smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCSC(F)(F)F)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001311615306 1069467143 /nfs/dbraw/zinc/46/71/43/1069467143.db2.gz ZILXNTHJJPUMOB-UHFFFAOYSA-N -1 1 451.467 3.679 20 0 JHADMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001311913742 1069610217 /nfs/dbraw/zinc/61/02/17/1069610217.db2.gz IOWSWUUJYWKYRC-LBPRGKRZSA-N -1 1 459.959 3.901 20 0 JHADMM CCOc1cc(Cn2c(C3CC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1OC ZINC001314164523 1069658813 /nfs/dbraw/zinc/65/88/13/1069658813.db2.gz RUGXZBRGXBOUDZ-UHFFFAOYSA-N -1 1 481.519 3.506 20 0 JHADMM Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001306869802 1069667569 /nfs/dbraw/zinc/66/75/69/1069667569.db2.gz XGUNLKKIHJFUEW-BHYGNILZSA-N -1 1 457.493 3.619 20 0 JHADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])NC(=O)OC(C)(C)C ZINC001306883073 1069672434 /nfs/dbraw/zinc/67/24/34/1069672434.db2.gz VIBLRKAPCDXXNK-JXFKEZNVSA-N -1 1 455.555 3.522 20 0 JHADMM O=C([N-][C@H]1CN(C(=O)N[C@H](CCCO)c2ccccc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001312045076 1069690348 /nfs/dbraw/zinc/69/03/48/1069690348.db2.gz QIXIWYJAIZLTRD-HBMCJLEFSA-N -1 1 481.490 3.886 20 0 JHADMM CO[C@H](CNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC001312097530 1069719782 /nfs/dbraw/zinc/71/97/82/1069719782.db2.gz QWKXYJOBINJHTK-FUHWJXTLSA-N -1 1 455.864 3.847 20 0 JHADMM CC[C@H]1Oc2cc([C@H](C)NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)ccc2NC1=O ZINC001312136712 1069742108 /nfs/dbraw/zinc/74/21/08/1069742108.db2.gz YBYVZMYWXPVSTN-YCRPNKLZSA-N -1 1 451.523 3.867 20 0 JHADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N[C@H]1CCc2ccc(O)cc21 ZINC001312262744 1069819788 /nfs/dbraw/zinc/81/97/88/1069819788.db2.gz CNFISEZQRGCLAW-QFIPXVFZSA-N -1 1 455.511 3.819 20 0 JHADMM CCOC(=O)CCc1c(C)nc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)[n-]c1=O ZINC001307390330 1069966850 /nfs/dbraw/zinc/96/68/50/1069966850.db2.gz VHTQWHDOZSPUJF-LBPRGKRZSA-N -1 1 453.948 3.768 20 0 JHADMM CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001307403936 1069970010 /nfs/dbraw/zinc/97/00/10/1069970010.db2.gz HVNPGWQWIXAYMP-MRXNPFEDSA-N -1 1 450.564 3.989 20 0 JHADMM O=C([N-][C@H]1CN(C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001312940124 1070190133 /nfs/dbraw/zinc/19/01/33/1070190133.db2.gz FHZNEMDAXPNOCN-HAGHYFMRSA-N -1 1 471.495 3.719 20 0 JHADMM CO[C@H](CNC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC001313079639 1070243647 /nfs/dbraw/zinc/24/36/47/1070243647.db2.gz MLFPJUVOFKEUTP-VAMGGRTRSA-N -1 1 455.521 3.828 20 0 JHADMM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001309224308 1070624830 /nfs/dbraw/zinc/62/48/30/1070624830.db2.gz OFCZULBMERILGT-UHFFFAOYSA-N -1 1 458.580 3.548 20 0 JHADMM Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001309303253 1070683714 /nfs/dbraw/zinc/68/37/14/1070683714.db2.gz TWGKHRUMJBGJTD-UHFFFAOYSA-N -1 1 452.504 3.553 20 0 JHADMM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c(Br)n1C ZINC001309319631 1070695448 /nfs/dbraw/zinc/69/54/48/1070695448.db2.gz CBKHVZCXDLWYRL-NXEZZACHSA-N -1 1 454.312 3.980 20 0 JHADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@H](OC)c2ccccc2F)c1F ZINC001309346097 1070712345 /nfs/dbraw/zinc/71/23/45/1070712345.db2.gz IBSRZASHRXLHQQ-QFYYESIMSA-N -1 1 450.301 3.790 20 0 JHADMM CC[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC001309381308 1070735296 /nfs/dbraw/zinc/73/52/96/1070735296.db2.gz SGVDGDJCAXCXMM-IBGZPJMESA-N -1 1 454.514 3.823 20 0 JHADMM COC(=O)[C@H]([N-]S(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccc(OC)c(Cl)c1 ZINC001309416086 1070755798 /nfs/dbraw/zinc/75/57/98/1070755798.db2.gz DCLLIVMIVIFVPN-GOSISDBHSA-N -1 1 458.319 3.569 20 0 JHADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)c1cccc(C)c1C ZINC001309426684 1070763149 /nfs/dbraw/zinc/76/31/49/1070763149.db2.gz PFOLLHSPNOPFOZ-SFHVURJKSA-N -1 1 456.358 3.657 20 0 JHADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)c1c(C)nn(Cc2ccccc2)c1C ZINC001309481607 1070798029 /nfs/dbraw/zinc/79/80/29/1070798029.db2.gz PNVNMLZIBVZCME-QFIPXVFZSA-N -1 1 459.612 3.652 20 0 JHADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c1F ZINC001309565549 1070860134 /nfs/dbraw/zinc/86/01/34/1070860134.db2.gz JLQSSAFWVMEYQW-ZWNOBZJWSA-N -1 1 450.351 3.857 20 0 JHADMM Cn1ncc(S(=O)(=O)[N-]C2(c3cc(Cl)cc(Br)c3)CC2)c1C(F)(F)F ZINC001309809367 1070977505 /nfs/dbraw/zinc/97/75/05/1070977505.db2.gz OVKCAHHVLRHMPM-UHFFFAOYSA-N -1 1 458.687 3.822 20 0 JHADMM CC(C)(C)OC(=O)N1CC[C@]2([N-]S(=O)(=O)c3sccc3Br)CCC[C@@H]12 ZINC001309826946 1070986615 /nfs/dbraw/zinc/98/66/15/1070986615.db2.gz YDQDXAVIZFXDJU-MLGOLLRUSA-N -1 1 451.408 3.721 20 0 JHADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001309837841 1070991424 /nfs/dbraw/zinc/99/14/24/1070991424.db2.gz XTFKBFQHBSUDMO-BDJLRTHQSA-N -1 1 450.276 3.924 20 0 JHADMM COC(=O)[C@](C)([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1cccc(Br)c1 ZINC001309886674 1071005460 /nfs/dbraw/zinc/00/54/60/1071005460.db2.gz YPMVSOLZMXWLJX-CZUORRHYSA-N -1 1 454.333 3.582 20 0 JHADMM CN(CCn1c(CC(C)(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001314864175 1071262349 /nfs/dbraw/zinc/26/23/49/1071262349.db2.gz MIMZVEXQDRBEEV-UHFFFAOYSA-N -1 1 480.579 3.898 20 0 JHADMM COc1ccc(NC(=O)NC/C=C/c2ccc(Br)cc2)cc1[N-]S(C)(=O)=O ZINC001310354952 1071333421 /nfs/dbraw/zinc/33/34/21/1071333421.db2.gz KJSQWJMZDZZJLK-ONEGZZNKSA-N -1 1 454.346 3.664 20 0 JHADMM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)cnc1C ZINC001306068673 1068504669 /nfs/dbraw/zinc/50/46/69/1068504669.db2.gz UFDWAOBMCKVROG-UHFFFAOYSA-N -1 1 457.483 3.677 20 0 JHADMM