXEJVUYURKTEQR-UHFFFAOYSA-N 0 1 379.207 2.996 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000368211635 563866359 /nfs/dbraw/zinc/86/63/59/563866359.db2.gz IAJQAPYBUDYYPE-IAQYHMDHSA-N 0 1 383.286 2.585 20 10 GFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824632226 660398314 /nfs/dbraw/zinc/39/83/14/660398314.db2.gz AFTQYAHQPGRLRK-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824632226 660398316 /nfs/dbraw/zinc/39/83/16/660398316.db2.gz AFTQYAHQPGRLRK-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825223032 660416151 /nfs/dbraw/zinc/41/61/51/660416151.db2.gz WJUFJIVNSNVRNI-MRXNPFEDSA-N 0 1 377.282 2.944 20 10 GFCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc(C)s2)c(F)c1 ZINC000830149879 660638178 /nfs/dbraw/zinc/63/81/78/660638178.db2.gz BJICHDDHKQHVKV-UHFFFAOYSA-N 0 1 393.487 2.543 20 10 GFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cnc2ccc(Br)cn12 ZINC000740764702 655699030 /nfs/dbraw/zinc/69/90/30/655699030.db2.gz CBVROYAVBPWGQG-ZSOIEALJSA-N 0 1 383.205 2.558 20 10 GFCDMN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756459462 655900267 /nfs/dbraw/zinc/90/02/67/655900267.db2.gz ONXDBHBPTZKZMY-CMPLNLGQSA-N 0 1 377.710 2.915 20 10 GFCDMN CCC[C@H]1CN(C(=O)NCCCSc2nccs2)CCN1CCOC ZINC000766819115 656184644 /nfs/dbraw/zinc/18/46/44/656184644.db2.gz OWTGBNBWGOCIIH-HNNXBMFYSA-N 0 1 386.587 2.768 20 10 GFCDMN COc1cc(OC)c(S(=O)(=O)Nc2ccc(O)cc2)cc1Br ZINC000776745240 656790516 /nfs/dbraw/zinc/79/05/16/656790516.db2.gz HDWWGOYMPGFGNZ-UHFFFAOYSA-N 0 1 388.239 2.973 20 10 GFCDMN C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000797117180 658983229 /nfs/dbraw/zinc/98/32/29/658983229.db2.gz KAYLKTPQRRNQJE-YPMHNXCESA-N 0 1 391.331 2.619 20 10 GFCDMN C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000797116254 658983427 /nfs/dbraw/zinc/98/34/27/658983427.db2.gz GNNRGUHGCGIIPU-YPMHNXCESA-N 0 1 391.331 2.619 20 10 GFCDMN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134627 659747789 /nfs/dbraw/zinc/74/77/89/659747789.db2.gz DYBNFOWKJXRULT-AAEUAGOBSA-N 0 1 396.292 2.850 20 10 GFCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H](C)N1CCOCC1 ZINC000805137400 659748567 /nfs/dbraw/zinc/74/85/67/659748567.db2.gz OPAXBBINFWJJEY-QWRGUYRKSA-N 0 1 376.284 2.607 20 10 GFCDMN NS(=O)(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806264665 659827991 /nfs/dbraw/zinc/82/79/91/659827991.db2.gz GHYAZBDZQKJAJN-UHFFFAOYSA-N 0 1 390.248 2.668 20 10 GFCDMN NS(=O)(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806345627 659829965 /nfs/dbraw/zinc/82/99/65/659829965.db2.gz GMCILNOWDFELFZ-UHFFFAOYSA-N 0 1 390.248 2.668 20 10 GFCDMN O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)C1CC1 ZINC000809784450 659939405 /nfs/dbraw/zinc/93/94/05/659939405.db2.gz KJOLAWYWLNEXOZ-LLVKDONJSA-N 0 1 393.336 2.993 20 10 GFCDMN Cc1cc(C(=O)OCCc2c[nH]nn2)c(C)n1-c1ccc(Br)cn1 ZINC000842720945 661350954 /nfs/dbraw/zinc/35/09/54/661350954.db2.gz CIFUXOGQKPGLDG-UHFFFAOYSA-N 0 1 390.241 2.769 20 10 GFCDMN Cc1cc(C(=O)OCCc2cnn[nH]2)c(C)n1-c1ccc(Br)cn1 ZINC000842720945 661350958 /nfs/dbraw/zinc/35/09/58/661350958.db2.gz CIFUXOGQKPGLDG-UHFFFAOYSA-N 0 1 390.241 2.769 20 10 GFCDMN COC(=O)[C@H](NCc1cccc(Br)c1O)[C@H]1CCC[C@H](OC)C1 ZINC000846107685 661532687 /nfs/dbraw/zinc/53/26/87/661532687.db2.gz KRLSPJAKMZMSTN-CORIIIEPSA-N 0 1 386.286 2.991 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C(C)(C)N)no1 ZINC000852852513 661875911 /nfs/dbraw/zinc/87/59/11/661875911.db2.gz ZVFPPCAPAADRJW-UHFFFAOYSA-N 0 1 382.258 2.999 20 10 GFCDMN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862425009 662287436 /nfs/dbraw/zinc/28/74/36/662287436.db2.gz KFBMLGCKSZRLSM-QGZVFWFLSA-N 0 1 396.285 2.670 20 10 GFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862425009 662287438 /nfs/dbraw/zinc/28/74/38/662287438.db2.gz KFBMLGCKSZRLSM-QGZVFWFLSA-N 0 1 396.285 2.670 20 10 GFCDMN COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895392063 663511708 /nfs/dbraw/zinc/51/17/08/663511708.db2.gz KNMPCBIMJKVQGQ-CQSZACIVSA-N 0 1 378.650 2.572 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000180647402 552232453 /nfs/dbraw/zinc/23/24/53/552232453.db2.gz QJZMBNVEWDAXMR-WBMJQRKESA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000180647402 552232457 /nfs/dbraw/zinc/23/24/57/552232457.db2.gz QJZMBNVEWDAXMR-WBMJQRKESA-N 0 1 380.286 2.834 20 10 GFCDMN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc(Br)ccc3[O-])C2=O)n(C)n1 ZINC000186082983 552378962 /nfs/dbraw/zinc/37/89/62/552378962.db2.gz QPJAVMMJRQXPHF-RISCZKNCSA-N 0 1 393.285 2.653 20 10 GFCDMN CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1=O ZINC000191637976 552534260 /nfs/dbraw/zinc/53/42/60/552534260.db2.gz APOGHFGBFHNVTD-CQSZACIVSA-N 0 1 393.285 2.656 20 10 GFCDMN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc(Br)cc1[O-] ZINC000371835568 563289044 /nfs/dbraw/zinc/28/90/44/563289044.db2.gz UGZWKVIPOVOVQN-KSSFIOAISA-N 0 1 399.329 2.687 20 10 GFCDMN CC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)ccc1[O-] ZINC000282913617 563429658 /nfs/dbraw/zinc/42/96/58/563429658.db2.gz XLUGIZFQHZXDPX-OAHLLOKOSA-N 0 1 388.302 2.754 20 10 GFCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000834161529 605610086 /nfs/dbraw/zinc/61/00/86/605610086.db2.gz ALOQIIZTQVSCJM-ALOPSCKCSA-N 0 1 377.460 2.815 20 10 GFCDMN CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825126124 660411713 /nfs/dbraw/zinc/41/17/13/660411713.db2.gz ONTBQFGDUCMHMA-UHFFFAOYSA-N 0 1 393.281 2.959 20 10 GFCDMN O=C(Nc1nncs1)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000825903740 660445510 /nfs/dbraw/zinc/44/55/10/660445510.db2.gz PZTSJNBQBXZSBJ-UHFFFAOYSA-N 0 1 397.298 2.857 20 10 GFCDMN O=C(Nc1nncs1)C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000825903740 660445513 /nfs/dbraw/zinc/44/55/13/660445513.db2.gz PZTSJNBQBXZSBJ-UHFFFAOYSA-N 0 1 397.298 2.857 20 10 GFCDMN CS(=O)(=O)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H]1C(F)(F)F ZINC000826893877 660470340 /nfs/dbraw/zinc/47/03/40/660470340.db2.gz FDJNZQKQZHGXNY-LDYMZIIASA-N 0 1 375.771 2.592 20 10 GFCDMN CN(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)S(C)(=O)=O ZINC000289325584 655346700 /nfs/dbraw/zinc/34/67/00/655346700.db2.gz GGXUGNHUZXSLLO-NSHDSACASA-N 0 1 381.325 2.802 20 10 GFCDMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1=CC(=O)CS1 ZINC000732282299 655594366 /nfs/dbraw/zinc/59/43/66/655594366.db2.gz DYDFYLDMCMTJJP-UHFFFAOYSA-N 0 1 379.239 2.931 20 10 GFCDMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1=CC(=O)CS1 ZINC000732282299 655594367 /nfs/dbraw/zinc/59/43/67/655594367.db2.gz DYDFYLDMCMTJJP-UHFFFAOYSA-N 0 1 379.239 2.931 20 10 GFCDMN O=C(CSc1n[nH]c(=S)s1)NCc1ccc(N2CCSCC2)cc1 ZINC000747358829 655777585 /nfs/dbraw/zinc/77/75/85/655777585.db2.gz CULPSRKNMVPGFE-UHFFFAOYSA-N 0 1 398.604 2.789 20 10 GFCDMN COc1ccc(N2CCN(C(=O)c3n[nH]c(C)c3Br)CC2)cc1F ZINC000753733250 655857731 /nfs/dbraw/zinc/85/77/31/655857731.db2.gz XJFWZUONGORJAD-UHFFFAOYSA-N 0 1 397.248 2.591 20 10 GFCDMN CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000775519652 656646866 /nfs/dbraw/zinc/64/68/66/656646866.db2.gz QDOPLFBUCARBPR-CQSZACIVSA-N 0 1 391.331 2.621 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781897169 657087093 /nfs/dbraw/zinc/08/70/93/657087093.db2.gz DEALSGCCYTYUES-KBPBESRZSA-N 0 1 399.329 2.826 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCNC1=O ZINC000799737878 659219252 /nfs/dbraw/zinc/21/92/52/659219252.db2.gz PMHOLOVEZGRWRW-NSHDSACASA-N 0 1 392.091 2.628 20 10 GFCDMN C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000804901492 659692342 /nfs/dbraw/zinc/69/23/42/659692342.db2.gz HKKZACYZXVMIEQ-TXEJJXNPSA-N 0 1 390.311 2.998 20 10 GFCDMN O=C(NCCC1CCS(=O)(=O)CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805250864 659760773 /nfs/dbraw/zinc/76/07/73/659760773.db2.gz ZNQVSDPZDLWFEZ-UHFFFAOYSA-N 0 1 395.308 2.713 20 10 GFCDMN CS(=O)(=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000805840139 659809133 /nfs/dbraw/zinc/80/91/33/659809133.db2.gz MAIUMELXHQXYLV-UHFFFAOYSA-N 0 1 395.308 2.856 20 10 GFCDMN COc1ncnc(N(C)C)c1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806353506 659830209 /nfs/dbraw/zinc/83/02/09/659830209.db2.gz OEZDPYCIFMFJAS-UHFFFAOYSA-N 0 1 386.239 2.885 20 10 GFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000843432202 661381246 /nfs/dbraw/zinc/38/12/46/661381246.db2.gz JLJNFQXVSGGZLL-CQSZACIVSA-N 0 1 395.219 2.964 20 10 GFCDMN COc1cc(OC)cc([C@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858141258 662101021 /nfs/dbraw/zinc/10/10/21/662101021.db2.gz NGFGCYXYDVATHR-QGZVFWFLSA-N 0 1 382.254 2.995 20 10 GFCDMN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862425008 662287523 /nfs/dbraw/zinc/28/75/23/662287523.db2.gz KFBMLGCKSZRLSM-KRWDZBQOSA-N 0 1 396.285 2.670 20 10 GFCDMN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862425008 662287525 /nfs/dbraw/zinc/28/75/25/662287525.db2.gz KFBMLGCKSZRLSM-KRWDZBQOSA-N 0 1 396.285 2.670 20 10 GFCDMN C[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])N1CCN(C)CC1 ZINC000882984742 663045966 /nfs/dbraw/zinc/04/59/66/663045966.db2.gz RTZJVHRUGNXTPB-LLVKDONJSA-N 0 1 376.726 2.534 20 10 GFCDMN CCC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893890639 663430207 /nfs/dbraw/zinc/43/02/07/663430207.db2.gz CROQWLYGVUDKCW-LBPRGKRZSA-N 0 1 380.279 2.693 20 10 GFCDMN Cc1cc(CN2CCN(Cc3cc(Br)cc(F)c3O)CC2)no1 ZINC000893909878 663431254 /nfs/dbraw/zinc/43/12/54/663431254.db2.gz GNZFTYCTNIICIS-UHFFFAOYSA-N 0 1 384.249 2.908 20 10 GFCDMN CC1(C)CS(=O)(=O)CCN1Cc1cc(Cl)cc(Br)c1O ZINC000894738133 663478178 /nfs/dbraw/zinc/47/81/78/663478178.db2.gz NWPCTQQPKSDTSM-UHFFFAOYSA-N 0 1 382.707 2.817 20 10 GFCDMN NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895440219 663514236 /nfs/dbraw/zinc/51/42/36/663514236.db2.gz QMKVCWAITKPPDS-UHFFFAOYSA-N 0 1 393.256 2.880 20 10 GFCDMN NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895440219 663514240 /nfs/dbraw/zinc/51/42/40/663514240.db2.gz QMKVCWAITKPPDS-UHFFFAOYSA-N 0 1 393.256 2.880 20 10 GFCDMN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000180681227 552232971 /nfs/dbraw/zinc/23/29/71/552232971.db2.gz JOHATUOFEMOCQV-MRVPVSSYSA-N 0 1 394.107 2.731 20 10 GFCDMN O=C(NC1CCN(Cc2cc(Br)ccc2O)CC1)c1ccc[nH]1 ZINC000371420652 563276755 /nfs/dbraw/zinc/27/67/55/563276755.db2.gz BNAFPXMHXHERSY-UHFFFAOYSA-N 0 1 378.270 2.877 20 10 GFCDMN CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000373460866 563338662 /nfs/dbraw/zinc/33/86/62/563338662.db2.gz LDQNWYJPJSWFMJ-HOTGVXAUSA-N 0 1 397.313 2.975 20 10 GFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2[O-])cn1 ZINC000824948227 660406035 /nfs/dbraw/zinc/40/60/35/660406035.db2.gz CKXGPVVPXWLQTD-WBVHZDCISA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(Br)cc2[O-])cn1 ZINC000824948227 660406037 /nfs/dbraw/zinc/40/60/37/660406037.db2.gz CKXGPVVPXWLQTD-WBVHZDCISA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc(I)c(CNCc2cc(Cl)c(F)cc2O)n1 ZINC000825079482 660409806 /nfs/dbraw/zinc/40/98/06/660409806.db2.gz VOOQVWVMYGMTNP-UHFFFAOYSA-N 0 1 395.603 2.813 20 10 GFCDMN O=S(=O)(NCC[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(Cl)s1 ZINC000127785909 654834176 /nfs/dbraw/zinc/83/41/76/654834176.db2.gz YDUWPARYZUTIIT-UHFFFAOYSA-N 0 1 381.306 2.829 20 10 GFCDMN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000273068870 655129414 /nfs/dbraw/zinc/12/94/14/655129414.db2.gz KGONXBUYBMGFJU-NSHDSACASA-N 0 1 399.310 2.914 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000174423420 655201962 /nfs/dbraw/zinc/20/19/62/655201962.db2.gz ZUVOMAAXOGIANK-WFASDCNBSA-N 0 1 385.302 2.660 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000839556746 661091690 /nfs/dbraw/zinc/09/16/90/661091690.db2.gz PVTHQLGJKPDQFC-UHFFFAOYSA-N 0 1 381.219 2.621 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321359 661252096 /nfs/dbraw/zinc/25/20/96/661252096.db2.gz GWPKKNJWIVTJED-UHFFFAOYSA-N 0 1 377.242 2.517 20 10 GFCDMN CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775521539 656647097 /nfs/dbraw/zinc/64/70/97/656647097.db2.gz YIPDMKRQDWIHHP-ZBFHGGJFSA-N 0 1 390.933 2.575 20 10 GFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000779195442 656904693 /nfs/dbraw/zinc/90/46/93/656904693.db2.gz FBJDTHSRGJVMPF-SNVBAGLBSA-N 0 1 395.219 2.964 20 10 GFCDMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1OC ZINC000790069641 657924078 /nfs/dbraw/zinc/92/40/78/657924078.db2.gz ZPAVIRDIHAXEEN-UHFFFAOYSA-N 0 1 385.825 2.950 20 10 GFCDMN OCCN(Cc1ccc(Br)s1)Cc1cc2c(cc1O)OCO2 ZINC000792196124 658248406 /nfs/dbraw/zinc/24/84/06/658248406.db2.gz KJDSOUIODDHGFX-UHFFFAOYSA-N 0 1 386.267 2.939 20 10 GFCDMN CCS(=O)(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000793208012 658371930 /nfs/dbraw/zinc/37/19/30/658371930.db2.gz WBYQZMOPYJUQLI-UHFFFAOYSA-N 0 1 380.535 2.668 20 10 GFCDMN COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000797882747 659063588 /nfs/dbraw/zinc/06/35/88/659063588.db2.gz HLZKDLGHUVLKMT-UHFFFAOYSA-N 0 1 393.281 2.612 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc2c1OCO2 ZINC000807511201 659857188 /nfs/dbraw/zinc/85/71/88/659857188.db2.gz HMSCMTKWPBCTJD-UHFFFAOYSA-N 0 1 383.187 2.683 20 10 GFCDMN CCOC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000807837737 659866953 /nfs/dbraw/zinc/86/69/53/659866953.db2.gz AZVPYRVDFNEKAE-UHFFFAOYSA-N 0 1 376.236 2.675 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCOCC2)nc1 ZINC000807839590 659867172 /nfs/dbraw/zinc/86/71/72/659867172.db2.gz IGNRCOZFQLIROG-UHFFFAOYSA-N 0 1 382.247 2.861 20 10 GFCDMN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808113736 659877651 /nfs/dbraw/zinc/87/76/51/659877651.db2.gz HXWAWMIGKSRXKH-UHFFFAOYSA-N 0 1 393.845 2.779 20 10 GFCDMN CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115638 659878055 /nfs/dbraw/zinc/87/80/55/659878055.db2.gz MIWIQFIMAFLRRI-UHFFFAOYSA-N 0 1 393.845 2.530 20 10 GFCDMN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1[O-] ZINC000841752319 661311715 /nfs/dbraw/zinc/31/17/15/661311715.db2.gz ODHSNBFCWRWQEW-SNVBAGLBSA-N 0 1 390.839 2.953 20 10 GFCDMN O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1cc(Br)cc(Br)c1O ZINC000846103374 661532652 /nfs/dbraw/zinc/53/26/52/661532652.db2.gz OVGDFYWBRMIUTE-LXIMFEHMSA-N 0 1 395.116 2.622 20 10 GFCDMN COc1ncc(Br)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000862484382 662288765 /nfs/dbraw/zinc/28/87/65/662288765.db2.gz MPEDBYINQUDIBM-UHFFFAOYSA-N 0 1 398.213 2.765 20 10 GFCDMN CC(=O)Nc1cccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000864357397 662368191 /nfs/dbraw/zinc/36/81/91/662368191.db2.gz XXTPONFALHMNFJ-LFIBNONCSA-N 0 1 375.519 2.940 20 10 GFCDMN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1[O-] ZINC000897986306 663629278 /nfs/dbraw/zinc/62/92/78/663629278.db2.gz BKYUUWDAHYWRKH-LBPRGKRZSA-N 0 1 380.242 2.763 20 10 GFCDMN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1c([O-])cccc1Br ZINC000922682600 664610630 /nfs/dbraw/zinc/61/06/30/664610630.db2.gz GTXLOLFGTAJJDL-UHFFFAOYSA-N 0 1 384.295 2.891 20 10 GFCDMN CN1CC[C@@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000928567057 664735173 /nfs/dbraw/zinc/73/51/73/664735173.db2.gz MEJMVUXSHQBEFU-XTCQQWIJSA-N 0 1 395.575 2.550 20 10 GFCDMN Cn1ccc(N2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)n1 ZINC000376350365 563439168 /nfs/dbraw/zinc/43/91/68/563439168.db2.gz KMNVQRVTTCROAJ-LBPRGKRZSA-N 0 1 384.267 2.511 20 10 GFCDMN O=C([O-])C[N@H+](CCC(=O)N1CCc2ccccc21)Cc1cc(Cl)ccc1O ZINC000739786460 600144700 /nfs/dbraw/zinc/14/47/00/600144700.db2.gz YTASTPVUIADLIY-UHFFFAOYSA-N 0 1 388.851 2.912 20 10 GFCDMN O=C([O-])/C=C\c1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000739623959 600177894 /nfs/dbraw/zinc/17/78/94/600177894.db2.gz HTHDNWOZSMKYQD-XOYLTFLUSA-N 0 1 397.431 2.548 20 10 GFCDMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000820427556 607055474 /nfs/dbraw/zinc/05/54/74/607055474.db2.gz SWXPRFVOJRKIJZ-AWEZNQCLSA-N 0 1 382.443 2.693 20 10 GFCDMN CCOc1cccc(CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000825649063 608853514 /nfs/dbraw/zinc/85/35/14/608853514.db2.gz KJLWPOJFKQAUGL-GOSISDBHSA-N 0 1 381.436 2.545 20 10 GFCDMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000824616479 660398286 /nfs/dbraw/zinc/39/82/86/660398286.db2.gz WJCNVDFQQWLZTM-GXTWGEPZSA-N 0 1 375.266 2.936 20 10 GFCDMN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000824738959 660400418 /nfs/dbraw/zinc/40/04/18/660400418.db2.gz UIEKZXRVUNTEKK-UHFFFAOYSA-N 0 1 399.310 2.695 20 10 GFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2[O-])cn1 ZINC000824948225 660405822 /nfs/dbraw/zinc/40/58/22/660405822.db2.gz CKXGPVVPXWLQTD-NVXWUHKLSA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(Br)cc2[O-])cn1 ZINC000824948225 660405826 /nfs/dbraw/zinc/40/58/26/660405826.db2.gz CKXGPVVPXWLQTD-NVXWUHKLSA-N 0 1 380.286 2.976 20 10 GFCDMN CCOC(=O)CC1(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000831544029 660712436 /nfs/dbraw/zinc/71/24/36/660712436.db2.gz RUAOXNOWIRAWRL-UHFFFAOYSA-N 0 1 382.265 2.604 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839738642 661103745 /nfs/dbraw/zinc/10/37/45/661103745.db2.gz BAOGSEKGWLUGBA-CQSZACIVSA-N 0 1 399.354 2.988 20 10 GFCDMN CCN(C)c1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cn1 ZINC000190400524 655391762 /nfs/dbraw/zinc/39/17/62/655391762.db2.gz AOSSPMDPOZDFST-RVDMUPIBSA-N 0 1 376.551 2.833 20 10 GFCDMN CC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000192564754 655405884 /nfs/dbraw/zinc/40/58/84/655405884.db2.gz HQXKOICKTBJFPL-AWEZNQCLSA-N 0 1 391.331 2.619 20 10 GFCDMN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000753729602 655857649 /nfs/dbraw/zinc/85/76/49/655857649.db2.gz HGSHHRYCVOLGSN-HOCLYGCPSA-N 0 1 386.945 2.795 20 10 GFCDMN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000769999687 656303652 /nfs/dbraw/zinc/30/36/52/656303652.db2.gz BLXSMJIIYOVCQN-STQMWFEESA-N 0 1 388.325 2.970 20 10 GFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])cn1 ZINC000770385856 656318015 /nfs/dbraw/zinc/31/80/15/656318015.db2.gz LBTIRCAYQLWWSZ-ZBFHGGJFSA-N 0 1 380.286 2.976 20 10 GFCDMN O=S(=O)(NCC[NH2+]Cc1c([O-])cccc1Cl)c1ccc(F)cc1Cl ZINC000800894660 659344133 /nfs/dbraw/zinc/34/41/33/659344133.db2.gz FMEPORRCUSSLSS-UHFFFAOYSA-N 0 1 393.267 2.906 20 10 GFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCCO2 ZINC000805134878 659747361 /nfs/dbraw/zinc/74/73/61/659747361.db2.gz AXTOSOVAYYMXDO-UHFFFAOYSA-N 0 1 390.244 2.949 20 10 GFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc2c1OCO2 ZINC000805134756 659747385 /nfs/dbraw/zinc/74/73/85/659747385.db2.gz IFIYGKHGDCJAAT-UHFFFAOYSA-N 0 1 376.217 2.906 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc2c1CCO2 ZINC000807512266 659857266 /nfs/dbraw/zinc/85/72/66/659857266.db2.gz QIXKTQCDVIRENI-UHFFFAOYSA-N 0 1 381.215 2.889 20 10 GFCDMN COc1ccc(CNCc2cc(Br)cc(OC)c2O)c(OC)n1 ZINC000810177690 659965428 /nfs/dbraw/zinc/96/54/28/659965428.db2.gz VIWDPFQGVHQIQG-UHFFFAOYSA-N 0 1 383.242 2.865 20 10 GFCDMN CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227884 659967100 /nfs/dbraw/zinc/96/71/00/659967100.db2.gz MDBHNKRWDHONBN-FZMZJTMJSA-N 0 1 380.432 2.733 20 10 GFCDMN CCN(OC)C(=O)CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000842770344 661353302 /nfs/dbraw/zinc/35/33/02/661353302.db2.gz REMMGHLJMUWFMS-UHFFFAOYSA-N 0 1 384.318 2.939 20 10 GFCDMN COc1cc(Br)cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1O ZINC000843040950 661365365 /nfs/dbraw/zinc/36/53/65/661365365.db2.gz MXGHOFOURBPJET-UHFFFAOYSA-N 0 1 388.258 2.619 20 10 GFCDMN CS(=O)(=O)Cc1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858117547 662099484 /nfs/dbraw/zinc/09/94/84/662099484.db2.gz RQNYDEMOLBSSRJ-UHFFFAOYSA-N 0 1 384.295 2.989 20 10 GFCDMN Cc1cc(C(=O)N2CCN(Cc3c(O)cccc3Br)[C@H](C)C2)n[nH]1 ZINC000862388368 662284356 /nfs/dbraw/zinc/28/43/56/662284356.db2.gz APEYOTRPRXFGPE-GFCCVEGCSA-N 0 1 393.285 2.533 20 10 GFCDMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cccc(Br)c3O)C2)cn1 ZINC000874051116 662821444 /nfs/dbraw/zinc/82/14/44/662821444.db2.gz OGXRFACYJMMJGW-STQMWFEESA-N 0 1 394.269 2.579 20 10 GFCDMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3O)C2)cn1 ZINC000874051116 662821446 /nfs/dbraw/zinc/82/14/46/662821446.db2.gz OGXRFACYJMMJGW-STQMWFEESA-N 0 1 394.269 2.579 20 10 GFCDMN CC[N@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000876794024 662866527 /nfs/dbraw/zinc/86/65/27/662866527.db2.gz KTXJHSLRIMBXIZ-UHFFFAOYSA-N 0 1 399.310 2.824 20 10 GFCDMN CC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000876794024 662866528 /nfs/dbraw/zinc/86/65/28/662866528.db2.gz KTXJHSLRIMBXIZ-UHFFFAOYSA-N 0 1 399.310 2.824 20 10 GFCDMN CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877536279 662878382 /nfs/dbraw/zinc/87/83/82/662878382.db2.gz YRIDSFBIPFKUCI-GFCCVEGCSA-N 0 1 376.469 2.552 20 10 GFCDMN O=C1NCCN1Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000877735155 662882700 /nfs/dbraw/zinc/88/27/00/662882700.db2.gz PFMQODFBIXQSGZ-UHFFFAOYSA-N 0 1 390.281 2.970 20 10 GFCDMN CN1CCN(CCC[N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000883185496 663051051 /nfs/dbraw/zinc/05/10/51/663051051.db2.gz XZOSGFPZCOEHFE-UHFFFAOYSA-N 0 1 390.753 2.877 20 10 GFCDMN CN1CCN(CCC[N@@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000883185496 663051052 /nfs/dbraw/zinc/05/10/52/663051052.db2.gz XZOSGFPZCOEHFE-UHFFFAOYSA-N 0 1 390.753 2.877 20 10 GFCDMN C[C@H](CS(C)(=O)=O)N(Cc1cc(Br)cc(F)c1O)C1CC1 ZINC000894025262 663437904 /nfs/dbraw/zinc/43/79/04/663437904.db2.gz BCHMKBSTIFJEFC-SECBINFHSA-N 0 1 380.279 2.691 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898186533 663637552 /nfs/dbraw/zinc/63/75/52/663637552.db2.gz DBQTXHUBGNRJRY-MNOVXSKESA-N 0 1 383.055 2.822 20 10 GFCDMN O=C(NCc1cccc(Br)c1O)C1CCC(N2CCOCC2)CC1 ZINC000907758992 664059646 /nfs/dbraw/zinc/05/96/46/664059646.db2.gz WSIUVDFJQGGSAI-UHFFFAOYSA-N 0 1 397.313 2.662 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000180647422 552232309 /nfs/dbraw/zinc/23/23/09/552232309.db2.gz QJZMBNVEWDAXMR-BLLLJJGKSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000180647422 552232310 /nfs/dbraw/zinc/23/23/10/552232310.db2.gz QJZMBNVEWDAXMR-BLLLJJGKSA-N 0 1 380.286 2.834 20 10 GFCDMN COC(=O)c1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000299287636 563380466 /nfs/dbraw/zinc/38/04/66/563380466.db2.gz OIWMAZWCZSLGFO-RVDMUPIBSA-N 0 1 376.503 2.769 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(c2ccccn2)C1 ZINC000366244879 563802850 /nfs/dbraw/zinc/80/28/50/563802850.db2.gz CSKSHIOITAGVPK-LLVKDONJSA-N 0 1 380.231 2.763 20 10 GFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000739794154 600953749 /nfs/dbraw/zinc/95/37/49/600953749.db2.gz VNNJWOGVAJZGTF-INIZCTEOSA-N 0 1 390.823 2.958 20 10 GFCDMN Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858985 601121462 /nfs/dbraw/zinc/12/14/62/601121462.db2.gz MXEGKTMGWCHKON-INIZCTEOSA-N 0 1 397.475 2.562 20 10 GFCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858985 601121463 /nfs/dbraw/zinc/12/14/63/601121463.db2.gz MXEGKTMGWCHKON-INIZCTEOSA-N 0 1 397.475 2.562 20 10 GFCDMN Cc1cc(C(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858640 601594971 /nfs/dbraw/zinc/59/49/71/601594971.db2.gz LIEQQMFRJFFWND-CXAGYDPISA-N 0 1 397.475 2.561 20 10 GFCDMN Cc1cc(C(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858640 601594972 /nfs/dbraw/zinc/59/49/72/601594972.db2.gz LIEQQMFRJFFWND-CXAGYDPISA-N 0 1 397.475 2.561 20 10 GFCDMN COc1cc(-c2nn[nH]n2)ccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826168457 608372567 /nfs/dbraw/zinc/37/25/67/608372567.db2.gz NNQDSJJIVFJBRN-GOSISDBHSA-N 0 1 395.463 2.762 20 10 GFCDMN O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])c2ccccc21 ZINC000824515033 660395475 /nfs/dbraw/zinc/39/54/75/660395475.db2.gz CVXCZXLUVHJRMB-GFCCVEGCSA-N 0 1 382.279 2.815 20 10 GFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2[O-])cn1 ZINC000824948226 660406076 /nfs/dbraw/zinc/40/60/76/660406076.db2.gz CKXGPVVPXWLQTD-RDJZCZTQSA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2[O-])cn1 ZINC000824948226 660406077 /nfs/dbraw/zinc/40/60/77/660406077.db2.gz CKXGPVVPXWLQTD-RDJZCZTQSA-N 0 1 380.286 2.976 20 10 GFCDMN C[C@@H](NCc1nn(C)cc1I)c1cc(F)cc(F)c1O ZINC000834901177 660837542 /nfs/dbraw/zinc/83/75/42/660837542.db2.gz YBEVOIFKNXXORB-SSDOTTSWSA-N 0 1 393.175 2.859 20 10 GFCDMN NC(=O)CCNC(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000130195402 654883173 /nfs/dbraw/zinc/88/31/73/654883173.db2.gz OORCXYIWMVSVGY-UHFFFAOYSA-N 0 1 382.247 2.916 20 10 GFCDMN C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cccc(Br)c1[O-] ZINC000093837841 655021266 /nfs/dbraw/zinc/02/12/66/655021266.db2.gz YZIJDSGTYVWGHU-UHFFFAOYSA-N 0 1 389.249 2.883 20 10 GFCDMN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cccc(Br)c2O)cn1 ZINC000754155036 655864473 /nfs/dbraw/zinc/86/44/73/655864473.db2.gz UHJVIFHASBCLQC-NPMXOYFQSA-N 0 1 398.326 2.677 20 10 GFCDMN C[C@@H]1CN(C)C(=O)CN1Cc1cc(Br)cc(Br)c1O ZINC000783733208 657255969 /nfs/dbraw/zinc/25/59/69/657255969.db2.gz KXAVMSPASDZMLF-MRVPVSSYSA-N 0 1 392.091 2.580 20 10 GFCDMN COC(=O)[C@H](NCc1cccc(Br)c1O)c1ccc(OC)c(O)c1 ZINC000792180679 658246029 /nfs/dbraw/zinc/24/60/29/658246029.db2.gz NMTLKPRRUSDEBS-OAHLLOKOSA-N 0 1 396.237 2.873 20 10 GFCDMN CC(C)(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCOCC1 ZINC000804858693 659689972 /nfs/dbraw/zinc/68/99/72/659689972.db2.gz DVNMGSLDHYBALI-UHFFFAOYSA-N 0 1 376.284 2.609 20 10 GFCDMN CS(=O)(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806208283 659827389 /nfs/dbraw/zinc/82/73/89/659827389.db2.gz MKZCNOAYIRDQJB-UHFFFAOYSA-N 0 1 390.248 2.819 20 10 GFCDMN Cn1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C1CC1 ZINC000807511026 659857149 /nfs/dbraw/zinc/85/71/49/659857149.db2.gz CUKSVNRBYHIYHC-UHFFFAOYSA-N 0 1 383.235 2.565 20 10 GFCDMN NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000808089084 659876019 /nfs/dbraw/zinc/87/60/19/659876019.db2.gz HGVHYZQCPZMZRO-UHFFFAOYSA-N 0 1 392.220 2.867 20 10 GFCDMN Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816515702 660159275 /nfs/dbraw/zinc/15/92/75/660159275.db2.gz ICTZHJSDWGJGEA-UHFFFAOYSA-N 0 1 386.876 2.903 20 10 GFCDMN O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccs1 ZINC000816557777 660161049 /nfs/dbraw/zinc/16/10/49/660161049.db2.gz BBMMNPSWXFNWHE-HNNXBMFYSA-N 0 1 377.487 2.531 20 10 GFCDMN COC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000852470669 661865505 /nfs/dbraw/zinc/86/55/05/661865505.db2.gz WSJCPCBSFLYZJZ-CQSZACIVSA-N 0 1 377.268 2.940 20 10 GFCDMN O=S1(=O)C[C@@H](C[NH2+]Cc2c([O-])cccc2Br)c2ccccc21 ZINC000858169829 662102642 /nfs/dbraw/zinc/10/26/42/662102642.db2.gz DRFSVXPPLFTDQM-LLVKDONJSA-N 0 1 382.279 2.815 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000858499203 662113606 /nfs/dbraw/zinc/11/36/06/662113606.db2.gz ZXANXOFPVHUFML-LERXQTSPSA-N 0 1 391.331 2.666 20 10 GFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@]3(C)Br)cc2F)CC1 ZINC000859260712 662148554 /nfs/dbraw/zinc/14/85/54/662148554.db2.gz CWRBLDXKFITCKB-KDOFPFPSSA-N 0 1 398.320 2.757 20 10 GFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Br)cn1 ZINC000862251909 662277805 /nfs/dbraw/zinc/27/78/05/662277805.db2.gz ACRKVCHOXVVPMQ-CXAGYDPISA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2c([O-])cccc2Br)cn1 ZINC000862251909 662277809 /nfs/dbraw/zinc/27/78/09/662277809.db2.gz ACRKVCHOXVVPMQ-CXAGYDPISA-N 0 1 380.286 2.976 20 10 GFCDMN COc1cc(O)c(CNCc2cc(Br)cnc2OC)cc1OC ZINC000862484510 662288743 /nfs/dbraw/zinc/28/87/43/662288743.db2.gz RZCQUGRXAZRRKI-UHFFFAOYSA-N 0 1 383.242 2.865 20 10 GFCDMN CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Br)ccc1[O-] ZINC000866572234 662480980 /nfs/dbraw/zinc/48/09/80/662480980.db2.gz MJZBBOROXSBJQO-LBPRGKRZSA-N 0 1 379.320 2.510 20 10 GFCDMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Br)ccc3O)C2)cn1 ZINC000874049857 662821384 /nfs/dbraw/zinc/82/13/84/662821384.db2.gz JUWQEKSOHDTRIE-DGCLKSJQSA-N 0 1 394.269 2.579 20 10 GFCDMN [O-]c1cc(Br)cnc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000892620507 663378997 /nfs/dbraw/zinc/37/89/97/663378997.db2.gz AZYWQBBEXCNPFB-UHFFFAOYSA-N 0 1 396.260 2.815 20 10 GFCDMN COC(=O)CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCOCC1 ZINC000894065102 663440453 /nfs/dbraw/zinc/44/04/53/663440453.db2.gz QYDWEEQEHMEPHL-UHFFFAOYSA-N 0 1 390.249 2.838 20 10 GFCDMN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)c1Cl ZINC000898372462 663645025 /nfs/dbraw/zinc/64/50/25/663645025.db2.gz SPJNNSLMUHQSML-NSHDSACASA-N 0 1 399.676 2.672 20 10 GFCDMN CC[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Br)ccc1[O-] ZINC000903396247 663783708 /nfs/dbraw/zinc/78/37/08/663783708.db2.gz LJTLGFXHBNOJRY-GXTWGEPZSA-N 0 1 393.285 2.970 20 10 GFCDMN CN(C)c1ccnc(CNC(=O)NCc2cc(Br)ccc2O)c1 ZINC000924667988 664659375 /nfs/dbraw/zinc/65/93/75/664659375.db2.gz BMPAVKCPHBROCO-UHFFFAOYSA-N 0 1 379.258 2.615 20 10 GFCDMN C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000185431504 552363183 /nfs/dbraw/zinc/36/31/83/552363183.db2.gz YORKIZJSFFNMOV-SNVBAGLBSA-N 0 1 384.395 2.744 20 10 GFCDMN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(Br)cc3[O-])C2=O)n(C)n1 ZINC000186083617 552378968 /nfs/dbraw/zinc/37/89/68/552378968.db2.gz XGZVLGLIWKIQDN-RISCZKNCSA-N 0 1 393.285 2.653 20 10 GFCDMN CCOC1CC(C[NH2+]Cc2cc(Br)ccc2[O-])(N2CCOCC2)C1 ZINC000195458926 553049396 /nfs/dbraw/zinc/04/93/96/553049396.db2.gz XKVBQSNYAFDPAV-UHFFFAOYSA-N 0 1 399.329 2.514 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(Br)cc1[O-] ZINC000375516580 563408274 /nfs/dbraw/zinc/40/82/74/563408274.db2.gz DUIXIERWLOZXSP-MNRXQERYSA-N 0 1 393.285 2.559 20 10 GFCDMN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000832986423 604778804 /nfs/dbraw/zinc/77/88/04/604778804.db2.gz WRKWYJKCJFPZJK-CSPWOOARSA-N 0 1 386.408 2.700 20 10 GFCDMN Cc1cnc(C[N@H+](C)[C@@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000832986423 604778806 /nfs/dbraw/zinc/77/88/06/604778806.db2.gz WRKWYJKCJFPZJK-CSPWOOARSA-N 0 1 386.408 2.700 20 10 GFCDMN CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1C(=O)[O-] ZINC000833684677 604951098 /nfs/dbraw/zinc/95/10/98/604951098.db2.gz NWZKWFKEBSAMOW-KRWDZBQOSA-N 0 1 398.459 2.734 20 10 GFCDMN CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1C(=O)[O-] ZINC000833684677 604951101 /nfs/dbraw/zinc/95/11/01/604951101.db2.gz NWZKWFKEBSAMOW-KRWDZBQOSA-N 0 1 398.459 2.734 20 10 GFCDMN C[C@H](c1ccccc1)[N@@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1O ZINC000833549685 605078077 /nfs/dbraw/zinc/07/80/77/605078077.db2.gz RSZHYSRJWUNTRN-MRXNPFEDSA-N 0 1 380.448 2.874 20 10 GFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511016 608582216 /nfs/dbraw/zinc/58/22/16/608582216.db2.gz XYFOTDDMCYHVES-UHFFFAOYSA-N 0 1 384.871 2.938 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000825096217 660410519 /nfs/dbraw/zinc/41/05/19/660410519.db2.gz CROIPGQYIWEYIB-UHFFFAOYSA-N 0 1 378.270 2.676 20 10 GFCDMN COc1cc(Br)cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124016 660411711 /nfs/dbraw/zinc/41/17/11/660411711.db2.gz GKKNKSKSGOTRRH-OQPBUACISA-N 0 1 384.192 2.908 20 10 GFCDMN Cc1cccc(CN2CCC(n3nncc3I)CC2)c1O ZINC000827280011 660487604 /nfs/dbraw/zinc/48/76/04/660487604.db2.gz CUZMLNIXZRDBJN-UHFFFAOYSA-N 0 1 398.248 2.734 20 10 GFCDMN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000055583542 654778396 /nfs/dbraw/zinc/77/83/96/654778396.db2.gz 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CN1CCN(c2ccc(CNC(=O)c3nscc3Br)cc2)CC1 ZINC000881854931 663006204 /nfs/dbraw/zinc/00/62/04/663006204.db2.gz LPZSNMCVCJAFRD-UHFFFAOYSA-N 0 1 395.326 2.587 20 10 GFCDMN CCN(Cc1c2c(nn1C)CCOC2)Cc1cc(Br)ccc1O ZINC000892195104 663365433 /nfs/dbraw/zinc/36/54/33/663365433.db2.gz MQTNNFKSQZZTSL-UHFFFAOYSA-N 0 1 380.286 2.983 20 10 GFCDMN O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895250795 663505214 /nfs/dbraw/zinc/50/52/14/663505214.db2.gz CIXUWMVQFHRMCG-LLVKDONJSA-N 0 1 375.650 2.835 20 10 GFCDMN O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895250795 663505215 /nfs/dbraw/zinc/50/52/15/663505215.db2.gz CIXUWMVQFHRMCG-LLVKDONJSA-N 0 1 375.650 2.835 20 10 GFCDMN CN(c1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1)S(C)(=O)=O ZINC000898285918 663642123 /nfs/dbraw/zinc/64/21/23/663642123.db2.gz ADVIIMWZHQPOOZ-UHFFFAOYSA-N 0 1 399.310 2.840 20 10 GFCDMN CCOC(=O)Cn1cccc(NCc2cc(Br)cc(F)c2O)c1=O ZINC000902229858 663757392 /nfs/dbraw/zinc/75/73/92/663757392.db2.gz XIIDENRQWVKNKC-UHFFFAOYSA-N 0 1 399.216 2.631 20 10 GFCDMN C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc(Br)cc1[O-] ZINC000903394284 663783474 /nfs/dbraw/zinc/78/34/74/663783474.db2.gz CCOZFOTTZYHYIB-PWSUYJOCSA-N 0 1 379.258 2.580 20 10 GFCDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000917761922 664490002 /nfs/dbraw/zinc/49/00/02/664490002.db2.gz MXUIFJIOPLXGAQ-UHFFFAOYSA-N 0 1 382.869 2.986 20 10 GFCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1O ZINC000359958365 209207728 /nfs/dbraw/zinc/20/77/28/209207728.db2.gz JMWBVLZLHOYGNY-UHFFFAOYSA-N 0 1 379.844 2.745 20 10 GFCDMN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000184979334 552350280 /nfs/dbraw/zinc/35/02/80/552350280.db2.gz OAIHBKMDFCUUCG-NSHDSACASA-N 0 1 391.331 2.619 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186022026 552376635 /nfs/dbraw/zinc/37/66/35/552376635.db2.gz BYRVWURURZRTRW-GZMMTYOYSA-N 0 1 381.192 2.969 20 10 GFCDMN CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000377094084 563463164 /nfs/dbraw/zinc/46/31/64/563463164.db2.gz SXTSSTHDQXCKQQ-ZDUSSCGKSA-N 0 1 389.279 2.589 20 10 GFCDMN CCOCC[N@H+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CC ZINC000737177807 600214269 /nfs/dbraw/zinc/21/42/69/600214269.db2.gz SQIDBSLEKUQHAD-IOBAAEILSA-N 0 1 377.441 2.630 20 10 GFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])c1O ZINC000737677024 600704640 /nfs/dbraw/zinc/70/46/40/600704640.db2.gz HLFNARKRGBFDNW-ZDUSSCGKSA-N 0 1 375.446 2.724 20 10 GFCDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000833506238 604769630 /nfs/dbraw/zinc/76/96/30/604769630.db2.gz VUZNDUVSAJISBG-GOSISDBHSA-N 0 1 379.457 2.895 20 10 GFCDMN CCOCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824560213 660396877 /nfs/dbraw/zinc/39/68/77/660396877.db2.gz CWZBUSBLIMACLF-UHFFFAOYSA-N 0 1 399.329 2.910 20 10 GFCDMN CCOc1ccc(N2CCN(Cc3cccc(Br)c3O)CC2)nn1 ZINC000827793496 660515640 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CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1 ZINC000740813220 655699510 /nfs/dbraw/zinc/69/95/10/655699510.db2.gz YHWHOMVKSAJPIS-UHFFFAOYSA-N 0 1 387.458 2.563 20 10 GFCDMN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4cnn(C)c4)cs3)ccc2O1 ZINC000743046902 655725721 /nfs/dbraw/zinc/72/57/21/655725721.db2.gz OQSOWVCBIQJYBZ-JTQLQIEISA-N 0 1 376.463 2.668 20 10 GFCDMN CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cc(Br)ccc1[O-] ZINC000760841987 655992979 /nfs/dbraw/zinc/99/29/79/655992979.db2.gz UJOBFWOPOJYCMS-LBPRGKRZSA-N 0 1 376.316 2.801 20 10 GFCDMN CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cc(Br)ccc1[O-] ZINC000760841987 655992981 /nfs/dbraw/zinc/99/29/81/655992981.db2.gz UJOBFWOPOJYCMS-LBPRGKRZSA-N 0 1 376.316 2.801 20 10 GFCDMN COC(=O)[C@H]1CSCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000840975999 661222836 /nfs/dbraw/zinc/22/28/36/661222836.db2.gz CHWBGUZFFCDZBL-LLVKDONJSA-N 0 1 390.299 2.501 20 10 GFCDMN COc1cc(Br)cc(CN(C)Cc2cccc(C(N)=O)c2)c1O ZINC000768926841 656260993 /nfs/dbraw/zinc/26/09/93/656260993.db2.gz QZQGGUTZLVGWTJ-UHFFFAOYSA-N 0 1 379.254 2.894 20 10 GFCDMN O=C(CCOCC(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000790788121 658023196 /nfs/dbraw/zinc/02/31/96/658023196.db2.gz RFAUNIMWCKKDER-CQSZACIVSA-N 0 1 376.831 2.798 20 10 GFCDMN COc1ccc(CNC(=O)c2cc(Br)cc3nc[nH]c32)c(O)c1 ZINC000800560703 659317014 /nfs/dbraw/zinc/31/70/14/659317014.db2.gz ZWSXWMMJMFUZHH-UHFFFAOYSA-N 0 1 376.210 2.970 20 10 GFCDMN CCn1nc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807512678 659857123 /nfs/dbraw/zinc/85/71/23/659857123.db2.gz CYVUYZMDGJPNJF-UHFFFAOYSA-N 0 1 385.251 2.787 20 10 GFCDMN CS(=O)(=O)c1ccccc1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841395 659867048 /nfs/dbraw/zinc/86/70/48/659867048.db2.gz ZWHNSATVBUVAHP-UHFFFAOYSA-N 0 1 388.272 2.961 20 10 GFCDMN Cc1cc(C(=O)N2CCN[C@@H](C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843345267 661378444 /nfs/dbraw/zinc/37/84/44/661378444.db2.gz QQHGIZXARNDKAS-NSHDSACASA-N 0 1 377.286 2.686 20 10 GFCDMN Cc1cc(C(=O)NCCN2CCC2)c(C)n1-c1ccc(Br)cn1 ZINC000843835686 661393838 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CC[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H](C)S1(=O)=O ZINC000894760436 663480106 /nfs/dbraw/zinc/48/01/06/663480106.db2.gz KPOBKCZTLCNLOA-CABZTGNLSA-N 0 1 380.279 2.691 20 10 GFCDMN COc1cc(Br)cc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895843421 663529970 /nfs/dbraw/zinc/52/99/70/663529970.db2.gz HWYNIDNCFAXXJM-ZDUSSCGKSA-N 0 1 384.192 2.910 20 10 GFCDMN CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000896249624 663546672 /nfs/dbraw/zinc/54/66/72/663546672.db2.gz LICGSUWKRHUPGA-UHFFFAOYSA-N 0 1 376.316 2.848 20 10 GFCDMN CCOC(=O)C1([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)CCOCC1 ZINC000897740974 663618182 /nfs/dbraw/zinc/61/81/82/663618182.db2.gz KJORDSQHBAXJJQ-GFCCVEGCSA-N 0 1 386.286 2.993 20 10 GFCDMN CN(c1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1)S(C)(=O)=O ZINC000898282565 663641885 /nfs/dbraw/zinc/64/18/85/663641885.db2.gz GRNGZYDDVFCAOC-UHFFFAOYSA-N 0 1 399.310 2.840 20 10 GFCDMN CN1CCC(N2C(=O)C(=Cc3cccc4[nH]c(=O)oc43)SC2=S)CC1 ZINC000899261028 663681634 /nfs/dbraw/zinc/68/16/34/663681634.db2.gz 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661771910 /nfs/dbraw/zinc/77/19/10/661771910.db2.gz LXIYOIXATRQGBO-UHFFFAOYSA-N 0 1 394.317 2.994 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862253535 662278439 /nfs/dbraw/zinc/27/84/39/662278439.db2.gz OWIBDXJQXBOQAV-WBMJQRKESA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862253535 662278443 /nfs/dbraw/zinc/27/84/43/662278443.db2.gz OWIBDXJQXBOQAV-WBMJQRKESA-N 0 1 380.286 2.834 20 10 GFCDMN O=C1NCCN1Cc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000865814623 662445144 /nfs/dbraw/zinc/44/51/44/662445144.db2.gz MRZHFTZLTMWVFB-UHFFFAOYSA-N 0 1 390.281 2.970 20 10 GFCDMN NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cccc(Br)c1[O-])C2 ZINC000877680319 662881754 /nfs/dbraw/zinc/88/17/54/662881754.db2.gz VLHZTVPENNVRJW-UHFFFAOYSA-N 0 1 375.266 2.741 20 10 GFCDMN O=C(c1cc(NCc2cc(Cl)cc(Cl)c2O)ccn1)N1CCOCC1 ZINC000882372268 663025950 /nfs/dbraw/zinc/02/59/50/663025950.db2.gz FGNRGYFDVZWARI-UHFFFAOYSA-N 0 1 382.247 2.600 20 10 GFCDMN O=S1(=O)CCN(Cc2cc(Br)cc(F)c2O)[C@@H]2CCCC[C@@H]21 ZINC000894025263 663438104 /nfs/dbraw/zinc/43/81/04/663438104.db2.gz UVPKXMUMZRDZPW-KGLIPLIRSA-N 0 1 392.290 2.835 20 10 GFCDMN CCOC(=O)[C@H](NCc1cc(Br)cc(F)c1O)[C@@H]1CCCOC1 ZINC000894542058 663467909 /nfs/dbraw/zinc/46/79/09/663467909.db2.gz WNUXQGBAOSFQSD-QMTHXVAHSA-N 0 1 390.249 2.742 20 10 GFCDMN CS(=O)(=O)CC1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000894852105 663485134 /nfs/dbraw/zinc/48/51/34/663485134.db2.gz RLTJTIVFEJDESP-UHFFFAOYSA-N 0 1 380.279 2.550 20 10 GFCDMN Cn1cc(CNCc2cc(Cl)ccc2O)c(I)n1 ZINC000895141247 663500625 /nfs/dbraw/zinc/50/06/25/663500625.db2.gz WMYOZCMBVLVFRS-UHFFFAOYSA-N 0 1 377.613 2.674 20 10 GFCDMN O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895250797 663505345 /nfs/dbraw/zinc/50/53/45/663505345.db2.gz CIXUWMVQFHRMCG-NSHDSACASA-N 0 1 375.650 2.835 20 10 GFCDMN O=C1OCCN1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895250797 663505348 /nfs/dbraw/zinc/50/53/48/663505348.db2.gz CIXUWMVQFHRMCG-NSHDSACASA-N 0 1 375.650 2.835 20 10 GFCDMN COc1cc(Br)cc(CN2CCC(N3CCCOC3=O)CC2)c1O ZINC000897591648 663612701 /nfs/dbraw/zinc/61/27/01/663612701.db2.gz OGRIDXPJVFMLFZ-UHFFFAOYSA-N 0 1 399.285 2.970 20 10 GFCDMN CN1CC[C@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000928567054 664735106 /nfs/dbraw/zinc/73/51/06/664735106.db2.gz MEJMVUXSHQBEFU-GVIGZQTCSA-N 0 1 395.575 2.550 20 10 GFCDMN CN(Cc1cc(Br)ccc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646513 551195076 /nfs/dbraw/zinc/19/50/76/551195076.db2.gz MDQILFAYKYDZPX-ZFWWWQNUSA-N 0 1 376.316 2.942 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000186082436 552378570 /nfs/dbraw/zinc/37/85/70/552378570.db2.gz HVVXCNCOVFLSHS-SMDDNHRTSA-N 0 1 393.285 2.734 20 10 GFCDMN C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000368211634 563866290 /nfs/dbraw/zinc/86/62/90/563866290.db2.gz IAJQAPYBUDYYPE-ABAIWWIYSA-N 0 1 383.286 2.585 20 10 GFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000738400395 598628741 /nfs/dbraw/zinc/62/87/41/598628741.db2.gz FJLSIGVGHFORKZ-OAHLLOKOSA-N 0 1 385.859 2.697 20 10 GFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000738400395 598628743 /nfs/dbraw/zinc/62/87/43/598628743.db2.gz FJLSIGVGHFORKZ-OAHLLOKOSA-N 0 1 385.859 2.697 20 10 GFCDMN CCOc1ccc(CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(O)c1 ZINC000825638856 608849511 /nfs/dbraw/zinc/84/95/11/608849511.db2.gz QEEHJVUCQPPKMA-IBGZPJMESA-N 0 1 381.436 2.545 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000822948920 660358788 /nfs/dbraw/zinc/35/87/88/660358788.db2.gz BRPYZZIMYBTKFL-BDAKNGLRSA-N 0 1 385.169 2.630 20 10 GFCDMN O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCCN1Cc1ccccn1 ZINC000825489228 660429948 /nfs/dbraw/zinc/42/99/48/660429948.db2.gz FSGXPKZVOXVCNX-INIZCTEOSA-N 0 1 390.281 2.831 20 10 GFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1C ZINC000055668560 654780112 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COCCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000120156739 655329593 /nfs/dbraw/zinc/32/95/93/655329593.db2.gz MYEMWKVCEPOWFS-ZDUSSCGKSA-N 0 1 382.309 2.725 20 10 GFCDMN Cc1nnc(NC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000732233808 655593720 /nfs/dbraw/zinc/59/37/20/655593720.db2.gz YCRWYCREYMZWLV-CYBMUJFWSA-N 0 1 381.889 2.992 20 10 GFCDMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(N2CCOCC2)cc1 ZINC000747365792 655777824 /nfs/dbraw/zinc/77/78/24/655777824.db2.gz ARPKZVWQBNZVEV-NSHDSACASA-N 0 1 396.563 2.633 20 10 GFCDMN Oc1c(Br)cccc1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000769237082 656267920 /nfs/dbraw/zinc/26/79/20/656267920.db2.gz AEZNVGDNFPPUCY-ZDUSSCGKSA-N 0 1 380.242 2.989 20 10 GFCDMN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000769999683 656303609 /nfs/dbraw/zinc/30/36/09/656303609.db2.gz BLXSMJIIYOVCQN-CHWSQXEVSA-N 0 1 388.325 2.970 20 10 GFCDMN Cc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)ccc1O ZINC000771219554 656343623 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COC(=O)[C@@H](NCc1cc(Br)cc(Br)c1O)C1CC1 ZINC000789571848 657867213 /nfs/dbraw/zinc/86/72/13/657867213.db2.gz BYKDDRZJFBYONV-NSHDSACASA-N 0 1 393.075 2.958 20 10 GFCDMN O=S(=O)(c1ccccc1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792157396 658241700 /nfs/dbraw/zinc/24/17/00/658241700.db2.gz WBLAFCNKQRGANM-UHFFFAOYSA-N 0 1 384.860 2.691 20 10 GFCDMN O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000796498178 658920160 /nfs/dbraw/zinc/92/01/60/658920160.db2.gz BVPHLVSKFSEYAG-UHFFFAOYSA-N 0 1 389.249 2.931 20 10 GFCDMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808114983 659877968 /nfs/dbraw/zinc/87/79/68/659877968.db2.gz JYURWVAJPOBMJW-UHFFFAOYSA-N 0 1 386.832 2.664 20 10 GFCDMN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816558076 660161370 /nfs/dbraw/zinc/16/13/70/660161370.db2.gz MDKJCTPYRZWUKF-UHFFFAOYSA-N 0 1 376.503 2.983 20 10 GFCDMN Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1ccc(Br)cn1 ZINC000843811065 661393216 /nfs/dbraw/zinc/39/32/16/661393216.db2.gz 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660440528 /nfs/dbraw/zinc/44/05/28/660440528.db2.gz CKQUNZGYIPVTTA-UHFFFAOYSA-N 0 1 386.286 2.946 20 10 GFCDMN CN(Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014285148 654505699 /nfs/dbraw/zinc/50/56/99/654505699.db2.gz BVEXKVNECQAMIC-CYBMUJFWSA-N 0 1 384.295 2.927 20 10 GFCDMN O=C(c1ccccc1O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000091924195 655010880 /nfs/dbraw/zinc/01/08/80/655010880.db2.gz SFMNQGULIXDQNQ-UHFFFAOYSA-N 0 1 391.265 2.818 20 10 GFCDMN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093147664 655017592 /nfs/dbraw/zinc/01/75/92/655017592.db2.gz CVJVSVAGCZQAKA-MRXNPFEDSA-N 0 1 382.346 2.757 20 10 GFCDMN NC(=O)c1ccc(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)nc1 ZINC000271062595 655065510 /nfs/dbraw/zinc/06/55/10/655065510.db2.gz HOKXSVWBENZDNY-UHFFFAOYSA-N 0 1 381.263 2.515 20 10 GFCDMN Cn1nccc1[C@@H](CO)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000839184821 661075557 /nfs/dbraw/zinc/07/55/57/661075557.db2.gz YRYMBZDBRWDGRE-MRXNPFEDSA-N 0 1 393.329 2.996 20 10 GFCDMN COc1cc(Br)cc(CN2CCC(C(=O)N3CCCC3)CC2)c1O ZINC000179819041 655317912 /nfs/dbraw/zinc/31/79/12/655317912.db2.gz SUMRVWGCMKIUDQ-UHFFFAOYSA-N 0 1 397.313 2.998 20 10 GFCDMN CN(C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)S(C)(=O)=O ZINC000289325579 655346692 /nfs/dbraw/zinc/34/66/92/655346692.db2.gz GGXUGNHUZXSLLO-LLVKDONJSA-N 0 1 381.325 2.802 20 10 GFCDMN C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756400012 655899341 /nfs/dbraw/zinc/89/93/41/655899341.db2.gz SUAWQUZZMPWMLM-GFCCVEGCSA-N 0 1 388.325 2.970 20 10 GFCDMN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756459469 655900332 /nfs/dbraw/zinc/90/03/32/655900332.db2.gz ONXDBHBPTZKZMY-ZYHUDNBSSA-N 0 1 377.710 2.915 20 10 GFCDMN C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000756837050 655905904 /nfs/dbraw/zinc/90/59/04/655905904.db2.gz FJTDOAMBITYCSL-ZIBATOQPSA-N 0 1 393.285 2.733 20 10 GFCDMN CCN(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1cc(Br)ccc1O ZINC000766247727 656166492 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CNS(=O)(=O)c1csc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807839808 659867152 /nfs/dbraw/zinc/86/71/52/659867152.db2.gz REPTZZBWEFDQSE-UHFFFAOYSA-N 0 1 395.289 2.599 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1conc1C(C)(C)N ZINC000848405737 661645795 /nfs/dbraw/zinc/64/57/95/661645795.db2.gz WUPRXNJPQWNNGY-UHFFFAOYSA-N 0 1 382.258 2.999 20 10 GFCDMN COc1cc(Br)cc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1O ZINC000848919352 661688934 /nfs/dbraw/zinc/68/89/34/661688934.db2.gz WHOBQCXJWOUQKE-INIZCTEOSA-N 0 1 397.313 2.900 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H](n1cncn1)C(F)(F)F ZINC000868884660 662623642 /nfs/dbraw/zinc/62/36/42/662623642.db2.gz JXQIWIYDTNMSAJ-JTQLQIEISA-N 0 1 398.172 2.893 20 10 GFCDMN CN(C)C(=O)Cn1cc(NCc2cc(Cl)cc(Br)c2O)cn1 ZINC000882966835 663045639 /nfs/dbraw/zinc/04/56/39/663045639.db2.gz PGQSQHAWYRWYKN-UHFFFAOYSA-N 0 1 387.665 2.705 20 10 GFCDMN C[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])CN1CCN(C)CC1 ZINC000882980028 663045895 /nfs/dbraw/zinc/04/58/95/663045895.db2.gz WSJDAOYBRUVMKC-GFCCVEGCSA-N 0 1 390.753 2.781 20 10 GFCDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000894868772 663485676 /nfs/dbraw/zinc/48/56/76/663485676.db2.gz GOIRANLYHGWCPD-KGLIPLIRSA-N 0 1 375.694 2.713 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000895192725 663502424 /nfs/dbraw/zinc/50/24/24/663502424.db2.gz KOFAHOLGZWPXDY-OAHLLOKOSA-N 0 1 387.293 2.981 20 10 GFCDMN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000180681206 552232761 /nfs/dbraw/zinc/23/27/61/552232761.db2.gz JOHATUOFEMOCQV-QMMMGPOBSA-N 0 1 394.107 2.731 20 10 GFCDMN C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000186081917 552378120 /nfs/dbraw/zinc/37/81/20/552378120.db2.gz FPIKHVYPUSJMJL-FZMZJTMJSA-N 0 1 393.285 2.734 20 10 GFCDMN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])CC2 ZINC000186103383 552379500 /nfs/dbraw/zinc/37/95/00/552379500.db2.gz PBIQUYINXZEZDR-ZYHUDNBSSA-N 0 1 381.274 2.558 20 10 GFCDMN CN1CCC(N2C(=O)/C(=C\c3cccc4c3OCCO4)SC2=S)CC1 ZINC000299271498 563380058 /nfs/dbraw/zinc/38/00/58/563380058.db2.gz JPLGTEIQUJGPSF-RVDMUPIBSA-N 0 1 376.503 2.753 20 10 GFCDMN Cn1cc(N2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)cn1 ZINC000376349616 563439130 /nfs/dbraw/zinc/43/91/30/563439130.db2.gz IZZIQBOOYWVSPY-GFCCVEGCSA-N 0 1 384.267 2.511 20 10 GFCDMN Cc1cnn(C[C@@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)c1 ZINC000738813017 600431497 /nfs/dbraw/zinc/43/14/97/600431497.db2.gz YTUZDJVKDSTAIU-INIZCTEOSA-N 0 1 381.432 2.650 20 10 GFCDMN O=C([O-])C[N@@H+](CCN1CCOCC1)Cc1cc2oc3ccccc3c2cc1O ZINC000833248285 600985207 /nfs/dbraw/zinc/98/52/07/600985207.db2.gz MAQUINNODBORRC-UHFFFAOYSA-N 0 1 384.432 2.510 20 10 GFCDMN O=C([O-])C[N@H+](CCN1CCOCC1)Cc1cc2oc3ccccc3c2cc1O ZINC000833248285 600985208 /nfs/dbraw/zinc/98/52/08/600985208.db2.gz MAQUINNODBORRC-UHFFFAOYSA-N 0 1 384.432 2.510 20 10 GFCDMN CN1CC(C[N@@H+](C)Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000827125302 660479882 /nfs/dbraw/zinc/47/98/82/660479882.db2.gz IUDJOPZZPSCNIT-UHFFFAOYSA-N 0 1 378.108 2.911 20 10 GFCDMN C[C@H](NCc1nn(C)cc1I)c1cc(F)cc(F)c1O ZINC000834901178 660837524 /nfs/dbraw/zinc/83/75/24/660837524.db2.gz YBEVOIFKNXXORB-ZETCQYMHSA-N 0 1 393.175 2.859 20 10 GFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000055639152 654779925 /nfs/dbraw/zinc/77/99/25/654779925.db2.gz LZIANBKGRWKOQY-UHFFFAOYSA-N 0 1 376.406 2.527 20 10 GFCDMN NC(=O)c1cccnc1N1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000133174006 654955511 /nfs/dbraw/zinc/95/55/11/654955511.db2.gz NPOBBRQVAMPQEV-UHFFFAOYSA-N 0 1 381.263 2.515 20 10 GFCDMN OCCN1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000838781365 661056786 /nfs/dbraw/zinc/05/67/86/661056786.db2.gz URRXSMWBIVETKU-UHFFFAOYSA-N 0 1 382.346 2.549 20 10 GFCDMN CCCC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000160765426 655124188 /nfs/dbraw/zinc/12/41/88/655124188.db2.gz RNJBHQGUWJWFTP-ZDUSSCGKSA-N 0 1 376.862 2.743 20 10 GFCDMN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000756481535 655900488 /nfs/dbraw/zinc/90/04/88/655900488.db2.gz AQFFGELEMNEFSL-GFCCVEGCSA-N 0 1 399.310 2.784 20 10 GFCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000781897052 657087039 /nfs/dbraw/zinc/08/70/39/657087039.db2.gz BYOOWWSBOZFUJJ-HNNXBMFYSA-N 0 1 390.318 2.697 20 10 GFCDMN CNS(=O)(=O)c1cccc2c1CCN(Cc1c(O)ccc(Cl)c1F)C2 ZINC000793610277 658415052 /nfs/dbraw/zinc/41/50/52/658415052.db2.gz SAOHURLQTVQSJQ-UHFFFAOYSA-N 0 1 384.860 2.651 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2c(c1)COC2 ZINC000807513151 659857560 /nfs/dbraw/zinc/85/75/60/659857560.db2.gz HTBMTKCPQHYXKG-UHFFFAOYSA-N 0 1 381.215 2.984 20 10 GFCDMN O=C(CN1C(=O)COc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000807834777 659866588 /nfs/dbraw/zinc/86/65/88/659866588.db2.gz PYXWTTSWULBYRE-UHFFFAOYSA-N 0 1 381.215 2.741 20 10 GFCDMN CC(C)(C)C(=O)Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1 ZINC000807838980 659866830 /nfs/dbraw/zinc/86/68/30/659866830.db2.gz DQBRLIQPHIDJQY-UHFFFAOYSA-N 0 1 385.251 2.836 20 10 GFCDMN O=C(CN1C(=O)c2ccccc2C1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837995 659866859 /nfs/dbraw/zinc/86/68/59/659866859.db2.gz HFOXSDJLVGZKNJ-UHFFFAOYSA-N 0 1 379.199 2.611 20 10 GFCDMN Cc1cc(C(=O)N2CCNC[C@H]2C)c(C)n1-c1ccc(Br)cn1 ZINC000843322878 661377979 /nfs/dbraw/zinc/37/79/79/661377979.db2.gz FLECKXBRZOZLLI-GFCCVEGCSA-N 0 1 377.286 2.686 20 10 GFCDMN COc1ncc(Br)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000858249341 662106244 /nfs/dbraw/zinc/10/62/44/662106244.db2.gz OTTXJTLCCXVCBB-UHFFFAOYSA-N 0 1 392.297 2.979 20 10 GFCDMN CN1CCCc2cc(CNCc3ccc(Cl)c(S(N)(=O)=O)c3)ccc21 ZINC000865437405 662421475 /nfs/dbraw/zinc/42/14/75/662421475.db2.gz KVGKNKUFUMGAPR-UHFFFAOYSA-N 0 1 379.913 2.660 20 10 GFCDMN CCOC(=O)[C@H](NCc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000894541198 663467807 /nfs/dbraw/zinc/46/78/07/663467807.db2.gz PRWORZVRCLIQHX-CQSZACIVSA-N 0 1 390.249 2.742 20 10 GFCDMN NC(=O)[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1c1ccccc1 ZINC000895006267 663494671 /nfs/dbraw/zinc/49/46/71/663494671.db2.gz FULQIDYWBBTXLR-LSDHHAIUSA-N 0 1 375.266 2.856 20 10 GFCDMN COCCO[C@]12CCC[C@@]1([NH2+]Cc1c([O-])cccc1Br)CCO2 ZINC000897997747 663629489 /nfs/dbraw/zinc/62/94/89/663629489.db2.gz JXQFHLAPDSOGOV-IAGOWNOFSA-N 0 1 386.286 2.947 20 10 GFCDMN COC(=O)c1cc(C2CN(Cc3cc(Br)cc(C)c3O)C2)[nH]n1 ZINC000898004602 663630079 /nfs/dbraw/zinc/63/00/79/663630079.db2.gz ISIGNVSQHCQLAC-UHFFFAOYSA-N 0 1 380.242 2.572 20 10 GFCDMN CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000903362969 663782684 /nfs/dbraw/zinc/78/26/84/663782684.db2.gz KQKHPBRMDGLZEH-UKRRQHHQSA-N 0 1 381.416 2.655 20 10 GFCDMN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185007254 552350883 /nfs/dbraw/zinc/35/08/83/552350883.db2.gz QNOXACFVGGDDGI-CYBMUJFWSA-N 0 1 398.345 2.796 20 10 GFCDMN C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000185431485 552363139 /nfs/dbraw/zinc/36/31/39/552363139.db2.gz YORKIZJSFFNMOV-JTQLQIEISA-N 0 1 384.395 2.744 20 10 GFCDMN CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000373460868 563338786 /nfs/dbraw/zinc/33/87/86/563338786.db2.gz LDQNWYJPJSWFMJ-JKSUJKDBSA-N 0 1 397.313 2.975 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000377089549 563462798 /nfs/dbraw/zinc/46/27/98/563462798.db2.gz DMBGOZPYJIFMJZ-LLVKDONJSA-N 0 1 378.277 2.530 20 10 GFCDMN CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000366537140 563812575 /nfs/dbraw/zinc/81/25/75/563812575.db2.gz VJNJBHCQGJMDPV-CYBMUJFWSA-N 0 1 376.862 2.743 20 10 GFCDMN CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000366537140 563812578 /nfs/dbraw/zinc/81/25/78/563812578.db2.gz VJNJBHCQGJMDPV-CYBMUJFWSA-N 0 1 376.862 2.743 20 10 GFCDMN O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000367206381 563836264 /nfs/dbraw/zinc/83/62/64/563836264.db2.gz QINUPMVJGAXOJX-GFCCVEGCSA-N 0 1 386.926 2.908 20 10 GFCDMN O=C([O-])/C=C/c1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000739623957 600177956 /nfs/dbraw/zinc/17/79/56/600177956.db2.gz HTHDNWOZSMKYQD-JCOOBLOPSA-N 0 1 397.431 2.548 20 10 GFCDMN Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000738690391 600315178 /nfs/dbraw/zinc/31/51/78/600315178.db2.gz SLVARBPCFXORHM-KRWDZBQOSA-N 0 1 393.867 2.989 20 10 GFCDMN Cc1cnn(C[C@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)c1 ZINC000738813021 600431552 /nfs/dbraw/zinc/43/15/52/600431552.db2.gz YTUZDJVKDSTAIU-MRXNPFEDSA-N 0 1 381.432 2.650 20 10 GFCDMN CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826800643 604914734 /nfs/dbraw/zinc/91/47/34/604914734.db2.gz PEZOIYHXTIKAMV-HZPDHXFCSA-N 0 1 397.903 2.809 20 10 GFCDMN COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(Br)cc2[O-])cc1O ZINC000825922020 660445828 /nfs/dbraw/zinc/44/58/28/660445828.db2.gz FEXOVLDSXANWDH-CYBMUJFWSA-N 0 1 396.281 2.810 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000827537476 660501324 /nfs/dbraw/zinc/50/13/24/660501324.db2.gz DEGKPSCBEZAWRH-IAGOWNOFSA-N 0 1 381.314 2.888 20 10 GFCDMN CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1[O-] ZINC000274884513 655205968 /nfs/dbraw/zinc/20/59/68/655205968.db2.gz IFXLGWWVKPUGOD-LSDHHAIUSA-N 0 1 384.318 2.535 20 10 GFCDMN CCN1CCN(c2ccc(CNC(=O)C3SCCCS3)cc2F)CC1 ZINC000841108814 661233779 /nfs/dbraw/zinc/23/37/79/661233779.db2.gz GXMMPKCMKLSBRJ-UHFFFAOYSA-N 0 1 383.558 2.780 20 10 GFCDMN O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)cc2nc[nH]c21 ZINC000800518388 659314014 /nfs/dbraw/zinc/31/40/14/659314014.db2.gz ALNDXDLUSDNLFP-UHFFFAOYSA-N 0 1 376.210 2.709 20 10 GFCDMN O=C(NCCNC(=O)c1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000804902570 659692595 /nfs/dbraw/zinc/69/25/95/659692595.db2.gz LMXKWFBBXFVVBH-UHFFFAOYSA-N 0 1 382.247 2.928 20 10 GFCDMN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000806849528 659843213 /nfs/dbraw/zinc/84/32/13/659843213.db2.gz NLKNPJAGLABRDG-NEPJUHHUSA-N 0 1 395.308 2.854 20 10 GFCDMN O=C(Cn1cc(Br)cn1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836970 659866630 /nfs/dbraw/zinc/86/66/30/659866630.db2.gz WBZBLZUEQXDBNY-UHFFFAOYSA-N 0 1 379.041 2.974 20 10 GFCDMN Cc1ccc2ncc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c(=O)n2c1 ZINC000807836743 659866649 /nfs/dbraw/zinc/86/66/49/659866649.db2.gz NFIIWDCDGAVHJR-UHFFFAOYSA-N 0 1 378.215 2.945 20 10 GFCDMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1F ZINC000808115868 659878245 /nfs/dbraw/zinc/87/82/45/659878245.db2.gz WEJKRTWELGXRJL-UHFFFAOYSA-N 0 1 377.752 2.911 20 10 GFCDMN C[C@H](O)[C@H](NCc1cccc(Br)c1O)C(=O)OCc1ccccc1 ZINC000816626320 660163446 /nfs/dbraw/zinc/16/34/46/660163446.db2.gz DHYBVCWTYNDHFA-LRDDRELGSA-N 0 1 394.265 2.737 20 10 GFCDMN Cc1cc(C(=O)N2CCN[C@H](C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843345266 661378364 /nfs/dbraw/zinc/37/83/64/661378364.db2.gz QQHGIZXARNDKAS-LLVKDONJSA-N 0 1 377.286 2.686 20 10 GFCDMN C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000850519450 661780785 /nfs/dbraw/zinc/78/07/85/661780785.db2.gz MVRPQBLNALBARF-MRVPVSSYSA-N 0 1 390.221 2.782 20 10 GFCDMN CCc1noc(C[C@@]2(O)CCCN(Cc3cc(Br)ccc3O)C2)n1 ZINC000856593570 662037269 /nfs/dbraw/zinc/03/72/69/662037269.db2.gz UJXPEDGGBWGOGA-KRWDZBQOSA-N 0 1 396.285 2.670 20 10 GFCDMN COc1cc(Br)cc(CN[C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862432826 662287686 /nfs/dbraw/zinc/28/76/86/662287686.db2.gz ORTGJTVNLHCBOD-KRWDZBQOSA-N 0 1 382.254 2.866 20 10 GFCDMN CCCOc1ccc(CNC[C@@H](O)CS(=O)(=O)c2cccs2)cc1C ZINC000873096680 662799672 /nfs/dbraw/zinc/79/96/72/662799672.db2.gz USQACEOFJMOFDO-MRXNPFEDSA-N 0 1 383.535 2.770 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)c3occc3Br)cc2)CC1 ZINC000881850878 663006062 /nfs/dbraw/zinc/00/60/62/663006062.db2.gz JIDTVZGNUIBKFK-UHFFFAOYSA-N 0 1 378.270 2.724 20 10 GFCDMN C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)cc(Br)c1O ZINC000894566243 663469250 /nfs/dbraw/zinc/46/92/50/663469250.db2.gz KYSYHRXPAHFIJP-SECBINFHSA-N 0 1 382.707 2.817 20 10 GFCDMN CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000894666530 663475160 /nfs/dbraw/zinc/47/51/60/663475160.db2.gz ICBBUBOYKAYRST-GFCCVEGCSA-N 0 1 380.279 2.693 20 10 GFCDMN Oc1c(F)cc(Br)cc1CN1CCn2c(CC3CC3)nnc2C1 ZINC000895134740 663500367 /nfs/dbraw/zinc/50/03/67/663500367.db2.gz LURRDSJTCYRMFU-UHFFFAOYSA-N 0 1 381.249 2.854 20 10 GFCDMN O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(Cc3cc(F)cc(F)c3O)C[C@H]21 ZINC000898454053 663650382 /nfs/dbraw/zinc/65/03/82/663650382.db2.gz QLPVQVQJSFYAQC-TZMCWYRMSA-N 0 1 385.354 2.612 20 10 GFCDMN CCN1CCN(c2ccc(CNCc3nc(Br)c[nH]3)cc2F)CC1 ZINC000921704897 664562552 /nfs/dbraw/zinc/56/25/52/664562552.db2.gz NXNWVFHLJOSVTQ-UHFFFAOYSA-N 0 1 396.308 2.743 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1ncccn1 ZINC000157081903 551533159 /nfs/dbraw/zinc/53/31/59/551533159.db2.gz YUTQWDJUDYAISZ-LLVKDONJSA-N 0 1 379.258 2.794 20 10 GFCDMN C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186022081 552376918 /nfs/dbraw/zinc/37/69/18/552376918.db2.gz BYRVWURURZRTRW-KCJUWKMLSA-N 0 1 381.192 2.969 20 10 GFCDMN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000277600136 563215919 /nfs/dbraw/zinc/21/59/19/563215919.db2.gz WTMIKBWHILASDB-OAHLLOKOSA-N 0 1 385.302 2.564 20 10 GFCDMN O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000375739189 563416670 /nfs/dbraw/zinc/41/66/70/563416670.db2.gz YBTNBGGAEXLIEF-GFCCVEGCSA-N 0 1 386.926 2.908 20 10 GFCDMN C[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc(F)ccc1[O-] ZINC000375837497 563420804 /nfs/dbraw/zinc/42/08/04/563420804.db2.gz GSOZOLDRFYNJBL-STQMWFEESA-N 0 1 384.498 2.954 20 10 GFCDMN CCN1CCN(c2ccc(CNc3ccc(F)cc3-c3nn[nH]n3)cc2F)CC1 ZINC000821276192 599545021 /nfs/dbraw/zinc/54/50/21/599545021.db2.gz IERDXQXWWAWEQY-UHFFFAOYSA-N 0 1 399.449 2.899 20 10 GFCDMN O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCCN1c1cccnc1 ZINC000825497521 660430255 /nfs/dbraw/zinc/43/02/55/660430255.db2.gz KHZVIIAPOMAJBX-HNNXBMFYSA-N 0 1 376.254 2.835 20 10 GFCDMN CO[C@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000827618903 660505491 /nfs/dbraw/zinc/50/54/91/660505491.db2.gz UYDRHHNMIQRYGS-CQSZACIVSA-N 0 1 398.308 2.560 20 10 GFCDMN CN(C)C1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 ZINC000271695546 655091533 /nfs/dbraw/zinc/09/15/33/655091533.db2.gz GCNHNYDUJHKMAG-ZROIWOOFSA-N 0 1 395.575 2.502 20 10 GFCDMN CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000708211218 655522294 /nfs/dbraw/zinc/52/22/94/655522294.db2.gz LQPJNUZLXCSKQY-LLVKDONJSA-N 0 1 382.707 2.817 20 10 GFCDMN CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000708211218 655522296 /nfs/dbraw/zinc/52/22/96/655522296.db2.gz LQPJNUZLXCSKQY-LLVKDONJSA-N 0 1 382.707 2.817 20 10 GFCDMN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1O ZINC000730105440 655571813 /nfs/dbraw/zinc/57/18/13/655571813.db2.gz IIUQBNROXNJOLH-UHFFFAOYSA-N 0 1 391.265 2.921 20 10 GFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000779461177 656927872 /nfs/dbraw/zinc/92/78/72/656927872.db2.gz WVMLQFAKGOIWAC-UHFFFAOYSA-N 0 1 375.324 2.998 20 10 GFCDMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000782461747 657146156 /nfs/dbraw/zinc/14/61/56/657146156.db2.gz HNMYPWAZYUYSBZ-UHFFFAOYSA-N 0 1 390.870 2.521 20 10 GFCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000790046196 657919601 /nfs/dbraw/zinc/91/96/01/657919601.db2.gz XAECIHMMVJLRLN-UHFFFAOYSA-N 0 1 378.834 2.651 20 10 GFCDMN C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000797071256 658974383 /nfs/dbraw/zinc/97/43/83/658974383.db2.gz QDNAPTLTRGMPAL-ZIAGYGMSSA-N 0 1 386.945 2.793 20 10 GFCDMN NC(=O)CNC(=O)Nc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000797882731 659063746 /nfs/dbraw/zinc/06/37/46/659063746.db2.gz GZKASSIWPNGQBP-UHFFFAOYSA-N 0 1 383.235 2.918 20 10 GFCDMN C[C@H]1CN(Cc2cc(Br)cc(Br)c2O)CC(=O)N1C ZINC000800537871 659315825 /nfs/dbraw/zinc/31/58/25/659315825.db2.gz HKINVMHTOKNHOK-QMMMGPOBSA-N 0 1 392.091 2.580 20 10 GFCDMN CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805300661 659765076 /nfs/dbraw/zinc/76/50/76/659765076.db2.gz CVNHBDAAMMAUSG-NSHDSACASA-N 0 1 376.240 2.729 20 10 GFCDMN CC(C)(C)n1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807512796 659857505 /nfs/dbraw/zinc/85/75/05/659857505.db2.gz JXSLZCKFGHSCKI-UHFFFAOYSA-N 0 1 385.251 2.905 20 10 GFCDMN O=C(Cc1csc(-c2nc[nH]n2)n1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838883 659866906 /nfs/dbraw/zinc/86/69/06/659866906.db2.gz STCFXPOSHAOXRT-UHFFFAOYSA-N 0 1 384.248 2.800 20 10 GFCDMN C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000850520832 661780793 /nfs/dbraw/zinc/78/07/93/661780793.db2.gz ZIHUNUKSWBXPEM-MRVPVSSYSA-N 0 1 390.221 2.782 20 10 GFCDMN C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000850520833 661780908 /nfs/dbraw/zinc/78/09/08/661780908.db2.gz ZIHUNUKSWBXPEM-QMMMGPOBSA-N 0 1 390.221 2.782 20 10 GFCDMN COC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000852470668 661865532 /nfs/dbraw/zinc/86/55/32/661865532.db2.gz WSJCPCBSFLYZJZ-AWEZNQCLSA-N 0 1 377.268 2.940 20 10 GFCDMN Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000857062834 662062306 /nfs/dbraw/zinc/06/23/06/662062306.db2.gz NQYJRTKDPNMRDC-QGZVFWFLSA-N 0 1 380.286 2.834 20 10 GFCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000858094035 662098301 /nfs/dbraw/zinc/09/83/01/662098301.db2.gz CMMNJJFRMCDDNC-UHFFFAOYSA-N 0 1 378.270 2.676 20 10 GFCDMN NC1(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])CCOCC1 ZINC000863481848 662334536 /nfs/dbraw/zinc/33/45/36/662334536.db2.gz MIGBZKMSXHTSDW-UHFFFAOYSA-N 0 1 394.107 2.515 20 10 GFCDMN CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1cc(Br)ccc1[O-] ZINC000876794626 662866517 /nfs/dbraw/zinc/86/65/17/662866517.db2.gz YLSNYPBAKLGBIY-UHFFFAOYSA-N 0 1 399.310 2.824 20 10 GFCDMN CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1cc(Br)ccc1[O-] ZINC000876794626 662866518 /nfs/dbraw/zinc/86/65/18/662866518.db2.gz YLSNYPBAKLGBIY-UHFFFAOYSA-N 0 1 399.310 2.824 20 10 GFCDMN O=S1(=O)CC[C@H]([N@H+](Cc2cc(Cl)cc(Br)c2[O-])C2CC2)C1 ZINC000893945851 663433100 /nfs/dbraw/zinc/43/31/00/663433100.db2.gz IIVHHTDTFDZEPU-LBPRGKRZSA-N 0 1 394.718 2.960 20 10 GFCDMN O=S1(=O)CC[C@H]([N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C2CC2)C1 ZINC000893945851 663433101 /nfs/dbraw/zinc/43/31/01/663433101.db2.gz IIVHHTDTFDZEPU-LBPRGKRZSA-N 0 1 394.718 2.960 20 10 GFCDMN C[N@@H+](CCCO)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894026639 663438316 /nfs/dbraw/zinc/43/83/16/663438316.db2.gz PWGMXDPWFUOPKO-UHFFFAOYSA-N 0 1 375.282 2.572 20 10 GFCDMN CC[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H](C)S1(=O)=O ZINC000894760438 663480123 /nfs/dbraw/zinc/48/01/23/663480123.db2.gz KPOBKCZTLCNLOA-JOYOIKCWSA-N 0 1 380.279 2.691 20 10 GFCDMN Cc1nn(C)c(NCc2ccc(N3CCN(C)CC3)cc2)c1Br ZINC000902230051 663757341 /nfs/dbraw/zinc/75/73/41/663757341.db2.gz CGKSEQGSDBORKT-UHFFFAOYSA-N 0 1 378.318 2.855 20 10 GFCDMN CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000903362968 663782709 /nfs/dbraw/zinc/78/27/09/663782709.db2.gz KQKHPBRMDGLZEH-HIFRSBDPSA-N 0 1 381.416 2.655 20 10 GFCDMN Cc1cc(C(=O)NC23CCN(CC2)C3)c(C)n1-c1ccc(Br)cn1 ZINC000913635894 664347191 /nfs/dbraw/zinc/34/71/91/664347191.db2.gz RXDZCGZGBIPONX-UHFFFAOYSA-N 0 1 389.297 2.830 20 10 GFCDMN CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000156612833 551525961 /nfs/dbraw/zinc/52/59/61/551525961.db2.gz UWHOVWHMEDSBON-CABCVRRESA-N 0 1 393.285 2.734 20 10 GFCDMN COc1cc(Br)cc(CN2CCC(NC(=O)C3CC3)CC2)c1O ZINC000179910715 552207139 /nfs/dbraw/zinc/20/71/39/552207139.db2.gz RIRJXWYSNDCACL-UHFFFAOYSA-N 0 1 383.286 2.654 20 10 GFCDMN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc(Br)cc1[O-] ZINC000371835565 563288853 /nfs/dbraw/zinc/28/88/53/563288853.db2.gz UGZWKVIPOVOVQN-KDOFPFPSSA-N 0 1 399.329 2.687 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297628796 563331610 /nfs/dbraw/zinc/33/16/10/563331610.db2.gz BEDYSCYBRSTVNI-UHFFFAOYSA-N 0 1 394.273 2.882 20 10 GFCDMN Cn1cc(N2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)cn1 ZINC000376349617 563439496 /nfs/dbraw/zinc/43/94/96/563439496.db2.gz IZZIQBOOYWVSPY-LBPRGKRZSA-N 0 1 384.267 2.511 20 10 GFCDMN Cn1ccc(N2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)n1 ZINC000376350364 563439645 /nfs/dbraw/zinc/43/96/45/563439645.db2.gz KMNVQRVTTCROAJ-GFCCVEGCSA-N 0 1 384.267 2.511 20 10 GFCDMN C[C@@]1(NCc2cc(Br)cc(Br)c2O)CCOC1=O ZINC000290834877 563723299 /nfs/dbraw/zinc/72/32/99/563723299.db2.gz HUBAYJBQMBZMQZ-GFCCVEGCSA-N 0 1 379.048 2.712 20 10 GFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000822210913 599303820 /nfs/dbraw/zinc/30/38/20/599303820.db2.gz WHZRLGDCKIWBHL-UHFFFAOYSA-N 0 1 399.354 2.700 20 10 GFCDMN COc1ccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000738027869 600315113 /nfs/dbraw/zinc/31/51/13/600315113.db2.gz IHAZSLMKJCBIIL-UHFFFAOYSA-N 0 1 392.839 2.970 20 10 GFCDMN C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736725311 600503717 /nfs/dbraw/zinc/50/37/17/600503717.db2.gz QXLUJGSUNGYEBF-PKYBCLHXSA-N 0 1 382.420 2.971 20 10 GFCDMN Cc1cc(C(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858644 601595085 /nfs/dbraw/zinc/59/50/85/601595085.db2.gz LIEQQMFRJFFWND-SUMWQHHRSA-N 0 1 397.475 2.561 20 10 GFCDMN Cc1cc(C(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858644 601595087 /nfs/dbraw/zinc/59/50/87/601595087.db2.gz LIEQQMFRJFFWND-SUMWQHHRSA-N 0 1 397.475 2.561 20 10 GFCDMN C[C@@H](c1ccccc1)[N@@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1O ZINC000833549684 605077787 /nfs/dbraw/zinc/07/77/87/605077787.db2.gz RSZHYSRJWUNTRN-INIZCTEOSA-N 0 1 380.448 2.874 20 10 GFCDMN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)ccc1O ZINC000826271170 609156688 /nfs/dbraw/zinc/15/66/88/609156688.db2.gz GIPGAUKWXSJPAG-UHFFFAOYSA-N 0 1 399.354 2.700 20 10 GFCDMN COc1cc(Br)cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124018 660411702 /nfs/dbraw/zinc/41/17/02/660411702.db2.gz GKKNKSKSGOTRRH-SDBXPKJASA-N 0 1 384.192 2.908 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000825246544 660417539 /nfs/dbraw/zinc/41/75/39/660417539.db2.gz CRGCWIJBPORFCT-LBPRGKRZSA-N 0 1 388.208 2.962 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000271200787 655070168 /nfs/dbraw/zinc/07/01/68/655070168.db2.gz FJVFZTXWYIIKBE-UHFFFAOYSA-N 0 1 376.316 2.801 20 10 GFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000271200787 655070170 /nfs/dbraw/zinc/07/01/70/655070170.db2.gz FJVFZTXWYIIKBE-UHFFFAOYSA-N 0 1 376.316 2.801 20 10 GFCDMN O=C(NC1CCN(Cc2cc(Br)ccc2O)CC1)C1CCOCC1 ZINC000120066353 655326439 /nfs/dbraw/zinc/32/64/39/655326439.db2.gz KOVBBGOZJNYPQV-UHFFFAOYSA-N 0 1 397.313 2.662 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000180652626 655329051 /nfs/dbraw/zinc/32/90/51/655329051.db2.gz ZLALTFWNNASGDO-BBRMVZONSA-N 0 1 380.286 2.834 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000247565374 655431755 /nfs/dbraw/zinc/43/17/55/655431755.db2.gz RFGZMUOTJVLHGA-JKSUJKDBSA-N 0 1 388.302 2.533 20 10 GFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000247565374 655431756 /nfs/dbraw/zinc/43/17/56/655431756.db2.gz RFGZMUOTJVLHGA-JKSUJKDBSA-N 0 1 388.302 2.533 20 10 GFCDMN Cn1c(=O)c2ccc(C(=O)NCCCSc3nccs3)cc2[nH]c1=S ZINC000733884705 655622724 /nfs/dbraw/zinc/62/27/24/655622724.db2.gz VAOMSWBHBJBFIE-UHFFFAOYSA-N 0 1 392.531 2.591 20 10 GFCDMN Cc1cc(C(=O)NCCc2nc[nH]n2)c(C)n1-c1ccc(Br)cc1 ZINC000749189384 655801595 /nfs/dbraw/zinc/80/15/95/655801595.db2.gz UDVRRFVLRXKNEZ-UHFFFAOYSA-N 0 1 388.269 2.947 20 10 GFCDMN C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000756840733 655905938 /nfs/dbraw/zinc/90/59/38/655905938.db2.gz YSPOVCBIHCSFIF-PGUXBMHVSA-N 0 1 393.285 2.733 20 10 GFCDMN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cn1 ZINC000775507654 656645361 /nfs/dbraw/zinc/64/53/61/656645361.db2.gz NVCMUPATLOMTLR-CQSZACIVSA-N 0 1 379.913 2.821 20 10 GFCDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775655313 656660423 /nfs/dbraw/zinc/66/04/23/656660423.db2.gz DJUNSWADOSOBFD-UHFFFAOYSA-N 0 1 381.841 2.973 20 10 GFCDMN CC(C)CN1C[C@H]2CN(Cc3cccc(Br)c3O)CCN2C1=O ZINC000787294528 657541042 /nfs/dbraw/zinc/54/10/42/657541042.db2.gz SWYNYUDROGYTLC-CQSZACIVSA-N 0 1 382.302 2.733 20 10 GFCDMN CC(=O)Nc1ncc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000805135656 659747502 /nfs/dbraw/zinc/74/75/02/659747502.db2.gz PTJZZXKSOFWTGV-UHFFFAOYSA-N 0 1 396.277 2.592 20 10 GFCDMN CNC(=O)[C@H](CCSC)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000806662735 659839199 /nfs/dbraw/zinc/83/91/99/659839199.db2.gz FVLQUHUYVMERIN-GUYCJALGSA-N 0 1 385.961 2.695 20 10 GFCDMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1OC ZINC000808113706 659877714 /nfs/dbraw/zinc/87/77/14/659877714.db2.gz GYHMPCWYFWKMIJ-UHFFFAOYSA-N 0 1 389.788 2.781 20 10 GFCDMN O[C@@H]1CCN(C2CN(Cc3ccc(N4CCCCC4)c(Br)c3)C2)C1 ZINC000843423386 661380893 /nfs/dbraw/zinc/38/08/93/661380893.db2.gz CMNNNAIVPDGPCH-QGZVFWFLSA-N 0 1 394.357 2.690 20 10 GFCDMN Cc1cc(C(=O)N(C)Cc2nnc[nH]2)c(C)n1-c1ccc(Br)cn1 ZINC000843803750 661393023 /nfs/dbraw/zinc/39/30/23/661393023.db2.gz CFYJFDYVQSANFQ-UHFFFAOYSA-N 0 1 389.257 2.642 20 10 GFCDMN CCc1[nH]nc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1Br ZINC000846442364 661551372 /nfs/dbraw/zinc/55/13/72/661551372.db2.gz OKKDLCFSOHPDGT-UHFFFAOYSA-N 0 1 395.301 2.952 20 10 GFCDMN COc1ccc(OC)c([C@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858093228 662098336 /nfs/dbraw/zinc/09/83/36/662098336.db2.gz VQVBQKYXRBJCLP-MRXNPFEDSA-N 0 1 382.254 2.995 20 10 GFCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)[C@@H]1COCC12OCCO2 ZINC000858176797 662103292 /nfs/dbraw/zinc/10/32/92/662103292.db2.gz APXFZGCKBQHRFW-HNNXBMFYSA-N 0 1 386.286 2.660 20 10 GFCDMN CCOC1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000859161994 662141559 /nfs/dbraw/zinc/14/15/59/662141559.db2.gz SPADHLFDNCACKH-UHFFFAOYSA-N 0 1 398.308 2.704 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862232217 662275093 /nfs/dbraw/zinc/27/50/93/662275093.db2.gz UFCKETWJMSJXSB-STQMWFEESA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862232217 662275096 /nfs/dbraw/zinc/27/50/96/662275096.db2.gz UFCKETWJMSJXSB-STQMWFEESA-N 0 1 385.302 2.518 20 10 GFCDMN O=S1(=O)CCN(Cc2cc(Br)cc(F)c2O)[C@H]2CCCC[C@@H]21 ZINC000894025261 663437866 /nfs/dbraw/zinc/43/78/66/663437866.db2.gz UVPKXMUMZRDZPW-KBPBESRZSA-N 0 1 392.290 2.835 20 10 GFCDMN CC1(C)CCN(Cc2cc(Br)cc(F)c2O)CCS1(=O)=O ZINC000894581953 663470066 /nfs/dbraw/zinc/47/00/66/663470066.db2.gz PGYKOIVLJPCNPM-UHFFFAOYSA-N 0 1 380.279 2.693 20 10 GFCDMN COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(Br)cc(F)c1O ZINC000895402477 663512035 /nfs/dbraw/zinc/51/20/35/663512035.db2.gz MTLOLWKKULQTIT-QMTHXVAHSA-N 0 1 390.249 2.742 20 10 GFCDMN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000922676284 664610482 /nfs/dbraw/zinc/61/04/82/664610482.db2.gz FQHRUAJARXUYKZ-UHFFFAOYSA-N 0 1 384.295 2.891 20 10 GFCDMN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])CC2 ZINC000186103417 552379398 /nfs/dbraw/zinc/37/93/98/552379398.db2.gz PBIQUYINXZEZDR-PWSUYJOCSA-N 0 1 381.274 2.558 20 10 GFCDMN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc(Br)cc1[O-] ZINC000371835570 563288839 /nfs/dbraw/zinc/28/88/39/563288839.db2.gz UGZWKVIPOVOVQN-RDTXWAMCSA-N 0 1 399.329 2.687 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000297000127 563312218 /nfs/dbraw/zinc/31/22/18/563312218.db2.gz IMPDSPQPTINFMS-UHFFFAOYSA-N 0 1 382.302 2.971 20 10 GFCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1[O-] ZINC000375848285 