O=C([N-]C[C@H]1CCCN(C(=O)Nc2cc3ccccc3nc2Br)C1)C(F)(F)F ZINC001310554773 1069014290 /nfs/dbraw/zinc/01/42/90/1069014290.db2.gz WHHOGXHBMYXTAX-LLVKDONJSA-N -1 1 459.266 3.920 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 ZINC001310740379 1069143726 /nfs/dbraw/zinc/14/37/26/1069143726.db2.gz PMSTUVYWNUYRGZ-ZACQAIPSSA-N -1 1 470.492 3.835 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001310742603 1069145658 /nfs/dbraw/zinc/14/56/58/1069145658.db2.gz YHDJXOWYTSESDY-CQSZACIVSA-N -1 1 458.481 3.647 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001310742508 1069145690 /nfs/dbraw/zinc/14/56/90/1069145690.db2.gz VKBQHBOPVMQZIQ-OAHLLOKOSA-N -1 1 458.481 3.695 20 0 JHADMM NC(=O)Nc1cc(NC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)ccc1F ZINC001310775131 1069156527 /nfs/dbraw/zinc/15/65/27/1069156527.db2.gz VGKICBUJGDVTIW-LLVKDONJSA-N -1 1 453.396 3.521 20 0 JHADMM CCOc1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)nc1C ZINC001311029272 1069251690 /nfs/dbraw/zinc/25/16/90/1069251690.db2.gz MOQAVAUJIVSZHM-IAGOWNOFSA-N -1 1 450.461 3.857 20 0 JHADMM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164912112 721738824 /nfs/dbraw/zinc/73/88/24/721738824.db2.gz LPSCCYPMRASOBU-GOSISDBHSA-N -1 1 473.858 3.506 20 0 JHADMM CC[C@](C)(CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])C1OCCO1 ZINC001306659574 1069377124 /nfs/dbraw/zinc/37/71/24/1069377124.db2.gz GNEQVJYGTAYZDB-HFZDXXHNSA-N -1 1 454.567 3.836 20 0 JHADMM CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001306713952 1069445002 /nfs/dbraw/zinc/44/50/02/1069445002.db2.gz PXMLSKKQMHMWNX-UHFFFAOYSA-N -1 1 453.509 3.861 20 0 JHADMM CCCCOc1ncccc1CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001311708735 1069512702 /nfs/dbraw/zinc/51/27/02/1069512702.db2.gz QSLZUGSWAWQKTJ-QGZVFWFLSA-N -1 1 450.461 3.580 20 0 JHADMM Cc1cccc2c1OC[C@@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C2 ZINC001311835545 1069570740 /nfs/dbraw/zinc/57/07/40/1069570740.db2.gz TYEOWJUQXYCAKF-FQEVSTJZSA-N -1 1 451.548 3.599 20 0 JHADMM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC001311835159 1069570766 /nfs/dbraw/zinc/57/07/66/1069570766.db2.gz PGFYRCMFFRZSHL-JPYJTQIMSA-N -1 1 453.564 3.717 20 0 JHADMM C[C@@H](O)[C@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1F ZINC001311835996 1069571270 /nfs/dbraw/zinc/57/12/70/1069571270.db2.gz WVSLOSPYGUQXNG-ZHRRBRCNSA-N -1 1 457.527 3.548 20 0 JHADMM C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001306858704 1069663588 /nfs/dbraw/zinc/66/35/88/1069663588.db2.gz NSTZISYANHNCTE-ZIAGYGMSSA-N -1 1 457.379 3.885 20 0 JHADMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001306868251 1069666858 /nfs/dbraw/zinc/66/68/58/1069666858.db2.gz CWWKXRJMAQCCTN-KKUMJFAQSA-N -1 1 451.530 3.620 20 0 JHADMM CN(CCCNC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC001306876645 1069670320 /nfs/dbraw/zinc/67/03/20/1069670320.db2.gz RKMUKEFLQBXXER-HXUWFJFHSA-N -1 1 455.555 3.523 20 0 JHADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001306890886 1069675706 /nfs/dbraw/zinc/67/57/06/1069675706.db2.gz IEEGQDMPUIRULB-UHFFFAOYSA-N -1 1 459.591 3.670 20 0 JHADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001306892709 1069676516 /nfs/dbraw/zinc/67/65/16/1069676516.db2.gz AZRYKQALNHYIDP-VBKZILBWSA-N -1 1 452.935 3.921 20 0 JHADMM COc1ccc(C=C2N=C(SCc3nn[n-]n3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC001307235991 1069910320 /nfs/dbraw/zinc/91/03/20/1069910320.db2.gz DDKIBWHNWCFHHA-SXGWCWSVSA-N -1 1 456.915 3.547 20 0 JHADMM CCOCc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCc1scnc1C ZINC001314325130 1070111769 /nfs/dbraw/zinc/11/17/69/1070111769.db2.gz JMNPNQBHLFZCAI-UHFFFAOYSA-N -1 1 455.584 3.627 20 0 JHADMM O=C([N-][C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001307947106 1070253904 /nfs/dbraw/zinc/25/39/04/1070253904.db2.gz MRYXSAHVODWTOX-VAMGGRTRSA-N -1 1 465.903 3.982 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001313410265 1070350868 /nfs/dbraw/zinc/35/08/68/1070350868.db2.gz JYZHHDHAZNABHJ-BBWFWOEESA-N -1 1 478.556 3.655 20 0 JHADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N[C@H]1CCOCC12CCCC2 ZINC001313416441 1070353406 /nfs/dbraw/zinc/35/34/06/1070353406.db2.gz KDFZUWYTLTWODH-QFIPXVFZSA-N -1 1 457.596 3.978 20 0 JHADMM CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC001308994519 1070473990 /nfs/dbraw/zinc/47/39/90/1070473990.db2.gz BVIZPWNTGFKRHC-UHFFFAOYSA-N -1 1 454.923 3.833 20 0 JHADMM O=S(=O)([N-]Cc1ccnc(Oc2ccc(F)cc2)c1)c1ccc(Br)nc1F ZINC001309023498 1070490746 /nfs/dbraw/zinc/49/07/46/1070490746.db2.gz AMJIXQFAKZRKML-UHFFFAOYSA-N -1 1 456.268 3.788 20 0 JHADMM O=S(=O)([N-]c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1)c1ccccc1 ZINC001309103768 1070542012 /nfs/dbraw/zinc/54/20/12/1070542012.db2.gz YYBYKGSRISMOKP-UHFFFAOYSA-N -1 1 458.439 3.669 20 0 JHADMM 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JHADMM O=C(NC[C@]1(O)CCCc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001310474070 1071416194 /nfs/dbraw/zinc/41/61/94/1071416194.db2.gz CBKOAARUXHOCQP-XMMPIXPASA-N -1 1 451.548 3.833 20 0 JHADMM CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001306044534 1068464196 /nfs/dbraw/zinc/46/41/96/1068464196.db2.gz BGVKBOQTMSREMA-UHFFFAOYSA-N -1 1 450.587 3.552 20 0 JHADMM O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1cc(Br)cc(Cl)c1[O-] ZINC001306378423 1068810515 /nfs/dbraw/zinc/81/05/15/1068810515.db2.gz TVTMENLKPYEEMD-UHFFFAOYSA-N -1 1 451.708 3.773 20 0 JHADMM COc1cnc(C(C)(C)NC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)[n-]c1=O ZINC001310656775 1069091185 /nfs/dbraw/zinc/09/11/85/1069091185.db2.gz HZKUOBJIUHVAQX-UHFFFAOYSA-N -1 1 450.364 3.910 