563420560 /nfs/dbraw/zinc/42/05/60/563420560.db2.gz NOWMWCJOIRUAHE-DINDLPBHSA-N 0 1 396.285 2.526 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000376891087 563457268 /nfs/dbraw/zinc/45/72/68/563457268.db2.gz YPXPQCWUPYCHBL-WBMJQRKESA-N 0 1 375.252 2.836 20 10 GFCDMN Cc1cc(C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c(C)n1-c1ccccc1C ZINC000737418118 598675624 /nfs/dbraw/zinc/67/56/24/598675624.db2.gz MVLISOBZKXLHSV-UHFFFAOYSA-N 0 1 388.431 2.627 20 10 GFCDMN CCOCC[N@H+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CC ZINC000737177806 600214333 /nfs/dbraw/zinc/21/43/33/600214333.db2.gz SQIDBSLEKUQHAD-BVBGJJFLSA-N 0 1 377.441 2.630 20 10 GFCDMN O=C([O-])c1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000833107029 601603393 /nfs/dbraw/zinc/60/33/93/601603393.db2.gz PDXHIVGUXRWFEY-MRXNPFEDSA-N 0 1 384.432 2.710 20 10 GFCDMN O=C([O-])c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000833107029 601603395 /nfs/dbraw/zinc/60/33/95/601603395.db2.gz PDXHIVGUXRWFEY-MRXNPFEDSA-N 0 1 384.432 2.710 20 10 GFCDMN CCOc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(O)c1 ZINC000825638858 608849416 /nfs/dbraw/zinc/84/94/16/608849416.db2.gz QEEHJVUCQPPKMA-LJQANCHMSA-N 0 1 381.436 2.545 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926090 660405380 /nfs/dbraw/zinc/40/53/80/660405380.db2.gz BJPZRCDLRALJKA-BBRMVZONSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926090 660405381 /nfs/dbraw/zinc/40/53/81/660405381.db2.gz BJPZRCDLRALJKA-BBRMVZONSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2[O-])cn1 ZINC000824948224 660405717 /nfs/dbraw/zinc/40/57/17/660405717.db2.gz CKXGPVVPXWLQTD-DOTOQJQBSA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2[O-])cn1 ZINC000824948224 660405718 /nfs/dbraw/zinc/40/57/18/660405718.db2.gz CKXGPVVPXWLQTD-DOTOQJQBSA-N 0 1 380.286 2.976 20 10 GFCDMN CN(Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014285149 654505827 /nfs/dbraw/zinc/50/58/27/654505827.db2.gz BVEXKVNECQAMIC-ZDUSSCGKSA-N 0 1 384.295 2.927 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266517898 654883115 /nfs/dbraw/zinc/88/31/15/654883115.db2.gz JIFYDBMRSUMSBD-UHFFFAOYSA-N 0 1 383.202 2.757 20 10 GFCDMN O=S(=O)(N1CCC(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000069875944 654988643 /nfs/dbraw/zinc/98/86/43/654988643.db2.gz VDGXEJVKZHQEOD-UHFFFAOYSA-N 0 1 386.823 2.697 20 10 GFCDMN O=C(CSc1n[nH]c(=S)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269850965 655024744 /nfs/dbraw/zinc/02/47/44/655024744.db2.gz UGSRHHMPLKPOCA-GFCCVEGCSA-N 0 1 397.547 2.832 20 10 GFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000275151098 655219898 /nfs/dbraw/zinc/21/98/98/655219898.db2.gz SNWWWKUGFRUEHK-VIFPVBQESA-N 0 1 381.192 2.655 20 10 GFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000275151098 655219900 /nfs/dbraw/zinc/21/99/00/655219900.db2.gz SNWWWKUGFRUEHK-VIFPVBQESA-N 0 1 381.192 2.655 20 10 GFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000121529112 655349989 /nfs/dbraw/zinc/34/99/89/655349989.db2.gz OWRRLXHYPUTYBQ-UHFFFAOYSA-N 0 1 390.433 2.836 20 10 GFCDMN Cn1cc(CNCc2cc(Br)ccc2O)c(Br)n1 ZINC000720668222 655524612 /nfs/dbraw/zinc/52/46/12/655524612.db2.gz CPZZAQUGFIULNS-UHFFFAOYSA-N 0 1 375.064 2.941 20 10 GFCDMN CCN1CCN(c2ccc(CNC(=S)NCCCSC)cc2F)CC1 ZINC000730156767 655571889 /nfs/dbraw/zinc/57/18/89/655571889.db2.gz MFLNLQXRRIQFGA-UHFFFAOYSA-N 0 1 384.590 2.685 20 10 GFCDMN CCn1cc([C@H]2C[S@](=O)CCN2Cc2cccc(Br)c2O)cn1 ZINC000754155032 655864486 /nfs/dbraw/zinc/86/44/86/655864486.db2.gz UHJVIFHASBCLQC-IQMFZBJNSA-N 0 1 398.326 2.677 20 10 GFCDMN COCc1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000840915282 661206594 /nfs/dbraw/zinc/20/65/94/661206594.db2.gz NVGLOYYFMRIKTI-UHFFFAOYSA-N 0 1 385.825 2.764 20 10 GFCDMN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000762794426 656058997 /nfs/dbraw/zinc/05/89/97/656058997.db2.gz LFDUVCGVBIUPCU-LBPRGKRZSA-N 0 1 385.251 2.914 20 10 GFCDMN COc1cc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)ccc1O ZINC000797819730 659054359 /nfs/dbraw/zinc/05/43/59/659054359.db2.gz PUZYSXBFMWQRJP-UHFFFAOYSA-N 0 1 384.841 2.557 20 10 GFCDMN O=C(NCCCOC[C@@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805145321 659750824 /nfs/dbraw/zinc/75/08/24/659750824.db2.gz QOTVPFPACXWYFF-NSHDSACASA-N 0 1 377.268 2.941 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnn(-c2ncccn2)c1 ZINC000806306799 659829512 /nfs/dbraw/zinc/82/95/12/659829512.db2.gz IPCQCUOQJJUGIN-UHFFFAOYSA-N 0 1 379.207 2.996 20 10 GFCDMN CCCC1N=NC(=S)N1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839045 659866875 /nfs/dbraw/zinc/86/68/75/659866875.db2.gz GKAKEOFFKUHOEC-UHFFFAOYSA-N 0 1 375.281 2.848 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000807840197 659867109 /nfs/dbraw/zinc/86/71/09/659867109.db2.gz UGIBIFZKOPYBAD-MRVPVSSYSA-N 0 1 385.169 2.726 20 10 GFCDMN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1NC(C)=O ZINC000808114253 659877692 /nfs/dbraw/zinc/87/76/92/659877692.db2.gz VAMGGMAANDYULB-UHFFFAOYSA-N 0 1 388.804 2.953 20 10 GFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862399902 662285280 /nfs/dbraw/zinc/28/52/80/662285280.db2.gz GTUGEECIAKOBBX-CYBMUJFWSA-N 0 1 381.192 2.655 20 10 GFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862399902 662285282 /nfs/dbraw/zinc/28/52/82/662285282.db2.gz GTUGEECIAKOBBX-CYBMUJFWSA-N 0 1 381.192 2.655 20 10 GFCDMN COc1ccc(O)c([C@@H](C)NCc2c(I)cnn2C)c1 ZINC000866631671 662485961 /nfs/dbraw/zinc/48/59/61/662485961.db2.gz PKXNZAAARDDPBT-SECBINFHSA-N 0 1 387.221 2.590 20 10 GFCDMN COc1cccc([C@@H](C)NCc2c(I)cnn2C)c1O ZINC000866631926 662486254 /nfs/dbraw/zinc/48/62/54/662486254.db2.gz TZKLNQJYDHQMCS-SECBINFHSA-N 0 1 387.221 2.590 20 10 GFCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Br)cc(F)c1[O-] ZINC000894580770 663470118 /nfs/dbraw/zinc/47/01/18/663470118.db2.gz NECPTKDXKPTQEB-GFCCVEGCSA-N 0 1 387.293 2.979 20 10 GFCDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000894868770 663485581 /nfs/dbraw/zinc/48/55/81/663485581.db2.gz GOIRANLYHGWCPD-KBPBESRZSA-N 0 1 375.694 2.713 20 10 GFCDMN CO[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000895968839 663535540 /nfs/dbraw/zinc/53/55/40/663535540.db2.gz RYPLGPAWNJQMOI-NSHDSACASA-N 0 1 381.064 2.722 20 10 GFCDMN CNC(=O)CCC[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000180505719 552228627 /nfs/dbraw/zinc/22/86/27/552228627.db2.gz OUEIJDWJQDKCKQ-UHFFFAOYSA-N 0 1 394.107 2.875 20 10 GFCDMN COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000186127831 552379985 /nfs/dbraw/zinc/37/99/85/552379985.db2.gz RISGAHSARICESF-GFCCVEGCSA-N 0 1 385.302 2.833 20 10 GFCDMN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1cc(Br)ccc1[O-] ZINC000371834081 563288960 /nfs/dbraw/zinc/28/89/60/563288960.db2.gz GXPLZCAOOYKKQV-RDTXWAMCSA-N 0 1 399.329 2.687 20 10 GFCDMN CCc1nc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)n[nH]1 ZINC000297632550 563331831 /nfs/dbraw/zinc/33/18/31/563331831.db2.gz YKWJYBHEKPLHOA-UHFFFAOYSA-N 0 1 382.262 2.567 20 10 GFCDMN O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000375739190 563416974 /nfs/dbraw/zinc/41/69/74/563416974.db2.gz YBTNBGGAEXLIEF-LBPRGKRZSA-N 0 1 386.926 2.908 20 10 GFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cs1 ZINC000290467914 563710477 /nfs/dbraw/zinc/71/04/77/563710477.db2.gz GGKOGKZQJYCTRC-UHFFFAOYSA-N 0 1 385.463 2.966 20 10 GFCDMN CCn1cc(C[N@H+]2CCCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000737300785 600215411 /nfs/dbraw/zinc/21/54/11/600215411.db2.gz FBUQIXGHGANLOD-ALCCZGGFSA-N 0 1 399.451 2.621 20 10 GFCDMN CCC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1O ZINC000829464887 600852493 /nfs/dbraw/zinc/85/24/93/600852493.db2.gz SPFNZEPQTHCDRZ-IBGZPJMESA-N 0 1 382.460 2.642 20 10 GFCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000738532359 600934289 /nfs/dbraw/zinc/93/42/89/600934289.db2.gz LAOXQUZFCYCXPV-UHFFFAOYSA-N 0 1 397.475 2.600 20 10 GFCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000738532359 600934293 /nfs/dbraw/zinc/93/42/93/600934293.db2.gz LAOXQUZFCYCXPV-UHFFFAOYSA-N 0 1 397.475 2.600 20 10 GFCDMN Cc1cc(C(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858643 601594966 /nfs/dbraw/zinc/59/49/66/601594966.db2.gz LIEQQMFRJFFWND-GUYCJALGSA-N 0 1 397.475 2.561 20 10 GFCDMN Cc1cc(C(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858643 601594967 /nfs/dbraw/zinc/59/49/67/601594967.db2.gz LIEQQMFRJFFWND-GUYCJALGSA-N 0 1 397.475 2.561 20 10 GFCDMN O=C([O-])c1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000833328266 604916157 /nfs/dbraw/zinc/91/61/57/604916157.db2.gz GLYPGLZEWLGRBR-AWEZNQCLSA-N 0 1 389.839 2.533 20 10 GFCDMN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccncc1Cl ZINC000817577356 660201221 /nfs/dbraw/zinc/20/12/21/660201221.db2.gz INMGGRCLKMMFTG-AWEZNQCLSA-N 0 1 379.913 2.821 20 10 GFCDMN COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825757393 660440510 /nfs/dbraw/zinc/44/05/10/660440510.db2.gz NPPGDCBPCHTLGJ-UHFFFAOYSA-N 0 1 393.281 2.612 20 10 GFCDMN COCC(=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000054543193 654761865 /nfs/dbraw/zinc/76/18/65/654761865.db2.gz IZZLZKQXKBMBAD-UHFFFAOYSA-N 0 1 393.281 2.599 20 10 GFCDMN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093147665 655017698 /nfs/dbraw/zinc/01/76/98/655017698.db2.gz CVJVSVAGCZQAKA-INIZCTEOSA-N 0 1 382.346 2.757 20 10 GFCDMN CS(=O)(=O)CCNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838914746 661063478 /nfs/dbraw/zinc/06/34/78/661063478.db2.gz QIPUIWCNMAMVQZ-UHFFFAOYSA-N 0 1 375.332 2.574 20 10 GFCDMN CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000159421654 655114344 /nfs/dbraw/zinc/11/43/44/655114344.db2.gz DBOIZQNJXZEEKF-CYBMUJFWSA-N 0 1 381.325 2.993 20 10 GFCDMN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000756483446 655900485 /nfs/dbraw/zinc/90/04/85/655900485.db2.gz NVWXPBWNHTWJIL-GFCCVEGCSA-N 0 1 399.310 2.784 20 10 GFCDMN C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000756528452 655901397 /nfs/dbraw/zinc/90/13/97/655901397.db2.gz YOPUAKCHBCQWNC-BBRMVZONSA-N 0 1 398.345 2.748 20 10 GFCDMN CCOC(=O)[C@H](Cc1ccccn1)NCc1cccc(Br)c1O ZINC000763478592 656083989 /nfs/dbraw/zinc/08/39/89/656083989.db2.gz IPOJPFFTRKCHCM-HNNXBMFYSA-N 0 1 379.254 2.814 20 10 GFCDMN O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc(Cl)ccc3[O-])cc2)CC1 ZINC000776173891 656717899 /nfs/dbraw/zinc/71/78/99/656717899.db2.gz COBMVVJCSSVKJK-UHFFFAOYSA-N 0 1 380.897 2.570 20 10 GFCDMN CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000793610941 658415733 /nfs/dbraw/zinc/41/57/33/658415733.db2.gz ZKNKRHBKGUKBGM-UHFFFAOYSA-N 0 1 384.860 2.651 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000796516598 658921605 /nfs/dbraw/zinc/92/16/05/658921605.db2.gz MDPGFUJAJMKRRW-CYBMUJFWSA-N 0 1 383.208 2.507 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCNC1=O ZINC000799737877 659219180 /nfs/dbraw/zinc/21/91/80/659219180.db2.gz PMHOLOVEZGRWRW-LLVKDONJSA-N 0 1 392.091 2.628 20 10 GFCDMN CS(=O)(=O)N1CCC(N(Cc2cccc(Cl)c2O)CC(F)F)CC1 ZINC000802658292 659492770 /nfs/dbraw/zinc/49/27/70/659492770.db2.gz SBQNFCTUFPGLOB-UHFFFAOYSA-N 0 1 382.860 2.537 20 10 GFCDMN O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)C1CC1 ZINC000809784451 659939265 /nfs/dbraw/zinc/93/92/65/659939265.db2.gz KJOLAWYWLNEXOZ-NSHDSACASA-N 0 1 393.336 2.993 20 10 GFCDMN Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685580 660060642 /nfs/dbraw/zinc/06/06/42/660060642.db2.gz LJJJSNNGJZPXAH-UHFFFAOYSA-N 0 1 395.289 2.646 20 10 GFCDMN C[C@@H]1C(=O)N(C)CN1Cc1cc(Br)cc(Br)c1O ZINC000843436006 661381545 /nfs/dbraw/zinc/38/15/45/661381545.db2.gz YZHHJINWFUKOFB-SSDOTTSWSA-N 0 1 378.064 2.537 20 10 GFCDMN CCON(C)C(=O)CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000846063300 661528881 /nfs/dbraw/zinc/52/88/81/661528881.db2.gz MMAJLUSOUCWNIR-UHFFFAOYSA-N 0 1 384.318 2.939 20 10 GFCDMN COC(=O)[C@H](NCc1cccc(Br)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846107687 661532771 /nfs/dbraw/zinc/53/27/71/661532771.db2.gz KRLSPJAKMZMSTN-NJZAAPMLSA-N 0 1 386.286 2.991 20 10 GFCDMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2c(O)cccc2Br)c1 ZINC000858125110 662100068 /nfs/dbraw/zinc/10/00/68/662100068.db2.gz ZPAUQQMHIHYENE-LLVKDONJSA-N 0 1 399.310 2.914 20 10 GFCDMN COc1ccccc1CCNC(=O)CNCc1c(O)cccc1Br ZINC000858161592 662102415 /nfs/dbraw/zinc/10/24/15/662102415.db2.gz UZQCVJAUUICYMC-UHFFFAOYSA-N 0 1 393.281 2.612 20 10 GFCDMN COc1ccccc1CCNC(=O)C[NH2+]Cc1c([O-])cccc1Br ZINC000858161592 662102421 /nfs/dbraw/zinc/10/24/21/662102421.db2.gz UZQCVJAUUICYMC-UHFFFAOYSA-N 0 1 393.281 2.612 20 10 GFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cccc(Br)c3O)C2)cn1 ZINC000874051115 662821475 /nfs/dbraw/zinc/82/14/75/662821475.db2.gz OGXRFACYJMMJGW-QWHCGFSZSA-N 0 1 394.269 2.579 20 10 GFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3O)C2)cn1 ZINC000874051115 662821476 /nfs/dbraw/zinc/82/14/76/662821476.db2.gz OGXRFACYJMMJGW-QWHCGFSZSA-N 0 1 394.269 2.579 20 10 GFCDMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H](C)c1ccccc1O ZINC000877757148 662882962 /nfs/dbraw/zinc/88/29/62/662882962.db2.gz JEGGWBGFGUZQGN-AAEUAGOBSA-N 0 1 383.901 2.761 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)c3ncsc3Br)cc2)CC1 ZINC000893607129 663417238 /nfs/dbraw/zinc/41/72/38/663417238.db2.gz CZUSVXCHRVVXEW-UHFFFAOYSA-N 0 1 395.326 2.587 20 10 GFCDMN CCN(Cc1cc(Br)cc(F)c1O)[C@H](C)CS(=O)(=O)CC ZINC000894027881 663438241 /nfs/dbraw/zinc/43/82/41/663438241.db2.gz TYROAASRHIZGNK-SNVBAGLBSA-N 0 1 382.295 2.939 20 10 GFCDMN CC[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000894027881 663438244 /nfs/dbraw/zinc/43/82/44/663438244.db2.gz TYROAASRHIZGNK-SNVBAGLBSA-N 0 1 382.295 2.939 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000894027881 663438246 /nfs/dbraw/zinc/43/82/46/663438246.db2.gz TYROAASRHIZGNK-SNVBAGLBSA-N 0 1 382.295 2.939 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)c3cnc(Br)s3)cc2)CC1 ZINC000906129651 663928189 /nfs/dbraw/zinc/92/81/89/663928189.db2.gz LCTZBPMXXZAWPG-UHFFFAOYSA-N 0 1 395.326 2.587 20 10 GFCDMN O=S(=O)(NCCCSc1nccs1)c1occc1Br ZINC000914106140 664377142 /nfs/dbraw/zinc/37/71/42/664377142.db2.gz BHUFTXRKVHWWGN-UHFFFAOYSA-N 0 1 383.314 2.959 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000186081887 552378163 /nfs/dbraw/zinc/37/81/63/552378163.db2.gz FPIKHVYPUSJMJL-SMDDNHRTSA-N 0 1 393.285 2.734 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000369553800 563217489 /nfs/dbraw/zinc/21/74/89/563217489.db2.gz VTSAPJIBQLOBJC-KBPBESRZSA-N 0 1 381.249 2.651 20 10 GFCDMN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Br)ccc2[O-])cc1O ZINC000289554472 563678747 /nfs/dbraw/zinc/67/87/47/563678747.db2.gz XXUCSCLGCGGFPZ-ZDUSSCGKSA-N 0 1 396.281 2.810 20 10 GFCDMN CC[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000364363007 563751193 /nfs/dbraw/zinc/75/11/93/563751193.db2.gz XQORSDPEIIKYBR-KGLIPLIRSA-N 0 1 393.285 2.734 20 10 GFCDMN Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)n1 ZINC000738368589 600427056 /nfs/dbraw/zinc/42/70/56/600427056.db2.gz ICXKOAHTXYRLEM-QGZVFWFLSA-N 0 1 395.459 2.958 20 10 GFCDMN C[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737454193 600498444 /nfs/dbraw/zinc/49/84/44/600498444.db2.gz CUCZJEPLRCJSGF-HNNXBMFYSA-N 0 1 396.365 2.839 20 10 GFCDMN OCC1CCN(c2ccc(CNCc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000823715558 607476546 /nfs/dbraw/zinc/47/65/46/607476546.db2.gz UPVZZWILTAVWLD-UHFFFAOYSA-N 0 1 396.470 2.504 20 10 GFCDMN O=C([O-])c1cccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000833106630 601603333 /nfs/dbraw/zinc/60/33/33/601603333.db2.gz LOELQBJSEANEQE-SFHVURJKSA-N 0 1 384.432 2.710 20 10 GFCDMN O=C([O-])c1cccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000833106630 601603336 /nfs/dbraw/zinc/60/33/36/601603336.db2.gz LOELQBJSEANEQE-SFHVURJKSA-N 0 1 384.432 2.710 20 10 GFCDMN Cc1cc(C)c(O)c(C[NH+]2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000826263693 607845595 /nfs/dbraw/zinc/84/55/95/607845595.db2.gz MQNYAUJQKMMDNK-UHFFFAOYSA-N 0 1 382.443 2.650 20 10 GFCDMN O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477043 609602192 /nfs/dbraw/zinc/60/21/92/609602192.db2.gz USMVEXBQYJIRAQ-INIZCTEOSA-N 0 1 398.854 2.511 20 10 GFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1O ZINC000827849662 660519423 /nfs/dbraw/zinc/51/94/23/660519423.db2.gz HLYCKTJYHCUFEV-SKDRFNHKSA-N 0 1 380.794 2.943 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CN(C)[C@H]1CCSC1 ZINC000124456257 654776236 /nfs/dbraw/zinc/77/62/36/654776236.db2.gz QUDRITVACFVPQB-AWEZNQCLSA-N 0 1 387.343 2.941 20 10 GFCDMN CC(C)(C)c1nc(CNC(=O)NCc2cccc(Br)c2O)n[nH]1 ZINC000838753834 661056017 /nfs/dbraw/zinc/05/60/17/661056017.db2.gz AHDTWNKEYMVCJZ-UHFFFAOYSA-N 0 1 382.262 2.570 20 10 GFCDMN COc1cccc(CNC(=O)c2n[nH]c3ccc(Br)cc32)c1O ZINC000171869411 655154857 /nfs/dbraw/zinc/15/48/57/655154857.db2.gz CYISMTGZOJSESX-UHFFFAOYSA-N 0 1 376.210 2.970 20 10 GFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275147454 655219597 /nfs/dbraw/zinc/21/95/97/655219597.db2.gz XBFHLGQLQZLDBN-SNVBAGLBSA-N 0 1 378.778 2.749 20 10 GFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275147454 655219600 /nfs/dbraw/zinc/21/96/00/655219600.db2.gz XBFHLGQLQZLDBN-SNVBAGLBSA-N 0 1 378.778 2.749 20 10 GFCDMN C[N@@H+]1C[C@H]2CN(Cc3cc(Br)cc(Br)c3[O-])C[C@H]2C1 ZINC000194542551 655416111 /nfs/dbraw/zinc/41/61/11/655416111.db2.gz PTRLCNDYAWNEFO-PHIMTYICSA-N 0 1 390.119 2.911 20 10 GFCDMN C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000756481537 655900506 /nfs/dbraw/zinc/90/05/06/655900506.db2.gz AQFFGELEMNEFSL-LBPRGKRZSA-N 0 1 399.310 2.784 20 10 GFCDMN CCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1=O ZINC000758014194 655921557 /nfs/dbraw/zinc/92/15/57/655921557.db2.gz DDYUCMZWKKJDGX-UHFFFAOYSA-N 0 1 392.091 2.581 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769008506 656263092 /nfs/dbraw/zinc/26/30/92/656263092.db2.gz ZBRSQJAVNURZHX-STQMWFEESA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769008506 656263094 /nfs/dbraw/zinc/26/30/94/656263094.db2.gz ZBRSQJAVNURZHX-STQMWFEESA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769008500 656263173 /nfs/dbraw/zinc/26/31/73/656263173.db2.gz ZBRSQJAVNURZHX-CHWSQXEVSA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769008500 656263177 /nfs/dbraw/zinc/26/31/77/656263177.db2.gz ZBRSQJAVNURZHX-CHWSQXEVSA-N 0 1 385.302 2.518 20 10 GFCDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1[N+](=O)[O-] ZINC000792702978 658313904 /nfs/dbraw/zinc/31/39/04/658313904.db2.gz LVPSGHZSPSGBST-UHFFFAOYSA-N 0 1 388.398 2.971 20 10 GFCDMN C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000797117179 658982883 /nfs/dbraw/zinc/98/28/83/658982883.db2.gz KAYLKTPQRRNQJE-WCQYABFASA-N 0 1 391.331 2.619 20 10 GFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cn2c(n1)CCCC2 ZINC000805135328 659747739 /nfs/dbraw/zinc/74/77/39/659747739.db2.gz JSOZLBXJSMEWOR-UHFFFAOYSA-N 0 1 376.265 2.710 20 10 GFCDMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806322703 659829454 /nfs/dbraw/zinc/82/94/54/659829454.db2.gz CSJSZUPOKVXYSF-AWEZNQCLSA-N 0 1 390.311 2.855 20 10 GFCDMN CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807512507 659857196 /nfs/dbraw/zinc/85/71/96/659857196.db2.gz XTZMFRJOQOBGOL-UHFFFAOYSA-N 0 1 385.251 2.811 20 10 GFCDMN CN(C)C(=O)COc1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858099954 662098657 /nfs/dbraw/zinc/09/86/57/662098657.db2.gz DWJYMKDHGCCQMY-UHFFFAOYSA-N 0 1 393.281 2.912 20 10 GFCDMN Oc1c(F)cc(Br)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000894032081 663438829 /nfs/dbraw/zinc/43/88/29/663438829.db2.gz CERTXOOAWYFGMT-UHFFFAOYSA-N 0 1 395.154 2.920 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894095620 663442383 /nfs/dbraw/zinc/44/23/83/663442383.db2.gz RDJCWMKQAPNAMK-BDJLRTHQSA-N 0 1 398.276 2.973 20 10 GFCDMN COC(=O)[C@@H](NCc1cc(Cl)cc(Br)c1O)c1ccnn1C ZINC000895084230 663498682 /nfs/dbraw/zinc/49/86/82/663498682.db2.gz IBNLSMHVCXVFGV-LBPRGKRZSA-N 0 1 388.649 2.546 20 10 GFCDMN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Br)cc(F)c1O ZINC000895867335 663531072 /nfs/dbraw/zinc/53/10/72/663531072.db2.gz WBVDODBIGHSXEX-JSGCOSHPSA-N 0 1 390.249 2.884 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927316389 664707490 /nfs/dbraw/zinc/70/74/90/664707490.db2.gz RGCNCESHLSMLDU-YOGCLGLASA-N 0 1 393.292 2.606 20 10 GFCDMN C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000186082491 552378793 /nfs/dbraw/zinc/37/87/93/552378793.db2.gz HVVXCNCOVFLSHS-RISCZKNCSA-N 0 1 393.285 2.734 20 10 GFCDMN COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000186127816 552380057 /nfs/dbraw/zinc/38/00/57/552380057.db2.gz RISGAHSARICESF-LBPRGKRZSA-N 0 1 385.302 2.833 20 10 GFCDMN CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000371601541 563282146 /nfs/dbraw/zinc/28/21/46/563282146.db2.gz JJWYAUPECUQDGU-LLVKDONJSA-N 0 1 384.889 2.520 20 10 GFCDMN C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000368214136 563866285 /nfs/dbraw/zinc/86/62/85/563866285.db2.gz XJIGYPNMCVWSFM-ABAIWWIYSA-N 0 1 383.286 2.585 20 10 GFCDMN C[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000824604721 608282260 /nfs/dbraw/zinc/28/22/60/608282260.db2.gz DGDUGNMPBJSRPE-CQSZACIVSA-N 0 1 382.443 2.693 20 10 GFCDMN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccncc1Cl ZINC000817577357 660201205 /nfs/dbraw/zinc/20/12/05/660201205.db2.gz INMGGRCLKMMFTG-CQSZACIVSA-N 0 1 379.913 2.821 20 10 GFCDMN Cn1cc(I)c(CNCc2cccc(Cl)c2O)n1 ZINC000825079072 660409864 /nfs/dbraw/zinc/40/98/64/660409864.db2.gz KXWQUCKCIYBNKH-UHFFFAOYSA-N 0 1 377.613 2.674 20 10 GFCDMN Cn1cc(I)c(C[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000825079072 660409866 /nfs/dbraw/zinc/40/98/66/660409866.db2.gz KXWQUCKCIYBNKH-UHFFFAOYSA-N 0 1 377.613 2.674 20 10 GFCDMN CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(Br)ccc1[O-] ZINC000274884510 655205926 /nfs/dbraw/zinc/20/59/26/655205926.db2.gz IFXLGWWVKPUGOD-GJZGRUSLSA-N 0 1 384.318 2.535 20 10 GFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])cn1 ZINC000770385843 656317918 /nfs/dbraw/zinc/31/79/18/656317918.db2.gz LBTIRCAYQLWWSZ-GOEBONIOSA-N 0 1 380.286 2.976 20 10 GFCDMN COC(=O)c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805135808 659747439 /nfs/dbraw/zinc/74/74/39/659747439.db2.gz UEZAKMCMSQLYBD-UHFFFAOYSA-N 0 1 390.244 2.964 20 10 GFCDMN CC1(C)CN(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000805185575 659754285 /nfs/dbraw/zinc/75/42/85/659754285.db2.gz ISQRSASMSFWJDX-UHFFFAOYSA-N 0 1 376.284 2.609 20 10 GFCDMN CCC1(Cn2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)nn2)COC1 ZINC000854475835 661935347 /nfs/dbraw/zinc/93/53/47/661935347.db2.gz WUWZMEGJZVACIK-UHFFFAOYSA-N 0 1 385.251 2.647 20 10 GFCDMN Cc1cc(Br)cc(C)c1NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000860460552 662201686 /nfs/dbraw/zinc/20/16/86/662201686.db2.gz XIVFTBDMOURPMF-AWEZNQCLSA-N 0 1 397.317 2.527 20 10 GFCDMN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862425504 662287496 /nfs/dbraw/zinc/28/74/96/662287496.db2.gz YOEBYDWUBGVSBP-KRWDZBQOSA-N 0 1 380.286 2.834 20 10 GFCDMN CN1CCN(CCC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000882880620 663044292 /nfs/dbraw/zinc/04/42/92/663044292.db2.gz BDGMXVBNFRBSSC-UHFFFAOYSA-N 0 1 376.726 2.535 20 10 GFCDMN Cn1nccc1C([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccnn1C ZINC000883191854 663051197 /nfs/dbraw/zinc/05/11/97/663051197.db2.gz LDASWCNDHWFCHQ-UHFFFAOYSA-N 0 1 394.248 2.640 20 10 GFCDMN CC[N@@H+](CCC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000896711327 663572876 /nfs/dbraw/zinc/57/28/76/663572876.db2.gz GESLCJPIIDZEOZ-UHFFFAOYSA-N 0 1 380.080 2.615 20 10 GFCDMN COc1ccc(OC)c(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000063824187 551184271 /nfs/dbraw/zinc/18/42/71/551184271.db2.gz VRGFIEPPUDTPQB-WJDWOHSUSA-N 0 1 378.519 2.999 20 10 GFCDMN CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Br)ccc1[O-] ZINC000156721452 551527603 /nfs/dbraw/zinc/52/76/03/551527603.db2.gz GYHCQTPMAQWAGA-TZMCWYRMSA-N 0 1 395.301 2.948 20 10 GFCDMN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])CC2 ZINC000186102450 552379319 /nfs/dbraw/zinc/37/93/19/552379319.db2.gz FVRROBJMMMECBO-JQWIXIFHSA-N 0 1 381.274 2.558 20 10 GFCDMN CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000371601542 563282463 /nfs/dbraw/zinc/28/24/63/563282463.db2.gz JJWYAUPECUQDGU-NSHDSACASA-N 0 1 384.889 2.520 20 10 GFCDMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](C)Cc1ccccc1O ZINC000737409727 600312988 /nfs/dbraw/zinc/31/29/88/600312988.db2.gz XOJGWYQTRRHSJX-IBGZPJMESA-N 0 1 381.432 2.559 20 10 GFCDMN CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000828708013 601856588 /nfs/dbraw/zinc/85/65/88/601856588.db2.gz JVPZZKIIHRVRRW-OXQOHEQNSA-N 0 1 375.513 2.724 20 10 GFCDMN CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000828708013 601856590 /nfs/dbraw/zinc/85/65/90/601856590.db2.gz JVPZZKIIHRVRRW-OXQOHEQNSA-N 0 1 375.513 2.724 20 10 GFCDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000833506239 604769423 /nfs/dbraw/zinc/76/94/23/604769423.db2.gz VUZNDUVSAJISBG-SFHVURJKSA-N 0 1 379.457 2.895 20 10 GFCDMN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825138565 660412585 /nfs/dbraw/zinc/41/25/85/660412585.db2.gz PMFOGUAFOYFQMF-LLVKDONJSA-N 0 1 399.310 2.914 20 10 GFCDMN COc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc(OC)c1 ZINC000063824097 654858820 /nfs/dbraw/zinc/85/88/20/654858820.db2.gz AKKQNQLUTHPBMS-YBEGLDIGSA-N 0 1 378.519 2.999 20 10 GFCDMN COc1cc(Br)cc(CN2CCCC[C@@H]2CN2CCOCC2)c1O ZINC000093011080 655016742 /nfs/dbraw/zinc/01/67/42/655016742.db2.gz GEPARDRFYOGXBF-MRXNPFEDSA-N 0 1 399.329 2.850 20 10 GFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000097044551 655033584 /nfs/dbraw/zinc/03/35/84/655033584.db2.gz HSOMKGKTHUTJLW-MRXNPFEDSA-N 0 1 386.323 2.517 20 10 GFCDMN CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000708211221 655522321 /nfs/dbraw/zinc/52/23/21/655522321.db2.gz LQPJNUZLXCSKQY-NSHDSACASA-N 0 1 382.707 2.817 20 10 GFCDMN CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000708211221 655522323 /nfs/dbraw/zinc/52/23/23/655522323.db2.gz LQPJNUZLXCSKQY-NSHDSACASA-N 0 1 382.707 2.817 20 10 GFCDMN COc1c(C)cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1C ZINC000743050644 655725953 /nfs/dbraw/zinc/72/59/53/655725953.db2.gz YCENXLLHWBOCRI-UHFFFAOYSA-N 0 1 378.479 2.970 20 10 GFCDMN C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000756483448 655900490 /nfs/dbraw/zinc/90/04/90/655900490.db2.gz NVWXPBWNHTWJIL-LBPRGKRZSA-N 0 1 399.310 2.784 20 10 GFCDMN C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000756482160 655900512 /nfs/dbraw/zinc/90/05/12/655900512.db2.gz HOXYSKPDDMNNGS-JTQLQIEISA-N 0 1 379.320 2.523 20 10 GFCDMN CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000775496317 656643477 /nfs/dbraw/zinc/64/34/77/656643477.db2.gz GFLJRKSYNCKZJB-CYBMUJFWSA-N 0 1 393.347 2.913 20 10 GFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000779195439 656904277 /nfs/dbraw/zinc/90/42/77/656904277.db2.gz FBJDTHSRGJVMPF-JTQLQIEISA-N 0 1 395.219 2.964 20 10 GFCDMN C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000797116251 658982922 /nfs/dbraw/zinc/98/29/22/658982922.db2.gz GNNRGUHGCGIIPU-AAEUAGOBSA-N 0 1 391.331 2.619 20 10 GFCDMN CNC(=O)CNC(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000800312655 659300431 /nfs/dbraw/zinc/30/04/31/659300431.db2.gz MZGPYMARCYUJSP-UHFFFAOYSA-N 0 1 382.247 2.787 20 10 GFCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H](C)N1CCOCC1 ZINC000805137399 659748647 /nfs/dbraw/zinc/74/86/47/659748647.db2.gz OPAXBBINFWJJEY-MNOVXSKESA-N 0 1 376.284 2.607 20 10 GFCDMN O=C(NCCCOC[C@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805145320 659750638 /nfs/dbraw/zinc/75/06/38/659750638.db2.gz QOTVPFPACXWYFF-LLVKDONJSA-N 0 1 377.268 2.941 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(-n2nccn2)nc1 ZINC000806213618 659827448 /nfs/dbraw/zinc/82/74/48/659827448.db2.gz VNESQWVNJVAGTE-UHFFFAOYSA-N 0 1 379.207 2.996 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000807511148 659857145 /nfs/dbraw/zinc/85/71/45/659857145.db2.gz FZVDRHGZTBNKCM-UHFFFAOYSA-N 0 1 379.203 2.830 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000807837045 659866636 /nfs/dbraw/zinc/86/66/36/659866636.db2.gz YXBBMBABFGNIBU-SNVBAGLBSA-N 0 1 385.169 2.869 20 10 GFCDMN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836472 659866664 /nfs/dbraw/zinc/86/66/64/659866664.db2.gz XTHCLAKSHKAXIZ-UHFFFAOYSA-N 0 1 389.260 2.585 20 10 GFCDMN Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840052 659867146 /nfs/dbraw/zinc/86/71/46/659867146.db2.gz WPBJKLVYLKRGIZ-UHFFFAOYSA-N 0 1 380.235 2.857 20 10 GFCDMN CS(=O)(=O)Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000807839432 659867180 /nfs/dbraw/zinc/86/71/80/659867180.db2.gz DMNBBTATTHNZMM-UHFFFAOYSA-N 0 1 378.233 2.767 20 10 GFCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c2c(=O)[nH]n(C)c2n1 ZINC000813684650 660060304 /nfs/dbraw/zinc/06/03/04/660060304.db2.gz UCJPBLOMQRJWOM-UHFFFAOYSA-N 0 1 381.219 2.925 20 10 GFCDMN C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)cc1[O-] ZINC000841748003 661311838 /nfs/dbraw/zinc/31/18/38/661311838.db2.gz GKNLEMREXDTXQI-JQWIXIFHSA-N 0 1 375.899 2.593 20 10 GFCDMN COc1cc(Br)cc([C@@H](C)NCc2ccnc(N(C)C)n2)c1O ZINC000848537940 661662685 /nfs/dbraw/zinc/66/26/85/661662685.db2.gz PVCMSKXQTZADCE-SNVBAGLBSA-N 0 1 381.274 2.870 20 10 GFCDMN C[C@@H](NCc1c(O)cccc1Br)C(=O)NCCc1ccccc1 ZINC000858175065 662103244 /nfs/dbraw/zinc/10/32/44/662103244.db2.gz GCWGJRRWFPOBTK-CYBMUJFWSA-N 0 1 377.282 2.992 20 10 GFCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)NCCc1ccccc1 ZINC000858175065 662103246 /nfs/dbraw/zinc/10/32/46/662103246.db2.gz GCWGJRRWFPOBTK-CYBMUJFWSA-N 0 1 377.282 2.992 20 10 GFCDMN COc1ccc(C[C@@H](CO)C[NH2+]Cc2c([O-])cccc2Br)cc1O ZINC000862367608 662283056 /nfs/dbraw/zinc/28/30/56/662283056.db2.gz OZRHUFBEMFATQC-CYBMUJFWSA-N 0 1 396.281 2.810 20 10 GFCDMN COc1cc(Br)cc(CN[C@](C)(CO)c2cccc(O)c2)c1O ZINC000862432827 662287631 /nfs/dbraw/zinc/28/76/31/662287631.db2.gz ORTGJTVNLHCBOD-QGZVFWFLSA-N 0 1 382.254 2.866 20 10 GFCDMN COc1cccc([C@H](C)NCc2c(I)cnn2C)c1O ZINC000866631928 662486239 /nfs/dbraw/zinc/48/62/39/662486239.db2.gz TZKLNQJYDHQMCS-VIFPVBQESA-N 0 1 387.221 2.590 20 10 GFCDMN CC1CCN(c2ccc(CNCc3ccc(S(N)(=O)=O)s3)cc2)CC1 ZINC000877024695 662869772 /nfs/dbraw/zinc/86/97/72/662869772.db2.gz LRIBFPZJXKUIDH-UHFFFAOYSA-N 0 1 379.551 2.922 20 10 GFCDMN NC(=O)Cc1cccc2c1CCN(Cc1cc(Br)ccc1O)C2 ZINC000877680362 662881830 /nfs/dbraw/zinc/88/18/30/662881830.db2.gz WSCPKQMVGLFYHO-UHFFFAOYSA-N 0 1 375.266 2.741 20 10 GFCDMN O=C(c1ccco1)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893871599 663429250 /nfs/dbraw/zinc/42/92/50/663429250.db2.gz LWWVEQVJNCUWCG-UHFFFAOYSA-N 0 1 383.217 2.845 20 10 GFCDMN O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893968108 663434186 /nfs/dbraw/zinc/43/41/86/663434186.db2.gz XRQLCCWSQWFGNJ-GFCCVEGCSA-N 0 1 388.693 2.798 20 10 GFCDMN O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893968108 663434189 /nfs/dbraw/zinc/43/41/89/663434189.db2.gz XRQLCCWSQWFGNJ-GFCCVEGCSA-N 0 1 388.693 2.798 20 10 GFCDMN CCc1nc(CN2CCN(Cc3cc(Br)cc(F)c3O)CC2)no1 ZINC000894017977 663437271 /nfs/dbraw/zinc/43/72/71/663437271.db2.gz VIIQLPGVVMBWAR-UHFFFAOYSA-N 0 1 399.264 2.557 20 10 GFCDMN CS(=O)(=O)[C@@H]1CCCCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894573956 663469560 /nfs/dbraw/zinc/46/95/60/663469560.db2.gz YNZPYUHCHUTSRO-GFCCVEGCSA-N 0 1 380.279 2.693 20 10 GFCDMN CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894787496 663481706 /nfs/dbraw/zinc/48/17/06/663481706.db2.gz SFBRWHWKFGEMNN-GFCCVEGCSA-N 0 1 376.469 2.552 20 10 GFCDMN CS(=O)(=O)C[C@H]1CCCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894851009 663485114 /nfs/dbraw/zinc/48/51/14/663485114.db2.gz MJIFQXKZCZHFAR-JTQLQIEISA-N 0 1 380.279 2.550 20 10 GFCDMN O=S1(=O)CC[C@]2(C1)CCCN(Cc1cc(Br)cc(F)c1O)C2 ZINC000894912169 663487979 /nfs/dbraw/zinc/48/79/79/663487979.db2.gz RGVWLRURKUNXPZ-OAHLLOKOSA-N 0 1 392.290 2.695 20 10 GFCDMN CNC(=O)[C@H]1CCCN1Cc1cc(Br)cc(Br)c1O ZINC000179786411 552203015 /nfs/dbraw/zinc/20/30/15/552203015.db2.gz XNCREHVNFWSQGK-LLVKDONJSA-N 0 1 392.091 2.628 20 10 GFCDMN Cc1cc(Br)cc(CN2CCC(N3C(=O)CCCC3=O)CC2)c1O ZINC000372462778 563307928 /nfs/dbraw/zinc/30/79/28/563307928.db2.gz GHDIWKJZMJLLCM-UHFFFAOYSA-N 0 1 395.297 2.967 20 10 GFCDMN CCOCC[N@H+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC ZINC000737177808 600214415 /nfs/dbraw/zinc/21/44/15/600214415.db2.gz SQIDBSLEKUQHAD-IQIBNGDESA-N 0 1 377.441 2.630 20 10 GFCDMN CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833694634 604943313 /nfs/dbraw/zinc/94/33/13/604943313.db2.gz AJVXFZLXWDXNCO-KRWDZBQOSA-N 0 1 375.513 2.534 20 10 GFCDMN CN(Cc1cccs1)c1ccc(CN2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000823453713 660372786 /nfs/dbraw/zinc/37/27/86/660372786.db2.gz XQCUEKHRQALCPK-QGZVFWFLSA-N 0 1 379.551 2.637 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823726506 660378668 /nfs/dbraw/zinc/37/86/68/660378668.db2.gz AJUPZOGNDMNYMO-UHFFFAOYSA-N 0 1 390.241 2.503 20 10 GFCDMN C[N@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000824807740 660402553 /nfs/dbraw/zinc/40/25/53/660402553.db2.gz HYEYRXLGOQYESQ-NSHDSACASA-N 0 1 381.192 2.750 20 10 GFCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000824807740 660402557 /nfs/dbraw/zinc/40/25/57/660402557.db2.gz HYEYRXLGOQYESQ-NSHDSACASA-N 0 1 381.192 2.750 20 10 GFCDMN CN(Cc1ccc(Br)cc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000824807740 660402559 /nfs/dbraw/zinc/40/25/59/660402559.db2.gz HYEYRXLGOQYESQ-NSHDSACASA-N 0 1 381.192 2.750 20 10 GFCDMN CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825138566 660412446 /nfs/dbraw/zinc/41/24/46/660412446.db2.gz PMFOGUAFOYFQMF-NSHDSACASA-N 0 1 399.310 2.914 20 10 GFCDMN O=C1[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCCN1Cc1ccccn1 ZINC000825489229 660429973 /nfs/dbraw/zinc/42/99/73/660429973.db2.gz FSGXPKZVOXVCNX-MRXNPFEDSA-N 0 1 390.281 2.831 20 10 GFCDMN CC(=O)Nc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000063823945 654858864 /nfs/dbraw/zinc/85/88/64/654858864.db2.gz CRUZKGCDDDMCJF-WJDWOHSUSA-N 0 1 375.519 2.940 20 10 GFCDMN O=S1(=O)CC[C@@H](NCc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838780902 661056715 /nfs/dbraw/zinc/05/67/15/661056715.db2.gz BVEYQDUBJOODPF-CQSZACIVSA-N 0 1 387.343 2.716 20 10 GFCDMN CC(=O)NC[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172169209 655156734 /nfs/dbraw/zinc/15/67/34/655156734.db2.gz RKAOVPFRBADYNS-HNNXBMFYSA-N 0 1 393.281 2.645 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839738640 661103682 /nfs/dbraw/zinc/10/36/82/661103682.db2.gz BAOGSEKGWLUGBA-AWEZNQCLSA-N 0 1 399.354 2.988 20 10 GFCDMN CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277477263 655321758 /nfs/dbraw/zinc/32/17/58/655321758.db2.gz PKFZLBODPAVHGU-CYBMUJFWSA-N 0 1 384.318 2.932 20 10 GFCDMN CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277477263 655321761 /nfs/dbraw/zinc/32/17/61/655321761.db2.gz PKFZLBODPAVHGU-CYBMUJFWSA-N 0 1 384.318 2.932 20 10 GFCDMN CCN(CC)S(=O)(=O)c1ccc(CNCc2c(O)cccc2OC)s1 ZINC000725848724 655527892 /nfs/dbraw/zinc/52/78/92/655527892.db2.gz DXFKGIRPBJSJLZ-UHFFFAOYSA-N 0 1 384.523 2.783 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000764852839 656121272 /nfs/dbraw/zinc/12/12/72/656121272.db2.gz XMVKKFJRNSXXTN-AWEZNQCLSA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000764852839 656121275 /nfs/dbraw/zinc/12/12/75/656121275.db2.gz XMVKKFJRNSXXTN-AWEZNQCLSA-N 0 1 382.302 2.971 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769008476 656263067 /nfs/dbraw/zinc/26/30/67/656263067.db2.gz YPGLMQJTQLEKNQ-OCCSQVGLSA-N 0 1 385.302 2.518 20 10 GFCDMN COCn1nc(C)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000805135625 659747637 /nfs/dbraw/zinc/74/76/37/659747637.db2.gz PEVAUENOOCXSFN-UHFFFAOYSA-N 0 1 394.280 2.595 20 10 GFCDMN CS(=O)(=O)CCCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805310954 659764816 /nfs/dbraw/zinc/76/48/16/659764816.db2.gz RDQKLHKCCSAEIL-UHFFFAOYSA-N 0 1 383.297 2.713 20 10 GFCDMN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000806849536 659843180 /nfs/dbraw/zinc/84/31/80/659843180.db2.gz NLKNPJAGLABRDG-VXGBXAGGSA-N 0 1 395.308 2.854 20 10 GFCDMN COCc1csc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807512794 659857482 /nfs/dbraw/zinc/85/74/82/659857482.db2.gz JULALVNOXJUCES-UHFFFAOYSA-N 0 1 390.248 2.557 20 10 GFCDMN COc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)n1 ZINC000807513274 659857534 /nfs/dbraw/zinc/85/75/34/659857534.db2.gz XFWDWPXCOGDZKO-UHFFFAOYSA-N 0 1 