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001310741021 1069144921 /nfs/dbraw/zinc/14/49/21/1069144921.db2.gz CCMLBZQGSQDYKI-UHFFFAOYSA-N -1 1 458.481 3.695 20 0 JHADMM 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COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccc(Br)cc1 ZINC001309122446 1070551456 /nfs/dbraw/zinc/55/14/56/1070551456.db2.gz HZXRPCORTFDTNO-HNNXBMFYSA-N -1 1 450.713 3.575 20 0 JHADMM O=C([N-]CCCc1ccc(S(=O)(=O)NCc2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC001309133449 1070558118 /nfs/dbraw/zinc/55/81/18/1070558118.db2.gz ZUCUMCHSLGKNNP-UHFFFAOYSA-N -1 1 452.857 3.569 20 0 JHADMM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)c1nc(C)cs1 ZINC001309166058 1070581338 /nfs/dbraw/zinc/58/13/38/1070581338.db2.gz AEXBHRSWEHVEBT-LLVKDONJSA-N -1 1 451.339 3.569 20 0 JHADMM Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001309210391 1070610253 /nfs/dbraw/zinc/61/02/53/1070610253.db2.gz OFBYSYPPSRBRPG-JTQLQIEISA-N -1 1 452.421 3.504 20 0 JHADMM CC(C)Oc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC001309213415 1070612300 /nfs/dbraw/zinc/61/23/00/1070612300.db2.gz PNXLHBADSDEZHV-LBPRGKRZSA-N -1 1 454.795 3.963 20 0 JHADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccccc1)c1cc(Cl)c(Cl)cc1Br ZINC001309223146 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3.625 20 0 JHADMM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC001309662681 1070909778 /nfs/dbraw/zinc/90/97/78/1070909778.db2.gz AAZBPNFTJOYOPJ-QPUJVOFHSA-N -1 1 457.733 3.956 20 0 JHADMM CNC(=O)CC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCCCC1 ZINC001309707681 1070933708 /nfs/dbraw/zinc/93/37/08/1070933708.db2.gz GEHNIUKLKKIXNG-UHFFFAOYSA-N -1 1 455.777 3.607 20 0 JHADMM CC(C)(C[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)CC(F)(F)F ZINC001309708874 1070934645 /nfs/dbraw/zinc/93/46/45/1070934645.db2.gz QDIFGRXRZXNKJJ-HSZRJFAPSA-N -1 1 451.330 3.719 20 0 JHADMM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c(Br)c1 ZINC001309840764 1070992697 /nfs/dbraw/zinc/99/26/97/1070992697.db2.gz HUYBCVFIYXSPQK-JGVFFNPUSA-N -1 1 451.102 3.997 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)c(F)c1 ZINC001309883904 1071005308 /nfs/dbraw/zinc/00/53/08/1071005308.db2.gz PTZBNKUNBRODKS-OXJNMPFZSA-N -1 1 454.589 3.934 20 0 JHADMM 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DBPYVKSJNFXFFD-VWLOTQADSA-N -1 1 488.654 3.877 20 0 JHADMM O=C(C[C@H]1COC(=O)C1)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001306302808 1068718852 /nfs/dbraw/zinc/71/88/52/1068718852.db2.gz QVXPBSBTECFAKA-GFCCVEGCSA-N -1 1 456.492 3.694 20 0 JHADMM Cc1ccnn1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001306302437 1068718893 /nfs/dbraw/zinc/71/88/93/1068718893.db2.gz MLNVTWLFKDBILI-UHFFFAOYSA-N -1 1 452.508 3.946 20 0 JHADMM CCOC(=O)Cc1cccc(N(C)C(=O)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)c1 ZINC001310741059 1069144747 /nfs/dbraw/zinc/14/47/47/1069144747.db2.gz WTQSOPZXMFOENB-UHFFFAOYSA-N -1 1 451.445 3.947 20 0 JHADMM Cc1ccc(NC(=O)N[C@@](C)(CO)c2cccc(O)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310800796 1069169057 /nfs/dbraw/zinc/16/90/57/1069169057.db2.gz LRWLBKDDJPKJLP-QHCPKHFHSA-N -1 1 455.536 3.531 20 0 JHADMM Cc1ccc(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310800068 1069169091 /nfs/dbraw/zinc/16/90/91/1069169091.db2.gz HPHOGPZOIGYBNE-BSRJHKFKSA-N -1 1 459.568 3.596 20 0 JHADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000008685478 562952400 /nfs/dbraw/zinc/95/24/00/562952400.db2.gz QBPCCIMUDKGFNM-UHFFFAOYSA-N -1 1 471.529 3.724 20 0 JHADMM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164912113 721738402 /nfs/dbraw/zinc/73/84/02/721738402.db2.gz LPSCCYPMRASOBU-SFHVURJKSA-N -1 1 473.858 3.506 20 0 JHADMM CC[C@@](C)(CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])C1OCCO1 ZINC001306659577 1069377136 /nfs/dbraw/zinc/37/71/36/1069377136.db2.gz GNEQVJYGTAYZDB-RLWLMLJZSA-N -1 1 454.567 3.836 20 0 JHADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCOc3ccc4ccccc4c3)c2)n1 ZINC001311560596 1069438719 /nfs/dbraw/zinc/43/87/19/1069438719.db2.gz RCROEWGKOVBILP-UHFFFAOYSA-N -1 1 459.506 3.680 20 0 JHADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)NCc1cccc(OCC(F)F)c1)C(F)(F)F ZINC001311835902 1069571258 /nfs/dbraw/zinc/57/12/58/1069571258.db2.gz VSFMMTODXXOTNH-HNNXBMFYSA-N -1 1 457.399 3.650 20 0 JHADMM 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CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H](c3ccc(C)o3)C(F)(F)F)c2)n1 ZINC001310935416 1069227191 /nfs/dbraw/zinc/22/71/91/1069227191.db2.gz FYXMNQBHSKPQQP-OAHLLOKOSA-N -1 1 451.405 3.653 20 0 JHADMM COc1cccc(Nc2ccc(NC(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)nc2)c1 ZINC001311006107 1069245811 /nfs/dbraw/zinc/24/58/11/1069245811.db2.gz WNCWMQAURLSYHK-UHFFFAOYSA-N -1 1 451.449 3.756 20 0 JHADMM O=S(=O)([N-]c1cccc(F)c1)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908596 721560052 /nfs/dbraw/zinc/56/00/52/721560052.db2.gz QUNWKXPUJFTWKW-IRLDBZIGSA-N -1 1 486.544 3.503 20 0 JHADMM C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)Nc2nc(Cl)ccc2[O-])C[C@H](C)O1 ZINC001306825230 1069645790 /nfs/dbraw/zinc/64/57/90/1069645790.db2.gz AZUSIDWYIIIPAK-STQMWFEESA-N -1 1 459.959 3.728 20 0 JHADMM COC(=O)c1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001306830487 1069648284 /nfs/dbraw/zinc/64/82/84/1069648284.db2.gz AYLPHZNGOJQCNT-UHFFFAOYSA-N -1 1 458.923 3.857 20 0 JHADMM CO[C@H](C)c1nsc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)n1 ZINC001306841255 1069654275 /nfs/dbraw/zinc/65/42/75/1069654275.db2.gz SSRUPORGKPLBEJ-GFCCVEGCSA-N -1 1 450.517 3.746 20 0 JHADMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC001306897846 