384.219 2.666 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncc(N2CCOCC2)c1 ZINC000807837051 659866643 /nfs/dbraw/zinc/86/66/43/659866643.db2.gz ZCXJDQZDIIDDEW-UHFFFAOYSA-N 0 1 382.247 2.861 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000807839172 659866969 /nfs/dbraw/zinc/86/69/69/659866969.db2.gz IVCACWHXBBBULR-NSHDSACASA-N 0 1 383.231 2.957 20 10 GFCDMN COc1cc(Br)cc(CN2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000843416391 661380690 /nfs/dbraw/zinc/38/06/90/661380690.db2.gz RAIGZKOGZJIXQF-CYBMUJFWSA-N 0 1 379.258 2.640 20 10 GFCDMN COc1ccc(N(C)CCN(C)C(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000846442018 661551086 /nfs/dbraw/zinc/55/10/86/661551086.db2.gz ICMCXFVNAUGFAN-UHFFFAOYSA-N 0 1 384.552 2.522 20 10 GFCDMN CCc1noc(C[C@]2(O)CCCN(Cc3cc(Br)ccc3O)C2)n1 ZINC000856593571 662037321 /nfs/dbraw/zinc/03/73/21/662037321.db2.gz UJXPEDGGBWGOGA-QGZVFWFLSA-N 0 1 396.285 2.670 20 10 GFCDMN C[C@H](NCc1c(O)cccc1Br)C(=O)NCCc1ccccc1 ZINC000858171976 662102993 /nfs/dbraw/zinc/10/29/93/662102993.db2.gz GCWGJRRWFPOBTK-ZDUSSCGKSA-N 0 1 377.282 2.992 20 10 GFCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)NCCc1ccccc1 ZINC000858171976 662103001 /nfs/dbraw/zinc/10/30/01/662103001.db2.gz GCWGJRRWFPOBTK-ZDUSSCGKSA-N 0 1 377.282 2.992 20 10 GFCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862399903 662285149 /nfs/dbraw/zinc/28/51/49/662285149.db2.gz GTUGEECIAKOBBX-ZDUSSCGKSA-N 0 1 381.192 2.655 20 10 GFCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862399903 662285152 /nfs/dbraw/zinc/28/51/52/662285152.db2.gz GTUGEECIAKOBBX-ZDUSSCGKSA-N 0 1 381.192 2.655 20 10 GFCDMN COCCCN1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882960351 663045450 /nfs/dbraw/zinc/04/54/50/663045450.db2.gz HLZIKZJJRUWJCE-UHFFFAOYSA-N 0 1 375.282 2.884 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000883725368 663059852 /nfs/dbraw/zinc/05/98/52/663059852.db2.gz SZKHMVGNZQMUGJ-QGZVFWFLSA-N 0 1 385.339 2.822 20 10 GFCDMN C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)CCS1(=O)=O ZINC000894567856 663469362 /nfs/dbraw/zinc/46/93/62/663469362.db2.gz XJNDWCXOFQTQMR-VIFPVBQESA-N 0 1 382.707 2.817 20 10 GFCDMN O=S1(=O)CC[C@@]2(C1)CCCN(Cc1cc(Br)cc(F)c1O)C2 ZINC000894912168 663488034 /nfs/dbraw/zinc/48/80/34/663488034.db2.gz RGVWLRURKUNXPZ-HNNXBMFYSA-N 0 1 392.290 2.695 20 10 GFCDMN COc1cccc(CN[C@@H](CO)c2ccccc2I)c1O ZINC000898513442 663654640 /nfs/dbraw/zinc/65/46/40/663654640.db2.gz UQIYLONBWOBCFM-AWEZNQCLSA-N 0 1 399.228 2.829 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Br)ccc1[O-] ZINC000903394993 663783515 /nfs/dbraw/zinc/78/35/15/663783515.db2.gz GHXJFXIXFXAOKP-ZYHUDNBSSA-N 0 1 379.258 2.580 20 10 GFCDMN Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Br)cc(F)c2[O-])n[nH]1 ZINC000922408440 664600353 /nfs/dbraw/zinc/60/03/53/664600353.db2.gz RMXDCQXQRYTNHL-YMTOWFKASA-N 0 1 385.237 2.588 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[NH2+]C1(c2ncccn2)CCOCC1 ZINC000923011108 664621106 /nfs/dbraw/zinc/62/11/06/664621106.db2.gz JOUYGEKFMBRMLH-UHFFFAOYSA-N 0 1 382.233 2.879 20 10 GFCDMN COCCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000092361835 551194637 /nfs/dbraw/zinc/19/46/37/551194637.db2.gz UZRWNMAZHYKVDN-UHFFFAOYSA-N 0 1 385.302 2.519 20 10 GFCDMN CN(Cc1cc(Br)ccc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646512 551194861 /nfs/dbraw/zinc/19/48/61/551194861.db2.gz MDQILFAYKYDZPX-HIFRSBDPSA-N 0 1 376.316 2.942 20 10 GFCDMN CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Br)ccc1[O-] ZINC000156721604 551527376 /nfs/dbraw/zinc/52/73/76/551527376.db2.gz GYHCQTPMAQWAGA-JSGCOSHPSA-N 0 1 395.301 2.948 20 10 GFCDMN CC[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000364363006 563751526 /nfs/dbraw/zinc/75/15/26/563751526.db2.gz XQORSDPEIIKYBR-KBPBESRZSA-N 0 1 393.285 2.734 20 10 GFCDMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N(C)Cc1ccccc1O ZINC000735571546 598701426 /nfs/dbraw/zinc/70/14/26/598701426.db2.gz YQQYVGLPOGHYPN-NSHDSACASA-N 0 1 398.492 2.582 20 10 GFCDMN CN(C)C(=O)c1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000737355953 600142734 /nfs/dbraw/zinc/14/27/34/600142734.db2.gz GUSJBKMDXPBZEQ-UHFFFAOYSA-N 0 1 376.840 2.834 20 10 GFCDMN O=C([O-])c1sccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000739273209 600143426 /nfs/dbraw/zinc/14/34/26/600143426.db2.gz FEHIQBJEXOFTDS-CQSZACIVSA-N 0 1 390.461 2.772 20 10 GFCDMN O=C([O-])c1sccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000739273209 600143429 /nfs/dbraw/zinc/14/34/29/600143429.db2.gz FEHIQBJEXOFTDS-CQSZACIVSA-N 0 1 390.461 2.772 20 10 GFCDMN COc1cc(O)c(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1OC ZINC000833729791 604545129 /nfs/dbraw/zinc/54/51/29/604545129.db2.gz ZQZGKLMSOYRHOG-AWEZNQCLSA-N 0 1 386.448 2.818 20 10 GFCDMN CN(C)c1ccc(C[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C2CC2)cc1 ZINC000830635367 604967909 /nfs/dbraw/zinc/96/79/09/604967909.db2.gz LEOKUVGXNQAJNP-UNOMPAQXSA-N 0 1 389.521 2.609 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824606244 660397972 /nfs/dbraw/zinc/39/79/72/660397972.db2.gz QBGRJNONPIQPPD-GXTWGEPZSA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824606244 660397974 /nfs/dbraw/zinc/39/79/74/660397974.db2.gz QBGRJNONPIQPPD-GXTWGEPZSA-N 0 1 385.302 2.518 20 10 GFCDMN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825197708 660414892 /nfs/dbraw/zinc/41/48/92/660414892.db2.gz RVDYFFMDBYECIE-LLVKDONJSA-N 0 1 399.310 2.914 20 10 GFCDMN CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825197709 660414898 /nfs/dbraw/zinc/41/48/98/660414898.db2.gz RVDYFFMDBYECIE-NSHDSACASA-N 0 1 399.310 2.914 20 10 GFCDMN CS(=O)(=O)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H]1C(F)(F)F ZINC000826894064 660470350 /nfs/dbraw/zinc/47/03/50/660470350.db2.gz IOGUKTXZFAJJKA-PRHODGIISA-N 0 1 375.771 2.592 20 10 GFCDMN COc1nc(N2CCN(Cc3cc(C)ccc3O)CC2)ncc1Br ZINC000093079419 655017251 /nfs/dbraw/zinc/01/72/51/655017251.db2.gz KNJQSTXRVDXMNM-UHFFFAOYSA-N 0 1 393.285 2.584 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000174426563 655202243 /nfs/dbraw/zinc/20/22/43/655202243.db2.gz JVKCSNFNRIIYBO-HNNXBMFYSA-N 0 1 393.285 2.516 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769008472 656263111 /nfs/dbraw/zinc/26/31/11/656263111.db2.gz YPGLMQJTQLEKNQ-GXTWGEPZSA-N 0 1 385.302 2.518 20 10 GFCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783741319 657257773 /nfs/dbraw/zinc/25/77/73/657257773.db2.gz LOXIYPYCKZMCST-TVQRCGJNSA-N 0 1 377.076 2.731 20 10 GFCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783741319 657257787 /nfs/dbraw/zinc/25/77/87/657257787.db2.gz LOXIYPYCKZMCST-TVQRCGJNSA-N 0 1 377.076 2.731 20 10 GFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000788494216 657730507 /nfs/dbraw/zinc/73/05/07/657730507.db2.gz WAMSMMVYQMFXRE-UHFFFAOYSA-N 0 1 385.825 2.950 20 10 GFCDMN COc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(O)c1 ZINC000795961175 658877439 /nfs/dbraw/zinc/87/74/39/658877439.db2.gz BBVGILRIJNOKTJ-UHFFFAOYSA-N 0 1 390.776 2.580 20 10 GFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cnn(CC(F)F)c1 ZINC000805135204 659747854 /nfs/dbraw/zinc/74/78/54/659747854.db2.gz QBTWVWITRKZZEB-UHFFFAOYSA-N 0 1 386.207 2.639 20 10 GFCDMN Nc1ncc(Cl)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135942 659747975 /nfs/dbraw/zinc/74/79/75/659747975.db2.gz WSRSTQYFYQCSSU-UHFFFAOYSA-N 0 1 382.656 2.808 20 10 GFCDMN CC1=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@H](C)n2ncnc2N1C ZINC000813685520 660060567 /nfs/dbraw/zinc/06/05/67/660060567.db2.gz JUFFMCJWYPMJQO-VIFPVBQESA-N 0 1 382.251 2.892 20 10 GFCDMN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000856592888 662037204 /nfs/dbraw/zinc/03/72/04/662037204.db2.gz MXSRJAGPCLFGRN-KRWDZBQOSA-N 0 1 396.285 2.670 20 10 GFCDMN CN(c1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1)S(C)(=O)=O ZINC000858133949 662100320 /nfs/dbraw/zinc/10/03/20/662100320.db2.gz DLYTWUXHTJQWRO-UHFFFAOYSA-N 0 1 399.310 2.840 20 10 GFCDMN CN(C)Cc1ccnc(NC(=O)NCc2cccc(Br)c2O)c1 ZINC000880601068 662963834 /nfs/dbraw/zinc/96/38/34/662963834.db2.gz KUZRSGNIFBBRCN-UHFFFAOYSA-N 0 1 379.258 2.933 20 10 GFCDMN CC(C)[C@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])N1CCN(C)CC1 ZINC000882886682 663044599 /nfs/dbraw/zinc/04/45/99/663044599.db2.gz HEMZKZXHEOGPNV-INIZCTEOSA-N 0 1 388.325 2.655 20 10 GFCDMN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])CN1CCN(C)CC1 ZINC000882980029 663045961 /nfs/dbraw/zinc/04/59/61/663045961.db2.gz WSJDAOYBRUVMKC-LBPRGKRZSA-N 0 1 390.753 2.781 20 10 GFCDMN CN(C)C(=O)CN(Cc1cc(Br)cc(F)c1O)CC(F)(F)F ZINC000893960076 663433679 /nfs/dbraw/zinc/43/36/79/663433679.db2.gz REHBEQVHHOCQGN-UHFFFAOYSA-N 0 1 387.171 2.746 20 10 GFCDMN C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc(Br)c1O ZINC000894039892 663439023 /nfs/dbraw/zinc/43/90/23/663439023.db2.gz OINPITAYIAPYRR-IUCAKERBSA-N 0 1 382.707 2.816 20 10 GFCDMN Cn1ncc(I)c1CNCCCSc1nccs1 ZINC000894303381 663453398 /nfs/dbraw/zinc/45/33/98/663453398.db2.gz IZJGDUABWXSCCR-UHFFFAOYSA-N 0 1 394.307 2.753 20 10 GFCDMN COC(=O)c1cc(S(=O)(=O)NCCCSc2nccs2)oc1Cl ZINC000906943499 663984691 /nfs/dbraw/zinc/98/46/91/663984691.db2.gz DOHAWUNKHQTSHJ-UHFFFAOYSA-N 0 1 396.899 2.637 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1COCCN1CC(F)(F)F ZINC000377100830 563463150 /nfs/dbraw/zinc/46/31/50/563463150.db2.gz QWBXCJKJZKGXHE-LLVKDONJSA-N 0 1 387.185 2.578 20 10 GFCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000291519361 563745888 /nfs/dbraw/zinc/74/58/88/563745888.db2.gz IYDLMSNPMJJVGE-JTQLQIEISA-N 0 1 380.794 2.945 20 10 GFCDMN Fc1cc(-c2nn[nH]n2)ccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000822744433 607474575 /nfs/dbraw/zinc/47/45/75/607474575.db2.gz SXNDRXLXIHLTQD-UHFFFAOYSA-N 0 1 384.484 2.849 20 10 GFCDMN CCOc1ccc(O)c(CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000825643767 608853086 /nfs/dbraw/zinc/85/30/86/608853086.db2.gz UBVSUNAIRHNJSN-LJQANCHMSA-N 0 1 381.436 2.545 20 10 GFCDMN O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1[O-])Cc1ccccc1 ZINC000825168499 660412903 /nfs/dbraw/zinc/41/29/03/660412903.db2.gz YWAMMNJRYFLJIN-UHFFFAOYSA-N 0 1 384.295 2.859 20 10 GFCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@H]1COCCO1 ZINC000827140155 660480788 /nfs/dbraw/zinc/48/07/88/660480788.db2.gz ILEORTVWCWYASF-NSHDSACASA-N 0 1 395.091 2.764 20 10 GFCDMN CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1[O-] ZINC000132330607 654934094 /nfs/dbraw/zinc/93/40/94/654934094.db2.gz QTLBLGRRUNQWJY-UHFFFAOYSA-N 0 1 396.241 2.747 20 10 GFCDMN CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1[O-] ZINC000132330607 654934095 /nfs/dbraw/zinc/93/40/95/654934095.db2.gz QTLBLGRRUNQWJY-UHFFFAOYSA-N 0 1 396.241 2.747 20 10 GFCDMN O=C(c1cccc(O)c1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000092937724 655016471 /nfs/dbraw/zinc/01/64/71/655016471.db2.gz LGMBZYDVJWGIBH-UHFFFAOYSA-N 0 1 391.265 2.818 20 10 GFCDMN Cc1nsc(N2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000093716793 655020644 /nfs/dbraw/zinc/02/06/44/655020644.db2.gz GLLWPJNYVDJNLK-UHFFFAOYSA-N 0 1 383.861 2.826 20 10 GFCDMN CN1CC[C@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2[O-])C1=O ZINC000271785536 655094684 /nfs/dbraw/zinc/09/46/84/655094684.db2.gz IGCSFEMELAJQHB-NSHDSACASA-N 0 1 392.091 2.580 20 10 GFCDMN O=S1(=O)CCN(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cc2)CC1 ZINC000733330669 655612863 /nfs/dbraw/zinc/61/28/63/655612863.db2.gz HQBCNWFXELMFBL-UHFFFAOYSA-N 0 1 380.897 2.570 20 10 GFCDMN O=C(NCc1ccc(O)c(O)c1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000768083624 656232086 /nfs/dbraw/zinc/23/20/86/656232086.db2.gz YMEOPLBEDSXSAM-UHFFFAOYSA-N 0 1 389.205 2.632 20 10 GFCDMN O=S1(=O)CCN(c2ccc(CNCc3scnc3C3CC3)cc2)CC1 ZINC000785465308 657365941 /nfs/dbraw/zinc/36/59/41/657365941.db2.gz FTWJMJKWYHTYHK-UHFFFAOYSA-N 0 1 377.535 2.545 20 10 GFCDMN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2csc3ccccc32)cc1 ZINC000795360859 658811175 /nfs/dbraw/zinc/81/11/75/658811175.db2.gz BTSFZRISEXMDFQ-UHFFFAOYSA-N 0 1 397.503 2.578 20 10 GFCDMN C[C@H]([C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCOCC1 ZINC000805137401 659748678 /nfs/dbraw/zinc/74/86/78/659748678.db2.gz OPAXBBINFWJJEY-WDEREUQCSA-N 0 1 376.284 2.607 20 10 GFCDMN COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838819 659866844 /nfs/dbraw/zinc/86/68/44/659866844.db2.gz RLHCHCULDZCQCN-LBPRGKRZSA-N 0 1 393.267 2.855 20 10 GFCDMN CCN(CC)CCS(=O)(=O)N(CC)Cc1cc(Br)ccc1O ZINC000810054314 659958168 /nfs/dbraw/zinc/95/81/68/659958168.db2.gz NTYUVPUQEOTZDG-UHFFFAOYSA-N 0 1 393.347 2.648 20 10 GFCDMN NC(=O)c1cccc(OCCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813684148 660060315 /nfs/dbraw/zinc/06/03/15/660060315.db2.gz KQHGAQSAEQVJAG-UHFFFAOYSA-N 0 1 383.231 2.883 20 10 GFCDMN C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)cc1[O-] ZINC000841748006 661311655 /nfs/dbraw/zinc/31/16/55/661311655.db2.gz GKNLEMREXDTXQI-PWSUYJOCSA-N 0 1 375.899 2.593 20 10 GFCDMN Cc1cccc(O)c1CN1CCC(n2nncc2I)CC1 ZINC000877632125 662880354 /nfs/dbraw/zinc/88/03/54/662880354.db2.gz 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ZINC000924666535 664659395 /nfs/dbraw/zinc/65/93/95/664659395.db2.gz AINVTADNMFZEPF-UHFFFAOYSA-N 0 1 379.258 2.615 20 10 GFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2[O-])cn1 ZINC000373168114 563330598 /nfs/dbraw/zinc/33/05/98/563330598.db2.gz TYXACOMNNYFAJE-DOTOQJQBSA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Br)ccc2[O-])cn1 ZINC000373168114 563330602 /nfs/dbraw/zinc/33/06/02/563330602.db2.gz TYXACOMNNYFAJE-DOTOQJQBSA-N 0 1 380.286 2.976 20 10 GFCDMN COC(=O)[C@@H](CF)NCc1cc(Br)cc(Br)c1O ZINC000290057299 563696594 /nfs/dbraw/zinc/69/65/94/563696594.db2.gz FBZINTIPOVTKBP-SECBINFHSA-N 0 1 385.027 2.518 20 10 GFCDMN COCC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000366464391 563809219 /nfs/dbraw/zinc/80/92/19/563809219.db2.gz UHLWYLISBBMNAR-UHFFFAOYSA-N 0 1 377.268 2.941 20 10 GFCDMN O=S(=O)(Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc2nsnc21 ZINC000606827955 565971215 /nfs/dbraw/zinc/97/12/15/565971215.db2.gz KPFORZXPVSCETE-ZDUSSCGKSA-N 0 1 377.447 2.660 20 10 GFCDMN O=C([O-])C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1O ZINC000739794397 600145463 /nfs/dbraw/zinc/14/54/63/600145463.db2.gz XQRRIWPXJUANFU-UHFFFAOYSA-N 0 1 380.784 2.919 20 10 GFCDMN O=S(=O)(CCNCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000818996563 660242399 /nfs/dbraw/zinc/24/23/99/660242399.db2.gz INIUPGQYLFBXRA-UHFFFAOYSA-N 0 1 396.306 2.948 20 10 GFCDMN O=S1(=O)C[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])c2ccccc21 ZINC000824515035 660395524 /nfs/dbraw/zinc/39/55/24/660395524.db2.gz CVXCZXLUVHJRMB-LBPRGKRZSA-N 0 1 382.279 2.815 20 10 GFCDMN CN(c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1)S(C)(=O)=O ZINC000825222319 660415852 /nfs/dbraw/zinc/41/58/52/660415852.db2.gz CRKXFACTWIYVHY-UHFFFAOYSA-N 0 1 399.310 2.840 20 10 GFCDMN Cc1nnc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000830545417 660662770 /nfs/dbraw/zinc/66/27/70/660662770.db2.gz YOIQFHDMLVUEJX-AWEZNQCLSA-N 0 1 380.901 2.529 20 10 GFCDMN O=C(CNCc1ccc(N2CCCCC2)c(Br)c1)NCC(F)F ZINC000839072431 661071259 /nfs/dbraw/zinc/07/12/59/661071259.db2.gz SUZKSNNTUXSFQL-UHFFFAOYSA-N 0 1 390.272 2.910 20 10 GFCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000171262668 655150292 /nfs/dbraw/zinc/15/02/92/655150292.db2.gz XFYODHPQRWGDJZ-UHFFFAOYSA-N 0 1 378.834 2.651 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000174424481 655201939 /nfs/dbraw/zinc/20/19/39/655201939.db2.gz RFGZMUOTJVLHGA-HOTGVXAUSA-N 0 1 388.302 2.533 20 10 GFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000174424481 655201942 /nfs/dbraw/zinc/20/19/42/655201942.db2.gz RFGZMUOTJVLHGA-HOTGVXAUSA-N 0 1 388.302 2.533 20 10 GFCDMN CCN(CC(=O)NCc1cccnc1)Cc1cc(Br)ccc1O ZINC000174423118 655202007 /nfs/dbraw/zinc/20/20/07/655202007.db2.gz FMQISILCFMFZNE-UHFFFAOYSA-N 0 1 378.270 2.688 20 10 GFCDMN CCN(CC(=O)Nc1cc(C)nn1C)Cc1cc(Br)ccc1O ZINC000174424999 655202319 /nfs/dbraw/zinc/20/23/19/655202319.db2.gz MTLOWAFDNJDPHK-UHFFFAOYSA-N 0 1 381.274 2.657 20 10 GFCDMN COc1ccsc1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769967434 656302287 /nfs/dbraw/zinc/30/22/87/656302287.db2.gz KCVUCMORPKRFLL-CQSZACIVSA-N 0 1 380.535 2.842 20 10 GFCDMN [NH3+][C@H]1CCc2ncc(NC(=O)NCc3cccc(Br)c3[O-])cc2C1 ZINC000841322085 661252142 /nfs/dbraw/zinc/25/21/42/661252142.db2.gz NELUJYXYOKIRAT-LBPRGKRZSA-N 0 1 391.269 2.687 20 10 GFCDMN C[C@H]1CN(C)C(=O)CN1Cc1cc(Br)cc(Br)c1O ZINC000783733209 657256141 /nfs/dbraw/zinc/25/61/41/657256141.db2.gz KXAVMSPASDZMLF-QMMMGPOBSA-N 0 1 392.091 2.580 20 10 GFCDMN CC1(C)CNC(=O)CN1Cc1cc(Br)cc(Br)c1O ZINC000800539086 659315958 /nfs/dbraw/zinc/31/59/58/659315958.db2.gz MRHFKHAYXVDDRG-UHFFFAOYSA-N 0 1 392.091 2.628 20 10 GFCDMN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000806849534 659843101 /nfs/dbraw/zinc/84/31/01/659843101.db2.gz NLKNPJAGLABRDG-RYUDHWBXSA-N 0 1 395.308 2.854 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc2c(s1)CCC2 ZINC000807511805 659857248 /nfs/dbraw/zinc/85/72/48/659857248.db2.gz VYNQQPRSVQHDIB-UHFFFAOYSA-N 0 1 386.260 2.899 20 10 GFCDMN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836850 659866545 /nfs/dbraw/zinc/86/65/45/659866545.db2.gz RIJDEXYDQKFPGR-UHFFFAOYSA-N 0 1 382.203 2.777 20 10 GFCDMN NS(=O)(=O)c1cc(NCc2cc(Cl)cc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC000808089831 659876258 /nfs/dbraw/zinc/87/62/58/659876258.db2.gz LATNUAGNHGGKQG-UHFFFAOYSA-N 0 1 392.220 2.867 20 10 GFCDMN C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847407790 661591231 /nfs/dbraw/zinc/59/12/31/661591231.db2.gz DYHBFPDPKFNZFL-SDDRHHMPSA-N 0 1 390.311 2.996 20 10 GFCDMN CCS(=O)(=O)C1(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000850557332 661781634 /nfs/dbraw/zinc/78/16/34/661781634.db2.gz NJSWPSXOUAYBRF-AWEZNQCLSA-N 0 1 386.945 2.795 20 10 GFCDMN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858113568 662099503 /nfs/dbraw/zinc/09/95/03/662099503.db2.gz VDFVXTILXOVTRN-UHFFFAOYSA-N 0 1 399.310 2.531 20 10 GFCDMN CCNS(=O)(=O)c1cccc(CNCc2c(O)cccc2Br)c1 ZINC000862390988 662284808 /nfs/dbraw/zinc/28/48/08/662284808.db2.gz DMMYRBIMFPUFEM-UHFFFAOYSA-N 0 1 399.310 2.743 20 10 GFCDMN COC(=O)c1ccn(CCCC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000880003330 662944901 /nfs/dbraw/zinc/94/49/01/662944901.db2.gz DROGSYPFYMZQHN-UHFFFAOYSA-N 0 1 386.235 2.779 20 10 GFCDMN [O-]c1cc(Br)cnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895450874 663514792 /nfs/dbraw/zinc/51/47/92/663514792.db2.gz DTBDHAUBFSXRGM-UHFFFAOYSA-N 0 1 392.297 2.801 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898186535 663637785 /nfs/dbraw/zinc/63/77/85/663637785.db2.gz DBQTXHUBGNRJRY-WDEREUQCSA-N 0 1 383.055 2.822 20 10 GFCDMN CN1CCN(c2ccc(CNC(=S)Nc3ccc(Cl)nc3)cc2)CC1 ZINC000905528614 663876569 /nfs/dbraw/zinc/87/65/69/663876569.db2.gz FKWIEVREFPYKRF-UHFFFAOYSA-N 0 1 375.929 2.973 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927636521 664713123 /nfs/dbraw/zinc/71/31/23/664713123.db2.gz YPLQLCWVOPKOLV-CQSZACIVSA-N 0 1 388.295 2.752 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cc(Br)ccc1[O-] ZINC000375510879 563407777 /nfs/dbraw/zinc/40/77/77/563407777.db2.gz XEEFHCNFKGKOBZ-OMXAPOSASA-N 0 1 393.285 2.559 20 10 GFCDMN C[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc(F)ccc1[O-] ZINC000375837487 563420750 /nfs/dbraw/zinc/42/07/50/563420750.db2.gz GSOZOLDRFYNJBL-CHWSQXEVSA-N 0 1 384.498 2.954 20 10 GFCDMN COCCC[N@H+]1CCCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000362385956 563706474 /nfs/dbraw/zinc/70/64/74/563706474.db2.gz MFLUGZXRAUBFKN-UHFFFAOYSA-N 0 1 387.318 2.708 20 10 GFCDMN COc1ccc(N2CCCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000363138328 563715116 /nfs/dbraw/zinc/71/51/16/563715116.db2.gz SWLYINJQIGQUDL-UHFFFAOYSA-N 0 1 396.563 2.666 20 10 GFCDMN O=C([O-])C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1cc(Cl)ccc1O ZINC000739794406 600315318 /nfs/dbraw/zinc/31/53/18/600315318.db2.gz YEFQVPGLTFPQCE-UHFFFAOYSA-N 0 1 387.823 2.824 20 10 GFCDMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000820427557 607055645 /nfs/dbraw/zinc/05/56/45/607055645.db2.gz SWXPRFVOJRKIJZ-CQSZACIVSA-N 0 1 382.443 2.693 20 10 GFCDMN C[N@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000824807738 660402507 /nfs/dbraw/zinc/40/25/07/660402507.db2.gz HYEYRXLGOQYESQ-LLVKDONJSA-N 0 1 381.192 2.750 20 10 GFCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000824807738 660402510 /nfs/dbraw/zinc/40/25/10/660402510.db2.gz HYEYRXLGOQYESQ-LLVKDONJSA-N 0 1 381.192 2.750 20 10 GFCDMN CN(Cc1ccc(Br)cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000824807738 660402511 /nfs/dbraw/zinc/40/25/11/660402511.db2.gz HYEYRXLGOQYESQ-LLVKDONJSA-N 0 1 381.192 2.750 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000825102584 660410913 /nfs/dbraw/zinc/41/09/13/660410913.db2.gz PKGARUMJVWCSCY-GOSISDBHSA-N 0 1 391.309 2.664 20 10 GFCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C(=O)NCCc1ccccc1 ZINC000825035702 660408218 /nfs/dbraw/zinc/40/82/18/660408218.db2.gz PUZVNJMSSXLRIX-ZDUSSCGKSA-N 0 1 377.282 2.992 20 10 GFCDMN O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825178804 660413618 /nfs/dbraw/zinc/41/36/18/660413618.db2.gz PRSIMVDIAJAJND-UHFFFAOYSA-N 0 1 390.281 2.944 20 10 GFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000092585627 655014681 /nfs/dbraw/zinc/01/46/81/655014681.db2.gz QXXIUOUNALWMHD-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(O)c(Cl)c1 ZINC000097681182 655037459 /nfs/dbraw/zinc/03/74/59/655037459.db2.gz MSIRFHIPXUPJQD-UHFFFAOYSA-N 0 1 380.853 2.533 20 10 GFCDMN CC(=O)NC[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172169206 655156746 /nfs/dbraw/zinc/15/67/46/655156746.db2.gz RKAOVPFRBADYNS-OAHLLOKOSA-N 0 1 393.281 2.645 20 10 GFCDMN O=C(NCCCSc1nccs1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000734358197 655629657 /nfs/dbraw/zinc/62/96/57/655629657.db2.gz CYFRQICJGUCCET-UHFFFAOYSA-N 0 1 378.504 2.993 20 10 GFCDMN COc1ccc(N2CCN(CCNCc3occc3Br)CC2)cc1 ZINC000735324905 655645289 /nfs/dbraw/zinc/64/52/89/655645289.db2.gz YOQBDGQJRZNZQA-UHFFFAOYSA-N 0 1 394.313 2.963 20 10 GFCDMN CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000775496318 656643014 /nfs/dbraw/zinc/64/30/14/656643014.db2.gz GFLJRKSYNCKZJB-ZDUSSCGKSA-N 0 1 393.347 2.913 20 10 GFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(Br)c1 ZINC000776744627 656790773 /nfs/dbraw/zinc/79/07/73/656790773.db2.gz MGSQMCKMVDXXKK-UHFFFAOYSA-N 0 1 386.223 2.742 20 10 GFCDMN CN(CC(N)=O)C(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000790636980 658005276 /nfs/dbraw/zinc/00/52/76/658005276.db2.gz CVVMDQJGURJSTK-UHFFFAOYSA-N 0 1 382.247 2.868 20 10 GFCDMN COc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1O ZINC000795852795 658859525 /nfs/dbraw/zinc/85/95/25/658859525.db2.gz MUHJAQPHCWCABJ-UHFFFAOYSA-N 0 1 390.776 2.580 20 10 GFCDMN C[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CC(=O)N1C ZINC000800537870 659315989 /nfs/dbraw/zinc/31/59/89/659315989.db2.gz HKINVMHTOKNHOK-MRVPVSSYSA-N 0 1 392.091 2.580 20 10 GFCDMN CC(C)Cn1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807512147 659857207 /nfs/dbraw/zinc/85/72/07/659857207.db2.gz MGLOHUGZUGSSED-UHFFFAOYSA-N 0 1 385.251 2.806 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cnn(C(F)F)c1 ZINC000807512827 659857456 /nfs/dbraw/zinc/85/74/56/659857456.db2.gz KZIJUWRGMBXFSP-UHFFFAOYSA-N 0 1 379.150 2.546 20 10 GFCDMN Cc1cccn2c(=O)c(C(=O)NCc3cc(Cl)cc(Cl)c3O)cnc12 ZINC000807839377 659867101 /nfs/dbraw/zinc/86/71/01/659867101.db2.gz CSOWGMAZQSZQBM-UHFFFAOYSA-N 0 1 378.215 2.945 20 10 GFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1F ZINC000808114510 659877634 /nfs/dbraw/zinc/87/76/34/659877634.db2.gz BOMZIACVHYRFJN-UHFFFAOYSA-N 0 1 377.752 2.911 20 10 GFCDMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808115020 659878066 /nfs/dbraw/zinc/87/80/66/659878066.db2.gz LRCWQOIXDLULGI-UHFFFAOYSA-N 0 1 377.752 2.911 20 10 GFCDMN COc1cc(Br)cc(CN2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843416393 661380547 /nfs/dbraw/zinc/38/05/47/661380547.db2.gz RAIGZKOGZJIXQF-ZDUSSCGKSA-N 0 1 379.258 2.640 20 10 GFCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843432473 661381494 /nfs/dbraw/zinc/38/14/94/661381494.db2.gz MCJSJTRXWGUIOC-ZDUSSCGKSA-N 0 1 381.192 2.655 20 10 GFCDMN CCc1noc(C[C@]2(O)CCCN(Cc3ccc(Br)cc3O)C2)n1 ZINC000856597076 662037653 /nfs/dbraw/zinc/03/76/53/662037653.db2.gz RZWSYDZGJMDXTO-QGZVFWFLSA-N 0 1 396.285 2.670 20 10 GFCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@@]1(CO)CCOC1 ZINC000862427410 662287475 /nfs/dbraw/zinc/28/74/75/662287475.db2.gz YCBUADGVUGOPSC-CYBMUJFWSA-N 0 1 395.091 2.500 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000862536780 662290492 /nfs/dbraw/zinc/29/04/92/662290492.db2.gz VEVZQPGCCCLERK-QGZVFWFLSA-N 0 1 392.297 2.540 20 10 GFCDMN O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893968109 663434076 /nfs/dbraw/zinc/43/40/76/663434076.db2.gz XRQLCCWSQWFGNJ-LBPRGKRZSA-N 0 1 388.693 2.798 20 10 GFCDMN O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893968109 663434080 /nfs/dbraw/zinc/43/40/80/663434080.db2.gz XRQLCCWSQWFGNJ-LBPRGKRZSA-N 0 1 388.693 2.798 20 10 GFCDMN C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)C1 ZINC000894014027 663437367 /nfs/dbraw/zinc/43/73/67/663437367.db2.gz HXAVUAVRGVWXFF-HNNXBMFYSA-N 0 1 386.309 2.506 20 10 GFCDMN CC1(C)CN(Cc2cc(Cl)cc(Br)c2O)CCS1(=O)=O ZINC000894064896 663440442 /nfs/dbraw/zinc/44/04/42/663440442.db2.gz NVCWQSORHSZFLJ-UHFFFAOYSA-N 0 1 382.707 2.817 20 10 GFCDMN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000895004776 663494687 /nfs/dbraw/zinc/49/46/87/663494687.db2.gz UGSYEAVMYUQVFL-SFHVURJKSA-N 0 1 375.266 2.784 20 10 GFCDMN C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1cc(Br)cc(F)c1[O-] ZINC000895462111 663515712 /nfs/dbraw/zinc/51/57/12/663515712.db2.gz JVPGKLUOXVMCDO-UHFFFAOYSA-N 0 1 387.293 2.838 20 10 GFCDMN CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Br)cc(F)c1O ZINC000895867337 663531152 /nfs/dbraw/zinc/53/11/52/663531152.db2.gz WBVDODBIGHSXEX-TZMCWYRMSA-N 0 1 390.249 2.884 20 10 GFCDMN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000896814466 663578229 /nfs/dbraw/zinc/57/82/29/663578229.db2.gz PQSSLTMSJUGFPB-UHFFFAOYSA-N 0 1 384.295 2.891 20 10 GFCDMN CN1CCC(N2C(=O)C(=Cc3cccc4[nH]c(=O)oc43)SC2=S)CC1 ZINC000899261029 663681615 /nfs/dbraw/zinc/68/16/15/663681615.db2.gz XMTLKGKADNTNIL-UKTHLTGXSA-N 0 1 375.475 2.829 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Br)ccc1[O-] ZINC000903394988 663783609 /nfs/dbraw/zinc/78/36/09/663783609.db2.gz GHXJFXIXFXAOKP-CMPLNLGQSA-N 0 1 379.258 2.580 20 10 GFCDMN CS(=O)(=O)C1CCC(C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000922417517 664600710 /nfs/dbraw/zinc/60/07/10/664600710.db2.gz GUUAZTSRSNKMLB-UHFFFAOYSA-N 0 1 376.316 2.848 20 10 GFCDMN CCn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1=O ZINC000191637963 552534019 /nfs/dbraw/zinc/53/40/19/552534019.db2.gz APOGHFGBFHNVTD-AWEZNQCLSA-N 0 1 393.285 2.656 20 10 GFCDMN Cc1cc(C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c(C)n1-c1cccc(C)c1 ZINC000737379173 598675965 /nfs/dbraw/zinc/67/59/65/598675965.db2.gz DKGQSLLINGKSLC-UHFFFAOYSA-N 0 1 388.431 2.627 20 10 GFCDMN O=C([O-])C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1O ZINC000739794122 600143401 /nfs/dbraw/zinc/14/34/01/600143401.db2.gz SUOMWLGCHSBVNO-UHFFFAOYSA-N 0 1 380.784 2.919 20 10 GFCDMN CCOCC[N@H+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC ZINC000737177809 600214176 /nfs/dbraw/zinc/21/41/76/600214176.db2.gz SQIDBSLEKUQHAD-QKIRZYONSA-N 0 1 377.441 2.630 20 10 GFCDMN CN(Cc1cccs1)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000823459124 660372819 /nfs/dbraw/zinc/37/28/19/660372819.db2.gz PNQHZZQOVKPWAH-INIZCTEOSA-N 0 1 379.551 2.508 20 10 GFCDMN O=CN1CCCN(Cc2cc(Br)cc(Br)c2O)CC1 ZINC000827871525 660520619 /nfs/dbraw/zinc/52/06/19/660520619.db2.gz DAZAJOHRTFIBQB-UHFFFAOYSA-N 0 1 392.091 2.581 20 10 GFCDMN Cn1ncc(Cl)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830544277 660662910 /nfs/dbraw/zinc/66/29/10/660662910.db2.gz NNAZAMUKZKQPOR-CYBMUJFWSA-N 0 1 383.279 2.827 20 10 GFCDMN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000839149802 661073656 /nfs/dbraw/zinc/07/36/56/661073656.db2.gz WGSANPSWVYHYSD-UHFFFAOYSA-N 0 1 399.310 2.743 20 10 GFCDMN CCN(CC(=O)NC(=O)NC(C)(C)C)Cc1cc(Br)ccc1O ZINC000174425331 655202379 /nfs/dbraw/zinc/20/23/79/655202379.db2.gz MSOSHQQBYIQYTK-UHFFFAOYSA-N 0 1 386.290 2.601 20 10 GFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000275151094 655219841 /nfs/dbraw/zinc/21/98/41/655219841.db2.gz SNWWWKUGFRUEHK-SECBINFHSA-N 0 1 381.192 2.655 20 10 GFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000275151094 655219844 /nfs/dbraw/zinc/21/98/44/655219844.db2.gz SNWWWKUGFRUEHK-SECBINFHSA-N 0 1 381.192 2.655 20 10 GFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cnc2ccc(Br)cn12 ZINC000740764701 655699042 /nfs/dbraw/zinc/69/90/42/655699042.db2.gz CBVROYAVBPWGQG-RIYZIHGNSA-N 0 1 383.205 2.558 20 10 GFCDMN CCCCNC(=O)NC(=O)CN(CC)Cc1cc(Br)ccc1O ZINC000743871028 655732459 /nfs/dbraw/zinc/73/24/59/655732459.db2.gz MZGGSCJIRQCZRO-UHFFFAOYSA-N 0 1 386.290 2.603 20 10 GFCDMN O=S(=O)(NCc1cccc(Br)c1O)c1c(F)cccc1F ZINC000766200632 656164677 /nfs/dbraw/zinc/16/46/77/656164677.db2.gz MXKGYLZPJDLSOZ-UHFFFAOYSA-N 0 1 378.194 2.911 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1CCn2ncnc2C1 ZINC000770664029 656326176 /nfs/dbraw/zinc/32/61/76/656326176.db2.gz JNYLPZAYFVNJTG-UHFFFAOYSA-N 0 1 388.063 2.525 20 10 GFCDMN CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000775525125 656647364 /nfs/dbraw/zinc/64/73/64/656647364.db2.gz YFRMEIMWPHZHDT-GXTWGEPZSA-N 0 1 389.926 2.983 20 10 GFCDMN CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000775525171 656647949 /nfs/dbraw/zinc/64/79/49/656647949.db2.gz YFRMEIMWPHZHDT-JSGCOSHPSA-N 0 1 389.926 2.983 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000785586291 657377296 /nfs/dbraw/zinc/37/72/96/657377296.db2.gz DIOFNOFQGRXNNC-UHFFFAOYSA-N 0 1 384.299 2.738 20 10 GFCDMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2C)c1OC ZINC000795323146 658805314 /nfs/dbraw/zinc/80/53/14/658805314.db2.gz DBUNVSDCEBJIKA-UHFFFAOYSA-N 0 1 384.841 2.523 20 10 GFCDMN C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000797116253 658983545 /nfs/dbraw/zinc/98/35/45/658983545.db2.gz GNNRGUHGCGIIPU-WCQYABFASA-N 0 1 391.331 2.619 20 10 GFCDMN Cc1cc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(Cl)n1 ZINC000797600481 659037766 /nfs/dbraw/zinc/03/77/66/659037766.db2.gz VTSMVKMMHRLVBO-UHFFFAOYSA-N 0 1 379.913 2.568 20 10 GFCDMN COc1ccc(Br)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1 ZINC000797819395 659054118 /nfs/dbraw/zinc/05/41/18/659054118.db2.gz ICPLURGSPXDRTI-UHFFFAOYSA-N 0 1 388.239 2.973 20 10 GFCDMN O=C1OCc2c1cccc2S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135955 659748591 /nfs/dbraw/zinc/74/85/91/659748591.db2.gz WZIGBCAYCYPAQY-UHFFFAOYSA-N 0 1 388.228 2.848 20 10 GFCDMN Cn1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc2c1=O ZINC000807835871 659866539 /nfs/dbraw/zinc/86/65/39/659866539.db2.gz BEWKTDYTBSXCCG-UHFFFAOYSA-N 0 1 378.215 2.876 20 10 GFCDMN COc1c2cnn(C)c2ncc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837388 659866871 /nfs/dbraw/zinc/86/68/71/659866871.db2.gz NXDWNWGEPNFBID-UHFFFAOYSA-N 0 1 381.219 2.919 20 10 GFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1OC ZINC000808115018 659878075 /nfs/dbraw/zinc/87/80/75/659878075.db2.gz LPPRXHCECSWIMM-UHFFFAOYSA-N 0 1 389.788 2.781 20 10 GFCDMN CNC(=O)c1cncc(/C=C\C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813684957 660060388 /nfs/dbraw/zinc/06/03/88/660060388.db2.gz ZDELYTOZYOWINF-IHWYPQMZSA-N 0 1 380.231 2.783 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858306882 662107884 /nfs/dbraw/zinc/10/78/84/662107884.db2.gz UZAYNSSXWKGYOE-QGZVFWFLSA-N 0 1 392.297 2.540 20 10 GFCDMN Cn1ncc(I)c1CNCc1cc(Cl)ccc1O ZINC000865868810 662448722 /nfs/dbraw/zinc/44/87/22/662448722.db2.gz YLUVPKCSNKLTDD-UHFFFAOYSA-N 0 1 377.613 2.674 20 10 GFCDMN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877536281 662878317 /nfs/dbraw/zinc/87/83/17/662878317.db2.gz YRIDSFBIPFKUCI-LBPRGKRZSA-N 0 1 376.469 2.552 20 10 GFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894496031 663465308 /nfs/dbraw/zinc/46/53/08/663465308.db2.gz WXGLQJRWQGBCDX-MRVPVSSYSA-N 0 1 399.182 2.794 20 10 GFCDMN O=S1(=O)CCN(Cc2cc(Br)cc(F)c2O)[C@H](C2CCC2)C1 ZINC000894990789 663493534 /nfs/dbraw/zinc/49/35/34/663493534.db2.gz LRWXXXPKXJOPPM-AWEZNQCLSA-N 0 1 392.290 2.693 20 10 GFCDMN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Br)cc(F)c1O ZINC000895867334 663531127 /nfs/dbraw/zinc/53/11/27/663531127.db2.gz WBVDODBIGHSXEX-GXTWGEPZSA-N 0 1 390.249 2.884 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898186534 663637519 /nfs/dbraw/zinc/63/75/19/663637519.db2.gz DBQTXHUBGNRJRY-QWRGUYRKSA-N 0 1 383.055 2.822 20 10 GFCDMN CS(=O)(=O)C1CCC(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000922418825 664600724 /nfs/dbraw/zinc/60/07/24/664600724.db2.gz CVCLESZSVVOPJE-UHFFFAOYSA-N 0 1 376.316 2.848 20 10 GFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646722 551195323 /nfs/dbraw/zinc/19/53/23/551195323.db2.gz YNRRKTKBDPNPGO-OCCSQVGLSA-N 0 1 376.862 2.741 20 10 GFCDMN C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Br)ccc1[O-] ZINC000181009244 552243009 /nfs/dbraw/zinc/24/30/09/552243009.db2.gz AMGASSMYORAYPE-NSHDSACASA-N 0 1 399.310 2.695 20 10 GFCDMN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000184979061 552350094 /nfs/dbraw/zinc/35/00/94/552350094.db2.gz XXUWCRWPWIFODH-NSHDSACASA-N 0 1 391.331 2.619 20 10 GFCDMN NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000377839406 563488015 /nfs/dbraw/zinc/48/80/15/563488015.db2.gz IWQGZQJVUMUNHW-QMMMGPOBSA-N 0 1 392.091 2.615 20 10 GFCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Br)ccc1[O-] ZINC000363857019 563735715 /nfs/dbraw/zinc/73/57/15/563735715.db2.gz PJKAOBLRSCRMKK-PSVSLLHZSA-N 0 1 396.285 2.526 20 10 GFCDMN CC(C)(O)COc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000605613887 565956054 /nfs/dbraw/zinc/95/60/54/565956054.db2.gz LRBMQHFWQSOADO-UHFFFAOYSA-N 0 1 379.463 2.642 20 10 GFCDMN CC(C)N(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)C)cc1 ZINC000820112102 607363808 /nfs/dbraw/zinc/36/38/08/607363808.db2.gz JPJPORNJIIVYRG-UHFFFAOYSA-N 0 1 393.495 2.782 20 10 GFCDMN CCCC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000160765300 655124107 /nfs/dbraw/zinc/12/41/07/655124107.db2.gz RNJBHQGUWJWFTP-CYBMUJFWSA-N 0 1 376.862 2.743 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000247709467 655431963 /nfs/dbraw/zinc/43/19/63/655431963.db2.gz ZUVOMAAXOGIANK-SWLSCSKDSA-N 0 1 385.302 2.660 20 10 GFCDMN O=C1NCCN(Cc2cccc(Br)c2O)[C@@H]1c1ccccc1F ZINC000753590350 655856319 /nfs/dbraw/zinc/85/63/19/655856319.db2.gz MFGOXHOGPNBKKA-OAHLLOKOSA-N 0 1 379.229 2.967 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000764852841 656121184 /nfs/dbraw/zinc/12/11/84/656121184.db2.gz XMVKKFJRNSXXTN-CQSZACIVSA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000764852841 656121188 /nfs/dbraw/zinc/12/11/88/656121188.db2.gz XMVKKFJRNSXXTN-CQSZACIVSA-N 0 1 382.302 2.971 20 10 GFCDMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC000766049169 656158551 /nfs/dbraw/zinc/15/85/51/656158551.db2.gz ZWLADGKIRCGGFA-UHFFFAOYSA-N 0 1 383.809 2.836 20 10 GFCDMN CN(C)c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000805135380 659748049 /nfs/dbraw/zinc/74/80/49/659748049.db2.gz SAXDVEFLCDAUHN-UHFFFAOYSA-N 0 1 376.265 2.639 20 10 GFCDMN CNC(=O)c1cccc(OCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807838984 659866910 /nfs/dbraw/zinc/86/69/10/659866910.db2.gz DTCRNKILGNGLHP-UHFFFAOYSA-N 0 1 383.231 2.754 20 10 GFCDMN CCC(=O)N[C@H](CCSC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838859 659866976 /nfs/dbraw/zinc/86/69/76/659866976.db2.gz AOUWNHZDQZUQFC-GFCCVEGCSA-N 0 1 379.309 2.963 20 10 GFCDMN CS(=O)(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1F ZINC000808114676 659878018 /nfs/dbraw/zinc/87/80/18/659878018.db2.gz DRPXENHSDCFGFY-UHFFFAOYSA-N 0 1 397.808 2.528 20 10 GFCDMN CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227883 659967120 /nfs/dbraw/zinc/96/71/20/659967120.db2.gz MDBHNKRWDHONBN-BXUZGUMPSA-N 0 1 380.432 2.733 20 10 GFCDMN Cn1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C2CC2)n1 ZINC000812996087 660039140 /nfs/dbraw/zinc/03/91/40/660039140.db2.gz WLCNYPFFAOLCOB-UHFFFAOYSA-N 0 1 383.235 2.565 20 10 GFCDMN O=C(CNC(=O)OCC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000813684287 