1069677885 /nfs/dbraw/zinc/67/78/85/1069677885.db2.gz DLWSGSKSZPYQOR-MAODMQOUSA-N -1 1 467.566 3.522 20 0 JHADMM C[C@@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1nc(C(C)(C)C)no1 ZINC001312153083 1069751321 /nfs/dbraw/zinc/75/13/21/1069751321.db2.gz MJEFIQICMNYRGB-CHWSQXEVSA-N -1 1 453.465 3.810 20 0 JHADMM COCC1(CNC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC001312790977 1070121667 /nfs/dbraw/zinc/12/16/67/1070121667.db2.gz LDEPVUCGGVEUGR-RTBURBONSA-N -1 1 455.521 3.830 20 0 JHADMM O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001313047166 1070234573 /nfs/dbraw/zinc/23/45/73/1070234573.db2.gz LWTXJROFIJZNEZ-DEOSSOPVSA-N -1 1 452.551 3.892 20 0 JHADMM 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GMZUAZPBNVDIGG-LJQANCHMSA-N -1 1 453.919 3.614 20 0 JHADMM CCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)CC(C)C ZINC001309653721 1070905088 /nfs/dbraw/zinc/90/50/88/1070905088.db2.gz LKMRTUYQPCKTTG-LBPRGKRZSA-N -1 1 454.372 3.674 20 0 JHADMM O=C([N-]CC[C@H]1CN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)c2ccccc21)C(F)(F)F ZINC001309779777 1070964510 /nfs/dbraw/zinc/96/45/10/1070964510.db2.gz KXXGRLIGDHJWDP-NWDGAFQWSA-N -1 1 459.317 3.573 20 0 JHADMM O=C([N-]CC[C@@H]1CN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)c2ccccc21)C(F)(F)F ZINC001309779779 1070965177 /nfs/dbraw/zinc/96/51/77/1070965177.db2.gz KXXGRLIGDHJWDP-VXGBXAGGSA-N -1 1 459.317 3.573 20 0 JHADMM COc1ccc(NC(=O)NCc2ccc(COc3ccccc3)cc2)cc1[N-]S(C)(=O)=O ZINC001310355583 1071334395 /nfs/dbraw/zinc/33/43/95/1071334395.db2.gz QCVJPVQZJXJMBP-UHFFFAOYSA-N -1 1 455.536 3.967 20 0 JHADMM O=C(NC[C@@]1(O)CCCc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001310474069 1071416231 /nfs/dbraw/zinc/41/62/31/1071416231.db2.gz CBKOAARUXHOCQP-DEOSSOPVSA-N -1 1 451.548 3.833 20 0 JHADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ncc(Cc4ccccc4F)s3)CC2)n1 ZINC001310691240 1069114056 /nfs/dbraw/zinc/11/40/56/1069114056.db2.gz CBENRNFJZVHQAM-UHFFFAOYSA-N -1 1 458.519 3.579 20 0 JHADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)N3CCC4(CC3)COCCO4)ccc2C)c1 ZINC001310798321 1069167682 /nfs/dbraw/zinc/16/76/82/1069167682.db2.gz JHKKHPHZXBHWCG-UHFFFAOYSA-N -1 1 459.568 3.518 20 0 JHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3CCC(O)(C(F)F)CC3)c2)c1 ZINC001310798177 1069167738 /nfs/dbraw/zinc/16/77/38/1069167738.db2.gz HWNMXLYPYKVHRL-UHFFFAOYSA-N -1 1 453.511 3.728 20 0 JHADMM CNC(=O)C1CCC(NC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC001310798878 1069168245 /nfs/dbraw/zinc/16/82/45/1069168245.db2.gz YRFPZWHODVGOTQ-UHFFFAOYSA-N -1 1 458.584 3.531 20 0 JHADMM CCOC(=O)[C@@H](C)C1CN(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC001310798803 1069168425 /nfs/dbraw/zinc/16/84/25/1069168425.db2.gz WUZZBNMIZHMUGW-KRWDZBQOSA-N -1 1 459.568 3.767 20 0 JHADMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1 ZINC001306553397 1069219278 /nfs/dbraw/zinc/21/92/78/1069219278.db2.gz NVWHHBLSKLZVLQ-OAHLLOKOSA-N -1 1 457.939 3.898 20 0 JHADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H](c3ccc(C)o3)C(F)(F)F)c2)n1 ZINC001310935414 1069227117 /nfs/dbraw/zinc/22/71/17/1069227117.db2.gz FYXMNQBHSKPQQP-HNNXBMFYSA-N -1 1 451.405 3.653 20 0 JHADMM Cc1cccn2c(NC(=O)NCc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)cnc12 ZINC001310998981 1069244749 /nfs/dbraw/zinc/24/47/49/1069244749.db2.gz WZCWZZBYGFAPTH-UHFFFAOYSA-N -1 1 453.499 3.904 20 0 JHADMM CC1(C)[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)[C@@H]2CCO[C@H]21 ZINC001306632956 1069334946 /nfs/dbraw/zinc/33/49/46/1069334946.db2.gz FZFYZBBPGWCVGN-KFKAGJAMSA-N -1 1 452.935 3.823 20 0 JHADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H]3CCSc4c(F)cccc43)c2)n1 ZINC001311591331 1069454241 /nfs/dbraw/zinc/45/42/41/1069454241.db2.gz UYJXMOXHDFRNSA-KRWDZBQOSA-N -1 1 455.515 3.824 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC001311696089 1069508550 /nfs/dbraw/zinc/50/85/50/1069508550.db2.gz NEPLFEIYLDUKQO-RDJZCZTQSA-N -1 1 469.504 3.858 20 0 JHADMM CCCCOc1ncccc1CNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001311708734 1069512751 /nfs/dbraw/zinc/51/27/51/1069512751.db2.gz QSLZUGSWAWQKTJ-KRWDZBQOSA-N -1 1 450.461 3.580 20 0 JHADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC001311750702 1069532745 /nfs/dbraw/zinc/53/27/45/1069532745.db2.gz SLNSHHALUGGOOQ-NRFANRHFSA-N -1 1 454.493 3.558 20 0 JHADMM C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)Nc2nc(Cl)ccc2[O-])C[C@H](C)O1 ZINC001306825228 1069645726 /nfs/dbraw/zinc/64/57/26/1069645726.db2.gz AZUSIDWYIIIPAK-BETUJISGSA-N -1 1 459.959 3.728 20 0 JHADMM CCn1ccnc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001306841809 1069655728 /nfs/dbraw/zinc/65/57/28/1069655728.db2.gz DVWRDFAPVOAPCA-CYBMUJFWSA-N -1 1 450.923 3.987 20 0 JHADMM C[C@H](CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])NC(=O)OC(C)(C)C ZINC001306883077 1069672595 /nfs/dbraw/zinc/67/25/95/1069672595.db2.gz VIBLRKAPCDXXNK-OXQOHEQNSA-N -1 1 455.555 3.522 20 0 JHADMM C[C@@H](CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)Oc1cccc(Cl)c1 ZINC001312088223 1069713517 /nfs/dbraw/zinc/71/35/17/1069713517.db2.gz UANYSKACLPPEEM-XJKSGUPXSA-N -1 1 455.864 3.927 20 0 JHADMM CO[C@H](CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC001312097531 1069719679 /nfs/dbraw/zinc/71/96/79/1069719679.db2.gz QWKXYJOBINJHTK-SJLPKXTDSA-N -1 1 455.864 3.847 20 0 JHADMM CCC1(CC)[C@H](NC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)C[C@@H]1OC ZINC001312351667 1069880152 /nfs/dbraw/zinc/88/01/52/1069880152.db2.gz ZXRWIRUHSLKKKO-OKYOBFRVSA-N -1 1 473.511 3.965 20 0 JHADMM COc1ccc(C=C2N=C(SCc3nn[n-]n3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC001307235989 