660060358 /nfs/dbraw/zinc/06/03/58/660060358.db2.gz NFVXFIRHHPKPBO-UHFFFAOYSA-N 0 1 375.130 2.604 20 10 GFCDMN COc1cccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1O ZINC000815017592 660101877 /nfs/dbraw/zinc/10/18/77/660101877.db2.gz PWYJMOOSDMUJER-UHFFFAOYSA-N 0 1 390.776 2.580 20 10 GFCDMN O=S(=O)(NN=c1[nH]c2cccnc2s1)N1CCC2(CCCCC2)CC1 ZINC000857225171 662068872 /nfs/dbraw/zinc/06/88/72/662068872.db2.gz HGYQGZKKAJJIER-UHFFFAOYSA-N 0 1 381.527 2.899 20 10 GFCDMN Cc1nnnn1-c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000857508763 662081454 /nfs/dbraw/zinc/08/14/54/662081454.db2.gz XPHUCSCQRDAROA-UHFFFAOYSA-N 0 1 378.219 2.913 20 10 GFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858305549 662107601 /nfs/dbraw/zinc/10/76/01/662107601.db2.gz DUHOWYKFNWJXHN-HNNXBMFYSA-N 0 1 392.297 2.540 20 10 GFCDMN O=C(c1ccccn1)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893952306 663433032 /nfs/dbraw/zinc/43/30/32/663433032.db2.gz FGPANWWENSOEGH-UHFFFAOYSA-N 0 1 394.244 2.647 20 10 GFCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000894023831 663438035 /nfs/dbraw/zinc/43/80/35/663438035.db2.gz BVUVZLQFXFQQOM-LLVKDONJSA-N 0 1 399.182 2.889 20 10 GFCDMN NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000895004775 663494832 /nfs/dbraw/zinc/49/48/32/663494832.db2.gz UGSYEAVMYUQVFL-GOSISDBHSA-N 0 1 375.266 2.784 20 10 GFCDMN Oc1c(F)cc(Br)cc1CN1CCn2c(nnc2C(F)F)C1 ZINC000895355211 663509811 /nfs/dbraw/zinc/50/98/11/663509811.db2.gz ZCZBXSXBPKXONY-UHFFFAOYSA-N 0 1 377.164 2.839 20 10 GFCDMN COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(Br)cc(F)c1O ZINC000895402478 663511837 /nfs/dbraw/zinc/51/18/37/663511837.db2.gz MTLOLWKKULQTIT-YGRLFVJLSA-N 0 1 390.249 2.742 20 10 GFCDMN COC(=O)c1cc2n(n1)CCC[C@H]2NCc1c(O)cccc1Br ZINC000897986610 663629284 /nfs/dbraw/zinc/62/92/84/663629284.db2.gz DYCQANWJWUWDCA-GFCCVEGCSA-N 0 1 380.242 2.763 20 10 GFCDMN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000897986610 663629286 /nfs/dbraw/zinc/62/92/86/663629286.db2.gz DYCQANWJWUWDCA-GFCCVEGCSA-N 0 1 380.242 2.763 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc(Br)cc1[O-] ZINC000903394285 663783577 /nfs/dbraw/zinc/78/35/77/663783577.db2.gz CCOZFOTTZYHYIB-ZYHUDNBSSA-N 0 1 379.258 2.580 20 10 GFCDMN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1cc(Br)ccc1[O-] ZINC000371834078 563288925 /nfs/dbraw/zinc/28/89/25/563288925.db2.gz GXPLZCAOOYKKQV-KBXCAEBGSA-N 0 1 399.329 2.687 20 10 GFCDMN C[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000824604720 608282091 /nfs/dbraw/zinc/28/20/91/608282091.db2.gz DGDUGNMPBJSRPE-AWEZNQCLSA-N 0 1 382.443 2.693 20 10 GFCDMN CN(Cc1cccs1)c1ccc(CN2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000824161785 660386447 /nfs/dbraw/zinc/38/64/47/660386447.db2.gz PXXMFTVIZBSEKI-GOSISDBHSA-N 0 1 379.551 2.637 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824606247 660397997 /nfs/dbraw/zinc/39/79/97/660397997.db2.gz QBGRJNONPIQPPD-OCCSQVGLSA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824606247 660397998 /nfs/dbraw/zinc/39/79/98/660397998.db2.gz QBGRJNONPIQPPD-OCCSQVGLSA-N 0 1 385.302 2.518 20 10 GFCDMN COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(Br)cc2[O-])cc1O ZINC000825922021 660445751 /nfs/dbraw/zinc/44/57/51/660445751.db2.gz FEXOVLDSXANWDH-ZDUSSCGKSA-N 0 1 396.281 2.810 20 10 GFCDMN Cn1cc(CNCCCSc2nccs2)c(I)n1 ZINC000894302949 663453416 /nfs/dbraw/zinc/45/34/16/663453416.db2.gz FPYGORAIUVQCQI-UHFFFAOYSA-N 0 1 394.307 2.753 20 10 GFCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000063849095 654859044 /nfs/dbraw/zinc/85/90/44/654859044.db2.gz WLGONBGPUCBLPH-UHFFFAOYSA-N 0 1 390.433 2.917 20 10 GFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000092585628 655014568 /nfs/dbraw/zinc/01/45/68/655014568.db2.gz QXXIUOUNALWMHD-LLVKDONJSA-N 0 1 399.310 2.995 20 10 GFCDMN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000273068869 655129409 /nfs/dbraw/zinc/12/94/09/655129409.db2.gz KGONXBUYBMGFJU-LLVKDONJSA-N 0 1 399.310 2.914 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000247565366 655431777 /nfs/dbraw/zinc/43/17/77/655431777.db2.gz RFGZMUOTJVLHGA-HZPDHXFCSA-N 0 1 388.302 2.533 20 10 GFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000247565366 655431778 /nfs/dbraw/zinc/43/17/78/655431778.db2.gz RFGZMUOTJVLHGA-HZPDHXFCSA-N 0 1 388.302 2.533 20 10 GFCDMN CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000725845142 655527876 /nfs/dbraw/zinc/52/78/76/655527876.db2.gz OPVUFFUNRXPEAG-UHFFFAOYSA-N 0 1 385.283 2.816 20 10 GFCDMN CCN(CC(=O)NCc1ccccn1)Cc1cc(Br)ccc1O ZINC000743870824 655732303 /nfs/dbraw/zinc/73/23/03/655732303.db2.gz CHAICSZHBWDPBH-UHFFFAOYSA-N 0 1 378.270 2.688 20 10 GFCDMN O=S(=O)(Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc2nsnc21 ZINC000749163085 655801221 /nfs/dbraw/zinc/80/12/21/655801221.db2.gz QLUDJXSQRMKYLC-UHFFFAOYSA-N 0 1 392.853 2.726 20 10 GFCDMN CN(C)c1ccc(CNCCS(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1 ZINC000792937360 658331897 /nfs/dbraw/zinc/33/18/97/658331897.db2.gz VTUSRJBMKGPFKT-UHFFFAOYSA-N 0 1 381.464 2.579 20 10 GFCDMN O=C1OCc2ccc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000805135745 659747415 /nfs/dbraw/zinc/74/74/15/659747415.db2.gz RMVXYPKGIYAJEC-UHFFFAOYSA-N 0 1 388.228 2.848 20 10 GFCDMN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808113679 659877686 /nfs/dbraw/zinc/87/76/86/659877686.db2.gz FLKJATYLNQYRBH-UHFFFAOYSA-N 0 1 393.845 2.697 20 10 GFCDMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1F ZINC000808114705 659878051 /nfs/dbraw/zinc/87/80/51/659878051.db2.gz FRCKNRHIYNCXNT-UHFFFAOYSA-N 0 1 397.808 2.528 20 10 GFCDMN COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(N)(=O)=O ZINC000808441427 659894432 /nfs/dbraw/zinc/89/44/32/659894432.db2.gz XMMMDAOGRVCDBT-UHFFFAOYSA-N 0 1 377.249 2.967 20 10 GFCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809696721 659936537 /nfs/dbraw/zinc/93/65/37/659936537.db2.gz PJZDFFWOPHLCKO-CYBMUJFWSA-N 0 1 382.722 2.881 20 10 GFCDMN CC[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214122 659966889 /nfs/dbraw/zinc/96/68/89/659966889.db2.gz OWCCEWPBHWNIRY-OCCSQVGLSA-N 0 1 380.432 2.876 20 10 GFCDMN NC(=O)Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000811921436 660017788 /nfs/dbraw/zinc/01/77/88/660017788.db2.gz AKZLKUPPPZOLRB-UHFFFAOYSA-N 0 1 382.247 2.726 20 10 GFCDMN Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1ccc(Br)cn1 ZINC000843811070 661393262 /nfs/dbraw/zinc/39/32/62/661393262.db2.gz FCNAQQYWJFNMLF-SNVBAGLBSA-N 0 1 389.257 2.861 20 10 GFCDMN CCN1C(=S)N=NC1CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854167304 661917295 /nfs/dbraw/zinc/91/72/95/661917295.db2.gz WXAYBKVCHSBTPW-UHFFFAOYSA-N 0 1 390.296 2.641 20 10 GFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000858130082 662099929 /nfs/dbraw/zinc/09/99/29/662099929.db2.gz XGPUAYSRHBDPII-SNVBAGLBSA-N 0 1 388.208 2.962 20 10 GFCDMN O=C1[C@H]([NH2+]Cc2c([O-])cccc2Br)CCCN1CC(F)(F)F ZINC000858153220 662101690 /nfs/dbraw/zinc/10/16/90/662101690.db2.gz JINRCFUQGFJGHO-LLVKDONJSA-N 0 1 381.192 2.798 20 10 GFCDMN CN(C)S(=O)(=O)c1cccc(CNCc2c(O)cccc2Br)c1 ZINC000858172919 662103132 /nfs/dbraw/zinc/10/31/32/662103132.db2.gz KUQKZJCYIVWKBG-UHFFFAOYSA-N 0 1 399.310 2.695 20 10 GFCDMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1cc(C)ccc1O ZINC000858236961 662105525 /nfs/dbraw/zinc/10/55/25/662105525.db2.gz BSQTZAMRXPFLPI-AWEZNQCLSA-N 0 1 383.901 2.508 20 10 GFCDMN CCOCCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862219936 662274377 /nfs/dbraw/zinc/27/43/77/662274377.db2.gz ISYVBBFDTYECPQ-UHFFFAOYSA-N 0 1 399.329 2.910 20 10 GFCDMN O=C(Cn1cc(NCc2cc(Cl)cc(Br)c2O)cn1)NC1CC1 ZINC000882965690 663045599 /nfs/dbraw/zinc/04/55/99/663045599.db2.gz LKYPMHWVYWUBFT-UHFFFAOYSA-N 0 1 399.676 2.895 20 10 GFCDMN C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(Br)c2O)CCS1(=O)=O ZINC000894039890 663438965 /nfs/dbraw/zinc/43/89/65/663438965.db2.gz OINPITAYIAPYRR-DTWKUNHWSA-N 0 1 382.707 2.816 20 10 GFCDMN COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Br)cc(F)c1O ZINC000895402476 663511925 /nfs/dbraw/zinc/51/19/25/663511925.db2.gz MTLOLWKKULQTIT-IINYFYTJSA-N 0 1 390.249 2.742 20 10 GFCDMN CC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Br)ccc1[O-] ZINC000903396250 663783663 /nfs/dbraw/zinc/78/36/63/663783663.db2.gz LJTLGFXHBNOJRY-TZMCWYRMSA-N 0 1 393.285 2.970 20 10 GFCDMN O=C(NCc1cc(Br)ccc1O)C1CCC(N2CCOCC2)CC1 ZINC000908170219 664089122 /nfs/dbraw/zinc/08/91/22/664089122.db2.gz KODOERAZZMKRLY-UHFFFAOYSA-N 0 1 397.313 2.662 20 10 GFCDMN CN1CC[C@H]1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000928567056 664735290 /nfs/dbraw/zinc/73/52/90/664735290.db2.gz MEJMVUXSHQBEFU-LQELWAHVSA-N 0 1 395.575 2.550 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000186081899 552377953 /nfs/dbraw/zinc/37/79/53/552377953.db2.gz FPIKHVYPUSJMJL-BXUZGUMPSA-N 0 1 393.285 2.734 20 10 GFCDMN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(Br)ccc3[O-])C2=O)n(C)n1 ZINC000186083004 552378767 /nfs/dbraw/zinc/37/87/67/552378767.db2.gz QPJAVMMJRQXPHF-BXUZGUMPSA-N 0 1 393.285 2.653 20 10 GFCDMN O=C(Nc1cnccn1)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000371404392 563277050 /nfs/dbraw/zinc/27/70/50/563277050.db2.gz MYDGZOTXTYRDEL-UHFFFAOYSA-N 0 1 391.269 2.795 20 10 GFCDMN CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000373460865 563338933 /nfs/dbraw/zinc/33/89/33/563338933.db2.gz LDQNWYJPJSWFMJ-CVEARBPZSA-N 0 1 397.313 2.975 20 10 GFCDMN COc1cc(Br)cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000375690040 563414659 /nfs/dbraw/zinc/41/46/59/563414659.db2.gz GEXDQCCDCMMQKX-INIZCTEOSA-N 0 1 396.285 2.832 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000377087883 563462715 /nfs/dbraw/zinc/46/27/15/563462715.db2.gz DOVGXTRBYHWRHD-PSASIEDQSA-N 0 1 385.169 2.772 20 10 GFCDMN CCCCN(Cc1ccc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824515337 660395450 /nfs/dbraw/zinc/39/54/50/660395450.db2.gz MMMLBPDANJSABV-CQSZACIVSA-N 0 1 376.316 2.944 20 10 GFCDMN CCCC[N@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000824515337 660395452 /nfs/dbraw/zinc/39/54/52/660395452.db2.gz MMMLBPDANJSABV-CQSZACIVSA-N 0 1 376.316 2.944 20 10 GFCDMN CCCC[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000824515337 660395454 /nfs/dbraw/zinc/39/54/54/660395454.db2.gz MMMLBPDANJSABV-CQSZACIVSA-N 0 1 376.316 2.944 20 10 GFCDMN CN1CCN(c2ccc(NCc3ccc(Br)cc3O)cn2)CC1 ZINC000825037709 660408243 /nfs/dbraw/zinc/40/82/43/660408243.db2.gz HLVUTTULZKKARX-UHFFFAOYSA-N 0 1 377.286 2.914 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000174426548 655202235 /nfs/dbraw/zinc/20/22/35/655202235.db2.gz JVKCSNFNRIIYBO-OAHLLOKOSA-N 0 1 393.285 2.516 20 10 GFCDMN CCN(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cc(Br)ccc1O ZINC000743870787 655732294 /nfs/dbraw/zinc/73/22/94/655732294.db2.gz AYRHRIXCKXJDJB-CHWSQXEVSA-N 0 1 385.302 2.612 20 10 GFCDMN COc1ccc(N2CCC(NC(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000747218650 655774052 /nfs/dbraw/zinc/77/40/52/655774052.db2.gz ZMDIKDFAKKZHJQ-UHFFFAOYSA-N 0 1 396.563 2.713 20 10 GFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(Cl)cc1F ZINC000755952185 655891797 /nfs/dbraw/zinc/89/17/97/655891797.db2.gz HZYWYSZXVVHXSH-UHFFFAOYSA-N 0 1 387.772 2.795 20 10 GFCDMN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000769999686 656303576 /nfs/dbraw/zinc/30/35/76/656303576.db2.gz BLXSMJIIYOVCQN-QWHCGFSZSA-N 0 1 388.325 2.970 20 10 GFCDMN Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775725264 656674100 /nfs/dbraw/zinc/67/41/00/656674100.db2.gz RAOFMRLHZRMJON-UHFFFAOYSA-N 0 1 386.876 2.903 20 10 GFCDMN CNS(=O)(=O)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807835986 659866560 /nfs/dbraw/zinc/86/65/60/659866560.db2.gz DDADKUCECQSHIR-UHFFFAOYSA-N 0 1 389.260 2.537 20 10 GFCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1-n1cnnn1 ZINC000807837792 659866982 /nfs/dbraw/zinc/86/69/82/659866982.db2.gz CIILAMFCBGUVQL-UHFFFAOYSA-N 0 1 378.219 2.913 20 10 GFCDMN O=C(NCCC[NH2+]Cc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000841935154 661318058 /nfs/dbraw/zinc/31/80/58/661318058.db2.gz FZXHGMYZFVZJDA-UHFFFAOYSA-N 0 1 393.285 2.529 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841992443 661319158 /nfs/dbraw/zinc/31/91/58/661319158.db2.gz WASCFPHBHAMDQC-INIZCTEOSA-N 0 1 390.281 2.841 20 10 GFCDMN C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847407791 661591354 /nfs/dbraw/zinc/59/13/54/661591354.db2.gz DYHBFPDPKFNZFL-UTUOFQBUSA-N 0 1 390.311 2.996 20 10 GFCDMN CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858106632 662099212 /nfs/dbraw/zinc/09/92/12/662099212.db2.gz NGQBPCVNJHFPOM-NSHDSACASA-N 0 1 399.310 2.914 20 10 GFCDMN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862354126 662282464 /nfs/dbraw/zinc/28/24/64/662282464.db2.gz LHHIATJVIPAORU-KRWDZBQOSA-N 0 1 386.286 2.946 20 10 GFCDMN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862354126 662282468 /nfs/dbraw/zinc/28/24/68/662282468.db2.gz LHHIATJVIPAORU-KRWDZBQOSA-N 0 1 386.286 2.946 20 10 GFCDMN COc1ccc(C[C@H](CO)C[NH2+]Cc2c([O-])cccc2Br)cc1O ZINC000862367609 662283191 /nfs/dbraw/zinc/28/31/91/662283191.db2.gz OZRHUFBEMFATQC-ZDUSSCGKSA-N 0 1 396.281 2.810 20 10 GFCDMN CN(C)C(=O)Cn1ccc(NCc2cc(Cl)cc(Br)c2O)n1 ZINC000883037592 663047559 /nfs/dbraw/zinc/04/75/59/663047559.db2.gz DJVIBMZRAPFKSO-UHFFFAOYSA-N 0 1 387.665 2.705 20 10 GFCDMN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883091624 663048576 /nfs/dbraw/zinc/04/85/76/663048576.db2.gz SGNLYCDHTGLECZ-LBPRGKRZSA-N 0 1 390.753 2.924 20 10 GFCDMN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc(Br)c1O ZINC000894039895 663439002 /nfs/dbraw/zinc/43/90/02/663439002.db2.gz OINPITAYIAPYRR-RKDXNWHRSA-N 0 1 382.707 2.816 20 10 GFCDMN COC(=O)[C@H](CC1CCOCC1)NCc1cc(Br)cc(F)c1O ZINC000895593344 663520079 /nfs/dbraw/zinc/52/00/79/663520079.db2.gz PZUULZQBKLIVJP-AWEZNQCLSA-N 0 1 390.249 2.742 20 10 GFCDMN COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Br)ccc1[O-])CCO2 ZINC000898001413 663629808 /nfs/dbraw/zinc/62/98/08/663629808.db2.gz NMQNOOXBQKCZBW-IAGOWNOFSA-N 0 1 386.286 2.947 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCOC12CCOCC2 ZINC000898783157 663663973 /nfs/dbraw/zinc/66/39/73/663663973.db2.gz OYFKHLKGNOWYNV-ZDUSSCGKSA-N 0 1 375.252 2.836 20 10 GFCDMN CC(=O)N1CCN(Cc2cc(Br)cc(Br)c2O)CC1 ZINC000183460311 552309655 /nfs/dbraw/zinc/30/96/55/552309655.db2.gz CGLXHBOUKNYALG-UHFFFAOYSA-N 0 1 392.091 2.581 20 10 GFCDMN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])CC2 ZINC000186102432 552379386 /nfs/dbraw/zinc/37/93/86/552379386.db2.gz FVRROBJMMMECBO-ZYHUDNBSSA-N 0 1 381.274 2.558 20 10 GFCDMN C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186158537 552380696 /nfs/dbraw/zinc/38/06/96/552380696.db2.gz HALQNDHYFBLTCF-PWSUYJOCSA-N 0 1 375.899 2.593 20 10 GFCDMN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc(Br)cc1[O-] ZINC000371835563 563289035 /nfs/dbraw/zinc/28/90/35/563289035.db2.gz UGZWKVIPOVOVQN-KBXCAEBGSA-N 0 1 399.329 2.687 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000377089551 563462663 /nfs/dbraw/zinc/46/26/63/563462663.db2.gz DMBGOZPYJIFMJZ-NSHDSACASA-N 0 1 378.277 2.530 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC000377087951 563462742 /nfs/dbraw/zinc/46/27/42/563462742.db2.gz FLZKUYBRNNSJQC-VIFPVBQESA-N 0 1 386.260 2.825 20 10 GFCDMN O=C([O-])C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000833219870 601373925 /nfs/dbraw/zinc/37/39/25/601373925.db2.gz KIIYYBOYERDARU-CYBMUJFWSA-N 0 1 380.238 2.983 20 10 GFCDMN CC[C@H](C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000828708008 601856936 /nfs/dbraw/zinc/85/69/36/601856936.db2.gz JVPZZKIIHRVRRW-JXFKEZNVSA-N 0 1 375.513 2.724 20 10 GFCDMN CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000828708008 601856939 /nfs/dbraw/zinc/85/69/39/601856939.db2.gz JVPZZKIIHRVRRW-JXFKEZNVSA-N 0 1 375.513 2.724 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000822948921 660358830 /nfs/dbraw/zinc/35/88/30/660358830.db2.gz BRPYZZIMYBTKFL-DTWKUNHWSA-N 0 1 385.169 2.630 20 10 GFCDMN CN(Cc1cccs1)c1ccc(CN2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000823453712 660372831 /nfs/dbraw/zinc/37/28/31/660372831.db2.gz XQCUEKHRQALCPK-KRWDZBQOSA-N 0 1 379.551 2.637 20 10 GFCDMN COCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824606512 660397864 /nfs/dbraw/zinc/39/78/64/660397864.db2.gz UWYPHGDSLNVSJM-UHFFFAOYSA-N 0 1 385.302 2.519 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824606249 660397955 /nfs/dbraw/zinc/39/79/55/660397955.db2.gz QBGRJNONPIQPPD-TZMCWYRMSA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824606249 660397957 /nfs/dbraw/zinc/39/79/57/660397957.db2.gz QBGRJNONPIQPPD-TZMCWYRMSA-N 0 1 385.302 2.518 20 10 GFCDMN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825260202 660417527 /nfs/dbraw/zinc/41/75/27/660417527.db2.gz MOMBIKRETDQTBF-AWEZNQCLSA-N 0 1 390.281 2.622 20 10 GFCDMN CCN1CCN(c2ccc(CNC(=O)CSC(F)(F)F)cc2F)CC1 ZINC000106702832 655109487 /nfs/dbraw/zinc/10/94/87/655109487.db2.gz YUOIGPAXGCKYLB-UHFFFAOYSA-N 0 1 379.423 2.837 20 10 GFCDMN O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cccc(Br)c1[O-] ZINC000277453798 655320175 /nfs/dbraw/zinc/32/01/75/655320175.db2.gz GJPAIMUWECANIE-UHFFFAOYSA-N 0 1 397.313 2.806 20 10 GFCDMN C[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])CN1CCN(C)CC1 ZINC000756535435 655901678 /nfs/dbraw/zinc/90/16/78/655901678.db2.gz QBKBFIWJSBGQNE-CHWSQXEVSA-N 0 1 388.325 2.828 20 10 GFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000779460018 656928303 /nfs/dbraw/zinc/92/83/03/656928303.db2.gz JJJPLNSWVJLGAG-UHFFFAOYSA-N 0 1 386.769 2.541 20 10 GFCDMN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000796469734 658918910 /nfs/dbraw/zinc/91/89/10/658918910.db2.gz QMKRBWJZNYNMAV-HNNXBMFYSA-N 0 1 382.302 2.925 20 10 GFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c(Cl)cc1F ZINC000797820227 659054964 /nfs/dbraw/zinc/05/49/64/659054964.db2.gz MJNFCZJNDOCRSF-UHFFFAOYSA-N 0 1 389.788 2.781 20 10 GFCDMN NC(=O)COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806202402 659827399 /nfs/dbraw/zinc/82/73/99/659827399.db2.gz RXEJHRIEVWFDDC-UHFFFAOYSA-N 0 1 384.219 2.885 20 10 GFCDMN COc1cc(Br)cc(CN2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816655791 660164413 /nfs/dbraw/zinc/16/44/13/660164413.db2.gz RZRXCRHDJGLTLX-UHFFFAOYSA-N 0 1 387.274 2.826 20 10 GFCDMN CCOC(=O)Cn1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000847249176 661583683 /nfs/dbraw/zinc/58/36/83/661583683.db2.gz UPRYQEUANJJNKZ-UHFFFAOYSA-N 0 1 387.223 2.780 20 10 GFCDMN CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCCC1 ZINC000850377068 661773409 /nfs/dbraw/zinc/77/34/09/661773409.db2.gz VRNVDZFTUTZRSZ-UHFFFAOYSA-N 0 1 376.316 2.992 20 10 GFCDMN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858163157 662102542 /nfs/dbraw/zinc/10/25/42/662102542.db2.gz YMGNWNHLMZWRKF-ZDUSSCGKSA-N 0 1 382.302 2.925 20 10 GFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000858193686 662104120 /nfs/dbraw/zinc/10/41/20/662104120.db2.gz ZYPNYWKAPUUSPH-IAGOWNOFSA-N 0 1 381.314 2.888 20 10 GFCDMN CCN1CCN(CC(C)(C)[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000883139355 663050346 /nfs/dbraw/zinc/05/03/46/663050346.db2.gz JZZIALWODLKGAW-UHFFFAOYSA-N 0 1 388.325 2.800 20 10 GFCDMN CN1CCC(N2C(=O)/C(=C/c3ccc4oc(=O)oc4c3)SC2=S)CC1 ZINC000887272578 663140346 /nfs/dbraw/zinc/14/03/46/663140346.db2.gz POZIVNYLZAEIOW-ZROIWOOFSA-N 0 1 376.459 2.681 20 10 GFCDMN CCC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893890636 663430356 /nfs/dbraw/zinc/43/03/56/663430356.db2.gz CROQWLYGVUDKCW-GFCCVEGCSA-N 0 1 380.279 2.693 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894095623 663442433 /nfs/dbraw/zinc/44/24/33/663442433.db2.gz RDJCWMKQAPNAMK-ZBEGNZNMSA-N 0 1 398.276 2.973 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000895192724 663502493 /nfs/dbraw/zinc/50/24/93/663502493.db2.gz KOFAHOLGZWPXDY-HNNXBMFYSA-N 0 1 387.293 2.981 20 10 GFCDMN CC(=O)c1cn(C2CN(Cc3cc(Cl)cc(Br)c3O)C2)nn1 ZINC000897941057 663626404 /nfs/dbraw/zinc/62/64/04/663626404.db2.gz LWNKOYPWJKMTAP-UHFFFAOYSA-N 0 1 385.649 2.659 20 10 GFCDMN C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Br)ccc1[O-] ZINC000903371433 663783132 /nfs/dbraw/zinc/78/31/32/663783132.db2.gz BLRAOGJFMPMZID-GFCCVEGCSA-N 0 1 386.286 2.854 20 10 GFCDMN C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186158520 552380558 /nfs/dbraw/zinc/38/05/58/552380558.db2.gz HALQNDHYFBLTCF-JQWIXIFHSA-N 0 1 375.899 2.593 20 10 GFCDMN C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Br)ccc1[O-] ZINC000363857021 563735414 /nfs/dbraw/zinc/73/54/14/563735414.db2.gz PJKAOBLRSCRMKK-WVQJBOLRSA-N 0 1 396.285 2.526 20 10 GFCDMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)Cc1ccccc1O ZINC000735551727 598617570 /nfs/dbraw/zinc/61/75/70/598617570.db2.gz SFJNZXIGAMSCCU-NSHDSACASA-N 0 1 386.843 2.685 20 10 GFCDMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N(C)Cc1ccccc1O ZINC000735571544 598701008 /nfs/dbraw/zinc/70/10/08/598701008.db2.gz YQQYVGLPOGHYPN-LLVKDONJSA-N 0 1 398.492 2.582 20 10 GFCDMN C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739711429 602653626 /nfs/dbraw/zinc/65/36/26/602653626.db2.gz RWVTXCICWKGXBX-FQEVSTJZSA-N 0 1 383.492 2.700 20 10 GFCDMN O=C([O-])CCC[NH+]1CCC(NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000833773442 605220368 /nfs/dbraw/zinc/22/03/68/605220368.db2.gz NOBHYPNWXAEALJ-UHFFFAOYSA-N 0 1 377.554 2.659 20 10 GFCDMN O=C([O-])CCCN1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000833773442 605220369 /nfs/dbraw/zinc/22/03/69/605220369.db2.gz NOBHYPNWXAEALJ-UHFFFAOYSA-N 0 1 377.554 2.659 20 10 GFCDMN CCOc1ccc(O)c(CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000825643766 608853096 /nfs/dbraw/zinc/85/30/96/608853096.db2.gz UBVSUNAIRHNJSN-IBGZPJMESA-N 0 1 381.436 2.545 20 10 GFCDMN COc1cc(OC)cc([C@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825278725 660418087 /nfs/dbraw/zinc/41/80/87/660418087.db2.gz PMAQCKCXNLHHKZ-QGZVFWFLSA-N 0 1 382.254 2.995 20 10 GFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1Cl ZINC000825939939 660446164 /nfs/dbraw/zinc/44/61/64/660446164.db2.gz JBQVUVDZTPDHCT-HNNXBMFYSA-N 0 1 380.897 2.907 20 10 GFCDMN Cc1ccc(O)c(CN2CCC(n3nncc3I)CC2)c1 ZINC000827280549 660487556 /nfs/dbraw/zinc/48/75/56/660487556.db2.gz GCIAGSZTRVYQEY-UHFFFAOYSA-N 0 1 398.248 2.734 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000092811060 655015456 /nfs/dbraw/zinc/01/54/56/655015456.db2.gz QJEZNAKGKOHPEI-UHFFFAOYSA-N 0 1 380.286 2.723 20 10 GFCDMN O=S(=O)(Nc1ccc(N2CCSCC2)cc1)c1cccc2nonc21 ZINC000163835346 655136393 /nfs/dbraw/zinc/13/63/93/655136393.db2.gz RVSJXGDSMOGOTD-UHFFFAOYSA-N 0 1 376.463 2.577 20 10 GFCDMN CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(Br)ccc1[O-] ZINC000174422623 655201987 /nfs/dbraw/zinc/20/19/87/655201987.db2.gz COBAOFBQSHWKQF-UHFFFAOYSA-N 0 1 398.301 2.697 20 10 GFCDMN CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(Br)ccc1[O-] ZINC000174422623 655201990 /nfs/dbraw/zinc/20/19/90/655201990.db2.gz COBAOFBQSHWKQF-UHFFFAOYSA-N 0 1 398.301 2.697 20 10 GFCDMN CCCC[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179613614 655315304 /nfs/dbraw/zinc/31/53/04/655315304.db2.gz NFNNSLLAXCSPOM-CYBMUJFWSA-N 0 1 376.316 2.944 20 10 GFCDMN Cc1cc([O-])c(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c(Cl)c1 ZINC000840908873 661205442 /nfs/dbraw/zinc/20/54/42/661205442.db2.gz YOUFDIQOKHFJLW-UHFFFAOYSA-N 0 1 384.885 2.894 20 10 GFCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000768274295 656235888 /nfs/dbraw/zinc/23/58/88/656235888.db2.gz QCBUQSWFHJRVNC-UHFFFAOYSA-N 0 1 389.886 2.688 20 10 GFCDMN CC[N@@H+](CC(=O)N(C)C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775652243 656659923 /nfs/dbraw/zinc/65/99/23/656659923.db2.gz JJSVOGBRTGBIOE-UHFFFAOYSA-N 0 1 394.107 2.827 20 10 GFCDMN C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000797117178 658983397 /nfs/dbraw/zinc/98/33/97/658983397.db2.gz KAYLKTPQRRNQJE-DGCLKSJQSA-N 0 1 391.331 2.619 20 10 GFCDMN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000798964797 659158914 /nfs/dbraw/zinc/15/89/14/659158914.db2.gz UUJAQSCOFKDRAH-QGZVFWFLSA-N 0 1 386.286 2.946 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cn(Cc2ccccn2)nn1 ZINC000807838461 659866917 /nfs/dbraw/zinc/86/69/17/659866917.db2.gz SANLTZQVWWOGFG-UHFFFAOYSA-N 0 1 378.219 2.664 20 10 GFCDMN Cn1nc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C1CC1 ZINC000810416341 659972225 /nfs/dbraw/zinc/97/22/25/659972225.db2.gz UFXZHWMCZUVLML-UHFFFAOYSA-N 0 1 383.235 2.565 20 10 GFCDMN NC(=O)c1ccc(OCCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000813684036 660060332 /nfs/dbraw/zinc/06/03/32/660060332.db2.gz JLKYYJHNJJMOKY-UHFFFAOYSA-N 0 1 383.231 2.883 20 10 GFCDMN COC(=O)[C@H](NCc1cccc(Br)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846107689 661532851 /nfs/dbraw/zinc/53/28/51/661532851.db2.gz KRLSPJAKMZMSTN-OSAQELSMSA-N 0 1 386.286 2.991 20 10 GFCDMN CCS(=O)(=O)C1(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000850557346 661781681 /nfs/dbraw/zinc/78/16/81/661781681.db2.gz NJSWPSXOUAYBRF-CQSZACIVSA-N 0 1 386.945 2.795 20 10 GFCDMN CN1CCN(c2ccc(NCc3c(O)cccc3Br)nc2)CC1 ZINC000858102199 662098856 /nfs/dbraw/zinc/09/88/56/662098856.db2.gz BPPCJYDCFSLEGZ-UHFFFAOYSA-N 0 1 377.286 2.914 20 10 GFCDMN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858106631 662099100 /nfs/dbraw/zinc/09/91/00/662099100.db2.gz NGQBPCVNJHFPOM-LLVKDONJSA-N 0 1 399.310 2.914 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862232215 662275186 /nfs/dbraw/zinc/27/51/86/662275186.db2.gz UFCKETWJMSJXSB-QWHCGFSZSA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862232215 662275189 /nfs/dbraw/zinc/27/51/89/662275189.db2.gz UFCKETWJMSJXSB-QWHCGFSZSA-N 0 1 385.302 2.518 20 10 GFCDMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@H](C)c1ccccc1O ZINC000877756452 662882919 /nfs/dbraw/zinc/88/29/19/662882919.db2.gz JEGGWBGFGUZQGN-DGCLKSJQSA-N 0 1 383.901 2.761 20 10 GFCDMN CNC(=O)Cn1nc(NCc2cc(Cl)cc(Br)c2O)cc1C ZINC000883079692 663048030 /nfs/dbraw/zinc/04/80/30/663048030.db2.gz AFUOZYCSUNVLCF-UHFFFAOYSA-N 0 1 387.665 2.671 20 10 GFCDMN C[C@@H](CS(C)(=O)=O)N(Cc1cc(Br)cc(F)c1O)C1CC1 ZINC000894025264 663438025 /nfs/dbraw/zinc/43/80/25/663438025.db2.gz BCHMKBSTIFJEFC-VIFPVBQESA-N 0 1 380.279 2.691 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894095621 663442525 /nfs/dbraw/zinc/44/25/25/663442525.db2.gz RDJCWMKQAPNAMK-BZNIZROVSA-N 0 1 398.276 2.973 20 10 GFCDMN COc1ccc(O)c([C@H](C)NCc2cn(C)nc2I)c1 ZINC000894783893 663481477 /nfs/dbraw/zinc/48/14/77/663481477.db2.gz ZNSSTUKACAXDRR-VIFPVBQESA-N 0 1 387.221 2.590 20 10 GFCDMN COC(=O)[C@H](Cc1cncs1)NCc1cc(Br)cc(F)c1O ZINC000895475159 663516504 /nfs/dbraw/zinc/51/65/04/663516504.db2.gz SFWLSHKNWFGUDH-LBPRGKRZSA-N 0 1 389.246 2.624 20 10 GFCDMN CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])CCOCC1 ZINC000897740745 663617789 /nfs/dbraw/zinc/61/77/89/663617789.db2.gz GHFYHEIVVKMILJ-LBPRGKRZSA-N 0 1 386.286 2.993 20 10 GFCDMN CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Br)ccc1[O-] ZINC000156721333 551527539 /nfs/dbraw/zinc/52/75/39/551527539.db2.gz GYHCQTPMAQWAGA-OCCSQVGLSA-N 0 1 395.301 2.948 20 10 GFCDMN C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)CS2 ZINC000366279520 563803830 /nfs/dbraw/zinc/80/38/30/563803830.db2.gz HVWKYSHCTZATGX-NHYWBVRUSA-N 0 1 375.277 2.769 20 10 GFCDMN Oc1ccccc1CN(Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CCCO1 ZINC000738401169 598702844 /nfs/dbraw/zinc/70/28/44/598702844.db2.gz PJXDOUMGIQZGBE-QGZVFWFLSA-N 0 1 383.427 2.893 20 10 GFCDMN COc1cc(O)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1OC ZINC000833728843 605242018 /nfs/dbraw/zinc/24/20/18/605242018.db2.gz ALPVVKMDHQYUBD-UHFFFAOYSA-N 0 1 381.812 2.855 20 10 GFCDMN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)Cc1cc(Br)ccc1O ZINC000825429232 608748088 /nfs/dbraw/zinc/74/80/88/608748088.db2.gz YSZQICOSPULMJU-UHFFFAOYSA-N 0 1 378.230 2.950 20 10 GFCDMN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825120730 660411678 /nfs/dbraw/zinc/41/16/78/660411678.db2.gz MVSBUVRYIQMUFZ-UHFFFAOYSA-N 0 1 399.310 2.695 20 10 GFCDMN Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)n(C)n1 ZINC000825710241 660438716 /nfs/dbraw/zinc/43/87/16/660438716.db2.gz JMFGWRPRPHPEAD-HNNXBMFYSA-N 0 1 379.302 2.955 20 10 GFCDMN C[C@H]1CN(Cc2cccc(Br)c2O)CCN1C(=O)c1cscn1 ZINC000835056714 660839622 /nfs/dbraw/zinc/83/96/22/660839622.db2.gz ITDTYOKYUUOKQB-NSHDSACASA-N 0 1 396.310 2.958 20 10 GFCDMN Oc1cc2c(cc1CN1CCN(c3ccc(Br)cn3)CC1)OCO2 ZINC000042095649 654635119 /nfs/dbraw/zinc/63/51/19/654635119.db2.gz BINSNWFBWBNPGG-UHFFFAOYSA-N 0 1 392.253 2.601 20 10 GFCDMN CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(Br)ccc1[O-] ZINC000274884508 655205995 /nfs/dbraw/zinc/20/59/95/655205995.db2.gz IFXLGWWVKPUGOD-CABCVRRESA-N 0 1 384.318 2.535 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000180652588 655328993 /nfs/dbraw/zinc/32/89/93/655328993.db2.gz ZLALTFWNNASGDO-CJNGLKHVSA-N 0 1 380.286 2.834 20 10 GFCDMN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1C ZINC000743049966 655725890 /nfs/dbraw/zinc/72/58/90/655725890.db2.gz LNGDIHQNRYPSNQ-UHFFFAOYSA-N 0 1 378.479 2.970 20 10 GFCDMN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756535439 655901596 /nfs/dbraw/zinc/90/15/96/655901596.db2.gz QBKBFIWJSBGQNE-QWHCGFSZSA-N 0 1 388.325 2.828 20 10 GFCDMN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000756837047 655905916 /nfs/dbraw/zinc/90/59/16/655905916.db2.gz FJTDOAMBITYCSL-JRPNMDOOSA-N 0 1 393.285 2.733 20 10 GFCDMN CCOC(=O)[C@H](C)NCc1cc(Br)cc(Br)c1O ZINC000763266916 656077662 /nfs/dbraw/zinc/07/76/62/656077662.db2.gz FMTZCBVPFMERPQ-ZETCQYMHSA-N 0 1 381.064 2.958 20 10 GFCDMN COCC[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840995318 661224779 /nfs/dbraw/zinc/22/47/79/661224779.db2.gz FJTFVVIGICCITP-UHFFFAOYSA-N 0 1 385.302 2.972 20 10 GFCDMN Cn1nc(Br)cc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000785436980 657364896 /nfs/dbraw/zinc/36/48/96/657364896.db2.gz RBRIMLGDNUZVCC-UHFFFAOYSA-N 0 1 397.292 2.573 20 10 GFCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1(S(C)(=O)=O)CC1 ZINC000797071254 658974600 /nfs/dbraw/zinc/97/46/00/658974600.db2.gz QDNAPTLTRGMPAL-UONOGXRCSA-N 0 1 386.945 2.793 20 10 GFCDMN COC(=O)N1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805050410 659727179 /nfs/dbraw/zinc/72/71/79/659727179.db2.gz IORGRDQDUCVTGQ-NSHDSACASA-N 0 1 376.240 2.729 20 10 GFCDMN CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805300659 659765064 /nfs/dbraw/zinc/76/50/64/659765064.db2.gz CVNHBDAAMMAUSG-LLVKDONJSA-N 0 1 376.240 2.729 20 10 GFCDMN O=C(CNC(=O)Cc1cccc(F)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838337 659866973 /nfs/dbraw/zinc/86/69/73/659866973.db2.gz PHZMEBSNXFYENQ-UHFFFAOYSA-N 0 1 385.222 2.813 20 10 GFCDMN O=C(Cn1ncc2ccccc2c1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840228 659867205 /nfs/dbraw/zinc/86/72/05/659867205.db2.gz VIEPXMDJNNUDFB-UHFFFAOYSA-N 0 1 378.215 2.725 20 10 GFCDMN CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)ccc21 ZINC000808113504 659877492 /nfs/dbraw/zinc/87/74/92/659877492.db2.gz BJNTZNYZAFDQGN-UHFFFAOYSA-N 0 1 386.788 2.913 20 10 GFCDMN CC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209526 659966361 /nfs/dbraw/zinc/96/63/61/659966361.db2.gz GXFDCVLIBQRFMV-CQSZACIVSA-N 0 1 380.432 2.876 20 10 GFCDMN CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227886 659967222 /nfs/dbraw/zinc/96/72/22/659967222.db2.gz MDBHNKRWDHONBN-SMDDNHRTSA-N 0 1 380.432 2.733 20 10 GFCDMN Cn1nnc(Br)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811529058 660011463 /nfs/dbraw/zinc/01/14/63/660011463.db2.gz JZXMMWPTWBOSOW-UHFFFAOYSA-N 0 1 380.029 2.520 20 10 GFCDMN COc1cc(CNCc2cc3c(cc2O)OCO3)c(Br)cc1O ZINC000842778674 661353771 /nfs/dbraw/zinc/35/37/71/661353771.db2.gz RAMPHXAFPCASRQ-UHFFFAOYSA-N 0 1 382.210 2.887 20 10 GFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843432471 661381396 /nfs/dbraw/zinc/38/13/96/661381396.db2.gz MCJSJTRXWGUIOC-CYBMUJFWSA-N 0 1 381.192 2.655 20 10 GFCDMN O=C(NCc1nc([C@H]2CCCO2)n[nH]1)NCc1cc(Cl)cc(Cl)c1O ZINC000847403424 661590700 /nfs/dbraw/zinc/59/07/00/661590700.db2.gz ZXGWOMKFUIFIFD-LLVKDONJSA-N 0 1 386.239 2.668 20 10 GFCDMN COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858093227 662098372 /nfs/dbraw/zinc/09/83/72/662098372.db2.gz VQVBQKYXRBJCLP-INIZCTEOSA-N 0 1 382.254 2.995 20 10 GFCDMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1cc(C)ccc1O ZINC000858236962 662105566 /nfs/dbraw/zinc/10/55/66/662105566.db2.gz BSQTZAMRXPFLPI-CQSZACIVSA-N 0 1 383.901 2.508 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)c3cccnc3Br)cc2)CC1 ZINC000881851581 663006083 /nfs/dbraw/zinc/00/60/83/663006083.db2.gz XDZUBURPNMLYBV-UHFFFAOYSA-N 0 1 389.297 2.526 20 10 GFCDMN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCS(=O)(=O)C1 ZINC000894566877 663469371 /nfs/dbraw/zinc/46/93/71/663469371.db2.gz QWFXYOJRGUSXRT-VIFPVBQESA-N 0 1 382.707 2.675 20 10 GFCDMN [O-]c1c(Br)cc(Cl)cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000895343377 663509570 /nfs/dbraw/zinc/50/95/70/663509570.db2.gz KDRVHFIUDRLHTF-AWEZNQCLSA-N 0 1 389.721 2.839 20 10 GFCDMN COc1ccc(CNCc2cc(Br)cnc2OC)c(O)c1OC ZINC000895588234 663519951 /nfs/dbraw/zinc/51/99/51/663519951.db2.gz HHRVKBBXZOBGKG-UHFFFAOYSA-N 0 1 383.242 2.865 20 10 GFCDMN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3c([O-])cccc3Br)C2)c1Cl ZINC000898372113 663645089 /nfs/dbraw/zinc/64/50/89/663645089.db2.gz MTRBQAQYPCUOQB-VIFPVBQESA-N 0 1 399.676 2.672 20 10 GFCDMN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)c1Cl ZINC000898372461 663645101 /nfs/dbraw/zinc/64/51/01/663645101.db2.gz SPJNNSLMUHQSML-LLVKDONJSA-N 0 1 399.676 2.672 20 10 GFCDMN C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(Br)cc1[O-] ZINC000903373728 663783368 /nfs/dbraw/zinc/78/33/68/663783368.db2.gz XXONMEDJYFEAOL-GFCCVEGCSA-N 0 1 386.286 2.854 20 10 GFCDMN Cn1cccc1C(=O)NC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000371416448 563276543 /nfs/dbraw/zinc/27/65/43/563276543.db2.gz MGMXHYOOJJSRGQ-UHFFFAOYSA-N 0 1 392.297 2.888 20 10 GFCDMN Cn1cc([C@]2(C)C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043941 602124405 /nfs/dbraw/zinc/12/44/05/602124405.db2.gz ZVMMXSZLCBMRNW-NRFANRHFSA-N 0 1 381.432 2.725 20 10 GFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511179 608585383 /nfs/dbraw/zinc/58/53/83/608585383.db2.gz FTVGVCURSBUUHZ-UHFFFAOYSA-N 0 1 384.871 2.938 20 10 GFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511179 608585384 /nfs/dbraw/zinc/58/53/84/608585384.db2.gz FTVGVCURSBUUHZ-UHFFFAOYSA-N 0 1 384.871 2.938 20 10 GFCDMN O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477044 609602445 /nfs/dbraw/zinc/60/24/45/609602445.db2.gz USMVEXBQYJIRAQ-MRXNPFEDSA-N 0 1 398.854 2.511 20 10 GFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824530399 660396016 /nfs/dbraw/zinc/39/60/16/660396016.db2.gz ZXXHUGFATMUMSM-LLVKDONJSA-N 0 1 399.310 2.995 20 10 GFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824530399 660396019 /nfs/dbraw/zinc/39/60/19/660396019.db2.gz ZXXHUGFATMUMSM-LLVKDONJSA-N 0 1 399.310 2.995 20 10 GFCDMN CN(Cc1ccc(Br)cc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000824863871 660403752 /nfs/dbraw/zinc/40/37/52/660403752.db2.gz WXWWOASCSNZCJO-HIFRSBDPSA-N 0 1 376.316 2.942 20 10 GFCDMN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825155464 660412887 /nfs/dbraw/zinc/41/28/87/660412887.db2.gz DZJIOEUYYWNHSX-UHFFFAOYSA-N 0 1 399.310 2.531 20 10 GFCDMN COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825064197 660409170 /nfs/dbraw/zinc/40/91/70/660409170.db2.gz KLQIOZOWDLQOLO-INIZCTEOSA-N 0 1 382.254 2.995 20 10 GFCDMN CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000159421522 655114274 /nfs/dbraw/zinc/11/42/74/655114274.db2.gz DBOIZQNJXZEEKF-ZDUSSCGKSA-N 0 1 381.325 2.993 20 10 GFCDMN COCCOCCOCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000274690478 655197368 /nfs/dbraw/zinc/19/73/68/655197368.db2.gz UQLHBBTTYMIWFE-ZDUSSCGKSA-N 0 1 376.291 2.875 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000174423433 655201971 /nfs/dbraw/zinc/20/19/71/655201971.db2.gz ZUVOMAAXOGIANK-DOMZBBRYSA-N 0 1 385.302 2.660 20 10 GFCDMN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756391040 655899196 /nfs/dbraw/zinc/89/91/96/655899196.db2.gz XJNVBLYIWFOZDD-VIFPVBQESA-N 0 1 381.713 2.643 20 10 GFCDMN Cc1cc([O-])c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(Cl)c1 ZINC000840898937 661204166 /nfs/dbraw/zinc/20/41/66/661204166.db2.gz LIRGYJDSNXJADZ-UHFFFAOYSA-N 0 1 382.860 2.708 20 10 GFCDMN Cn1ncc(NCc2cccc(Br)c2O)c(Br)c1=O ZINC000764935584 656123519 /nfs/dbraw/zinc/12/35/19/656123519.db2.gz YMZPCDBVGKAUSX-UHFFFAOYSA-N 0 1 389.047 2.623 20 10 GFCDMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(OC)ccc2O)s1 ZINC000776079821 656710234 /nfs/dbraw/zinc/71/02/34/656710234.db2.gz FCBUXFHPNKCJAO-UHFFFAOYSA-N 0 1 384.523 2.783 20 10 GFCDMN CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000781893960 657086955 /nfs/dbraw/zinc/08/69/55/657086955.db2.gz AOXYSFGMWMKCKP-ZDUSSCGKSA-N 0 1 376.316 2.862 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000796516600 658921627 /nfs/dbraw/zinc/92/16/27/658921627.db2.gz MDPGFUJAJMKRRW-ZDUSSCGKSA-N 0 1 383.208 2.507 20 10 GFCDMN C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000797116252 658983152 /nfs/dbraw/zinc/98/31/52/658983152.db2.gz GNNRGUHGCGIIPU-DGCLKSJQSA-N 0 1 391.331 2.619 20 10 GFCDMN O=S(=O)(NCC[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1F ZINC000799345119 659183330 /nfs/dbraw/zinc/18/33/30/659183330.db2.gz RHFSAZBCWVKBDZ-UHFFFAOYSA-N 0 1 393.267 2.906 20 10 GFCDMN CC(=O)C(=O)COC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC000808516114 659896749 /nfs/dbraw/zinc/89/67/49/659896749.db2.gz ZTZBIJNRSWGGSS-UHFFFAOYSA-N 0 1 381.793 2.674 20 10 GFCDMN CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227885 659967192 /nfs/dbraw/zinc/96/71/92/659967192.db2.gz MDBHNKRWDHONBN-RISCZKNCSA-N 0 1 380.432 2.733 20 10 GFCDMN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862246351 662277239 /nfs/dbraw/zinc/27/72/39/662277239.db2.gz NAICEIJWEHQPOT-INIZCTEOSA-N 0 1 380.286 2.834 20 10 GFCDMN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000880003470 662944932 /nfs/dbraw/zinc/94/49/32/662944932.db2.gz HQMUNXQUEBRABT-LBPRGKRZSA-N 0 1 393.267 2.855 20 10 GFCDMN CN1CCN(c2ccc(CNc3ccc(CO)c(Br)n3)cc2)CC1 ZINC000882879671 663044361 /nfs/dbraw/zinc/04/43/61/663044361.db2.gz HFMDKRHERBGEIQ-UHFFFAOYSA-N 0 1 391.313 2.700 20 10 GFCDMN C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000882988670 663046081 /nfs/dbraw/zinc/04/60/81/663046081.db2.gz ZZQJXVXVMOKBBW-NSHDSACASA-N 0 1 376.726 2.534 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1(C2(O)CCOCC2)CC1 ZINC000925656147 664673852 /nfs/dbraw/zinc/67/38/52/664673852.db2.gz VVLNYRXABPYIHQ-UHFFFAOYSA-N 0 1 389.279 2.820 20 10 GFCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Br)nc1N ZINC000929185438 664748061 /nfs/dbraw/zinc/74/80/61/664748061.db2.gz NZPRTSICPIGCHA-UHFFFAOYSA-N 0 1 391.313 2.895 20 10 GFCDMN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000184979352 552350424 /nfs/dbraw/zinc/35/04/24/552350424.db2.gz OAIHBKMDFCUUCG-LLVKDONJSA-N 0 1 391.331 2.619 20 10 GFCDMN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000237108395 553074818 /nfs/dbraw/zinc/07/48/18/553074818.db2.gz SATLJHYSAJLAIL-UHFFFAOYSA-N 0 1 399.310 2.695 20 10 GFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2[O-])cn1 ZINC000373168123 563330549 /nfs/dbraw/zinc/33/05/49/563330549.db2.gz TYXACOMNNYFAJE-WBVHZDCISA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2[O-])cn1 ZINC000373168123 563330554 /nfs/dbraw/zinc/33/05/54/563330554.db2.gz TYXACOMNNYFAJE-WBVHZDCISA-N 0 1 380.286 2.976 20 10 GFCDMN COC(=O)c1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)oc1C ZINC000299287599 563380528 /nfs/dbraw/zinc/38/05/28/563380528.db2.gz OFGBVTNTXJRTCS-NTEUORMPSA-N 0 1 380.491 2.670 20 10 GFCDMN C[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc(F)ccc1[O-] ZINC000375837493 563420610 /nfs/dbraw/zinc/42/06/10/563420610.db2.gz GSOZOLDRFYNJBL-OLZOCXBDSA-N 0 1 384.498 2.954 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000376891085 563457389 /nfs/dbraw/zinc/45/73/89/563457389.db2.gz YPXPQCWUPYCHBL-LRDDRELGSA-N 0 1 375.252 2.836 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000376891084 563457474 /nfs/dbraw/zinc/45/74/74/563457474.db2.gz YPXPQCWUPYCHBL-BLLLJJGKSA-N 0 1 375.252 2.836 20 10 GFCDMN C[C@H]1CC(=O)NCCN1Cc1cc(Br)cc(Br)c1O ZINC000377890283 563490224 /nfs/dbraw/zinc/49/02/24/563490224.db2.gz UCDZWKBQZGPQIJ-QMMMGPOBSA-N 0 1 392.091 2.628 20 10 GFCDMN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)CS2 ZINC000366279519 563803843 /nfs/dbraw/zinc/80/38/43/563803843.db2.gz HVWKYSHCTZATGX-IAQYHMDHSA-N 0 1 375.277 2.769 20 10 GFCDMN O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000638536430 565200286 /nfs/dbraw/zinc/20/02/86/565200286.db2.gz MGNACQGWOXYGBW-LLVKDONJSA-N 0 1 387.281 2.941 20 10 GFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)COc1ccc(F)cc1 ZINC000739794234 600145674 /nfs/dbraw/zinc/14/56/74/600145674.db2.gz XECOSMIMISAGTF-OAHLLOKOSA-N 0 1 383.803 2.511 20 10 GFCDMN CS(=O)(=O)CC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000840475534 661164801 /nfs/dbraw/zinc/16/48/01/661164801.db2.gz ZZXMZTRPRSTQSN-UHFFFAOYSA-N 0 1 395.308 2.713 20 10 GFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000779460768 656927836 /nfs/dbraw/zinc/92/78/36/656927836.db2.gz SNIWYHSDGGUWRJ-UHFFFAOYSA-N 0 1 386.223 2.742 20 10 GFCDMN COc1ccc(CNC(=O)c2n[nH]c3ccc(Br)cc32)c(O)c1 ZINC000794378579 658535061 /nfs/dbraw/zinc/53/50/61/658535061.db2.gz YXMVCWHCRHHJEN-UHFFFAOYSA-N 0 1 376.210 2.970 20 10 GFCDMN C[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000797071252 658974357 /nfs/dbraw/zinc/97/43/57/658974357.db2.gz QDNAPTLTRGMPAL-KGLIPLIRSA-N 0 1 386.945 2.793 20 10 GFCDMN O=C(NCc1nc(C(F)(F)F)n[nH]1)NCc1cc(Cl)cc(Cl)c1O ZINC000807142574 659848880 /nfs/dbraw/zinc/84/88/80/659848880.db2.gz XPDYJBBUYYYHAM-UHFFFAOYSA-N 0 1 384.145 2.835 20 10 GFCDMN COc1ncc(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511251 659857105 /nfs/dbraw/zinc/85/71/05/659857105.db2.gz JCIYNBGKVFKLRH-UHFFFAOYSA-N 0 1 384.219 2.666 20 10 GFCDMN COCCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)cc1C ZINC000807838265 659866926 /nfs/dbraw/zinc/86/69/26/659866926.db2.gz OBVQLFQQFNFTKK-UHFFFAOYSA-N 0 1 385.247 2.746 20 10 GFCDMN COCCN(C)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000809713548 659937118 /nfs/dbraw/zinc/93/71/18/659937118.db2.gz SRBHRDVESSPZOE-UHFFFAOYSA-N 0 1 380.286 2.922 20 10 GFCDMN CS(=O)(=O)CC[C@H]1CCCCN1Cc1cccc(Br)c1O ZINC000814171634 660073702 /nfs/dbraw/zinc/07/37/02/660073702.db2.gz SABFDUIGPNPZJL-CYBMUJFWSA-N 0 1 376.316 2.944 20 10 GFCDMN CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)c(F)cc1O)C2 ZINC000816603718 660162491 /nfs/dbraw/zinc/16/24/91/660162491.db2.gz OBRCPYGGUCTLKV-UHFFFAOYSA-N 0 1 384.860 2.651 20 10 GFCDMN COc1cc(Br)cc([C@H](C)NCc2nc([C@@H]3CCCO3)n[nH]2)c1O ZINC000848557277 661664809 /nfs/dbraw/zinc/66/48/09/661664809.db2.gz IMQKHMCUIKOCCY-CABZTGNLSA-N 0 1 397.273 2.984 20 10 GFCDMN O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000852455971 661864363 /nfs/dbraw/zinc/86/43/63/661864363.db2.gz HKLCIPMQVQHEIS-HSZRJFAPSA-N 0 1 393.214 2.809 20 10 GFCDMN CNS(=O)(=O)c1cccc([C@H](C)NCc2c(O)cccc2Br)c1 ZINC000858125111 662099919 /nfs/dbraw/zinc/09/99/19/662099919.db2.gz ZPAUQQMHIHYENE-NSHDSACASA-N 0 1 399.310 2.914 20 10 GFCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)[C@H]1COCC12OCCO2 ZINC000858176799 662103225 /nfs/dbraw/zinc/10/32/25/662103225.db2.gz APXFZGCKBQHRFW-OAHLLOKOSA-N 0 1 386.286 2.660 20 10 GFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Br)cn1 ZINC000862251910 662277818 /nfs/dbraw/zinc/27/78/18/662277818.db2.gz ACRKVCHOXVVPMQ-DYVFJYSZSA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2c([O-])cccc2Br)cn1 ZINC000862251910 662277820 /nfs/dbraw/zinc/27/78/20/662277820.db2.gz ACRKVCHOXVVPMQ-DYVFJYSZSA-N 0 1 380.286 2.976 20 10 GFCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000894023832 663437953 /nfs/dbraw/zinc/43/79/53/663437953.db2.gz BVUVZLQFXFQQOM-NSHDSACASA-N 0 1 399.182 2.889 20 10 GFCDMN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894787499 663481738 /nfs/dbraw/zinc/48/17/38/663481738.db2.gz SFBRWHWKFGEMNN-LBPRGKRZSA-N 0 1 376.469 2.552 20 10 GFCDMN CN(c1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1)S(C)(=O)=O ZINC000898282523 663641824 /nfs/dbraw/zinc/64/18/24/663641824.db2.gz GCWOMWNMAGHPOI-UHFFFAOYSA-N 0 1 399.310 2.840 20 10 GFCDMN CN(c1cccc(CNCc2c(O)cccc2Br)c1)S(C)(=O)=O ZINC000898282523 663641828 /nfs/dbraw/zinc/64/18/28/663641828.db2.gz GCWOMWNMAGHPOI-UHFFFAOYSA-N 0 1 399.310 2.840 20 10 GFCDMN CCOC(=O)Cn1cnc(NCc2cc(Cl)cc(Br)c2O)n1 ZINC000905414425 663870184 /nfs/dbraw/zinc/87/01/84/663870184.db2.gz FDNLDWGDEBPXBO-UHFFFAOYSA-N 0 1 389.637 2.575 20 10 GFCDMN Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(C)cc(Br)c2[O-])n[nH]1 ZINC000922406106 664600036 /nfs/dbraw/zinc/60/00/36/664600036.db2.gz AIPJZZDRIRSHSO-IAQYHMDHSA-N 0 1 381.274 2.757 20 10 GFCDMN COc1c([O-])c(C[NH2+][C@@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000278505539 563259358 /nfs/dbraw/zinc/25/93/58/563259358.db2.gz ORJQTSCJSQGOOI-ZDUSSCGKSA-N 0 1 397.225 2.895 20 10 GFCDMN CCN1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)cc3)cc2F)CC1 ZINC000736568112 598389658 /nfs/dbraw/zinc/38/96/58/598389658.db2.gz IVKYXQJKRGSJQF-UHFFFAOYSA-N 0 1 381.459 2.760 20 10 GFCDMN FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000822733365 599461139 /nfs/dbraw/zinc/46/11/39/599461139.db2.gz ZLBUAZOAPUXEIP-GFCCVEGCSA-N 0 1 390.394 2.820 20 10 GFCDMN CCn1c2ccc(-c3nn[nH]n3)cc2nc1-c1ccc(N2CCN(C)CC2)cc1 ZINC000825783140 608213309 /nfs/dbraw/zinc/21/33/09/608213309.db2.gz ZUAGTOZFSPIYGS-UHFFFAOYSA-N 0 1 388.479 2.655 20 10 GFCDMN CN(Cc1ccc(Br)cc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000824863865 660403743 /nfs/dbraw/zinc/40/37/43/660403743.db2.gz WXWWOASCSNZCJO-DZGCQCFKSA-N 0 1 376.316 2.942 20 10 GFCDMN CN(Cc1ccc(Br)cc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000824863874 660403763 /nfs/dbraw/zinc/40/37/63/660403763.db2.gz WXWWOASCSNZCJO-ZFWWWQNUSA-N 0 1 376.316 2.942 20 10 GFCDMN Cn1cc(I)c(CNCc2cc(Cl)cc(F)c2O)n1 ZINC000825079677 660410192 /nfs/dbraw/zinc/41/01/92/660410192.db2.gz ZVNSNHAFKNYQQP-UHFFFAOYSA-N 0 1 395.603 2.813 20 10 GFCDMN CCS(=O)(=O)CCNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838929074 661063633 /nfs/dbraw/zinc/06/36/33/661063633.db2.gz VHVOBRMFXOXJSG-UHFFFAOYSA-N 0 1 389.359 2.964 20 10 GFCDMN CCCCN(Cc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160753054 655124092 /nfs/dbraw/zinc/12/40/92/655124092.db2.gz UTSCHJHYYFOVOT-AWEZNQCLSA-N 0 1 376.316 2.944 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000247709464 655431953 /nfs/dbraw/zinc/43/19/53/655431953.db2.gz ZUVOMAAXOGIANK-IUODEOHRSA-N 0 1 385.302 2.660 20 10 GFCDMN Cc1nnc(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)[nH]1 ZINC000264230657 655459433 /nfs/dbraw/zinc/45/94/33/655459433.db2.gz XWYILKRREHPSBO-FLIBITNWSA-N 0 1 393.519 2.795 20 10 GFCDMN C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000756482161 655900494 /nfs/dbraw/zinc/90/04/94/655900494.db2.gz HOXYSKPDDMNNGS-SNVBAGLBSA-N 0 1 379.320 2.523 20 10 GFCDMN C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000756840736 655905895 /nfs/dbraw/zinc/90/58/95/655905895.db2.gz YSPOVCBIHCSFIF-ZIBATOQPSA-N 0 1 393.285 2.733 20 10 GFCDMN Oc1c(Br)cccc1CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000769237080 656267948 /nfs/dbraw/zinc/26/79/48/656267948.db2.gz AEZNVGDNFPPUCY-CYBMUJFWSA-N 0 1 380.242 2.989 20 10 GFCDMN [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3cccc(Br)c3[O-])cc2C1 ZINC000841322084 661252071 /nfs/dbraw/zinc/25/20/71/661252071.db2.gz NELUJYXYOKIRAT-GFCCVEGCSA-N 0 1 391.269 2.687 20 10 GFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000781895604 657086653 /nfs/dbraw/zinc/08/66/53/657086653.db2.gz WDOXGHRTJRATCZ-CQSZACIVSA-N 0 1 397.313 2.534 20 10 GFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000781895603 657086725 /nfs/dbraw/zinc/08/67/25/657086725.db2.gz WDOXGHRTJRATCZ-AWEZNQCLSA-N 0 1 397.313 2.534 20 10 GFCDMN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794830280 658620103 /nfs/dbraw/zinc/62/01/03/658620103.db2.gz VQTGMAXTLJACRO-CQSZACIVSA-N 0 1 386.945 2.795 20 10 GFCDMN CN1C(=O)/C(=C/c2cc(O)ccc2[N+](=O)[O-])c2cc(Br)cnc21 ZINC000794955774 658641363 /nfs/dbraw/zinc/64/13/63/658641363.db2.gz BBISSNHJUIVUFF-LFYBBSHMSA-N 0 1 376.166 2.975 20 10 GFCDMN COc1ccc(N2CCN(C[C@H](O)CSCCC(F)(F)F)CC2)cc1 ZINC000795555658 658830251 /nfs/dbraw/zinc/83/02/51/658830251.db2.gz GPQPNYFDMCNISW-HNNXBMFYSA-N 0 1 378.460 2.864 20 10 GFCDMN CC(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCOCC1 ZINC000804902913 659692308 /nfs/dbraw/zinc/69/23/08/659692308.db2.gz WZCREZMIGDONHV-OAHLLOKOSA-N 0 1 390.311 2.855 20 10 GFCDMN COC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805051897 659727734 /nfs/dbraw/zinc/72/77/34/659727734.db2.gz PSIHHTOAAOIXHA-UHFFFAOYSA-N 0 1 376.240 2.729 20 10 GFCDMN COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805138345 659748542 /nfs/dbraw/zinc/74/85/42/659748542.db2.gz RGSHLRNXCORKMD-ZDUSSCGKSA-N 0 1 376.284 2.609 20 10 GFCDMN COCc1cnc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807512701 659857547 /nfs/dbraw/zinc/85/75/47/659857547.db2.gz FMFYOVZPCBYJDQ-UHFFFAOYSA-N 0 1 390.248 2.557 20 10 GFCDMN Cc1ccn2c(c1)ncc(C(=O)NCc1cc(Cl)cc(Cl)c1O)c2=O ZINC000807838438 659866959 /nfs/dbraw/zinc/86/69/59/659866959.db2.gz ROAOQKGMVVEPIH-UHFFFAOYSA-N 0 1 378.215 2.945 20 10 GFCDMN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cccc(Br)c1O ZINC000814171637 660073729 /nfs/dbraw/zinc/07/37/29/660073729.db2.gz SABFDUIGPNPZJL-ZDUSSCGKSA-N 0 1 376.316 2.944 20 10 GFCDMN CCOC(=O)c1cnc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1C ZINC000841708222 661310004 /nfs/dbraw/zinc/31/00/04/661310004.db2.gz IUWXBIRGQYBZFM-UHFFFAOYSA-N 0 1 387.223 2.931 20 10 GFCDMN CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])cccc1Br ZINC000858133538 662100342 /nfs/dbraw/zinc/10/03/42/662100342.db2.gz XMQJINMMBRABQN-INIZCTEOSA-N 0 1 377.282 2.944 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NCc1cccc2c1CC[NH2+]C2 ZINC000892337131 663370012 /nfs/dbraw/zinc/37/00/12/663370012.db2.gz SSXJSOOQBNWROV-UHFFFAOYSA-N 0 1 390.281 2.800 20 10 GFCDMN C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)C1 ZINC000894014029 663437451 /nfs/dbraw/zinc/43/74/51/663437451.db2.gz HXAVUAVRGVWXFF-OAHLLOKOSA-N 0 1 386.309 2.506 20 10 GFCDMN O=S1(=O)CCN(Cc2cc(Br)cc(F)c2O)[C@@H](C2CCC2)C1 ZINC000894990790 663493524 /nfs/dbraw/zinc/49/35/24/663493524.db2.gz LRWXXXPKXJOPPM-CQSZACIVSA-N 0 1 392.290 2.693 20 10 GFCDMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O ZINC000000842321 206326054 /nfs/dbraw/zinc/32/60/54/206326054.db2.gz YRKSIFGJBITLBC-KPKJPENVSA-N 0 1 389.205 2.625 20 10 GFCDMN CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000156612640 551525504 /nfs/dbraw/zinc/52/55/04/551525504.db2.gz UWHOVWHMEDSBON-HUUCEWRRSA-N 0 1 393.285 2.734 20 10 GFCDMN COc1cc(Cl)cc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000184684237 552342375 /nfs/dbraw/zinc/34/23/75/552342375.db2.gz FHKQWKIUDDRUGI-NSHDSACASA-N 0 1 384.885 2.895 20 10 GFCDMN O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000279327152 563292431 /nfs/dbraw/zinc/29/24/31/563292431.db2.gz CSAOSCZQSRQHDY-ZDUSSCGKSA-N 0 1 379.309 2.699 20 10 GFCDMN O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000279327152 563292433 /nfs/dbraw/zinc/29/24/33/563292433.db2.gz CSAOSCZQSRQHDY-ZDUSSCGKSA-N 0 1 379.309 2.699 20 10 GFCDMN Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3[O-])C2)no1 ZINC000369267638 563890643 /nfs/dbraw/zinc/89/06/43/563890643.db2.gz QZWAYQROVAVGSX-CQSZACIVSA-N 0 1 381.274 2.600 20 10 GFCDMN Cc1cc(O)c(CN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1C ZINC000737279269 598234799 /nfs/dbraw/zinc/23/47/99/598234799.db2.gz OZZUXSMDTPHLQU-UHFFFAOYSA-N 0 1 382.443 2.650 20 10 GFCDMN Nc1ccc(F)c(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000833091029 601317476 /nfs/dbraw/zinc/31/74/76/601317476.db2.gz HQYGCBCBMBUFSD-UHFFFAOYSA-N 0 1 395.818 2.682 20 10 GFCDMN CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826800644 604914467 /nfs/dbraw/zinc/91/44/67/604914467.db2.gz PEZOIYHXTIKAMV-JKSUJKDBSA-N 0 1 397.903 2.809 20 10 GFCDMN COc1cc(-c2nn[nH]n2)ccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826168458 608372390 /nfs/dbraw/zinc/37/23/90/608372390.db2.gz NNQDSJJIVFJBRN-SFHVURJKSA-N 0 1 395.463 2.762 20 10 GFCDMN CCN(CC)c1ccc(CN(C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000825417392 608506416 /nfs/dbraw/zinc/50/64/16/608506416.db2.gz QPDXQNASKCJQQP-UHFFFAOYSA-N 0 1 390.495 2.993 20 10 GFCDMN CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825326097 660420755 /nfs/dbraw/zinc/42/07/55/660420755.db2.gz OCASXLWWPVRTGD-UHFFFAOYSA-N 0 1 384.295 2.989 20 10 GFCDMN COc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1OC ZINC000063824172 654858742 /nfs/dbraw/zinc/85/87/42/654858742.db2.gz KAOBKQLIASPPGX-PTNGSMBKSA-N 0 1 378.519 2.999 20 10 GFCDMN O=S(=O)(NCC[NH2+]Cc1c([O-])cccc1Cl)c1cccc(Cl)c1 ZINC000113329535 655208030 /nfs/dbraw/zinc/20/80/30/655208030.db2.gz KQIGSEXLECXZGG-UHFFFAOYSA-N 0 1 375.277 2.767 20 10 GFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000119475805 655305201 /nfs/dbraw/zinc/30/52/01/655305201.db2.gz RQLDXZFVTVWNMY-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cccc(OC)c2O)s1 ZINC000725849284 655527911 /nfs/dbraw/zinc/52/79/11/655527911.db2.gz ZCWGWKAXVSTLDI-UHFFFAOYSA-N 0 1 384.523 2.783 20 10 GFCDMN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)c1 ZINC000743046318 655725730 /nfs/dbraw/zinc/72/57/30/655725730.db2.gz AUBBSFZJKPRFMY-UHFFFAOYSA-N 0 1 378.479 2.970 20 10 GFCDMN CCCN(CCC)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000754152899 655864372 /nfs/dbraw/zinc/86/43/72/655864372.db2.gz AAHBRANSGMORIA-UHFFFAOYSA-N 0 1 389.949 2.530 20 10 GFCDMN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cccc(Br)c2O)cn1 ZINC000754155038 655864481 /nfs/dbraw/zinc/86/44/81/655864481.db2.gz UHJVIFHASBCLQC-WNSKOXEYSA-N 0 1 398.326 2.677 20 10 GFCDMN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756459465 655900279 /nfs/dbraw/zinc/90/02/79/655900279.db2.gz ONXDBHBPTZKZMY-JQWIXIFHSA-N 0 1 377.710 2.915 20 10 GFCDMN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Br)c3O)CC2)cn1 ZINC000768302631 656236687 /nfs/dbraw/zinc/23/66/87/656236687.db2.gz JCBJHQVCJOKXIO-UHFFFAOYSA-N 0 1 393.241 2.780 20 10 GFCDMN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cn1 ZINC000775507651 656645240 /nfs/dbraw/zinc/64/52/40/656645240.db2.gz NVCMUPATLOMTLR-AWEZNQCLSA-N 0 1 379.913 2.821 20 10 GFCDMN CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775521538 656646783 /nfs/dbraw/zinc/64/67/83/656646783.db2.gz YIPDMKRQDWIHHP-HOCLYGCPSA-N 0 1 390.933 2.575 20 10 GFCDMN C[C@@H](NCc1cc(Br)nn1C)c1ccc(N2CCOCC2)cc1 ZINC000785438004 657364642 /nfs/dbraw/zinc/36/46/42/657364642.db2.gz APCSNXWSSAHUKY-CYBMUJFWSA-N 0 1 379.302 2.870 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000802656658 659492913 /nfs/dbraw/zinc/49/29/13/659492913.db2.gz NWTMQJQFEGYRSV-PHIMTYICSA-N 0 1 393.075 2.517 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccnn1CC1CC1 ZINC000807511037 659857180 /nfs/dbraw/zinc/85/71/80/659857180.db2.gz DDTRIWZSTFTJLQ-UHFFFAOYSA-N 0 1 383.235 2.560 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000807513219 659857508 /nfs/dbraw/zinc/85/75/08/659857508.db2.gz UWVXRZKZQHLEMX-UHFFFAOYSA-N 0 1 383.235 2.560 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000807839170 659866866 /nfs/dbraw/zinc/86/68/66/659866866.db2.gz IVCACWHXBBBULR-LLVKDONJSA-N 0 1 383.231 2.957 20 10 GFCDMN C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813686265 660060622 /nfs/dbraw/zinc/06/06/22/660060622.db2.gz XHHTZSCOLVTRNP-SSDOTTSWSA-N 0 1 388.280 2.817 20 10 GFCDMN C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)cc1[O-] ZINC000841748001 661311667 /nfs/dbraw/zinc/31/16/67/661311667.db2.gz GKNLEMREXDTXQI-CMPLNLGQSA-N 0 1 375.899 2.593 20 10 GFCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@]1(CO)CCOC1 ZINC000862427411 662287390 /nfs/dbraw/zinc/28/73/90/662287390.db2.gz YCBUADGVUGOPSC-ZDUSSCGKSA-N 0 1 395.091 2.500 20 10 GFCDMN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])N1CCN(C)CC1 ZINC000882984743 663045888 /nfs/dbraw/zinc/04/58/88/663045888.db2.gz RTZJVHRUGNXTPB-NSHDSACASA-N 0 1 376.726 2.534 20 10 GFCDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Br)cc(F)c1[O-] ZINC000894580772 663470001 /nfs/dbraw/zinc/47/00/01/663470001.db2.gz NECPTKDXKPTQEB-LBPRGKRZSA-N 0 1 387.293 2.979 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898186532 663637595 /nfs/dbraw/zinc/63/75/95/663637595.db2.gz DBQTXHUBGNRJRY-GHMZBOCLSA-N 0 1 383.055 2.822 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927636520 664713098 /nfs/dbraw/zinc/71/30/98/664713098.db2.gz YPLQLCWVOPKOLV-AWEZNQCLSA-N 0 1 388.295 2.752 20 10 GFCDMN CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000156612524 551525359 /nfs/dbraw/zinc/52/53/59/551525359.db2.gz UWHOVWHMEDSBON-LSDHHAIUSA-N 0 1 393.285 2.734 20 10 GFCDMN C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000186081933 552378309 /nfs/dbraw/zinc/37/83/09/552378309.db2.gz FPIKHVYPUSJMJL-RISCZKNCSA-N 0 1 393.285 2.734 20 10 GFCDMN COc1cc(Br)cc(CN2CCOC3(CCOCC3)CC2)c1O ZINC000375080580 563389530 /nfs/dbraw/zinc/38/95/30/563389530.db2.gz XJDPZLBSHUBWCP-UHFFFAOYSA-N 0 1 386.286 2.935 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000283911793 563458852 /nfs/dbraw/zinc/45/88/52/563458852.db2.gz BTXKIPHOUUQSRW-LBPRGKRZSA-N 0 1 376.316 2.801 20 10 GFCDMN CCN1CCN(c2ccc(CNc3cccc(F)c3-c3nn[nH]n3)cc2F)CC1 ZINC000736567897 598389613 /nfs/dbraw/zinc/38/96/13/598389613.db2.gz GXVIULWYOLUOQP-UHFFFAOYSA-N 0 1 399.449 2.899 20 10 GFCDMN COc1ccc(OC)c([C@@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000738047479 600314995 /nfs/dbraw/zinc/31/49/95/600314995.db2.gz FBTDQCHMZWHSOF-KRWDZBQOSA-N 0 1 395.839 2.683 20 10 GFCDMN CC(C)[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000826947376 604967915 /nfs/dbraw/zinc/96/79/15/604967915.db2.gz RRCZMODFDZJAPS-UNOMPAQXSA-N 0 1 391.537 2.855 20 10 GFCDMN COC(=O)c1cc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc(C(=O)[O-])c1 ZINC000833713011 605201378 /nfs/dbraw/zinc/20/13/78/605201378.db2.gz QVBWYWWJJSSPOZ-UHFFFAOYSA-N 0 1 384.432 2.502 20 10 GFCDMN CN(C)c1ccc(CN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)cc1 ZINC000825879155 608521482 /nfs/dbraw/zinc/52/14/82/608521482.db2.gz IJNLWKLSBIEXNW-UHFFFAOYSA-N 0 1 388.479 2.745 20 10 GFCDMN CCOc1cccc(CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000825649064 608853814 /nfs/dbraw/zinc/85/38/14/608853814.db2.gz KJLWPOJFKQAUGL-SFHVURJKSA-N 0 1 381.436 2.545 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824606245 660397880 /nfs/dbraw/zinc/39/78/80/660397880.db2.gz QBGRJNONPIQPPD-JSGCOSHPSA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824606245 660397881 /nfs/dbraw/zinc/39/78/81/660397881.db2.gz QBGRJNONPIQPPD-JSGCOSHPSA-N 0 1 385.302 2.518 20 10 GFCDMN CN(C)C(=O)COc1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825124938 660411690 /nfs/dbraw/zinc/41/16/90/660411690.db2.gz AXGSLQRTYGWIQB-UHFFFAOYSA-N 0 1 393.281 2.912 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CN(C)[C@@H]1CCSC1 ZINC000124455999 654776303 /nfs/dbraw/zinc/77/63/03/654776303.db2.gz QUDRITVACFVPQB-CQSZACIVSA-N 0 1 387.343 2.941 20 10 GFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000119439186 655303858 /nfs/dbraw/zinc/30/38/58/655303858.db2.gz UXSMPYWJZSJBRZ-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000119439186 655303860 /nfs/dbraw/zinc/30/38/60/655303860.db2.gz UXSMPYWJZSJBRZ-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN CN(C)S(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000195316650 655420108 /nfs/dbraw/zinc/42/01/08/655420108.db2.gz OEMKXRYSLUCYFP-UHFFFAOYSA-N 0 1 376.265 2.956 20 10 GFCDMN O=C1NCCN(Cc2cccc(Br)c2O)[C@H]1c1ccccc1F ZINC000753590348 655856363 /nfs/dbraw/zinc/85/63/63/655856363.db2.gz MFGOXHOGPNBKKA-HNNXBMFYSA-N 0 1 379.229 2.967 20 10 GFCDMN C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756402791 655899305 /nfs/dbraw/zinc/89/93/05/655899305.db2.gz YVFSUNYONCAJKJ-GFCCVEGCSA-N 0 1 388.325 2.970 20 10 GFCDMN COc1ccc(N2CCC(NCc3c(Br)cnn3C)CC2)cc1 ZINC000785444993 657365627 /nfs/dbraw/zinc/36/56/27/657365627.db2.gz AHUQWSDGECKNMA-UHFFFAOYSA-N 0 1 379.302 2.950 20 10 GFCDMN COC(=O)[C@H](NCc1cc(Br)cc(Br)c1O)C1CC1 ZINC000789571846 657867250 /nfs/dbraw/zinc/86/72/50/657867250.db2.gz BYKDDRZJFBYONV-LLVKDONJSA-N 0 1 393.075 2.958 20 10 GFCDMN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794830279 658619355 /nfs/dbraw/zinc/61/93/55/658619355.db2.gz VQTGMAXTLJACRO-AWEZNQCLSA-N 0 1 386.945 2.795 20 10 GFCDMN COc1cc(NS(=O)(=O)c2cc(Br)ccc2OC)ccc1O ZINC000797820041 659054767 /nfs/dbraw/zinc/05/47/67/659054767.db2.gz CUKYFBWXJHBGFB-UHFFFAOYSA-N 0 1 388.239 2.973 20 10 GFCDMN O=S(=O)(NCC[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(F)cc1Cl ZINC000800895623 659344635 /nfs/dbraw/zinc/34/46/35/659344635.db2.gz RLEQQWRWVYNQGN-UHFFFAOYSA-N 0 1 393.267 2.906 20 10 GFCDMN O=C(NCc1cc(Br)ccc1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000804739093 659679893 /nfs/dbraw/zinc/67/98/93/659679893.db2.gz QIIVRHQEWVHJBU-UHFFFAOYSA-N 0 1 391.181 2.869 20 10 GFCDMN CNC(=O)[C@H](CCSC)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000806662733 659839118 /nfs/dbraw/zinc/83/91/18/659839118.db2.gz FVLQUHUYVMERIN-DYVFJYSZSA-N 0 1 385.961 2.695 20 10 GFCDMN C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000807179155 659849198 /nfs/dbraw/zinc/84/91/98/659849198.db2.gz AHGZXTVJQCPIEI-GFCCVEGCSA-N 0 1 390.311 2.999 20 10 GFCDMN COc1cccc(C(=O)NCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837301 659866568 /nfs/dbraw/zinc/86/65/68/659866568.db2.gz KRFPBORFLMHKHW-UHFFFAOYSA-N 0 1 383.231 2.754 20 10 GFCDMN Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cccc1S(N)(=O)=O ZINC000807836307 659866621 /nfs/dbraw/zinc/86/66/21/659866621.db2.gz UPZKSFQEVPMDJC-UHFFFAOYSA-N 0 1 389.260 2.585 20 10 GFCDMN CC(=O)C(=O)COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000808021256 659873409 /nfs/dbraw/zinc/87/34/09/659873409.db2.gz GENRBBJVFVWADQ-UHFFFAOYSA-N 0 1 381.837 2.986 20 10 GFCDMN C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813686266 660060598 /nfs/dbraw/zinc/06/05/98/660060598.db2.gz XHHTZSCOLVTRNP-ZETCQYMHSA-N 0 1 388.280 2.817 20 10 GFCDMN COc1cc(C[NH2+]Cc2c([O-])cccc2Br)ccc1OCCO ZINC000858101992 662098968 /nfs/dbraw/zinc/09/89/68/662098968.db2.gz NDJDTXBZONVWQQ-UHFFFAOYSA-N 0 1 382.254 2.824 20 10 GFCDMN O=S(=O)(CC[NH2+]Cc1c([O-])cccc1Br)Cc1ccccc1 ZINC000858109236 662099110 /nfs/dbraw/zinc/09/91/10/662099110.db2.gz OOCIMGNQWAXJNP-UHFFFAOYSA-N 0 1 384.295 2.859 20 10 GFCDMN O=S(=O)(CCNCc1c(O)cccc1Br)Cc1ccccc1 ZINC000858109236 662099111 /nfs/dbraw/zinc/09/91/11/662099111.db2.gz OOCIMGNQWAXJNP-UHFFFAOYSA-N 0 1 384.295 2.859 20 10 GFCDMN COc1ccc(N2CCC(NCc3cn(C)nc3Br)CC2)cc1 ZINC000858122222 662099613 /nfs/dbraw/zinc/09/96/13/662099613.db2.gz DWZKLQLGSWFLAM-UHFFFAOYSA-N 0 1 379.302 2.950 20 10 GFCDMN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862354127 662282225 /nfs/dbraw/zinc/28/22/25/662282225.db2.gz LHHIATJVIPAORU-QGZVFWFLSA-N 0 1 386.286 2.946 20 10 GFCDMN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862354127 662282231 /nfs/dbraw/zinc/28/22/31/662282231.db2.gz LHHIATJVIPAORU-QGZVFWFLSA-N 0 1 386.286 2.946 20 10 GFCDMN O=S1(=O)CC[C@@H]([N@H+](Cc2cc(Cl)cc(Br)c2[O-])C2CC2)C1 ZINC000893945850 663432989 /nfs/dbraw/zinc/43/29/89/663432989.db2.gz IIVHHTDTFDZEPU-GFCCVEGCSA-N 0 1 394.718 2.960 20 10 GFCDMN O=S1(=O)CC[C@@H]([N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C2CC2)C1 ZINC000893945850 663432993 /nfs/dbraw/zinc/43/29/93/663432993.db2.gz IIVHHTDTFDZEPU-GFCCVEGCSA-N 0 1 394.718 2.960 20 10 GFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895083447 663498819 /nfs/dbraw/zinc/49/88/19/663498819.db2.gz KMTSOUAPYVMAJC-CYBMUJFWSA-N 0 1 399.182 2.794 20 10 GFCDMN COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895392060 663511695 /nfs/dbraw/zinc/51/16/95/663511695.db2.gz KNMPCBIMJKVQGQ-AWEZNQCLSA-N 0 1 378.650 2.572 20 10 GFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646723 551195333 /nfs/dbraw/zinc/19/53/33/551195333.db2.gz YNRRKTKBDPNPGO-JSGCOSHPSA-N 0 1 376.862 2.741 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000186082451 552378950 /nfs/dbraw/zinc/37/89/50/552378950.db2.gz HVVXCNCOVFLSHS-BXUZGUMPSA-N 0 1 393.285 2.734 20 10 GFCDMN O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000367206382 563836344 /nfs/dbraw/zinc/83/63/44/563836344.db2.gz QINUPMVJGAXOJX-LBPRGKRZSA-N 0 1 386.926 2.908 20 10 GFCDMN FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000822733366 599461122 /nfs/dbraw/zinc/46/11/22/599461122.db2.gz ZLBUAZOAPUXEIP-LBPRGKRZSA-N 0 1 390.394 2.820 20 10 GFCDMN Cc1ccccc1OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000738784794 600145238 /nfs/dbraw/zinc/14/52/38/600145238.db2.gz OUCPFZQAEULPNV-MRXNPFEDSA-N 0 1 379.840 2.681 20 10 GFCDMN C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739711432 602653697 /nfs/dbraw/zinc/65/36/97/602653697.db2.gz RWVTXCICWKGXBX-HXUWFJFHSA-N 0 1 383.492 2.700 20 10 GFCDMN CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000129243230 654861314 /nfs/dbraw/zinc/86/13/14/654861314.db2.gz BHPWNDCQKGCQDN-UHFFFAOYSA-N 0 1 398.345 2.531 20 10 GFCDMN CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000273675335 655153467 /nfs/dbraw/zinc/15/34/67/655153467.db2.gz GKHAMSNWIZFOBJ-MRXNPFEDSA-N 0 1 398.345 2.748 20 10 GFCDMN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000753730051 655857657 /nfs/dbraw/zinc/85/76/57/655857657.db2.gz HGSHHRYCVOLGSN-ZBFHGGJFSA-N 0 1 386.945 2.795 20 10 GFCDMN C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000756837048 655905928 /nfs/dbraw/zinc/90/59/28/655905928.db2.gz FJTDOAMBITYCSL-PGUXBMHVSA-N 0 1 393.285 2.733 20 10 GFCDMN CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000775519646 656646800 /nfs/dbraw/zinc/64/68/00/656646800.db2.gz QDOPLFBUCARBPR-AWEZNQCLSA-N 0 1 391.331 2.621 20 10 GFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc2c1OCCO2 ZINC000805135387 659747917 /nfs/dbraw/zinc/74/79/17/659747917.db2.gz SDSKFLJKUYJGIK-UHFFFAOYSA-N 0 1 390.244 2.949 20 10 GFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn2ccc(Br)cc2n1 ZINC000811689369 660014290 /nfs/dbraw/zinc/01/42/90/660014290.db2.gz BTMNWUFAYJLDIH-ZROIWOOFSA-N 0 1 383.205 2.558 20 10 GFCDMN OC[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(Br)c(F)c1 ZINC000813792188 660064840 /nfs/dbraw/zinc/06/48/40/660064840.db2.gz KVWHOUNJYJYTGL-ZDUSSCGKSA-N 0 1 384.201 2.846 20 10 GFCDMN COc1cc(Br)cc([C@H](C)NCc2nc([C@H]3CCCO3)n[nH]2)c1O ZINC000848557278 661664730 /nfs/dbraw/zinc/66/47/30/661664730.db2.gz IMQKHMCUIKOCCY-JOYOIKCWSA-N 0 1 397.273 2.984 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1CCn2nncc2C1 ZINC000848922252 661688901 /nfs/dbraw/zinc/68/89/01/661688901.db2.gz OPZLTFLSXIUIJM-UHFFFAOYSA-N 0 1 388.063 2.525 20 10 GFCDMN NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858134730 662100378 /nfs/dbraw/zinc/10/03/78/662100378.db2.gz UHBZPWHFCMLGSO-GFCCVEGCSA-N 0 1 390.281 2.622 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000868884661 662623580 /nfs/dbraw/zinc/62/35/80/662623580.db2.gz JXQIWIYDTNMSAJ-SNVBAGLBSA-N 0 1 398.172 2.893 20 10 GFCDMN C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc(Br)c1O ZINC000894039884 663438983 /nfs/dbraw/zinc/43/89/83/663438983.db2.gz OINPITAYIAPYRR-BDAKNGLRSA-N 0 1 382.707 2.816 20 10 GFCDMN CCS(=O)(=O)C1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000894573048 663469513 /nfs/dbraw/zinc/46/95/13/663469513.db2.gz OQKYYPAHNXMUDJ-UHFFFAOYSA-N 0 1 380.279 2.693 20 10 GFCDMN COC(=O)[C@@H](Cc1cncs1)NCc1cc(Br)cc(F)c1O ZINC000895475158 663516564 /nfs/dbraw/zinc/51/65/64/663516564.db2.gz SFWLSHKNWFGUDH-GFCCVEGCSA-N 0 1 389.246 2.624 20 10 GFCDMN COc1cc(Br)cc(CN2CCC3(CCNC(=O)O3)CC2)c1O ZINC000897018203 663586773 /nfs/dbraw/zinc/58/67/73/663586773.db2.gz ICXDRXWXTJUQAX-UHFFFAOYSA-N 0 1 385.258 2.628 20 10 GFCDMN O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(Cc3cccc(Cl)c3O)C[C@H]21 ZINC000898455804 663650351 /nfs/dbraw/zinc/65/03/51/663650351.db2.gz ARTHMPBBHYSSFU-TZMCWYRMSA-N 0 1 383.819 2.987 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185079737 552353704 /nfs/dbraw/zinc/35/37/04/552353704.db2.gz JLFCMQSPAUEFPM-UHFFFAOYSA-N 0 1 396.260 2.815 20 10 GFCDMN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(Br)ccc3[O-])C2=O)n(C)n1 ZINC000186082968 552378856 /nfs/dbraw/zinc/37/88/56/552378856.db2.gz QPJAVMMJRQXPHF-SMDDNHRTSA-N 0 1 393.285 2.653 20 10 GFCDMN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(Br)cc3[O-])C2=O)n(C)n1 ZINC000186083636 552378864 /nfs/dbraw/zinc/37/88/64/552378864.db2.gz XGZVLGLIWKIQDN-BXUZGUMPSA-N 0 1 393.285 2.653 20 10 GFCDMN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1cc(Br)ccc1[O-] ZINC000371834079 563289007 /nfs/dbraw/zinc/28/90/07/563289007.db2.gz GXPLZCAOOYKKQV-KDOFPFPSSA-N 0 1 399.329 2.687 20 10 GFCDMN Cc1cc(Br)cc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375369647 563401984 /nfs/dbraw/zinc/40/19/84/563401984.db2.gz YAGZZJVYWBZPNB-GHMZBOCLSA-N 0 1 381.192 2.559 20 10 GFCDMN Cn1cc(-c2nn(C)cc2C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000377102554 563463489 /nfs/dbraw/zinc/46/34/89/563463489.db2.gz FEKHPBJHJFPSID-UHFFFAOYSA-N 0 1 380.235 2.763 20 10 GFCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000291519367 563745863 /nfs/dbraw/zinc/74/58/63/563745863.db2.gz IYDLMSNPMJJVGE-SNVBAGLBSA-N 0 1 380.794 2.945 20 10 GFCDMN O=C(NCc1cccc(Br)c1O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528292718 564776043 /nfs/dbraw/zinc/77/60/43/564776043.db2.gz GKNAJSZQLWRCRE-CQSZACIVSA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528292718 564776047 /nfs/dbraw/zinc/77/60/47/564776047.db2.gz GKNAJSZQLWRCRE-CQSZACIVSA-N 0 1 382.302 2.971 20 10 GFCDMN COc1cccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000832561920 601006739 /nfs/dbraw/zinc/00/67/39/601006739.db2.gz GDMZZBPLNNHBDH-UHFFFAOYSA-N 0 1 392.839 2.970 20 10 GFCDMN Cc1cnc(C[N@@H+](C)[C@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000832986425 604779208 /nfs/dbraw/zinc/77/92/08/604779208.db2.gz WRKWYJKCJFPZJK-DRDHIDPGSA-N 0 1 386.408 2.700 20 10 GFCDMN Cc1cnc(C[N@H+](C)[C@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000832986425 604779211 /nfs/dbraw/zinc/77/92/11/604779211.db2.gz WRKWYJKCJFPZJK-DRDHIDPGSA-N 0 1 386.408 2.700 20 10 GFCDMN COc1ccc(N2CCCN(C(=O)c3cc(Br)[nH]n3)CC2)cc1 ZINC000822920106 660358084 /nfs/dbraw/zinc/35/80/84/660358084.db2.gz VCUBGQYFUXWPTL-UHFFFAOYSA-N 0 1 379.258 2.533 20 10 GFCDMN CN(Cc1cccs1)c1ccc(CN2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000824161787 660386423 /nfs/dbraw/zinc/38/64/23/660386423.db2.gz PXXMFTVIZBSEKI-SFHVURJKSA-N 0 1 379.551 2.637 20 10 GFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824632225 660398253 /nfs/dbraw/zinc/39/82/53/660398253.db2.gz AFTQYAHQPGRLRK-LLVKDONJSA-N 0 1 399.310 2.995 20 10 GFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824632225 660398255 /nfs/dbraw/zinc/39/82/55/660398255.db2.gz AFTQYAHQPGRLRK-LLVKDONJSA-N 0 1 399.310 2.995 20 10 GFCDMN Cc1cc([O-])c(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cc1Cl ZINC000825405988 660425953 /nfs/dbraw/zinc/42/59/53/660425953.db2.gz NEKDDIWSFJHWHR-UHFFFAOYSA-N 0 1 384.885 2.894 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000825526709 660432112 /nfs/dbraw/zinc/43/21/12/660432112.db2.gz VWGLXQQKCXYYHI-UHFFFAOYSA-N 0 1 396.260 2.815 20 10 GFCDMN Cc1cc([O-])c(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000826003488 660447534 /nfs/dbraw/zinc/44/75/34/660447534.db2.gz MYVQVZZWWIFBRS-UHFFFAOYSA-N 0 1 384.885 2.512 20 10 GFCDMN Cc1cc([O-])c(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000826003488 660447536 /nfs/dbraw/zinc/44/75/36/660447536.db2.gz MYVQVZZWWIFBRS-UHFFFAOYSA-N 0 1 384.885 2.512 20 10 GFCDMN CN1CCN(Cc2cc(Br)cc(Br)c2O)CCC1=O ZINC000827358911 660491252 /nfs/dbraw/zinc/49/12/52/660491252.db2.gz GJGDEZODKCQADP-UHFFFAOYSA-N 0 1 392.091 2.581 20 10 GFCDMN Cc1nnc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000830545419 660662835 /nfs/dbraw/zinc/66/28/35/660662835.db2.gz YOIQFHDMLVUEJX-CQSZACIVSA-N 0 1 380.901 2.529 20 10 GFCDMN Cc1cc(C(=O)N2CCN(Cc3cccc(Br)c3O)[C@H](C)C2)[nH]n1 ZINC000835074710 660840217 /nfs/dbraw/zinc/84/02/17/660840217.db2.gz USKDYNCAUFKDKY-GFCCVEGCSA-N 0 1 393.285 2.533 20 10 GFCDMN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000834876989 660836690 /nfs/dbraw/zinc/83/66/90/660836690.db2.gz BZIQIDNXYNTOMY-AAEUAGOBSA-N 0 1 379.320 2.523 20 10 GFCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000023398121 654538083 /nfs/dbraw/zinc/53/80/83/654538083.db2.gz UNONPTQYYXEKRH-UHFFFAOYSA-N 0 1 378.834 2.651 20 10 GFCDMN O=C(CN1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCCC1 ZINC000129303756 654862059 /nfs/dbraw/zinc/86/20/59/654862059.db2.gz YPEYVFMBJJSKLS-UHFFFAOYSA-N 0 1 386.323 2.829 20 10 