1069910147 /nfs/dbraw/zinc/91/01/47/1069910147.db2.gz DDKIBWHNWCFHHA-CXUHLZMHSA-N -1 1 456.915 3.547 20 0 JHADMM 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CCOC(=O)N[C@H](CC(C)C)Cn1c(C)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001314027656 1071793084 /nfs/dbraw/zinc/79/30/84/1071793084.db2.gz LKVKGOVIGDZSKG-HXUWFJFHSA-N -1 1 457.575 3.552 20 0 JHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)c2)c1 ZINC001310797755 1069167280 /nfs/dbraw/zinc/16/72/80/1069167280.db2.gz CPKFQAQSSFGICV-XZOQPEGZSA-N -1 1 451.548 3.884 20 0 JHADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3c(C)c4ccccc4nc3SC)CC2)n1 ZINC001311045623 1069256818 /nfs/dbraw/zinc/25/68/18/1069256818.db2.gz IAZUTPSVJPLLPO-UHFFFAOYSA-N -1 1 454.556 3.971 20 0 JHADMM CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001306651761 1069363033 /nfs/dbraw/zinc/36/30/33/1069363033.db2.gz LHAJDFRTRDAECF-UHFFFAOYSA-N -1 1 458.554 3.719 20 0 JHADMM Cn1c2ccccc2nc1[C@@H](NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001311825943 1069563573 /nfs/dbraw/zinc/56/35/73/1069563573.db2.gz KIRSMQCMDOTKBH-PGRDOPGGSA-N -1 1 459.472 3.515 20 0 JHADMM Cn1cc(-c2cncc(C(=O)Nc3cc([O-])c(Br)cc3Br)c2)cn1 ZINC001306853834 1069660186 /nfs/dbraw/zinc/66/01/86/1069660186.db2.gz HCZRGGFDIOIDAK-UHFFFAOYSA-N -1 1 452.106 3.965 20 0 JHADMM CC[C@@H](CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)Oc1ccccc1F ZINC001312180396 1069768340 /nfs/dbraw/zinc/76/83/40/1069768340.db2.gz NJLNBCSGUKVDSK-CVEARBPZSA-N -1 1 453.436 3.803 20 0 JHADMM CC(C)CC[C@](C)(O)CNC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001312264872 1069822599 /nfs/dbraw/zinc/82/25/99/1069822599.db2.gz REEUHTHMYOOOIG-QFIPXVFZSA-N -1 1 451.564 3.613 20 0 JHADMM COc1ccc([C@@H](NC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c2ccccc2OC)cc1 ZINC001312337072 1069871556 /nfs/dbraw/zinc/87/15/56/1069871556.db2.gz VDMMLFXKCQDWFL-MFMILTCTSA-N -1 1 479.499 3.892 20 0 JHADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)Cc3ccccc3C(F)(F)F)CC2)n1 ZINC001312361794 1069888308 /nfs/dbraw/zinc/88/83/08/1069888308.db2.gz DXGUOLPPRUTKCZ-ZDUSSCGKSA-N -1 1 453.465 3.520 20 0 JHADMM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001312386119 1069901421 /nfs/dbraw/zinc/90/14/21/1069901421.db2.gz SQGWLUKOORMNQD-MPTQWLOMSA-N -1 1 480.325 3.624 20 0 JHADMM CCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001314235696 1069931205 /nfs/dbraw/zinc/93/12/05/1069931205.db2.gz YSIFXBMOGIDOFU-UHFFFAOYSA-N -1 1 482.551 3.604 20 0 JHADMM C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001307961293 1070259079 /nfs/dbraw/zinc/25/90/79/1070259079.db2.gz VAOCFDVSZOYGTN-INMHGKMJSA-N -1 1 469.504 3.834 20 0 JHADMM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1cc(Cl)c(Br)cc1F ZINC001308992906 1070472477 /nfs/dbraw/zinc/47/24/77/1070472477.db2.gz KCJNSSOMVNQIIP-CQSZACIVSA-N -1 1 451.745 3.950 20 0 JHADMM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC001309007934 1070479639 /nfs/dbraw/zinc/47/96/39/1070479639.db2.gz WYLHKSOCDPVHOY-UHFFFAOYSA-N -1 1 451.488 3.727 20 0 JHADMM 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/nfs/dbraw/zinc/73/77/07/1070737707.db2.gz SNICQLXCULTQHN-SECBINFHSA-N -1 1 453.742 3.577 20 0 JHADMM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC001309408052 1070751226 /nfs/dbraw/zinc/75/12/26/1070751226.db2.gz MLCDTKYQXNBOJF-GFCCVEGCSA-N -1 1 453.185 3.946 20 0 JHADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc2ccccc2cc1C(=O)OC)c1cccc(C)c1C ZINC001309426226 1070763043 /nfs/dbraw/zinc/76/30/43/1070763043.db2.gz MNYCIKQMSHBSKE-JOCHJYFZSA-N -1 1 455.532 3.826 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)c2ccc(SC)cc2)c(OC)c1 ZINC001309432746 1070766833 /nfs/dbraw/zinc/76/68/33/1070766833.db2.gz WZSCISWSLQEDET-CQSZACIVSA-N -1 1 458.627 3.608 20 0 JHADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCN(c2ccccc2)C1 ZINC001309464996 1070786942 /nfs/dbraw/zinc/78/69/42/1070786942.db2.gz QZUQTJMBFVTNRI-AWEZNQCLSA-N -1 1 457.379 3.975 20 0 JHADMM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1cnc(Cl)cc1C(F)(F)F ZINC001309526557 1070829420 /nfs/dbraw/zinc/82/94/20/1070829420.db2.gz YFJXPIRXQJQHII-UHFFFAOYSA-N -1 1 452.857 3.963 20 0 JHADMM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)c1 ZINC001309586342 1070870288 /nfs/dbraw/zinc/87/02/88/1070870288.db2.gz LXVSQAVIBHQXPL-LNUQYATJSA-N -1 1 473.414 3.553 20 0 JHADMM CC(C)(C[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)CC(F)(F)F ZINC001309708875 1070934688 /nfs/dbraw/zinc/93/46/88/1070934688.db2.gz QDIFGRXRZXNKJJ-QHCPKHFHSA-N -1 1 451.330 3.719 20 0 JHADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(C(F)(F)F)c2)c1 ZINC001309729822 1070942740 /nfs/dbraw/zinc/94/27/40/1070942740.db2.gz YZNTUBCUODRMBN-UHFFFAOYSA-N -1 1 456.398 3.751 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)c(F)c1 ZINC001309883902 1071004389 /nfs/dbraw/zinc/00/43/89/1071004389.db2.gz PTZBNKUNBRODKS-JXFKEZNVSA-N -1 1 454.589 3.934 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)c(F)c1 ZINC001309883909 1071005082 /nfs/dbraw/zinc/00/50/82/1071005082.db2.gz PTZBNKUNBRODKS-UZLBHIALSA-N -1 1 454.589 3.934 20 0 JHADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC001309887511 1071006117 /nfs/dbraw/zinc/00/61/17/1071006117.db2.gz VLPMQAQZSURRFG-WDEREUQCSA-N -1 1 469.348 3.699 20 0 JHADMM COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC[C@@H](C)c2ccccc21 ZINC001309951782 1071026466 /nfs/dbraw/zinc/02/64/66/1071026466.db2.gz BTJNPLXDLSAYJD-LRTDBIEQSA-N -1 1 450.944 3.543 20 0 JHADMM CO[C@H](CS(=O)(=O)[N-]C[C@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(F)cc1 ZINC001309969638 