GFCDMN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277477268 655321820 /nfs/dbraw/zinc/32/18/20/655321820.db2.gz PKFZLBODPAVHGU-ZDUSSCGKSA-N 0 1 384.318 2.932 20 10 GFCDMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277477268 655321822 /nfs/dbraw/zinc/32/18/22/655321822.db2.gz PKFZLBODPAVHGU-ZDUSSCGKSA-N 0 1 384.318 2.932 20 10 GFCDMN CC[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000194187921 655414668 /nfs/dbraw/zinc/41/46/68/655414668.db2.gz VKYWLDSNHMMZIS-AWEZNQCLSA-N 0 1 393.347 2.867 20 10 GFCDMN CNC(=O)COc1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000725846586 655527874 /nfs/dbraw/zinc/52/78/74/655527874.db2.gz IQLONNPUJMCTCE-UHFFFAOYSA-N 0 1 379.254 2.569 20 10 GFCDMN C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000756481490 655900478 /nfs/dbraw/zinc/90/04/78/655900478.db2.gz ALZKMSZPENBNQO-SNVBAGLBSA-N 0 1 379.320 2.523 20 10 GFCDMN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000781908960 657088030 /nfs/dbraw/zinc/08/80/30/657088030.db2.gz BTJLALWVUZLHRR-UHFFFAOYSA-N 0 1 386.208 2.836 20 10 GFCDMN CCc1[nH]nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1Br ZINC000789870024 657894287 /nfs/dbraw/zinc/89/42/87/657894287.db2.gz XQXMKIJBTNJQCC-UHFFFAOYSA-N 0 1 393.285 2.706 20 10 GFCDMN CS(=O)(=O)N1CCN(Cc2c(O)ccc(Cl)c2F)Cc2ccccc21 ZINC000792172186 658244990 /nfs/dbraw/zinc/24/49/90/658244990.db2.gz CCYMJULOEOFZLA-UHFFFAOYSA-N 0 1 384.860 2.967 20 10 GFCDMN COC(=O)[C@@H](NCc1cccc(Br)c1O)c1ccc(OC)c(O)c1 ZINC000792180677 658246127 /nfs/dbraw/zinc/24/61/27/658246127.db2.gz NMTLKPRRUSDEBS-HNNXBMFYSA-N 0 1 396.237 2.873 20 10 GFCDMN CS(=O)(=O)[C@H]1CCN(Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000799949946 659249582 /nfs/dbraw/zinc/24/95/82/659249582.db2.gz ZOXQXHOXBNGLAJ-ZDUSSCGKSA-N 0 1 384.295 2.927 20 10 GFCDMN COc1cccc(CNC(=O)c2cc(Br)cc3nc[nH]c32)c1O ZINC000800519244 659313954 /nfs/dbraw/zinc/31/39/54/659313954.db2.gz OBLRDNPHLCYWBH-UHFFFAOYSA-N 0 1 376.210 2.970 20 10 GFCDMN Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C(N)=O ZINC000805134711 659748136 /nfs/dbraw/zinc/74/81/36/659748136.db2.gz GVSGSEPXLRSWDG-UHFFFAOYSA-N 0 1 389.260 2.585 20 10 GFCDMN CCCc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n(C)n1 ZINC000807512969 659857501 /nfs/dbraw/zinc/85/75/01/659857501.db2.gz DTUKKCBPTIEBON-UHFFFAOYSA-N 0 1 385.251 2.640 20 10 GFCDMN CNS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807839075 659866966 /nfs/dbraw/zinc/86/69/66/659866966.db2.gz HDIQJMGFYZHMCF-UHFFFAOYSA-N 0 1 389.260 2.537 20 10 GFCDMN CC(C)(C)OC(=O)NCCOCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840568 659867132 /nfs/dbraw/zinc/86/71/32/659867132.db2.gz DVVSIOISRMOIBZ-UHFFFAOYSA-N 0 1 393.267 2.857 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(N2CCOCC2)ccn1 ZINC000813685890 660060497 /nfs/dbraw/zinc/06/04/97/660060497.db2.gz UWTNUHMUPYDFBR-UHFFFAOYSA-N 0 1 382.247 2.861 20 10 GFCDMN CC(C)O[C@@]1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCOC1 ZINC000851789393 661832192 /nfs/dbraw/zinc/83/21/92/661832192.db2.gz OTEIMFPFUVNFJI-HNNXBMFYSA-N 0 1 398.308 2.703 20 10 GFCDMN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858163155 662102383 /nfs/dbraw/zinc/10/23/83/662102383.db2.gz YMGNWNHLMZWRKF-CYBMUJFWSA-N 0 1 382.302 2.925 20 10 GFCDMN CS(=O)(=O)CC1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858171656 662102915 /nfs/dbraw/zinc/10/29/15/662102915.db2.gz ZRBUMTLBKFIUCM-UHFFFAOYSA-N 0 1 376.316 2.848 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862253533 662278265 /nfs/dbraw/zinc/27/82/65/662278265.db2.gz OWIBDXJQXBOQAV-LRDDRELGSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862253533 662278267 /nfs/dbraw/zinc/27/82/67/662278267.db2.gz OWIBDXJQXBOQAV-LRDDRELGSA-N 0 1 380.286 2.834 20 10 GFCDMN CC[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H](C)S1(=O)=O ZINC000894760440 663480145 /nfs/dbraw/zinc/48/01/45/663480145.db2.gz KPOBKCZTLCNLOA-SKDRFNHKSA-N 0 1 380.279 2.691 20 10 GFCDMN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000897984960 663629062 /nfs/dbraw/zinc/62/90/62/663629062.db2.gz IDCMDNASLNOUGJ-LBPRGKRZSA-N 0 1 380.242 2.763 20 10 GFCDMN O=C(c1ccncc1)N1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000238045229 553085502 /nfs/dbraw/zinc/08/55/02/553085502.db2.gz OKKMGWYGSNDJEY-UHFFFAOYSA-N 0 1 390.281 2.944 20 10 GFCDMN COC(=O)CC[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CCOCC1 ZINC000831155365 600719420 /nfs/dbraw/zinc/71/94/20/600719420.db2.gz KUGABAPCUKSTMG-UHFFFAOYSA-N 0 1 387.432 2.788 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000822948922 660358806 /nfs/dbraw/zinc/35/88/06/660358806.db2.gz BRPYZZIMYBTKFL-IUCAKERBSA-N 0 1 385.169 2.630 20 10 GFCDMN COc1cc(Br)cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124014 660411682 /nfs/dbraw/zinc/41/16/82/660411682.db2.gz GKKNKSKSGOTRRH-ISVAXAHUSA-N 0 1 384.192 2.908 20 10 GFCDMN O=C1[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCCN1CC(F)(F)F ZINC000825375617 660423395 /nfs/dbraw/zinc/42/33/95/660423395.db2.gz OTCIPVJHGKZEGV-LLVKDONJSA-N 0 1 381.192 2.798 20 10 GFCDMN CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000834876992 660836587 /nfs/dbraw/zinc/83/65/87/660836587.db2.gz BZIQIDNXYNTOMY-WCQYABFASA-N 0 1 379.320 2.523 20 10 GFCDMN C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCN1 ZINC000269187573 655001216 /nfs/dbraw/zinc/00/12/16/655001216.db2.gz GHGNNEVJYBECFC-XTCQQWIJSA-N 0 1 395.575 2.550 20 10 GFCDMN C[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646902 655020235 /nfs/dbraw/zinc/02/02/35/655020235.db2.gz PNVDNEZOXGOKCO-KGLIPLIRSA-N 0 1 376.316 2.942 20 10 GFCDMN C[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646903 655020289 /nfs/dbraw/zinc/02/02/89/655020289.db2.gz PNVDNEZOXGOKCO-KBPBESRZSA-N 0 1 376.316 2.942 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1CCn2cnnc2C1 ZINC000271700088 655091840 /nfs/dbraw/zinc/09/18/40/655091840.db2.gz CJOGEYRALINRTK-UHFFFAOYSA-N 0 1 388.063 2.525 20 10 GFCDMN Cn1cc(CNCc2ccc(Br)cc2O)c(Br)n1 ZINC000720670547 655524667 /nfs/dbraw/zinc/52/46/67/655524667.db2.gz WFSZXKPSHWLHEY-UHFFFAOYSA-N 0 1 375.064 2.941 20 10 GFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000753065839 655849844 /nfs/dbraw/zinc/84/98/44/655849844.db2.gz LHGOJBLBWOYDEA-UHFFFAOYSA-N 0 1 397.503 2.859 20 10 GFCDMN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756459466 655900223 /nfs/dbraw/zinc/90/02/23/655900223.db2.gz ONXDBHBPTZKZMY-PWSUYJOCSA-N 0 1 377.710 2.915 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769008478 656263097 /nfs/dbraw/zinc/26/30/97/656263097.db2.gz YPGLMQJTQLEKNQ-TZMCWYRMSA-N 0 1 385.302 2.518 20 10 GFCDMN COc1cc(Br)cc(CN2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000769527111 656279534 /nfs/dbraw/zinc/27/95/34/656279534.db2.gz ONSQZPOOGBWVRT-OAHLLOKOSA-N 0 1 386.286 2.933 20 10 GFCDMN O=C(c1cc(Br)[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788301693 657693756 /nfs/dbraw/zinc/69/37/56/657693756.db2.gz IHEBFSZAIIOXOJ-LBPRGKRZSA-N 0 1 380.242 2.699 20 10 GFCDMN NC(=O)c1cccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805052464 659727895 /nfs/dbraw/zinc/72/78/95/659727895.db2.gz KTJFWGISLKGUCS-UHFFFAOYSA-N 0 1 382.247 2.840 20 10 GFCDMN CCOc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000805134842 659748176 /nfs/dbraw/zinc/74/81/76/659748176.db2.gz ADCXMUJPOMUVHI-UHFFFAOYSA-N 0 1 377.249 2.971 20 10 GFCDMN COC(=O)N1CCC(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805832577 659808418 /nfs/dbraw/zinc/80/84/18/659808418.db2.gz IMEVDJDPBJMAQS-UHFFFAOYSA-N 0 1 390.267 2.977 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446195 661592806 /nfs/dbraw/zinc/59/28/06/661592806.db2.gz LWLVBMMNKDNBEP-GJZGRUSLSA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847446195 661592807 /nfs/dbraw/zinc/59/28/07/661592807.db2.gz LWLVBMMNKDNBEP-GJZGRUSLSA-N 0 1 382.302 2.971 20 10 GFCDMN Cc1cc(C(=O)N2CC[N@H+]3CC[C@H]2C3)c(C)n1-c1ccc(Br)cn1 ZINC000854732464 661951999 /nfs/dbraw/zinc/95/19/99/661951999.db2.gz XAKUXALVWCWJSW-HNNXBMFYSA-N 0 1 389.297 2.782 20 10 GFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000856592889 662037302 /nfs/dbraw/zinc/03/73/02/662037302.db2.gz MXSRJAGPCLFGRN-QGZVFWFLSA-N 0 1 396.285 2.670 20 10 GFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858305550 662107583 /nfs/dbraw/zinc/10/75/83/662107583.db2.gz DUHOWYKFNWJXHN-OAHLLOKOSA-N 0 1 392.297 2.540 20 10 GFCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000858498568 662113672 /nfs/dbraw/zinc/11/36/72/662113672.db2.gz RDHVZPHEYQCRCM-LERXQTSPSA-N 0 1 391.331 2.666 20 10 GFCDMN Cn1nccc1[C@H](O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862425505 662287367 /nfs/dbraw/zinc/28/73/67/662287367.db2.gz YOEBYDWUBGVSBP-QGZVFWFLSA-N 0 1 380.286 2.834 20 10 GFCDMN CN1CC[C@@H]1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000928567055 664735246 /nfs/dbraw/zinc/73/52/46/664735246.db2.gz MEJMVUXSHQBEFU-HLVNSREUSA-N 0 1 395.575 2.550 20 10 GFCDMN C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000186025691 552377042 /nfs/dbraw/zinc/37/70/42/552377042.db2.gz JVBCJKUUXDFEIF-JTQLQIEISA-N 0 1 382.860 2.961 20 10 GFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000738400394 598628567 /nfs/dbraw/zinc/62/85/67/598628567.db2.gz FJLSIGVGHFORKZ-HNNXBMFYSA-N 0 1 385.859 2.697 20 10 GFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000738400394 598628569 /nfs/dbraw/zinc/62/85/69/598628569.db2.gz FJLSIGVGHFORKZ-HNNXBMFYSA-N 0 1 385.859 2.697 20 10 GFCDMN O=C([O-])c1cccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000833106629 601603345 /nfs/dbraw/zinc/60/33/45/601603345.db2.gz LOELQBJSEANEQE-GOSISDBHSA-N 0 1 384.432 2.710 20 10 GFCDMN O=C([O-])c1cccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000833106629 601603347 /nfs/dbraw/zinc/60/33/47/601603347.db2.gz LOELQBJSEANEQE-GOSISDBHSA-N 0 1 384.432 2.710 20 10 GFCDMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826800640 604914517 /nfs/dbraw/zinc/91/45/17/604914517.db2.gz PEZOIYHXTIKAMV-CVEARBPZSA-N 0 1 397.903 2.809 20 10 GFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824530400 660396082 /nfs/dbraw/zinc/39/60/82/660396082.db2.gz ZXXHUGFATMUMSM-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824530400 660396083 /nfs/dbraw/zinc/39/60/83/660396083.db2.gz ZXXHUGFATMUMSM-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926092 660405338 /nfs/dbraw/zinc/40/53/38/660405338.db2.gz BJPZRCDLRALJKA-CZUORRHYSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926092 660405339 /nfs/dbraw/zinc/40/53/39/660405339.db2.gz BJPZRCDLRALJKA-CZUORRHYSA-N 0 1 380.286 2.834 20 10 GFCDMN CN1CCN(c2ccc(NCc3ccc(Br)cc3O)nc2)CC1 ZINC000825132196 660412163 /nfs/dbraw/zinc/41/21/63/660412163.db2.gz XZYRRSKRBRIHGJ-UHFFFAOYSA-N 0 1 377.286 2.914 20 10 GFCDMN O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1c(F)cccc1F ZINC000056101961 654788495 /nfs/dbraw/zinc/78/84/95/654788495.db2.gz SLIHWFJVDUIXBU-UHFFFAOYSA-N 0 1 384.473 2.997 20 10 GFCDMN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000273443790 655143477 /nfs/dbraw/zinc/14/34/77/655143477.db2.gz ZGKPEBSYIBGDOS-NSHDSACASA-N 0 1 399.310 2.914 20 10 GFCDMN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCN1CCC1 ZINC000752295845 655842216 /nfs/dbraw/zinc/84/22/16/655842216.db2.gz XXIARXVNTRQFFH-WYMLVPIESA-N 0 1 395.575 2.551 20 10 GFCDMN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000756840730 655905923 /nfs/dbraw/zinc/90/59/23/655905923.db2.gz YSPOVCBIHCSFIF-JRPNMDOOSA-N 0 1 393.285 2.733 20 10 GFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000766049024 656158575 /nfs/dbraw/zinc/15/85/75/656158575.db2.gz YUHIMVYNKBOZGV-UHFFFAOYSA-N 0 1 380.809 2.544 20 10 GFCDMN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Br)ccc3[O-])C2)n(C)n1 ZINC000767737555 656218080 /nfs/dbraw/zinc/21/80/80/656218080.db2.gz DFTVBSMUGKMEJF-HNNXBMFYSA-N 0 1 379.302 2.955 20 10 GFCDMN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1c(O)cccc1Cl ZINC000769719732 656287790 /nfs/dbraw/zinc/28/77/90/656287790.db2.gz LQLRRFCXTALILL-UHFFFAOYSA-N 0 1 380.853 2.533 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781897176 657086809 /nfs/dbraw/zinc/08/68/09/657086809.db2.gz DEALSGCCYTYUES-ZIAGYGMSSA-N 0 1 399.329 2.826 20 10 GFCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783741317 657257812 /nfs/dbraw/zinc/25/78/12/657257812.db2.gz LOXIYPYCKZMCST-RNCFNFMXSA-N 0 1 377.076 2.731 20 10 GFCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783741317 657257818 /nfs/dbraw/zinc/25/78/18/657257818.db2.gz LOXIYPYCKZMCST-RNCFNFMXSA-N 0 1 377.076 2.731 20 10 GFCDMN CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cccc(Cl)c1O)C2 ZINC000793610478 658415558 /nfs/dbraw/zinc/41/55/58/658415558.db2.gz DDLTYACOSMEIOJ-UHFFFAOYSA-N 0 1 380.897 2.854 20 10 GFCDMN COc1ccc(O)c(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000795854686 658860063 /nfs/dbraw/zinc/86/00/63/658860063.db2.gz UWJNSIRDRFZGHV-UHFFFAOYSA-N 0 1 390.776 2.580 20 10 GFCDMN Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805136012 659748493 /nfs/dbraw/zinc/74/84/93/659748493.db2.gz YZUGBTVFUORGAP-UHFFFAOYSA-N 0 1 384.672 2.873 20 10 GFCDMN CC(C)(C)n1nccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513228 659857542 /nfs/dbraw/zinc/85/75/42/659857542.db2.gz VCJWLYCDXWTJEV-UHFFFAOYSA-N 0 1 385.251 2.905 20 10 GFCDMN COc1ccc(C(=O)NCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807837475 659866980 /nfs/dbraw/zinc/86/69/80/659866980.db2.gz RJYNEOSTOPSZMN-UHFFFAOYSA-N 0 1 383.231 2.754 20 10 GFCDMN NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000808090324 659876297 /nfs/dbraw/zinc/87/62/97/659876297.db2.gz YUPOIDNSHGPZJT-UHFFFAOYSA-N 0 1 392.220 2.867 20 10 GFCDMN CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000813684020 660060376 /nfs/dbraw/zinc/06/03/76/660060376.db2.gz JBZWDWJAHVPWTC-GFCCVEGCSA-N 0 1 389.235 2.802 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862232214 662275048 /nfs/dbraw/zinc/27/50/48/662275048.db2.gz UFCKETWJMSJXSB-OLZOCXBDSA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862232214 662275050 /nfs/dbraw/zinc/27/50/50/662275050.db2.gz UFCKETWJMSJXSB-OLZOCXBDSA-N 0 1 385.302 2.518 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)c3ccoc3Br)cc2)CC1 ZINC000881854196 663006140 /nfs/dbraw/zinc/00/61/40/663006140.db2.gz WUVMGYQAWFAXNU-UHFFFAOYSA-N 0 1 378.270 2.724 20 10 GFCDMN [O-]c1cc(Br)cnc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000892669188 663380571 /nfs/dbraw/zinc/38/05/71/663380571.db2.gz WLTRLHVPTZYHDO-UHFFFAOYSA-N 0 1 378.270 2.676 20 10 GFCDMN [O-]c1c(Br)cc(Cl)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000895343379 663509499 /nfs/dbraw/zinc/50/94/99/663509499.db2.gz KDRVHFIUDRLHTF-CQSZACIVSA-N 0 1 389.721 2.839 20 10 GFCDMN C[C@]1(CO)C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@@]1(C)CO ZINC000895401800 663511942 /nfs/dbraw/zinc/51/19/42/663511942.db2.gz CDAORBNJTPYFAR-GASCZTMLSA-N 0 1 378.694 2.621 20 10 GFCDMN C[C@]12CN(Cc3cc(Br)cc(F)c3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000895474789 663516484 /nfs/dbraw/zinc/51/64/84/663516484.db2.gz YKJYJZJMJILDFL-GASCZTMLSA-N 0 1 392.290 2.550 20 10 GFCDMN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(Br)ccc3[O-])C2)c1Cl ZINC000898365049 663644592 /nfs/dbraw/zinc/64/45/92/663644592.db2.gz UOLJVLLIWLAZCP-LLVKDONJSA-N 0 1 399.676 2.672 20 10 GFCDMN CC[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(Br)ccc1[O-] ZINC000903432142 663784566 /nfs/dbraw/zinc/78/45/66/663784566.db2.gz IFNCROHQZMPRAC-CYBMUJFWSA-N 0 1 382.258 2.548 20 10 GFCDMN CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000156612727 551525764 /nfs/dbraw/zinc/52/57/64/551525764.db2.gz UWHOVWHMEDSBON-GJZGRUSLSA-N 0 1 393.285 2.734 20 10 GFCDMN O=C1CCCC(=O)N1C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000373610597 563343620 /nfs/dbraw/zinc/34/36/20/563343620.db2.gz RSMWVQCZZBPRFY-UHFFFAOYSA-N 0 1 381.270 2.658 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000377087886 563462541 /nfs/dbraw/zinc/46/25/41/563462541.db2.gz DOVGXTRBYHWRHD-WPRPVWTQSA-N 0 1 385.169 2.772 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000377087884 563462854 /nfs/dbraw/zinc/46/28/54/563462854.db2.gz DOVGXTRBYHWRHD-SCZZXKLOSA-N 0 1 385.169 2.772 20 10 GFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738400800 598275632 /nfs/dbraw/zinc/27/56/32/598275632.db2.gz KLCVJRJCRVMRIG-UHFFFAOYSA-N 0 1 384.871 2.984 20 10 GFCDMN Oc1ccccc1CN(Cc1ccc(-c2nn[nH]n2)cc1F)C[C@@H]1CCCO1 ZINC000738400027 598619125 /nfs/dbraw/zinc/61/91/25/598619125.db2.gz AOTQOYWCKAWZKL-KRWDZBQOSA-N 0 1 383.427 2.893 20 10 GFCDMN CS(=O)(=O)Nc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000833737595 604637517 /nfs/dbraw/zinc/63/75/17/604637517.db2.gz HHXULKMROWPIFW-UHFFFAOYSA-N 0 1 398.868 2.504 20 10 GFCDMN CN(CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)[O-] ZINC000830759324 604746522 /nfs/dbraw/zinc/74/65/22/604746522.db2.gz SUBMCFZGXLNKQG-OAHLLOKOSA-N 0 1 383.876 2.516 20 10 GFCDMN CCCCN(Cc1ccc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824515328 660395510 /nfs/dbraw/zinc/39/55/10/660395510.db2.gz MMMLBPDANJSABV-AWEZNQCLSA-N 0 1 376.316 2.944 20 10 GFCDMN CCCC[N@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000824515328 660395512 /nfs/dbraw/zinc/39/55/12/660395512.db2.gz MMMLBPDANJSABV-AWEZNQCLSA-N 0 1 376.316 2.944 20 10 GFCDMN CCCC[N@@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000824515328 660395514 /nfs/dbraw/zinc/39/55/14/660395514.db2.gz MMMLBPDANJSABV-AWEZNQCLSA-N 0 1 376.316 2.944 20 10 GFCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@@H]1COCCO1 ZINC000827140154 660480632 /nfs/dbraw/zinc/48/06/32/660480632.db2.gz ILEORTVWCWYASF-LLVKDONJSA-N 0 1 395.091 2.764 20 10 GFCDMN Cn1nccc1[C@H](CO)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000839184820 661075670 /nfs/dbraw/zinc/07/56/70/661075670.db2.gz YRYMBZDBRWDGRE-INIZCTEOSA-N 0 1 393.329 2.996 20 10 GFCDMN O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1cnc[nH]1 ZINC000754294147 655866112 /nfs/dbraw/zinc/86/61/12/655866112.db2.gz LWQYXXLKWXIDNL-QPEQYQDCSA-N 0 1 392.531 2.769 20 10 GFCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000756840734 655905941 /nfs/dbraw/zinc/90/59/41/655905941.db2.gz YSPOVCBIHCSFIF-ZETOZRRWSA-N 0 1 393.285 2.733 20 10 GFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775650045 656660370 /nfs/dbraw/zinc/66/03/70/656660370.db2.gz OJWJJQGDQWTFFB-MRVPVSSYSA-N 0 1 393.075 2.912 20 10 GFCDMN CC(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCOCC1 ZINC000804902912 659692620 /nfs/dbraw/zinc/69/26/20/659692620.db2.gz WZCREZMIGDONHV-HNNXBMFYSA-N 0 1 390.311 2.855 20 10 GFCDMN O=c1[nH]c2ccc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3O)cc2[nH]1 ZINC000805135905 659747468 /nfs/dbraw/zinc/74/74/68/659747468.db2.gz ZOYHJZURZVNPRG-UHFFFAOYSA-N 0 1 388.232 2.759 20 10 GFCDMN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134629 659747889 /nfs/dbraw/zinc/74/78/89/659747889.db2.gz DYBNFOWKJXRULT-WCQYABFASA-N 0 1 396.292 2.850 20 10 GFCDMN C[C@H]1C[N@@H+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000807179156 659849313 /nfs/dbraw/zinc/84/93/13/659849313.db2.gz AHGZXTVJQCPIEI-LBPRGKRZSA-N 0 1 390.311 2.999 20 10 GFCDMN O=C(Cc1ccc(-n2cnnn2)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837483 659866880 /nfs/dbraw/zinc/86/68/80/659866880.db2.gz RPDMPEQTBYEQMI-UHFFFAOYSA-N 0 1 378.219 2.534 20 10 GFCDMN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cn1C ZINC000808114455 659877672 /nfs/dbraw/zinc/87/76/72/659877672.db2.gz ZCCWITKRCFVPCD-UHFFFAOYSA-N 0 1 376.793 2.501 20 10 GFCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809696722 659936470 /nfs/dbraw/zinc/93/64/70/659936470.db2.gz PJZDFFWOPHLCKO-ZDUSSCGKSA-N 0 1 382.722 2.881 20 10 GFCDMN CCC[N@@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000814177585 660073941 /nfs/dbraw/zinc/07/39/41/660073941.db2.gz HRHSRIOTLBJJFP-UHFFFAOYSA-N 0 1 380.080 2.615 20 10 GFCDMN O=S(=O)(c1ccccc1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816481503 660158600 /nfs/dbraw/zinc/15/86/00/660158600.db2.gz YUUXOIXXWMPGMW-UHFFFAOYSA-N 0 1 384.860 2.691 20 10 GFCDMN C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCN1 ZINC000843345229 661378386 /nfs/dbraw/zinc/37/83/86/661378386.db2.gz GHGNNEVJYBECFC-LQELWAHVSA-N 0 1 395.575 2.550 20 10 GFCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000843432201 661381201 /nfs/dbraw/zinc/38/12/01/661381201.db2.gz JLJNFQXVSGGZLL-AWEZNQCLSA-N 0 1 395.219 2.964 20 10 GFCDMN COc1cc(Br)cc([C@@H](C)NCc2nc([C@H]3CCCO3)n[nH]2)c1O ZINC000848557250 661664691 /nfs/dbraw/zinc/66/46/91/661664691.db2.gz IMQKHMCUIKOCCY-BXKDBHETSA-N 0 1 397.273 2.984 20 10 GFCDMN CN(C)Cc1ccnc(NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000880601441 662963804 /nfs/dbraw/zinc/96/38/04/662963804.db2.gz WPPDOQBYHHRVOU-UHFFFAOYSA-N 0 1 379.258 2.933 20 10 GFCDMN O=S1(=O)CCN(Cc2cc(Br)cc(F)c2O)[C@@H]2CCCC[C@H]21 ZINC000894025267 663438361 /nfs/dbraw/zinc/43/83/61/663438361.db2.gz UVPKXMUMZRDZPW-ZIAGYGMSSA-N 0 1 392.290 2.835 20 10 GFCDMN C[C@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)cc(Br)c1O ZINC000894566246 663469306 /nfs/dbraw/zinc/46/93/06/663469306.db2.gz KYSYHRXPAHFIJP-VIFPVBQESA-N 0 1 382.707 2.817 20 10 GFCDMN COCc1ncc2c(n1)CCN(Cc1cc(Br)cc(F)c1O)C2 ZINC000895416785 663512982 /nfs/dbraw/zinc/51/29/82/663512982.db2.gz DEIBCZYMIYKWEB-UHFFFAOYSA-N 0 1 382.233 2.789 20 10 GFCDMN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000916106461 664450482 /nfs/dbraw/zinc/45/04/82/664450482.db2.gz KIHALRBWSPRFSQ-UHFFFAOYSA-N 0 1 386.223 2.742 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCn1cc(Br)cn1 ZINC000386116663 677407189 /nfs/dbraw/zinc/40/71/89/677407189.db2.gz MCOLQWINKYDFDZ-UHFFFAOYSA-N 0 1 375.064 2.904 20 10 GFCDMN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185006691 552350822 /nfs/dbraw/zinc/35/08/22/552350822.db2.gz KUXQCUNIHPYTFC-ZDUSSCGKSA-N 0 1 398.345 2.796 20 10 GFCDMN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1cc(Br)ccc1[O-] ZINC000371834080 563288729 /nfs/dbraw/zinc/28/87/29/563288729.db2.gz GXPLZCAOOYKKQV-KSSFIOAISA-N 0 1 399.329 2.687 20 10 GFCDMN O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCC[C@H]1CF ZINC000294194820 563833576 /nfs/dbraw/zinc/83/35/76/563833576.db2.gz UPCKWWWRBSQYMB-LBPRGKRZSA-N 0 1 384.454 2.829 20 10 GFCDMN O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000638536431 565200945 /nfs/dbraw/zinc/20/09/45/565200945.db2.gz MGNACQGWOXYGBW-NSHDSACASA-N 0 1 387.281 2.941 20 10 GFCDMN Oc1cc2c(cc1CN1CCN(c3ccc(-c4nn[nH]n4)cc3F)CC1)CCC2 ZINC000738396461 598235313 /nfs/dbraw/zinc/23/53/13/598235313.db2.gz FZGXDNPPRVGCMO-UHFFFAOYSA-N 0 1 394.454 2.522 20 10 GFCDMN COc1ccc(OC)c([C@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000738047480 600314822 /nfs/dbraw/zinc/31/48/22/600314822.db2.gz FBTDQCHMZWHSOF-QGZVFWFLSA-N 0 1 395.839 2.683 20 10 GFCDMN CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823489921 660373497 /nfs/dbraw/zinc/37/34/97/660373497.db2.gz PVSAGBCMHYSZIA-GOSISDBHSA-N 0 1 379.551 2.508 20 10 GFCDMN O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCCN1CC(F)(F)F ZINC000825375618 660423539 /nfs/dbraw/zinc/42/35/39/660423539.db2.gz OTCIPVJHGKZEGV-NSHDSACASA-N 0 1 381.192 2.798 20 10 GFCDMN Cc1cc(C(=O)NCCc2nc[nH]n2)c(C)n1-c1ccccc1Br ZINC000132091295 654926917 /nfs/dbraw/zinc/92/69/17/654926917.db2.gz TUCZENCVCOVIGJ-UHFFFAOYSA-N 0 1 388.269 2.947 20 10 GFCDMN C[C@@H](CS(C)(=O)=O)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838955493 661064821 /nfs/dbraw/zinc/06/48/21/661064821.db2.gz SHUBUIBGFPOZRB-ZDUSSCGKSA-N 0 1 389.359 2.962 20 10 GFCDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])[C@@H]1COCC12OCCO2 ZINC000839176803 661074570 /nfs/dbraw/zinc/07/45/70/661074570.db2.gz OPXOUMWCSHSKCM-HNNXBMFYSA-N 0 1 386.286 2.660 20 10 GFCDMN COc1ccc(O)c(CNC(=O)c2n[nH]c3ccc(Br)cc32)c1 ZINC000172043072 655155945 /nfs/dbraw/zinc/15/59/45/655155945.db2.gz AUCIVSDVZWQRLI-UHFFFAOYSA-N 0 1 376.210 2.970 20 10 GFCDMN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1[O-] ZINC000756528399 655901319 /nfs/dbraw/zinc/90/13/19/655901319.db2.gz YGVBRAFGMOMSSM-XJKSGUPXSA-N 0 1 398.345 2.748 20 10 GFCDMN COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Br)c1O ZINC000761012397 655996438 /nfs/dbraw/zinc/99/64/38/655996438.db2.gz RJXFHCVNCDWFFP-FMIVXFBMSA-N 0 1 389.205 2.625 20 10 GFCDMN Cn1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCO4)n2)cn1 ZINC000771606526 656357008 /nfs/dbraw/zinc/35/70/08/656357008.db2.gz JFNMRZKNIINMAR-UHFFFAOYSA-N 0 1 376.463 2.669 20 10 GFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781897172 657086695 /nfs/dbraw/zinc/08/66/95/657086695.db2.gz DEALSGCCYTYUES-KGLIPLIRSA-N 0 1 399.329 2.826 20 10 GFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000790415748 657972279 /nfs/dbraw/zinc/97/22/79/657972279.db2.gz KQZUUVYDIYWUNN-UHFFFAOYSA-N 0 1 389.882 2.812 20 10 GFCDMN O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000807108522 659848397 /nfs/dbraw/zinc/84/83/97/659848397.db2.gz XPYBFGKMWWUYTI-HNNXBMFYSA-N 0 1 383.279 2.676 20 10 GFCDMN O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(Cl)c2nonc21 ZINC000814378884 660078361 /nfs/dbraw/zinc/07/83/61/660078361.db2.gz WVQAHRNJMYDOEB-UHFFFAOYSA-N 0 1 375.797 2.863 20 10 GFCDMN COc1cc(Br)cc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)c1O ZINC000848919353 661688673 /nfs/dbraw/zinc/68/86/73/661688673.db2.gz WHOBQCXJWOUQKE-MRXNPFEDSA-N 0 1 397.313 2.900 20 10 GFCDMN O=C1[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCCN1CC(F)(F)F ZINC000858153221 662101639 /nfs/dbraw/zinc/10/16/39/662101639.db2.gz JINRCFUQGFJGHO-NSHDSACASA-N 0 1 381.192 2.798 20 10 GFCDMN CCCOc1ccc(CNC[C@H](O)CS(=O)(=O)c2cccs2)cc1C ZINC000873096679 662799402 /nfs/dbraw/zinc/79/94/02/662799402.db2.gz USQACEOFJMOFDO-INIZCTEOSA-N 0 1 383.535 2.770 20 10 GFCDMN COc1cc(Br)cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895843420 663530066 /nfs/dbraw/zinc/53/00/66/663530066.db2.gz HWYNIDNCFAXXJM-CYBMUJFWSA-N 0 1 384.192 2.910 20 10 GFCDMN C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(Br)cc1[O-] ZINC000903373729 663783416 /nfs/dbraw/zinc/78/34/16/663783416.db2.gz XXONMEDJYFEAOL-LBPRGKRZSA-N 0 1 386.286 2.854 20 10 GFCDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1Br ZINC000919695303 664516652 /nfs/dbraw/zinc/51/66/52/664516652.db2.gz YWRPSKAKAUHOLR-UHFFFAOYSA-N 0 1 393.285 2.589 20 10 GFCDMN Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000935990774 665002888 /nfs/dbraw/zinc/00/28/88/665002888.db2.gz ANDSQRAVSARTSU-AWEZNQCLSA-N 0 1 383.235 2.550 20 10 GFCDMN CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Br)ccc1[O-] ZINC000156721743 551527548 /nfs/dbraw/zinc/52/75/48/551527548.db2.gz GYHCQTPMAQWAGA-GXTWGEPZSA-N 0 1 395.301 2.948 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000180647441 552232593 /nfs/dbraw/zinc/23/25/93/552232593.db2.gz QJZMBNVEWDAXMR-LRDDRELGSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000180647441 552232594 /nfs/dbraw/zinc/23/25/94/552232594.db2.gz QJZMBNVEWDAXMR-LRDDRELGSA-N 0 1 380.286 2.834 20 10 GFCDMN C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000186082473 552378760 /nfs/dbraw/zinc/37/87/60/552378760.db2.gz HVVXCNCOVFLSHS-FZMZJTMJSA-N 0 1 393.285 2.734 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC000377087950 563462680 /nfs/dbraw/zinc/46/26/80/563462680.db2.gz FLZKUYBRNNSJQC-SECBINFHSA-N 0 1 386.260 2.825 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000363325249 563719690 /nfs/dbraw/zinc/71/96/90/563719690.db2.gz ANXRIQLKIGUSTQ-AWEZNQCLSA-N 0 1 393.285 2.516 20 10 GFCDMN Oc1ccccc1CN(Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CCCO1 ZINC000738400029 598619260 /nfs/dbraw/zinc/61/92/60/598619260.db2.gz AOTQOYWCKAWZKL-QGZVFWFLSA-N 0 1 383.427 2.893 20 10 GFCDMN CN(C)c1cc2c(nn1)CC[N@@H+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000737373684 600706326 /nfs/dbraw/zinc/70/63/26/600706326.db2.gz FLXYGDYOLPGJAA-UHFFFAOYSA-N 0 1 378.432 2.658 20 10 GFCDMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1C(=O)[O-] ZINC000738229156 600935316 /nfs/dbraw/zinc/93/53/16/600935316.db2.gz IRXKKKJIWLCVSI-MRXNPFEDSA-N 0 1 399.491 2.870 20 10 GFCDMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1C(=O)[O-] ZINC000738229156 600935318 /nfs/dbraw/zinc/93/53/18/600935318.db2.gz IRXKKKJIWLCVSI-MRXNPFEDSA-N 0 1 399.491 2.870 20 10 GFCDMN COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825064198 660409178 /nfs/dbraw/zinc/40/91/78/660409178.db2.gz KLQIOZOWDLQOLO-MRXNPFEDSA-N 0 1 382.254 2.995 20 10 GFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825563317 660433431 /nfs/dbraw/zinc/43/34/31/660433431.db2.gz VKPOAHQCMPFGLX-JTQLQIEISA-N 0 1 381.192 2.655 20 10 GFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825563317 660433434 /nfs/dbraw/zinc/43/34/34/660433434.db2.gz VKPOAHQCMPFGLX-JTQLQIEISA-N 0 1 381.192 2.655 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)c3cc(C=O)sc3Cl)cc2)CC1 ZINC000829297041 660587886 /nfs/dbraw/zinc/58/78/86/660587886.db2.gz UXVHGDSOQNEAQJ-UHFFFAOYSA-N 0 1 377.897 2.896 20 10 GFCDMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000041374378 654625721 /nfs/dbraw/zinc/62/57/21/654625721.db2.gz QOINIKWMMWJMCR-UHFFFAOYSA-N 0 1 382.869 2.986 20 10 GFCDMN O=C(NCCc1ccc(O)c(O)c1)c1n[nH]c2ccc(Br)cc21 ZINC000179089441 655311816 /nfs/dbraw/zinc/31/18/16/655311816.db2.gz WMYWIMHHVPPQSB-UHFFFAOYSA-N 0 1 376.210 2.709 20 10 GFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000766047072 656158532 /nfs/dbraw/zinc/15/85/32/656158532.db2.gz FHJLBGLRAUMGHB-UHFFFAOYSA-N 0 1 383.809 2.820 20 10 GFCDMN CS(=O)(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)Cc2ccccc21 ZINC000775748371 656678574 /nfs/dbraw/zinc/67/85/74/656678574.db2.gz WSQPWWMGRHESKV-UHFFFAOYSA-N 0 1 384.860 2.967 20 10 GFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000779195194 656904146 /nfs/dbraw/zinc/90/41/46/656904146.db2.gz APOVKTXCHZFDOR-JTQLQIEISA-N 0 1 381.192 2.655 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781897174 657087009 /nfs/dbraw/zinc/08/70/09/657087009.db2.gz DEALSGCCYTYUES-UONOGXRCSA-N 0 1 399.329 2.826 20 10 GFCDMN COc1ccc(N2CCN(C[C@@H](O)CSCCC(F)(F)F)CC2)cc1 ZINC000795555660 658830216 /nfs/dbraw/zinc/83/02/16/658830216.db2.gz GPQPNYFDMCNISW-OAHLLOKOSA-N 0 1 378.460 2.864 20 10 GFCDMN CCN1CCN(c2ccc(CNS(=O)(=O)c3ccsc3)cc2F)CC1 ZINC000795823648 658855256 /nfs/dbraw/zinc/85/52/56/658855256.db2.gz MHLBXHDOFQLJIT-UHFFFAOYSA-N 0 1 383.514 2.508 20 10 GFCDMN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000798965336 659158856 /nfs/dbraw/zinc/15/88/56/659158856.db2.gz ZDUUNIPCDRXMAO-KRWDZBQOSA-N 0 1 386.286 2.946 20 10 GFCDMN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000798965336 659158863 /nfs/dbraw/zinc/15/88/63/659158863.db2.gz ZDUUNIPCDRXMAO-KRWDZBQOSA-N 0 1 386.286 2.946 20 10 GFCDMN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000799725055 659217104 /nfs/dbraw/zinc/21/71/04/659217104.db2.gz CRTGAKVFKQBNGH-SNVBAGLBSA-N 0 1 390.839 2.953 20 10 GFCDMN COC(=O)c1coc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805135268 659747613 /nfs/dbraw/zinc/74/76/13/659747613.db2.gz HSXKBQGLOFETBI-UHFFFAOYSA-N 0 1 380.205 2.557 20 10 GFCDMN NC(=O)COc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806201181 659827126 /nfs/dbraw/zinc/82/71/26/659827126.db2.gz BKTMCIVQLCAYQR-UHFFFAOYSA-N 0 1 384.219 2.885 20 10 GFCDMN O=C1OCCN1c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115935 659878333 /nfs/dbraw/zinc/87/83/33/659878333.db2.gz ZWNNFORQXWVDKO-UHFFFAOYSA-N 0 1 386.788 2.942 20 10 GFCDMN COC(=O)CCCN1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000812766361 660034533 /nfs/dbraw/zinc/03/45/33/660034533.db2.gz MXAHJNZGCIDGCW-UHFFFAOYSA-N 0 1 385.302 2.662 20 10 GFCDMN C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000850519452 661780966 /nfs/dbraw/zinc/78/09/66/661780966.db2.gz MVRPQBLNALBARF-QMMMGPOBSA-N 0 1 390.221 2.782 20 10 GFCDMN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000857062833 662062335 /nfs/dbraw/zinc/06/23/35/662062335.db2.gz NQYJRTKDPNMRDC-KRWDZBQOSA-N 0 1 380.286 2.834 20 10 GFCDMN O=C1NCCN1Cc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000865817092 662445260 /nfs/dbraw/zinc/44/52/60/662445260.db2.gz XZPKOAILXUUAIU-UHFFFAOYSA-N 0 1 390.281 2.970 20 10 GFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Br)ccc3O)C2)cn1 ZINC000874049858 662821467 /nfs/dbraw/zinc/82/14/67/662821467.db2.gz JUWQEKSOHDTRIE-WCQYABFASA-N 0 1 394.269 2.579 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000880003327 662944951 /nfs/dbraw/zinc/94/49/51/662944951.db2.gz DRGQOJPYSHCXSV-VTYGSRLXSA-N 0 1 378.277 2.671 20 10 GFCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895083448 663498706 /nfs/dbraw/zinc/49/87/06/663498706.db2.gz KMTSOUAPYVMAJC-ZDUSSCGKSA-N 0 1 399.182 2.794 20 10 GFCDMN C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Br)ccc1[O-] ZINC000903371435 663783343 /nfs/dbraw/zinc/78/33/43/663783343.db2.gz BLRAOGJFMPMZID-LBPRGKRZSA-N 0 1 386.286 2.854 20 10 GFCDMN C[N@@H+](CC(=O)NC1CC1)Cc1cc(Br)cc(Br)c1[O-] ZINC000179606681 552197676 /nfs/dbraw/zinc/19/76/76/552197676.db2.gz BEMPFSMEYHJPGG-UHFFFAOYSA-N 0 1 392.091 2.628 20 10 GFCDMN C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1[O-] ZINC000184958774 552348926 /nfs/dbraw/zinc/34/89/26/552348926.db2.gz MZQZYSIJEPGVPZ-LLVKDONJSA-N 0 1 399.310 2.695 20 10 GFCDMN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])CC2 ZINC000186103399 552379566 /nfs/dbraw/zinc/37/95/66/552379566.db2.gz PBIQUYINXZEZDR-JQWIXIFHSA-N 0 1 381.274 2.558 20 10 GFCDMN CS(=O)(=O)CC1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000293835662 563825610 /nfs/dbraw/zinc/82/56/10/563825610.db2.gz GVIFJDHOVNQECD-UHFFFAOYSA-N 0 1 376.316 2.848 20 10 GFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2[O-])cn1 ZINC000373168116 563330173 /nfs/dbraw/zinc/33/01/73/563330173.db2.gz TYXACOMNNYFAJE-NVXWUHKLSA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2[O-])cn1 ZINC000373168116 563330178 /nfs/dbraw/zinc/33/01/78/563330178.db2.gz TYXACOMNNYFAJE-NVXWUHKLSA-N 0 1 380.286 2.976 20 10 GFCDMN C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000368214138 563866321 /nfs/dbraw/zinc/86/63/21/563866321.db2.gz XJIGYPNMCVWSFM-NHYWBVRUSA-N 0 1 383.286 2.585 20 10 GFCDMN Cn1ccnc1C(NCc1cccc(Br)c1O)c1nccn1C ZINC000527754278 564759302 /nfs/dbraw/zinc/75/93/02/564759302.db2.gz OLNKTMOMVCZYDR-UHFFFAOYSA-N 0 1 376.258 2.501 20 10 GFCDMN COC(=O)C[C@H]1CSCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737590809 600704735 /nfs/dbraw/zinc/70/47/35/600704735.db2.gz IEAPLTLIBFTSPQ-ZDUSSCGKSA-N 0 1 375.446 2.724 20 10 GFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833874324 605547261 /nfs/dbraw/zinc/54/72/61/605547261.db2.gz IBSPHSCHJKXKON-SJPCQFCGSA-N 0 1 377.460 2.768 20 10 GFCDMN O=S1(=O)C[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])c2ccccc21 ZINC000826030388 660448083 /nfs/dbraw/zinc/44/80/83/660448083.db2.gz YIKXOKIUJBUWAZ-LBPRGKRZSA-N 0 1 382.279 2.815 20 10 GFCDMN CSc1nc(=O)n(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)[nH]1 ZINC000829468451 660593736 /nfs/dbraw/zinc/59/37/36/660593736.db2.gz GKLHGEHPDXTRKF-UHFFFAOYSA-N 0 1 377.857 2.632 20 10 GFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000055639128 654779881 /nfs/dbraw/zinc/77/98/81/654779881.db2.gz FNXMRDDOPKFMIH-UHFFFAOYSA-N 0 1 394.396 2.666 20 10 GFCDMN CCc1nsc(N2CCN(Cc3cccc(Br)c3O)CC2)n1 ZINC000093643072 655020228 /nfs/dbraw/zinc/02/02/28/655020228.db2.gz XASZMXPLHVGSFX-UHFFFAOYSA-N 0 1 383.315 2.891 20 10 GFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC000175766602 655226623 /nfs/dbraw/zinc/22/66/23/655226623.db2.gz CUMFKJPWNXWSPA-UHFFFAOYSA-N 0 1 390.433 2.836 20 10 GFCDMN CO[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@@H]1OC ZINC000754153458 655864400 /nfs/dbraw/zinc/86/44/00/655864400.db2.gz IIKIZVQHDHVZCW-TXEJJXNPSA-N 0 1 395.091 2.763 20 10 GFCDMN CO[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@@H]1OC ZINC000754153458 655864401 /nfs/dbraw/zinc/86/44/01/655864401.db2.gz IIKIZVQHDHVZCW-TXEJJXNPSA-N 0 1 395.091 2.763 20 10 GFCDMN CC(C)c1ncc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000758487323 655934019 /nfs/dbraw/zinc/93/40/19/655934019.db2.gz XOPCKODUNANNKJ-UHFFFAOYSA-N 0 1 379.551 2.791 20 10 GFCDMN COC(=O)[C@@H]1CSCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000840976002 661224029 /nfs/dbraw/zinc/22/40/29/661224029.db2.gz CHWBGUZFFCDZBL-NSHDSACASA-N 0 1 390.299 2.501 20 10 GFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000779461407 656928038 /nfs/dbraw/zinc/92/80/38/656928038.db2.gz ZZZHYMDUZDAYBV-UHFFFAOYSA-N 0 1 375.324 2.998 20 10 GFCDMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1OC ZINC000795338490 658808077 /nfs/dbraw/zinc/80/80/77/658808077.db2.gz BTVMXEIAUZPIMN-UHFFFAOYSA-N 0 1 384.841 2.523 20 10 GFCDMN O=S(=O)(NCc1cc(Br)ccc1O)c1c(F)cccc1F ZINC000796190932 658899504 /nfs/dbraw/zinc/89/95/04/658899504.db2.gz NGQNKKWWRAAWMW-UHFFFAOYSA-N 0 1 378.194 2.911 20 10 GFCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H](C)N1CCOCC1 ZINC000805137398 659748522 /nfs/dbraw/zinc/74/85/22/659748522.db2.gz OPAXBBINFWJJEY-GHMZBOCLSA-N 0 1 376.284 2.607 20 10 GFCDMN CCOC(=O)c1cn(C)nc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806395840 659831314 /nfs/dbraw/zinc/83/13/14/659831314.db2.gz BTPNCWNNZJULJN-UHFFFAOYSA-N 0 1 387.223 2.931 20 10 GFCDMN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(Cl)cc(Cl)c1O ZINC000808088905 659875892 /nfs/dbraw/zinc/87/58/92/659875892.db2.gz FZRSBXKLHAWPMM-UHFFFAOYSA-N 0 1 392.220 2.867 20 10 GFCDMN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808113958 659877722 /nfs/dbraw/zinc/87/77/22/659877722.db2.gz OAFQUKMYCXDPLX-UHFFFAOYSA-N 0 1 384.816 2.878 20 10 GFCDMN CC1=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@@H](C)n2ncnc2N1C ZINC000813685519 660060635 /nfs/dbraw/zinc/06/06/35/660060635.db2.gz JUFFMCJWYPMJQO-SECBINFHSA-N 0 1 382.251 2.892 20 10 GFCDMN Cn1nc(C(F)(F)F)cc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O ZINC000853001369 661878585 /nfs/dbraw/zinc/87/85/85/661878585.db2.gz YYBWUBRQWVODQK-XFFZJAGNSA-N 0 1 390.456 2.734 20 10 GFCDMN CON(C)C(=O)[C@H](C)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000858319546 662108145 /nfs/dbraw/zinc/10/81/45/662108145.db2.gz NDXNGPXTVQXHAG-ZDUSSCGKSA-N 0 1 384.318 2.937 20 10 GFCDMN CCOC(=O)[C@@H](NCc1cc(Br)cc(F)c1O)[C@H]1CCCOC1 ZINC000894542056 663467893 /nfs/dbraw/zinc/46/78/93/663467893.db2.gz WNUXQGBAOSFQSD-HZMBPMFUSA-N 0 1 390.249 2.742 20 10 GFCDMN CN(C)c1ccc(CN[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC000897979360 663628881 /nfs/dbraw/zinc/62/88/81/663628881.db2.gz ZORDOYXYHBHVJS-HNNXBMFYSA-N 0 1 375.270 2.563 20 10 GFCDMN CC[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(Br)ccc1[O-] ZINC000903432143 663784585 /nfs/dbraw/zinc/78/45/85/663784585.db2.gz IFNCROHQZMPRAC-ZDUSSCGKSA-N 0 1 382.258 2.548 20 10 GFCDMN COc1cc(Cl)cc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000184684254 552342198 /nfs/dbraw/zinc/34/21/98/552342198.db2.gz FHKQWKIUDDRUGI-LLVKDONJSA-N 0 1 384.885 2.895 20 10 GFCDMN C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000186025710 552376837 /nfs/dbraw/zinc/37/68/37/552376837.db2.gz JVBCJKUUXDFEIF-SNVBAGLBSA-N 0 1 382.860 2.961 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000278111868 563240974 /nfs/dbraw/zinc/24/09/74/563240974.db2.gz KOKFCEROXJOJFN-UHFFFAOYSA-N 0 1 382.302 2.828 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000368211637 563865981 /nfs/dbraw/zinc/86/59/81/563865981.db2.gz IAJQAPYBUDYYPE-XHDPSFHLSA-N 0 1 383.286 2.585 20 10 GFCDMN COc1ccc(N2CCC[N@@H+](Cn3nc(C(=O)[O-])c4ccccc43)CC2)cc1 ZINC000832383807 601397486 /nfs/dbraw/zinc/39/74/86/601397486.db2.gz NXSPFNOONNUBFM-UHFFFAOYSA-N 0 1 380.448 2.913 20 10 GFCDMN Cn1cc([C@@]2(C)C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043945 602124726 /nfs/dbraw/zinc/12/47/26/602124726.db2.gz ZVMMXSZLCBMRNW-OAQYLSRUSA-N 0 1 381.432 2.725 20 10 GFCDMN O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000833328267 604916414 /nfs/dbraw/zinc/91/64/14/604916414.db2.gz GLYPGLZEWLGRBR-CQSZACIVSA-N 0 1 389.839 2.533 20 10 GFCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826510812 608590419 /nfs/dbraw/zinc/59/04/19/608590419.db2.gz LSAGBLQYLYAFKJ-INIZCTEOSA-N 0 1 389.818 2.938 20 10 GFCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824619191 609329051 /nfs/dbraw/zinc/32/90/51/609329051.db2.gz UNIKYBMZSAQYIS-AWEZNQCLSA-N 0 1 382.443 2.693 20 10 GFCDMN CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825097093 660410512 /nfs/dbraw/zinc/41/05/12/660410512.db2.gz OZJZKHMUDMWMAR-UHFFFAOYSA-N 0 1 399.310 2.695 20 10 GFCDMN C[C@H]1CNCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000269168363 655000467 /nfs/dbraw/zinc/00/04/67/655000467.db2.gz DOSHPXSSGFEJEY-GVIGZQTCSA-N 0 1 395.575 2.550 20 10 GFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000092585278 655014626 /nfs/dbraw/zinc/01/46/26/655014626.db2.gz BALFPFBYTNVKDW-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000092585278 655014630 /nfs/dbraw/zinc/01/46/30/655014630.db2.gz BALFPFBYTNVKDW-NSHDSACASA-N 0 1 399.310 2.995 20 10 GFCDMN COc1cc(Br)cc(CN2CCCC[C@H]2CN2CCOCC2)c1O ZINC000093011083 655016730 /nfs/dbraw/zinc/01/67/30/655016730.db2.gz GEPARDRFYOGXBF-INIZCTEOSA-N 0 1 399.329 2.850 20 10 GFCDMN Cn1cc([C@@H](CO)NCc2ccc(N3CCCCC3)c(Br)c2)cn1 ZINC000838984739 661067161 /nfs/dbraw/zinc/06/71/61/661067161.db2.gz UYQWMZBKUCCHGX-QGZVFWFLSA-N 0 1 393.329 2.996 20 10 GFCDMN CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000273675333 655153573 /nfs/dbraw/zinc/15/35/73/655153573.db2.gz GKHAMSNWIZFOBJ-INIZCTEOSA-N 0 1 398.345 2.748 20 10 GFCDMN CCN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000743870788 655732165 /nfs/dbraw/zinc/73/21/65/655732165.db2.gz AYRHRIXCKXJDJB-STQMWFEESA-N 0 1 385.302 2.612 20 10 GFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775650047 656659991 /nfs/dbraw/zinc/65/99/91/656659991.db2.gz OJWJJQGDQWTFFB-QMMMGPOBSA-N 0 1 393.075 2.912 20 10 GFCDMN Cc1ccc(S(=O)(=O)NCCN(C)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000792169016 658244359 /nfs/dbraw/zinc/24/43/59/658244359.db2.gz HZJYTMXTYWZDDO-UHFFFAOYSA-N 0 1 386.876 2.903 20 10 GFCDMN CS(=O)(=O)[C@@H]1CCN(Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000799949945 659249648 /nfs/dbraw/zinc/24/96/48/659249648.db2.gz ZOXQXHOXBNGLAJ-CYBMUJFWSA-N 0 1 384.295 2.927 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCN(C(=O)C2CC2)CC1 ZINC000804902358 659692524 /nfs/dbraw/zinc/69/25/24/659692524.db2.gz DBAYNQLXOLOXGN-UHFFFAOYSA-N 0 1 386.279 2.899 20 10 GFCDMN O=C(NCCNC(=O)c1cccs1)NCc1cc(Cl)cc(Cl)c1O ZINC000804960354 659703499 /nfs/dbraw/zinc/70/34/99/659703499.db2.gz OQQVEPXBFVGQEW-UHFFFAOYSA-N 0 1 388.276 2.990 20 10 GFCDMN NC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808113484 659877498 /nfs/dbraw/zinc/87/74/98/659877498.db2.gz AJPQLOHLVPCXGR-UHFFFAOYSA-N 0 1 379.196 2.738 20 10 GFCDMN COc1cc(Br)cc(CN(CCCO)Cc2ccccn2)c1O ZINC000809746237 659938077 /nfs/dbraw/zinc/93/80/77/659938077.db2.gz OPECTTCEPFPBFV-UHFFFAOYSA-N 0 1 381.270 2.943 20 10 GFCDMN C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)cc1[O-] ZINC000841748008 661311751 /nfs/dbraw/zinc/31/17/51/661311751.db2.gz GKNLEMREXDTXQI-ZYHUDNBSSA-N 0 1 375.899 2.593 20 10 GFCDMN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(Br)c1O ZINC000843420787 661381005 /nfs/dbraw/zinc/38/10/05/661381005.db2.gz HKYKWCOPRHWKBH-INIZCTEOSA-N 0 1 375.266 2.828 20 10 GFCDMN COC(=O)[C@H](NCc1cccc(Br)c1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000846107690 661532872 /nfs/dbraw/zinc/53/28/72/661532872.db2.gz KRLSPJAKMZMSTN-UXIGCNINSA-N 0 1 386.286 2.991 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396608 661774401 /nfs/dbraw/zinc/77/44/01/661774401.db2.gz ZFLINNCGKXZETE-IAGOWNOFSA-N 0 1 381.314 2.888 20 10 GFCDMN O=C(NCCCSc1nccs1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000853858241 661904763 /nfs/dbraw/zinc/90/47/63/661904763.db2.gz MGNIRVMIFQZPNP-HNNXBMFYSA-N 0 1 384.571 2.522 20 10 GFCDMN Oc1cccc(Br)c1CNCc1cccnc1N1CCOCC1 ZINC000858094527 662098637 /nfs/dbraw/zinc/09/86/37/662098637.db2.gz GTSJYXQHJPLRPF-UHFFFAOYSA-N 0 1 378.270 2.676 20 10 GFCDMN CS(=O)(=O)Cc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858100549 662098895 /nfs/dbraw/zinc/09/88/95/662098895.db2.gz JROHUPZLDUKWEH-UHFFFAOYSA-N 0 1 384.295 2.989 20 10 GFCDMN COCCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862230818 662275174 /nfs/dbraw/zinc/27/51/74/662275174.db2.gz NPIPUFNMTQOTFU-UHFFFAOYSA-N 0 1 385.302 2.519 20 10 GFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Br)cn1 ZINC000862251911 662277891 /nfs/dbraw/zinc/27/78/91/662277891.db2.gz ACRKVCHOXVVPMQ-GUYCJALGSA-N 0 1 380.286 2.976 20 10 GFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Br)cn1 ZINC000862251911 662277894 /nfs/dbraw/zinc/27/78/94/662277894.db2.gz ACRKVCHOXVVPMQ-GUYCJALGSA-N 0 1 380.286 2.976 20 10 GFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862333497 662281389 /nfs/dbraw/zinc/28/13/89/662281389.db2.gz SHYVDRGVKFSPNX-VIFPVBQESA-N 0 1 381.192 2.655 20 10 GFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862333497 662281393 /nfs/dbraw/zinc/28/13/93/662281393.db2.gz SHYVDRGVKFSPNX-VIFPVBQESA-N 0 1 381.192 2.655 20 10 GFCDMN COC(=O)c1csc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000864357037 662368068 /nfs/dbraw/zinc/36/80/68/662368068.db2.gz UQLHJJDXVSYWKD-MDWZMJQESA-N 0 1 382.532 2.830 20 10 GFCDMN Cc1cc(Br)cc([C@H](C)NCc2nc3c(c(=O)[nH]2)COCC3)c1O ZINC000866628712 662484747 /nfs/dbraw/zinc/48/47/47/662484747.db2.gz MTIFWIWATQLASB-JTQLQIEISA-N 0 1 394.269 2.882 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000883049824 663047634 /nfs/dbraw/zinc/04/76/34/663047634.db2.gz WNGPDPAGHPOQID-CVEARBPZSA-N 0 1 387.293 2.761 20 10 GFCDMN Cc1cc(C(=O)NCc2n[nH]c(C)n2)c(C)n1-c1ccc(Br)cn1 ZINC000889700230 663256623 /nfs/dbraw/zinc/25/66/23/663256623.db2.gz WCOKVYALFGZZOX-UHFFFAOYSA-N 0 1 389.257 2.608 20 10 GFCDMN CCOC(=O)[C@@H](NCc1cc(Br)cc(F)c1O)[C@@H]1CCCOC1 ZINC000894542059 663467875 /nfs/dbraw/zinc/46/78/75/663467875.db2.gz WNUXQGBAOSFQSD-YGRLFVJLSA-N 0 1 390.249 2.742 20 10 GFCDMN C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1[O-] ZINC000184958756 552348739 /nfs/dbraw/zinc/34/87/39/552348739.db2.gz MZQZYSIJEPGVPZ-NSHDSACASA-N 0 1 399.310 2.695 20 10 GFCDMN C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186022063 552376898 /nfs/dbraw/zinc/37/68/98/552376898.db2.gz BYRVWURURZRTRW-KWQFWETISA-N 0 1 381.192 2.969 20 10 GFCDMN COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000186128461 552379766 /nfs/dbraw/zinc/37/97/66/552379766.db2.gz SLPOXGIWSHHUOD-LBPRGKRZSA-N 0 1 385.302 2.833 20 10 GFCDMN C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Br)ccc1[O-] ZINC000363857020 563735203 /nfs/dbraw/zinc/73/52/03/563735203.db2.gz PJKAOBLRSCRMKK-RVPKQNPDSA-N 0 1 396.285 2.526 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000368214139 563866020 /nfs/dbraw/zinc/86/60/20/563866020.db2.gz XJIGYPNMCVWSFM-XHDPSFHLSA-N 0 1 383.286 2.585 20 10 GFCDMN C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000368211636 563866228 /nfs/dbraw/zinc/86/62/28/563866228.db2.gz IAJQAPYBUDYYPE-NHYWBVRUSA-N 0 1 383.286 2.585 20 10 GFCDMN O=C([O-])C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1O ZINC000739793723 600144727 /nfs/dbraw/zinc/14/47/27/600144727.db2.gz NWOFGYKESMLLJL-UHFFFAOYSA-N 0 1 380.784 2.919 20 10 GFCDMN O=C([O-])c1cc2ccccc2c(C[NH+]2CCN(CC3CCOCC3)CC2)c1O ZINC000740096509 600205762 /nfs/dbraw/zinc/20/57/62/600205762.db2.gz JIYJPLHCYNJNFI-UHFFFAOYSA-N 0 1 384.476 2.788 20 10 GFCDMN Cc1cccc(C)c1OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000738690397 600314745 /nfs/dbraw/zinc/31/47/45/600314745.db2.gz SLVARBPCFXORHM-QGZVFWFLSA-N 0 1 393.867 2.989 20 10 GFCDMN COc1cc(O)c(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1OC ZINC000833729793 604544478 /nfs/dbraw/zinc/54/44/78/604544478.db2.gz ZQZGKLMSOYRHOG-CQSZACIVSA-N 0 1 386.448 2.818 20 10 GFCDMN CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1C(=O)[O-] ZINC000833684678 604951304 /nfs/dbraw/zinc/95/13/04/604951304.db2.gz NWZKWFKEBSAMOW-QGZVFWFLSA-N 0 1 398.459 2.734 20 10 GFCDMN CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1C(=O)[O-] ZINC000833684678 604951307 /nfs/dbraw/zinc/95/13/07/604951307.db2.gz NWZKWFKEBSAMOW-QGZVFWFLSA-N 0 1 398.459 2.734 20 10 GFCDMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000826158785 608566698 /nfs/dbraw/zinc/56/66/98/608566698.db2.gz CLEOVGFBFXYVKP-UHFFFAOYSA-N 0 1 384.459 2.720 20 10 GFCDMN Cc1cc(Cl)cc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1O ZINC000826267676 608581198 /nfs/dbraw/zinc/58/11/98/608581198.db2.gz QANKHFVFYFEEJD-UHFFFAOYSA-N 0 1 384.871 2.856 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926093 660405408 /nfs/dbraw/zinc/40/54/08/660405408.db2.gz BJPZRCDLRALJKA-XJKSGUPXSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926093 660405410 /nfs/dbraw/zinc/40/54/10/660405410.db2.gz BJPZRCDLRALJKA-XJKSGUPXSA-N 0 1 380.286 2.834 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000825102258 660410886 /nfs/dbraw/zinc/41/08/86/660410886.db2.gz LZEZWSAABJXESY-UHFFFAOYSA-N 0 1 378.270 2.676 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000825246543 660417235 /nfs/dbraw/zinc/41/72/35/660417235.db2.gz CRGCWIJBPORFCT-GFCCVEGCSA-N 0 1 388.208 2.962 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000825893415 660445190 /nfs/dbraw/zinc/44/51/90/660445190.db2.gz ZDOLEMSXVOUVCK-ZDUSSCGKSA-N 0 1 383.208 2.507 20 10 GFCDMN CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000826029517 660448184 /nfs/dbraw/zinc/44/81/84/660448184.db2.gz HCGNDXMDXVFDKX-UHFFFAOYSA-N 0 1 376.316 2.848 20 10 GFCDMN Oc1c(Br)cc(Br)cc1CN1CCc2nn[nH]c2C1 ZINC000827885300 660521448 /nfs/dbraw/zinc/52/14/48/660521448.db2.gz WIFVCUJQCHIWHH-UHFFFAOYSA-N 0 1 388.063 2.594 20 10 GFCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C(=O)NCCc1ccccc1 ZINC000835073420 660840195 /nfs/dbraw/zinc/84/01/95/660840195.db2.gz PUZVNJMSSXLRIX-CYBMUJFWSA-N 0 1 377.282 2.992 20 10 GFCDMN COc1cc(Br)cc(CN2CCCN(c3cccnn3)CC2)c1O ZINC000093150011 655017910 /nfs/dbraw/zinc/01/79/10/655017910.db2.gz LRHLYHZYDLEYNK-UHFFFAOYSA-N 0 1 393.285 2.666 20 10 GFCDMN COc1cc(Br)cc(CN2CCN(CCOC(C)C)CC2)c1O ZINC000093586370 655020280 /nfs/dbraw/zinc/02/02/80/655020280.db2.gz MJPSBKZWTOWXQT-UHFFFAOYSA-N 0 1 387.318 2.706 20 10 GFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000119439317 655303935 /nfs/dbraw/zinc/30/39/35/655303935.db2.gz UXSMPYWJZSJBRZ-LLVKDONJSA-N 0 1 399.310 2.995 20 10 GFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000119439317 655303938 /nfs/dbraw/zinc/30/39/38/655303938.db2.gz UXSMPYWJZSJBRZ-LLVKDONJSA-N 0 1 399.310 2.995 20 10 GFCDMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000732747678 655601177 /nfs/dbraw/zinc/60/11/77/655601177.db2.gz YRGRIUQNKICUQI-UHFFFAOYSA-N 0 1 390.870 2.521 20 10 GFCDMN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756400013 655899282 /nfs/dbraw/zinc/89/92/82/655899282.db2.gz SUAWQUZZMPWMLM-LBPRGKRZSA-N 0 1 388.325 2.970 20 10 GFCDMN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000756528453 655901350 /nfs/dbraw/zinc/90/13/50/655901350.db2.gz YOPUAKCHBCQWNC-CJNGLKHVSA-N 0 1 398.345 2.748 20 10 GFCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000756837049 655905883 /nfs/dbraw/zinc/90/58/83/655905883.db2.gz FJTDOAMBITYCSL-ZETOZRRWSA-N 0 1 393.285 2.733 20 10 GFCDMN COc1cccc(O)c1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000768252998 656235620 /nfs/dbraw/zinc/23/56/20/656235620.db2.gz UHVVFCCWZOEVRM-UHFFFAOYSA-N 0 1 378.270 2.881 20 10 GFCDMN COc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(OC)cc1Br ZINC000780364678 657000789 /nfs/dbraw/zinc/00/07/89/657000789.db2.gz BJPRCKNHQGLWST-UHFFFAOYSA-N 0 1 388.239 2.973 20 10 GFCDMN COc1ccc(CNC(=O)c2cccc(I)c2O)c(O)c1 ZINC000794379282 658534915 /nfs/dbraw/zinc/53/49/15/658534915.db2.gz KRGGTEKFJAVXBO-UHFFFAOYSA-N 0 1 399.184 2.641 20 10 GFCDMN CN1C(=O)c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2C1=O ZINC000807838634 659866890 /nfs/dbraw/zinc/86/68/90/659866890.db2.gz ZVVFMYBNAHGHIT-UHFFFAOYSA-N 0 1 379.199 2.855 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000807840198 659867062 /nfs/dbraw/zinc/86/70/62/659867062.db2.gz UGIBIFZKOPYBAD-QMMMGPOBSA-N 0 1 385.169 2.726 20 10 GFCDMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)ccc21 ZINC000808114400 659877604 /nfs/dbraw/zinc/87/76/04/659877604.db2.gz WTUNEHIVUITLFE-UHFFFAOYSA-N 0 1 384.816 2.895 20 10 GFCDMN Cc1nonc1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000809745634 659938149 /nfs/dbraw/zinc/93/81/49/659938149.db2.gz XNBZHUSOXZRQAQ-UHFFFAOYSA-N 0 1 377.036 2.898 20 10 GFCDMN COc1ccc(N(C)CCN(C)C(=O)c2n[nH]c(C)c2Br)cc1 ZINC000846446119 661551351 /nfs/dbraw/zinc/55/13/51/661551351.db2.gz JIKWZZYBGSZBLM-UHFFFAOYSA-N 0 1 381.274 2.698 20 10 GFCDMN COCCN(Cc1cc(Br)cc(C)c1O)C[C@@H](O)C(F)(F)F ZINC000848922208 661688711 /nfs/dbraw/zinc/68/87/11/661688711.db2.gz MMZUULYRBVVZFC-GFCCVEGCSA-N 0 1 386.208 2.835 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862253532 662278404 /nfs/dbraw/zinc/27/84/04/662278404.db2.gz OWIBDXJQXBOQAV-BLLLJJGKSA-N 0 1 380.286 2.834 20 10 GFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862253532 662278409 /nfs/dbraw/zinc/27/84/09/662278409.db2.gz OWIBDXJQXBOQAV-BLLLJJGKSA-N 0 1 380.286 2.834 20 10 GFCDMN NC(=O)Cc1cccc2c1CCN(Cc1c(O)cccc1Br)C2 ZINC000877678993 662881809 /nfs/dbraw/zinc/88/18/09/662881809.db2.gz WGZIELPXNPCKKX-UHFFFAOYSA-N 0 1 375.266 2.741 20 10 GFCDMN NC(=O)Cc1cccc2c1CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC000877678993 662881811 /nfs/dbraw/zinc/88/18/11/662881811.db2.gz WGZIELPXNPCKKX-UHFFFAOYSA-N 0 1 375.266 2.741 20 10 GFCDMN NC(=O)Cc1cccc2c1CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC000877678993 662881812 /nfs/dbraw/zinc/88/18/12/662881812.db2.gz WGZIELPXNPCKKX-UHFFFAOYSA-N 0 1 375.266 2.741 20 10 GFCDMN CN1CCN(c2ccc(CNC(=O)c3scnc3Br)cc2)CC1 ZINC000881851810 663006089 /nfs/dbraw/zinc/00/60/89/663006089.db2.gz AZXZWEKVNAMNEZ-UHFFFAOYSA-N 0 1 395.326 2.587 20 10 GFCDMN CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894851010 663485106 /nfs/dbraw/zinc/48/51/06/663485106.db2.gz MJIFQXKZCZHFAR-SNVBAGLBSA-N 0 1 380.279 2.550 20 10 GFCDMN CS(=O)(=O)C[C@H]1CCCCN1Cc1cc(Br)cc(F)c1O ZINC000894904484 663487674 /nfs/dbraw/zinc/48/76/74/663487674.db2.gz IQXURJYBJREWIL-GFCCVEGCSA-N 0 1 380.279 2.693 20 10 GFCDMN C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc(Br)cc1[O-] ZINC000903394283 663783496 /nfs/dbraw/zinc/78/34/96/663783496.db2.gz CCOZFOTTZYHYIB-JQWIXIFHSA-N 0 1 379.258 2.580 20 10 GFCDMN CN(C)c1ccc([C@@H](CNS(=O)(=O)CCCC(C)(F)F)N(C)C)cc1 ZINC000908460686 664108746 /nfs/dbraw/zinc/10/87/46/664108746.db2.gz XLEIHMSGQJZWNV-MRXNPFEDSA-N 0 1 377.501 2.710 20 10 GFCDMN CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000373460867 563338813 /nfs/dbraw/zinc/33/88/13/563338813.db2.gz LDQNWYJPJSWFMJ-HZPDHXFCSA-N 0 1 397.313 2.975 20 10 GFCDMN O=C(c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c[nH]1)N1CCCC1 ZINC000288286952 563636833 /nfs/dbraw/zinc/63/68/33/563636833.db2.gz RMTSJDFZCQVDNL-UHFFFAOYSA-N 0 1 387.820 2.550 20 10 GFCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Br)ccc1[O-] ZINC000363857018 563735463 /nfs/dbraw/zinc/73/54/63/563735463.db2.gz PJKAOBLRSCRMKK-DINDLPBHSA-N 0 1 396.285 2.526 20 10 GFCDMN Cc1nc(CN2CCC[C@H]([NH2+]Cc3cc(Br)ccc3[O-])C2)no1 ZINC000369267636 563890659 /nfs/dbraw/zinc/89/06/59/563890659.db2.gz QZWAYQROVAVGSX-AWEZNQCLSA-N 0 1 381.274 2.600 20 10 GFCDMN Cc1ccccc1OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000738784793 600144070 /nfs/dbraw/zinc/14/40/70/600144070.db2.gz OUCPFZQAEULPNV-INIZCTEOSA-N 0 1 379.840 2.681 20 10 GFCDMN O=C([O-])/C=C\c1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000739623960 600178029 /nfs/dbraw/zinc/17/80/29/600178029.db2.gz HTHDNWOZSMKYQD-YHAGJJCESA-N 0 1 397.431 2.548 20 10 GFCDMN COC(=O)c1cc2ccccc2c(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1O ZINC000831353069 600719431 /nfs/dbraw/zinc/71/94/31/600719431.db2.gz ANOGXVPNNHCASL-UHFFFAOYSA-N 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O=C(c1ccncc1)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858101621 662098949 /nfs/dbraw/zinc/09/89/49/662098949.db2.gz DKVQUUDXRVVLDX-UHFFFAOYSA-N 0 1 390.281 2.944 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000858499204 662113638 /nfs/dbraw/zinc/11/36/38/662113638.db2.gz ZXANXOFPVHUFML-ZLKJLUDKSA-N 0 1 391.331 2.666 20 10 GFCDMN Cc1ccc(CN2CCC(n3nncc3I)CC2)c(O)c1 ZINC000877630463 662880286 /nfs/dbraw/zinc/88/02/86/662880286.db2.gz GMHOCLYGHGURHW-UHFFFAOYSA-N 0 1 398.248 2.734 20 10 GFCDMN CCOC(=O)[C@@H](NCc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000894541197 663467912 /nfs/dbraw/zinc/46/79/12/663467912.db2.gz PRWORZVRCLIQHX-AWEZNQCLSA-N 0 1 390.249 2.742 20 10 GFCDMN COC(=O)c1cc2n(n1)CCC[C@@H]2NCc1c(O)cccc1Br ZINC000897986611 663629325 /nfs/dbraw/zinc/62/93/25/663629325.db2.gz DYCQANWJWUWDCA-LBPRGKRZSA-N 0 1 380.242 2.763 20 10 GFCDMN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000897986611 663629327 /nfs/dbraw/zinc/62/93/27/663629327.db2.gz DYCQANWJWUWDCA-LBPRGKRZSA-N 0 1 380.242 2.763 20 10 GFCDMN CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000903362967 663782508 /nfs/dbraw/zinc/78/25/08/663782508.db2.gz KQKHPBRMDGLZEH-DZGCQCFKSA-N 0 1 381.416 2.655 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc(Br)cc1[O-] ZINC000903394282 663783560 /nfs/dbraw/zinc/78/35/60/663783560.db2.gz CCOZFOTTZYHYIB-CMPLNLGQSA-N 0 1 379.258 2.580 20 10 GFCDMN CC(C)(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)CS(C)(=O)=O ZINC000926747172 664696169 /nfs/dbraw/zinc/69/61/69/664696169.db2.gz NXJRZSGSWZLZIR-UHFFFAOYSA-N 0 1 383.297 2.569 20 10 GFCDMN C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1[O-] ZINC000375848290 563421201 /nfs/dbraw/zinc/42/12/01/563421201.db2.gz NOWMWCJOIRUAHE-RVPKQNPDSA-N 0 1 396.285 2.526 20 10 GFCDMN Cc1cc(C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859671 601594004 /nfs/dbraw/zinc/59/40/04/601594004.db2.gz SMOUSMIDKHQUNE-SFHVURJKSA-N 0 1 397.475 2.705 20 10 GFCDMN Cc1cc(C(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859671 601594006 /nfs/dbraw/zinc/59/40/06/601594006.db2.gz SMOUSMIDKHQUNE-SFHVURJKSA-N 0 1 397.475 2.705 20 10 GFCDMN COc1ccc(O)c(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1 ZINC000833733502 605230479 /nfs/dbraw/zinc/23/04/79/605230479.db2.gz IXXSHIYOPSCYCG-KRWDZBQOSA-N 0 1 387.432 2.992 20 10 GFCDMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826169991 608475393 /nfs/dbraw/zinc/47/53/93/608475393.db2.gz LLNGDPUCEFEPHE-HNNXBMFYSA-N 0 1 394.479 2.563 20 10 GFCDMN CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000817415343 660194474 /nfs/dbraw/zinc/19/44/74/660194474.db2.gz RJHADCSHNMBDNY-LLVKDONJSA-N 0 1 392.091 2.628 20 10 GFCDMN CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000817415343 660194477 /nfs/dbraw/zinc/19/44/77/660194477.db2.gz RJHADCSHNMBDNY-LLVKDONJSA-N 0 1 392.091 2.628 20 10 GFCDMN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cccc(Br)c2O)cn1 ZINC000754155028 655864461 /nfs/dbraw/zinc/86/44/61/655864461.db2.gz UHJVIFHASBCLQC-CMJOXMDJSA-N 0 1 398.326 2.677 20 10 GFCDMN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756391016 655899185 /nfs/dbraw/zinc/89/91/85/655899185.db2.gz XJNVBLYIWFOZDD-SECBINFHSA-N 0 1 381.713 2.643 20 10 GFCDMN O=S1(=O)CCN(c2ccc(CNCc3cnc(C4CC4)s3)cc2)CC1 ZINC000761970348 656026809 /nfs/dbraw/zinc/02/68/09/656026809.db2.gz NEIPBFHKDACKFY-UHFFFAOYSA-N 0 1 377.535 2.545 20 10 GFCDMN COCCOC1CN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000779432115 656924946 /nfs/dbraw/zinc/92/49/46/656924946.db2.gz KRRWBRYXZWPQGA-UHFFFAOYSA-N 0 1 395.091 2.764 20 10 GFCDMN CC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214120 659966594 /nfs/dbraw/zinc/96/65/94/659966594.db2.gz OWCCEWPBHWNIRY-GXTWGEPZSA-N 0 1 380.432 2.876 20 10 GFCDMN CC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214121 659966839 /nfs/dbraw/zinc/96/68/39/659966839.db2.gz OWCCEWPBHWNIRY-JSGCOSHPSA-N 0 1 380.432 2.876 20 10 GFCDMN Cc1cc(C(=O)N2CC(N(C)C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843843139 661394230 /nfs/dbraw/zinc/39/42/30/661394230.db2.gz UNSQSLNWGAFSBY-UHFFFAOYSA-N 0 1 377.286 2.638 20 10 GFCDMN [O-]c1c(Br)cc(Br)cc1CNCC12CC(C1)C[NH2+]2 ZINC000853246431 661886056 /nfs/dbraw/zinc/88/60/56/661886056.db2.gz KDEIWWZGIGTFLH-UHFFFAOYSA-N 0 1 376.092 2.759 20 10 GFCDMN CCc1noc(C[C@@]2(O)CCCN(Cc3ccc(Br)cc3O)C2)n1 ZINC000856597075 662037617 /nfs/dbraw/zinc/03/76/17/662037617.db2.gz RZWSYDZGJMDXTO-KRWDZBQOSA-N 0 1 396.285 2.670 20 10 GFCDMN O=S1(=O)C[C@H](C[NH2+]Cc2c([O-])cccc2Br)c2ccccc21 ZINC000858169830 662103073 /nfs/dbraw/zinc/10/30/73/662103073.db2.gz DRFSVXPPLFTDQM-NSHDSACASA-N 0 1 382.279 2.815 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862232212 662275158 /nfs/dbraw/zinc/27/51/58/662275158.db2.gz UFCKETWJMSJXSB-CHWSQXEVSA-N 0 1 385.302 2.518 20 10 GFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862232212 662275162 /nfs/dbraw/zinc/27/51/62/662275162.db2.gz UFCKETWJMSJXSB-CHWSQXEVSA-N 0 1 385.302 2.518 20 10 GFCDMN CCOC(=O)c1cc(CNCc2cc(Br)cc(OC)c2O)on1 ZINC000865764887 662442005 /nfs/dbraw/zinc/44/20/05/662442005.db2.gz PZYULIXPQYKHDI-UHFFFAOYSA-N 0 1 385.214 2.618 20 10 GFCDMN COc1cc(Br)cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000877693526 662881951 /nfs/dbraw/zinc/88/19/51/662881951.db2.gz JFHRLTYWQVSMHE-GXSJLCMTSA-N 0 1 384.192 2.766 20 10 GFCDMN C[C@H](CN1CCN(C)CC1)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000882988669 663046070 /nfs/dbraw/zinc/04/60/70/663046070.db2.gz ZZQJXVXVMOKBBW-LLVKDONJSA-N 0 1 376.726 2.534 20 10 GFCDMN CN1CCN(CCC(C)(C)[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000883091150 663048496 /nfs/dbraw/zinc/04/84/96/663048496.db2.gz FPFNAKMULNEIJX-UHFFFAOYSA-N 0 1 388.325 2.800 20 10 GFCDMN COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Br)cc(F)c1O ZINC000895593345 663520199 /nfs/dbraw/zinc/52/01/99/663520199.db2.gz PZUULZQBKLIVJP-CQSZACIVSA-N 0 1 390.249 2.742 20 10 GFCDMN CC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Br)ccc1[O-] ZINC000903396249 663783675 /nfs/dbraw/zinc/78/36/75/663783675.db2.gz LJTLGFXHBNOJRY-OCCSQVGLSA-N 0 1 393.285 2.970 20 10 GFCDMN O=C(COCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158084623 551546597 /nfs/dbraw/zinc/54/65/97/551546597.db2.gz QFJZZDIBCCOKCS-ZDUSSCGKSA-N 0 1 380.794 2.705 20 10 GFCDMN O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCC[C@@H]1CF ZINC000294194816 563833534 /nfs/dbraw/zinc/83/35/34/563833534.db2.gz UPCKWWWRBSQYMB-GFCCVEGCSA-N 0 1 384.454 2.829 20 10 GFCDMN CCn1cc(C[N@H+]2CCCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000737300787 600215322 /nfs/dbraw/zinc/21/53/22/600215322.db2.gz FBUQIXGHGANLOD-FNORWQNLSA-N 0 1 399.451 2.621 20 10 GFCDMN C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736725312 600503899 /nfs/dbraw/zinc/50/38/99/600503899.db2.gz QXLUJGSUNGYEBF-ZKKXHLJNSA-N 0 1 382.420 2.971 20 10 GFCDMN CC(C)(CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000823881368 605520795 /nfs/dbraw/zinc/52/07/95/605520795.db2.gz FWOODQYASPAANJ-CQSZACIVSA-N 0 1 383.876 2.563 20 10 GFCDMN CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825223031 660416171 /nfs/dbraw/zinc/41/61/71/660416171.db2.gz WJUFJIVNSNVRNI-INIZCTEOSA-N 0 1 377.282 2.944 20 10 GFCDMN CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825423080 660426756 /nfs/dbraw/zinc/42/67/56/660426756.db2.gz XAQYDBUDCLRWOW-UHFFFAOYSA-N 0 1 384.295 2.989 20 10 GFCDMN C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCN1 ZINC000269187570 655000968 /nfs/dbraw/zinc/00/09/68/655000968.db2.gz GHGNNEVJYBECFC-GVIGZQTCSA-N 0 1 395.575 2.550 20 10 GFCDMN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1 ZINC000273443785 655143573 /nfs/dbraw/zinc/14/35/73/655143573.db2.gz ZGKPEBSYIBGDOS-LLVKDONJSA-N 0 1 399.310 2.914 20 10 GFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274739600 655199553 /nfs/dbraw/zinc/19/95/53/655199553.db2.gz CKIIRZZCZBNMLA-UHFFFAOYSA-N 0 1 378.270 2.676 20 10 GFCDMN Oc1c(Br)cccc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000317291297 655380932 /nfs/dbraw/zinc/38/09/32/655380932.db2.gz QMJCHSVMHHZLQH-UHFFFAOYSA-N 0 1 377.164 2.781 20 10 GFCDMN COc1ccc(O)c(CNC(=O)c2cccc(I)c2O)c1 ZINC000755529465 655885206 /nfs/dbraw/zinc/88/52/06/655885206.db2.gz HQUPJQGLILOCGU-UHFFFAOYSA-N 0 1 399.184 2.641 20 10 GFCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])CN1CCN(C)CC1 ZINC000756535440 655901520 /nfs/dbraw/zinc/90/15/20/655901520.db2.gz QBKBFIWJSBGQNE-STQMWFEESA-N 0 1 388.325 2.828 20 10 GFCDMN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3[O-])C2)n(C)n1 ZINC000767737557 656217942 /nfs/dbraw/zinc/21/79/42/656217942.db2.gz DFTVBSMUGKMEJF-OAHLLOKOSA-N 0 1 379.302 2.955 20 10 GFCDMN O=C(CCOCC(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000790788120 658023510 /nfs/dbraw/zinc/02/35/10/658023510.db2.gz RFAUNIMWCKKDER-AWEZNQCLSA-N 0 1 376.831 2.798 20 10 GFCDMN O=S1(=O)CCN(c2ccc(CNCc3ccc(Br)o3)cc2)CC1 ZINC000790961797 658049432 /nfs/dbraw/zinc/04/94/32/658049432.db2.gz MNDZSTQBCGHOCG-UHFFFAOYSA-N 0 1 399.310 2.567 20 10 GFCDMN CC[N@@H+](CCOCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000800531838 659314608 /nfs/dbraw/zinc/31/46/08/659314608.db2.gz LGWQXIQZDMGOAD-UHFFFAOYSA-N 0 1 397.107 2.748 20 10 GFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1N1CCOCC1 ZINC000807837891 659866921 /nfs/dbraw/zinc/86/69/21/659866921.db2.gz FGYGYZHGPXDOOC-UHFFFAOYSA-N 0 1 382.247 2.861 20 10 GFCDMN COC(=O)C1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000809847568 659948954 /nfs/dbraw/zinc/94/89/54/659948954.db2.gz SDWYVORSKYAWEI-UHFFFAOYSA-N 0 1 396.292 2.852 20 10 GFCDMN CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225070 659967073 /nfs/dbraw/zinc/96/70/73/659967073.db2.gz RZXRQLXZKVLAFH-AWEZNQCLSA-N 0 1 380.432 2.877 20 10 GFCDMN CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225071 659967181 /nfs/dbraw/zinc/96/71/81/659967181.db2.gz RZXRQLXZKVLAFH-CQSZACIVSA-N 0 1 380.432 2.877 20 10 GFCDMN CNC(=O)c1cncc(/C=C/C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813684958 660060505 /nfs/dbraw/zinc/06/05/05/660060505.db2.gz ZDELYTOZYOWINF-NSCUHMNNSA-N 0 1 380.231 2.783 20 10 GFCDMN Nc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1-c1ccccn1 ZINC000816682055 660165256 /nfs/dbraw/zinc/16/52/56/660165256.db2.gz NOCBMCFGRRWRLC-UHFFFAOYSA-N 0 1 378.219 2.792 20 10 GFCDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000844256375 661411652 /nfs/dbraw/zinc/41/16/52/661411652.db2.gz VREDLZUITBWODJ-UHFFFAOYSA-N 0 1 390.870 2.521 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446194 661592716 /nfs/dbraw/zinc/59/27/16/661592716.db2.gz LWLVBMMNKDNBEP-CABCVRRESA-N 0 1 382.302 2.971 20 10 GFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847446194 661592723 /nfs/dbraw/zinc/59/27/23/661592723.db2.gz LWLVBMMNKDNBEP-CABCVRRESA-N 0 1 382.302 2.971 20 10 GFCDMN COCC[N@H+](Cc1cc(C)cc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC000848922500 661688760 /nfs/dbraw/zinc/68/87/60/661688760.db2.gz VCYHZILCXSQKOB-GFCCVEGCSA-N 0 1 386.208 2.835 20 10 GFCDMN COc1cc(Br)cc(CNC(C)(C)c2nc(C)cc(=O)[nH]2)c1O ZINC000862432414 662287616 /nfs/dbraw/zinc/28/76/16/662287616.db2.gz BSFLAHDCCQXJON-UHFFFAOYSA-N 0 1 382.258 2.992 20 10 GFCDMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cccc(Br)c3O)C2)cn1 ZINC000874051114 662821417 /nfs/dbraw/zinc/82/14/17/662821417.db2.gz OGXRFACYJMMJGW-OLZOCXBDSA-N 0 1 394.269 2.579 20 10 GFCDMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3O)C2)cn1 ZINC000874051114 662821418 /nfs/dbraw/zinc/82/14/18/662821418.db2.gz OGXRFACYJMMJGW-OLZOCXBDSA-N 0 1 394.269 2.579 20 10 GFCDMN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000883049825 663047698 /nfs/dbraw/zinc/04/76/98/663047698.db2.gz WNGPDPAGHPOQID-HOTGVXAUSA-N 0 1 387.293 2.761 20 10 GFCDMN COc1cccc(CN[C@H](CO)c2ccccc2I)c1O ZINC000898513443 663654520 /nfs/dbraw/zinc/65/45/20/663654520.db2.gz UQIYLONBWOBCFM-CQSZACIVSA-N 0 1 399.228 2.829 20 10 GFCDMN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cc(Br)ccc1[O-] ZINC000375510878 563408169 /nfs/dbraw/zinc/40/81/69/563408169.db2.gz XEEFHCNFKGKOBZ-MNRXQERYSA-N 0 1 393.285 2.559 20 10 GFCDMN CCN(Cc1cc(Br)ccc1O)C[C@H]1CCCS(=O)(=O)C1 ZINC000283911789 563459015 /nfs/dbraw/zinc/45/90/15/563459015.db2.gz BTXKIPHOUUQSRW-GFCCVEGCSA-N 0 1 376.316 2.801 20 10 GFCDMN CN(Cc1nncn1C)Cc1cc(Br)cc(Br)c1O ZINC000289688773 563683601 /nfs/dbraw/zinc/68/36/01/563683601.db2.gz BOIBHPHCDFHKHC-UHFFFAOYSA-N 0 1 390.079 2.678 20 10 GFCDMN C[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737454194 600498175 /nfs/dbraw/zinc/49/81/75/600498175.db2.gz CUCZJEPLRCJSGF-OAHLLOKOSA-N 0 1 396.365 2.839 20 10 GFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000739794155 600953814 /nfs/dbraw/zinc/95/38/14/600953814.db2.gz VNNJWOGVAJZGTF-MRXNPFEDSA-N 0 1 390.823 2.958 20 10 GFCDMN O=C([O-])c1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000833106391 601603176 /nfs/dbraw/zinc/60/31/76/601603176.db2.gz KSFAMLBBMCQWGG-GOSISDBHSA-N 0 1 384.432 2.710 20 10 GFCDMN O=C([O-])c1ccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000833106391 601603177 /nfs/dbraw/zinc/60/31/77/601603177.db2.gz KSFAMLBBMCQWGG-GOSISDBHSA-N 0 1 384.432 2.710 20 10 GFCDMN O=C([O-])c1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000833106394 601603298 /nfs/dbraw/zinc/60/32/98/601603298.db2.gz KSFAMLBBMCQWGG-SFHVURJKSA-N 0 1 384.432 2.710 20 10 GFCDMN O=C([O-])c1ccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000833106394 601603300 /nfs/dbraw/zinc/60/33/00/601603300.db2.gz KSFAMLBBMCQWGG-SFHVURJKSA-N 0 1 384.432 2.710 20 10 GFCDMN O=S1(=O)CCc2cc(C[NH2+]Cc3ccc(Br)cc3[O-])ccc21 ZINC000825354484 660422702 /nfs/dbraw/zinc/42/27/02/660422702.db2.gz WBAIGPBTUCIKKC-UHFFFAOYSA-N 0 1 382.279 2.774 20 10 GFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000825893414 660445168 /nfs/dbraw/zinc/44/51/68/660445168.db2.gz ZDOLEMSXVOUVCK-CYBMUJFWSA-N 0 1 383.208 2.507 20 10 GFCDMN COc1cc(Br)cc(CN2CCC(N3CCOC3=O)CC2)c1O ZINC000827740889 660511436 /nfs/dbraw/zinc/51/14/36/660511436.db2.gz JFRMAMYTNJEFOW-UHFFFAOYSA-N 0 1 385.258 2.580 20 10 GFCDMN CCOCCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000153170531 655065216 /nfs/dbraw/zinc/06/52/16/655065216.db2.gz VPSVBNDMCJMBMQ-UHFFFAOYSA-N 0 1 399.329 2.910 20 10 GFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000174424494 655201997 /nfs/dbraw/zinc/20/19/97/655201997.db2.gz RFGZMUOTJVLHGA-CVEARBPZSA-N 0 1 388.302 2.533 20 10 GFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000174424494 655202000 /nfs/dbraw/zinc/20/20/00/655202000.db2.gz RFGZMUOTJVLHGA-CVEARBPZSA-N 0 1 388.302 2.533 20 10 GFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275147451 655219694 /nfs/dbraw/zinc/21/96/94/655219694.db2.gz XBFHLGQLQZLDBN-JTQLQIEISA-N 0 1 378.778 2.749 20 10 GFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275147451 655219695 /nfs/dbraw/zinc/21/96/95/655219695.db2.gz XBFHLGQLQZLDBN-JTQLQIEISA-N 0 1 378.778 2.749 20 10 GFCDMN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1[O-] ZINC000756528394 655901326 /nfs/dbraw/zinc/90/13/26/655901326.db2.gz YGVBRAFGMOMSSM-CJNGLKHVSA-N 0 1 398.345 2.748 20 10 GFCDMN COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1O ZINC000761012399 655996273 /nfs/dbraw/zinc/99/62/73/655996273.db2.gz RJXFHCVNCDWFFP-XFXZXTDPSA-N 0 1 389.205 2.625 20 10 GFCDMN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000762794419 656058980 /nfs/dbraw/zinc/05/89/80/656058980.db2.gz LFDUVCGVBIUPCU-GFCCVEGCSA-N 0 1 385.251 2.914 20 10 GFCDMN CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000775525174 656647487 /nfs/dbraw/zinc/64/74/87/656647487.db2.gz YFRMEIMWPHZHDT-OCCSQVGLSA-N 0 1 389.926 2.983 20 10 GFCDMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000792242087 658256951 /nfs/dbraw/zinc/25/69/51/658256951.db2.gz DJTUTOSRZSFNRT-UHFFFAOYSA-N 0 1 375.479 2.565 20 10 GFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000793416138 658394391 /nfs/dbraw/zinc/39/43/91/658394391.db2.gz QEAYNCZJEMJEMT-UHFFFAOYSA-N 0 1 378.431 2.898 20 10 GFCDMN CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227911 659967186 /nfs/dbraw/zinc/96/71/86/659967186.db2.gz MTELMEVKTFHXCU-TZMCWYRMSA-N 0 1 380.432 2.876 20 10 GFCDMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H](C)c1ccccc1O ZINC000877757149 662882942 /nfs/dbraw/zinc/88/29/42/662882942.db2.gz JEGGWBGFGUZQGN-WCQYABFASA-N 0 1 383.901 2.761 20 10 GFCDMN O=S1(=O)CCN(Cc2cc(Br)cc(F)c2O)[C@H]2CCCC[C@H]21 ZINC000894025265 663438211 /nfs/dbraw/zinc/43/82/11/663438211.db2.gz UVPKXMUMZRDZPW-UONOGXRCSA-N 0 1 392.290 2.835 20 10 GFCDMN CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1cc(Br)cc(F)c1O ZINC000895197710 663502900 /nfs/dbraw/zinc/50/29/00/663502900.db2.gz OMWULZYIBKPGJX-LBPRGKRZSA-N 0 1 393.278 2.512 20 10 GFCDMN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(Br)cc1[O-] ZINC000897986305 663629228 /nfs/dbraw/zinc/62/92/28/663629228.db2.gz BKYUUWDAHYWRKH-GFCCVEGCSA-N 0 1 380.242 2.763 20 10 GFCDMN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(Br)ccc3[O-])C2)c1Cl ZINC000898365050 663644608 /nfs/dbraw/zinc/64/46/08/663644608.db2.gz UOLJVLLIWLAZCP-NSHDSACASA-N 0 1 399.676 2.672 20 10 GFCDMN Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000935990776 665002940 /nfs/dbraw/zinc/00/29/40/665002940.db2.gz ANDSQRAVSARTSU-CQSZACIVSA-N 0 1 383.235 2.550 20 10 GFCDMN