1071032151 /nfs/dbraw/zinc/03/21/51/1071032151.db2.gz VBAAZGRSZOCMRH-SJORKVTESA-N -1 1 455.857 3.536 20 0 JHADMM CC(=O)Nc1ccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC001310099235 1071117442 /nfs/dbraw/zinc/11/74/42/1071117442.db2.gz FLBQMWYINGUQDE-UHFFFAOYSA-N -1 1 456.499 3.907 20 0 JHADMM COc1ccc(NC(=O)NCCOc2ccccc2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC001310354265 1071332695 /nfs/dbraw/zinc/33/26/95/1071332695.db2.gz CAAXLRAIERUUSO-UHFFFAOYSA-N -1 1 455.536 3.934 20 0 JHADMM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC001310355166 1071333950 /nfs/dbraw/zinc/33/39/50/1071333950.db2.gz NWZUVYJLFAYQQJ-LBPRGKRZSA-N -1 1 457.936 3.778 20 0 JHADMM CCOC(=O)N[C@@H](CC(C)C)Cn1c(C)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001314027655 1071793243 /nfs/dbraw/zinc/79/32/43/1071793243.db2.gz LKVKGOVIGDZSKG-FQEVSTJZSA-N -1 1 457.575 3.552 20 0 JHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H]3CCN(C(C)(C)C)C3=O)c2)c1 ZINC001310798272 1069167841 /nfs/dbraw/zinc/16/78/41/1069167841.db2.gz ITJVLHIBNSQZOI-LJQANCHMSA-N -1 1 458.584 3.625 20 0 JHADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC001311750703 1069532553 /nfs/dbraw/zinc/53/25/53/1069532553.db2.gz SLNSHHALUGGOOQ-OAQYLSRUSA-N -1 1 454.493 3.558 20 0 JHADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)NCc1ccc(Br)cc1)C(F)(F)F ZINC001311915052 1069610912 /nfs/dbraw/zinc/61/09/12/1069610912.db2.gz XMEYFBFHNHFJAQ-OAHLLOKOSA-N -1 1 456.262 3.769 20 0 JHADMM C[C@H]1C[C@H](CO)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001306858701 1069663628 /nfs/dbraw/zinc/66/36/28/1069663628.db2.gz NSTZISYANHNCTE-KBPBESRZSA-N -1 1 457.379 3.885 20 0 JHADMM C[C@@H]1C[C@H](CO)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001306858702 1069663687 /nfs/dbraw/zinc/66/36/87/1069663687.db2.gz NSTZISYANHNCTE-KGLIPLIRSA-N -1 1 457.379 3.885 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001306869458 1069667533 /nfs/dbraw/zinc/66/75/33/1069667533.db2.gz UXYVGLNNDSYAOG-VVLHAWIVSA-N -1 1 463.541 3.908 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001306869457 1069667637 /nfs/dbraw/zinc/66/76/37/1069667637.db2.gz UXYVGLNNDSYAOG-QAETUUGQSA-N -1 1 463.541 3.908 20 0 JHADMM CC(C)[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCS1 ZINC001312265647 1069823090 /nfs/dbraw/zinc/82/30/90/1069823090.db2.gz UKLSBZGNZLIWHI-FQEVSTJZSA-N -1 1 451.589 3.910 20 0 JHADMM C[C@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@@H](O)c1ccccc1 ZINC001312263884 1069820495 /nfs/dbraw/zinc/82/04/95/1069820495.db2.gz MLVNXHCAMZFCGY-KSFYIVLOSA-N -1 1 457.527 3.548 20 0 JHADMM CCOCc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCSC(F)(F)F ZINC001314325761 1070113172 /nfs/dbraw/zinc/11/31/72/1070113172.db2.gz ONPNBUUQHBXXAS-UHFFFAOYSA-N -1 1 458.506 3.873 20 0 JHADMM O=C([N-][C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001307947104 1070253927 /nfs/dbraw/zinc/25/39/27/1070253927.db2.gz MRYXSAHVODWTOX-AQNXPRMDSA-N -1 1 465.903 3.982 20 0 JHADMM CCOC(=O)c1cc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)c(F)cc1Cl ZINC001309055503 1070511386 /nfs/dbraw/zinc/51/13/86/1070511386.db2.gz CCSKAWPPOTXEFM-UHFFFAOYSA-N -1 1 456.923 3.851 20 0 JHADMM CC(C)(C)OC(=O)N(CCC[N-]S(=O)(=O)c1c(F)cccc1Br)C1CC1 ZINC001309060766 1070514587 /nfs/dbraw/zinc/51/45/87/1070514587.db2.gz SNEYTIUFJZWGDL-UHFFFAOYSA-N -1 1 451.358 3.656 20 0 JHADMM 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CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001306673192 1069398516 /nfs/dbraw/zinc/39/85/16/1069398516.db2.gz RALVKWXQMRNDBE-ZDUSSCGKSA-N -1 1 456.923 3.597 20 0 JHADMM C[C@@H](COc1ccccc1)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001311783857 1069544688 /nfs/dbraw/zinc/54/46/88/1069544688.db2.gz MOVHYQKJZCKKHS-KRWDZBQOSA-N -1 1 457.527 3.893 20 0 JHADMM C[C@H](O)[C@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1F ZINC001311835993 1069571081 /nfs/dbraw/zinc/57/10/81/1069571081.db2.gz WVSLOSPYGUQXNG-AOMKIAJQSA-N -1 1 457.527 3.548 20 0 JHADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)N[C@@H](CO)c1ccc(Cl)cc1 ZINC001311836267 1069571716 /nfs/dbraw/zinc/57/17/16/1069571716.db2.gz YMFVBJBDCFMLOC-NRFANRHFSA-N -1 1 459.955 3.674 20 0 JHADMM CCOC(=O)c1nc(CNC(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)n[n-]1 ZINC001306825925 1069645805 /nfs/dbraw/zinc/64/58/05/1069645805.db2.gz BAHKCUFYXKFTCI-UHFFFAOYSA-N -1 1 453.549 3.692 20 0 JHADMM CCOC(=O)c1n[n-]c(CNC(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)n1 ZINC001306825925 1069645809 /nfs/dbraw/zinc/64/58/09/1069645809.db2.gz BAHKCUFYXKFTCI-UHFFFAOYSA-N -1 1 453.549 3.692 20 0 JHADMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(=O)OC(C)(C)C ZINC001306864890 1069665594 /nfs/dbraw/zinc/66/55/94/1069665594.db2.gz OBNAOWIDKHQSIF-SFHVURJKSA-N -1 1 452.960 3.991 20 0 JHADMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC001306897845 1069677709 /nfs/dbraw/zinc/67/77/09/1069677709.db2.gz DLWSGSKSZPYQOR-HBGVWJBISA-N -1 1 467.566 3.522 20 0 JHADMM CO[C@@H](CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC001312097529 1069719649 /nfs/dbraw/zinc/71/96/49/1069719649.db2.gz QWKXYJOBINJHTK-AEFFLSMTSA-N -1 1 455.864 3.847 20 0 JHADMM CC(C)(C)Oc1ccccc1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001312111616 1069726339 /nfs/dbraw/zinc/72/63/39/1069726339.db2.gz WHXDPSHJAVRZOV-MJGOQNOKSA-N -1 1 471.520 3.622 20 0 JHADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@@H](C)Oc3ccccc3Cl)c2)n1 ZINC001312114220 1069726822 /nfs/dbraw/zinc/72/68/22/1069726822.db2.gz VGDUUZALDJFOCL-CQSZACIVSA-N -1 1 457.918 3.569 20 0 JHADMM CC[C@@H]1Oc2cc([C@H](C)NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)ccc2NC1=O ZINC001312136709 1069742206 /nfs/dbraw/zinc/74/22/06/1069742206.db2.gz YBYVZMYWXPVSTN-BTYIYWSLSA-N -1 1 451.523 3.867 20 0 JHADMM O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001312443022 1069940420 /nfs/dbraw/zinc/94/04/20/1069940420.db2.gz LUGKBVDTHPRNME-HXUWFJFHSA-N -1 1 459.905 3.595 20 0 JHADMM CCOCc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001314325638 1070112539 /nfs/dbraw/zinc/11/25/39/1070112539.db2.gz NAMOFXHLEUUBQU-YKSBVNFPSA-N -1 1 456.587 3.681 20 0 JHADMM COc1ccc([C@@H]2CCN(C(=O)N[C@@H]3C[C@@]3(C)C(C)C)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001312834631 1070146518 /nfs/dbraw/zinc/14/65/18/1070146518.db2.gz XXXXFCDBVLPUMO-USOFNBIVSA-N -1 1 459.484 3.815 20 0 JHADMM CC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001307947705 1070254763 /nfs/dbraw/zinc/25/47/63/1070254763.db2.gz SRDYQAMIBZVCSF-NYSBEXSLSA-N -1 1 461.484 3.753 20 0 JHADMM O=C([N-]C[C@@H]1Cc2ccccc2N1Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)(F)F ZINC001308825660 1070443392 /nfs/dbraw/zinc/44/33/92/1070443392.db2.gz MATZNFCLBFRIIH-HNNXBMFYSA-N -1 1 453.827 3.670 20 0 JHADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001309022323 1070489015 /nfs/dbraw/zinc/48/90/15/1070489015.db2.gz JRDAXVBEQGXHGU-HXUWFJFHSA-N -1 1 459.593 3.903 20 0 JHADMM C[S@](=O)(=NS(=O)(=O)[N-]CC1(c2ccc3c(c2)OCCO3)CCCC1)C1CCCCC1 ZINC001309049257 1070507791 /nfs/dbraw/zinc/50/77/91/1070507791.db2.gz TXCOXNIFJGIJFV-GDLZYMKVSA-N -1 1 456.630 3.535 20 0 JHADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cccc(OCC(F)F)c1 ZINC001309143302 1070565209 /nfs/dbraw/zinc/56/52/09/1070565209.db2.gz YLJPULYMLFKSPU-UHFFFAOYSA-N -1 1 454.278 3.902 20 0 JHADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)c(F)cc1Br ZINC001309157986 1070575290 /nfs/dbraw/zinc/57/52/90/1070575290.db2.gz SACJIQVTGWPQNM-SNVBAGLBSA-N -1 1 450.351 3.736 20 0 JHADMM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F ZINC001309229540 1070628527 /nfs/dbraw/zinc/62/85/27/1070628527.db2.gz YVQLWVZOTLXYMO-CQSZACIVSA-N -1 1 457.365 3.767 20 0 JHADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)nc1C ZINC001309263207 1070653922 /nfs/dbraw/zinc/65/39/22/1070653922.db2.gz RJUXJTWTOIMVBZ-UHFFFAOYSA-N -1 1 453.767 3.523 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)c(F)c1 ZINC001309270192 1070658986 /nfs/dbraw/zinc/65/89/86/1070658986.db2.gz HKFPJVDOKFCIIU-UHFFFAOYSA-N -1 1 452.573 3.998 20 0 JHADMM Cn1cc(S(=O)(=O)[N-]CCOc2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)n1 ZINC001309277633 1070664157 /nfs/dbraw/zinc/66/41/57/1070664157.db2.gz KPYPBMHOYZJHOC-UHFFFAOYSA-N -1 1 452.669 3.756 20 0 JHADMM CC(C)(C[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccccc1Br ZINC001309328246 1070702253 /nfs/dbraw/zinc/70/22/53/1070702253.db2.gz YORQMGBLYXQTMM-DEOSSOPVSA-N -1 1 451.452 3.992 20 0 JHADMM Cn1ncc(S(=O)(=O)[N-]Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1C(F)(F)F ZINC001309382479 1070736519 /nfs/dbraw/zinc/73/65/19/1070736519.db2.gz GWMLGFKAISIMNL-CYBMUJFWSA-N -1 1 456.515 3.646 20 0 JHADMM O=C1NCCc2ccc(S(=O)(=O)[N-][C@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc21 ZINC001309392800 1070742280 /nfs/dbraw/zinc/74/22/80/1070742280.db2.gz AXFZALNITXZJJH-OAHLLOKOSA-N -1 1 452.376 3.573 20 0 JHADMM CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1sccc1Br ZINC001309421689 1070760313 /nfs/dbraw/zinc/76/03/13/1070760313.db2.gz LKJXTSKAMPTWFX-CYBMUJFWSA-N -1 1 452.779 3.617 20 0 JHADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCN(c2ccccc2)C1 ZINC001309464997 1070786807 /nfs/dbraw/zinc/78/68/07/1070786807.db2.gz QZUQTJMBFVTNRI-CQSZACIVSA-N -1 1 457.379 3.975 20 0 JHADMM O=C(c1cc(Cl)c[nH]1)N1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC001309480198 1070797057 /nfs/dbraw/zinc/79/70/57/1070797057.db2.gz DRPGGBKISLLBMO-UHFFFAOYSA-N -1 1 454.738 3.697 20 0 JHADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2nc(-c3ccccn3)cs2)c1F ZINC001309773879 1070962475 /nfs/dbraw/zinc/96/24/75/1070962475.db2.gz MDKAAJGQSUMADU-UHFFFAOYSA-N -1 1 458.334 3.594 20 0 JHADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1nc(-c2ccncc2)cs1 ZINC001309829920 1070987973 /nfs/dbraw/zinc/98/79/73/1070987973.db2.gz QUQLMAYNMJXKBF-UHFFFAOYSA-N -1 1 458.348 3.777 20 0 JHADMM CC(C)(C)OC(=O)N1CC[C@@]2([N-]S(=O)(=O)c3ccc(F)c(Br)c3F)CCC[C@@H]12 ZINC001309969004 1071031940 /nfs/dbraw/zinc/03/19/40/1071031940.db2.gz QKMROJYCRLBORP-ACJLOTCBSA-N -1 1 481.359 3.938 20 0 JHADMM CO[C@H](CS(=O)(=O)[N-]C[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(F)cc1 ZINC001309969634 1071032099 /nfs/dbraw/zinc/03/20/99/1071032099.db2.gz VBAAZGRSZOCMRH-IAGOWNOFSA-N -1 1 455.857 3.536 20 0 JHADMM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001310156332 1071161364 /nfs/dbraw/zinc/16/13/64/1071161364.db2.gz YKKMCWIQLLZLTQ-OAHLLOKOSA-N -1 1 454.493 3.624 20 0 JHADMM CCOC(=O)Cc1cccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC001310350162 1071330537 /nfs/dbraw/zinc/33/05/37/1071330537.db2.gz HGJBMJITYRBBIB-WOJBJXKFSA-N -1 1 477.483 3.861 20 0 JHADMM COc1ccc(NC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[N-]S(C)(=O)=O ZINC001310358660 1071336683 /nfs/dbraw/zinc/33/66/83/1071336683.db2.gz HNORBIXZHGPFCQ-HUUCEWRRSA-N -1 1 457.556 3.791 20 0 JHADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)n1 ZINC001310455020 1071399311 /nfs/dbraw/zinc/39/93/11/1071399311.db2.gz KZUNWOUXIBBTDQ-UHFFFAOYSA-N -1 1 456.728 3.809 20 0 JHADMM COCCCN(Cc1ccncc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001310475278 1071417050 /nfs/dbraw/zinc/41/70/50/1071417050.db2.gz LUTDTKSYKJRUMB-UHFFFAOYSA-N -1 1 454.552 3.953 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001310739655 1069143712 /nfs/dbraw/zinc/14/37/12/1069143712.db2.gz IYGNFIYMXVADNM-HXUWFJFHSA-N -1 1 458.481 3.695 20 0 JHADMM Cc1ccc(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310800069 1069169019 /nfs/dbraw/zinc/16/90/19/1069169019.db2.gz HPHOGPZOIGYBNE-IUKKYPGJSA-N -1 1 459.568 3.596 20 0 JHADMM Cc1ccc(NC(=O)N2CC=C(c3ccnn3C)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310802522 1069169777 /nfs/dbraw/zinc/16/97/77/1069169777.db2.gz ZMIHLPNSTWHRDI-UHFFFAOYSA-N -1 1 451.552 3.851 20 0 JHADMM COC(=O)c1ccnc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)c1 ZINC001306586365 1069253482 /nfs/dbraw/zinc/25/34/82/1069253482.db2.gz YZQQEAFPFOCCGQ-UHFFFAOYSA-N -1 1 459.911 3.883 20 0 JHADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3cccc(Oc4ccccc4)c3)ns2)co1 ZINC001306599854 1069275581 /nfs/dbraw/zinc/27/55/81/1069275581.db2.gz DUEINMWRANYZCJ-UHFFFAOYSA-N -1 1 456.505 3.751 20 0 JHADMM CC1(C)[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)[C@@H]2CCO[C@@H]21 ZINC001306632955 1069335100 /nfs/dbraw/zinc/33/51/00/1069335100.db2.gz FZFYZBBPGWCVGN-IPELMVKDSA-N -1 1 452.935 3.823 20 0 JHADMM Cc1cccc2c1OC[C@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C2 ZINC001311835547 1069570760 /nfs/dbraw/zinc/57/07/60/1069570760.db2.gz TYEOWJUQXYCAKF-HXUWFJFHSA-N -1 1 451.548 3.599 20 0 JHADMM O=C(Nc1c[nH]nc1Cl)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001306831742 1069649104 /nfs/dbraw/zinc/64/91/04/1069649104.db2.gz KYZXKSXQNVTIOK-UHFFFAOYSA-N -1 1 455.721 3.879 20 0 JHADMM CCn1cc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)cn1 ZINC001306842104 1069655645 /nfs/dbraw/zinc/65/56/45/1069655645.db2.gz KKJOGSYUWDQHSD-CYBMUJFWSA-N -1 1 450.923 3.987 20 0 JHADMM CO[C@@H](C)c1nsc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)n1 ZINC001306841256 1069654278 /nfs/dbraw/zinc/65/42/78/1069654278.db2.gz SSRUPORGKPLBEJ-LBPRGKRZSA-N -1 1 450.517 3.746 20 0 JHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H](c3ncccn3)C2)c1 ZINC001306897266 1069677752 /nfs/dbraw/zinc/67/77/52/1069677752.db2.gz GMSXTTJJEZTWFC-GOSISDBHSA-N -1 1 454.527 3.745 20 0 JHADMM CC(C)COC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001306886656 1069673887 /nfs/dbraw/zinc/67/38/87/1069673887.db2.gz GRKKWNTXHWJFAP-ZDUSSCGKSA-N -1 1 456.923 3.597 20 0 JHADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H](c3ccc(F)cc3F)C3CC3)c2)n1 ZINC001312127129 1069734913 /nfs/dbraw/zinc/73/49/13/1069734913.db2.gz VWJGMLREOSARSU-IBGZPJMESA-N -1 1 455.465 3.877 20 0 JHADMM CC1(C)[C@H](NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)[C@H]2CCCO[C@@H]21 ZINC001312137932 1069742829 /nfs/dbraw/zinc/74/28/29/1069742829.db2.gz KZCIIRNMOCFYKD-APAFKAMOSA-N -1 1 471.495 3.575 20 0 JHADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)NCCOc1ccc(Cl)c(F)c1)C(F)(F)F ZINC001312692922 1070084115 /nfs/dbraw/zinc/08/41/15/1070084115.db2.gz VEPAWSPCFGVZJI-CYBMUJFWSA-N -1 1 459.827 3.677 20 0 JHADMM CCOCc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CC1(CC)CCOCC1 ZINC001314325594 1070112524 /nfs/dbraw/zinc/11/25/24/1070112524.db2.gz MDJVIFBJWHBGST-UHFFFAOYSA-N -1 1 456.587 3.826 20 0 JHADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC001312940200 1070191048 /nfs/dbraw/zinc/19/10/48/1070191048.db2.gz FROYNGJDFMCKTJ-XZOQPEGZSA-N -1 1 457.596 3.977 20 0 JHADMM O=C([N-][C@H]1CN(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001312940127 1070191101 /nfs/dbraw/zinc/19/11/01/1070191101.db2.gz FHZNEMDAXPNOCN-VNTMZGSJSA-N -1 1 471.495 3.719 20 0 JHADMM COc1ccc2c(c1)C[C@H](CN1CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C1)O2 ZINC001307916071 1070238558 /nfs/dbraw/zinc/23/85/58/1070238558.db2.gz ZXZGVRXUARRQJW-AABGKKOBSA-N -1 1 452.448 3.674 20 0 JHADMM O=C(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)OCc1ccccc1 ZINC001308997106 1070474748 /nfs/dbraw/zinc/47/47/48/1070474748.db2.gz IAYBGZPGZHZMPZ-UHFFFAOYSA-N -1 1 453.141 3.778 20 0 JHADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001309022322 1070489067 /nfs/dbraw/zinc/48/90/67/1070489067.db2.gz JRDAXVBEQGXHGU-FQEVSTJZSA-N -1 1 459.593 3.903 20 0 JHADMM CCOC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)c(OC)c2)c(F)cc1Cl ZINC001309026377 1070492801 /nfs/dbraw/zinc/49/28/01/1070492801.db2.gz BLXKPSALADHDHQ-UHFFFAOYSA-N -1 1 459.923 3.930 20 0 JHADMM O=C([N-]CCCc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)C2CC2)cc1)C(F)(F)F ZINC001309080571 1070527638 /nfs/dbraw/zinc/52/76/38/1070527638.db2.gz BSIWBOBTBSOHSV-UHFFFAOYSA-N -1 1 458.477 3.790 20 0 JHADMM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]Cc3ccc(F)c(F)c3)c(Cl)c2o1 ZINC001309097436 1070538272 /nfs/dbraw/zinc/53/82/72/1070538272.db2.gz SVTUDIHJQVCHAB-UHFFFAOYSA-N -1 1 453.648 3.706 20 0 JHADMM O=C(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)Nc1cccc(F)c1 ZINC001309114678 1070547452 /nfs/dbraw/zinc/54/74/52/1070547452.db2.gz IDYJFSAGYSEDRT-UHFFFAOYSA-N -1 1 456.120 3.812 20 0 JHADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cccc(Br)c2)c1F ZINC001309115460 1070548252 /nfs/dbraw/zinc/54/82/52/1070548252.db2.gz IKGVEUQCUDMWMZ-UHFFFAOYSA-N -1 1 453.127 3.838 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCC2)c(OC)c1 ZINC001309164679 1070580760 /nfs/dbraw/zinc/58/07/60/1070580760.db2.gz WNSYVZJJJYBZAL-NRFANRHFSA-N -1 1 452.598 3.667 20 0 JHADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]Cc1ccc(Br)cc1 ZINC001309168259 1070581854 /nfs/dbraw/zinc/58/18/54/1070581854.db2.gz YNKKTLGHCGKPHO-DEOSSOPVSA-N -1 1 457.293 3.830 20 0 JHADMM O=S(=O)(Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(Br)o1 ZINC001309204158 1070605499 /nfs/dbraw/zinc/60/54/99/1070605499.db2.gz KJKHUVRJVBDGDS-UHFFFAOYSA-N -1 1 458.311 3.611 20 0 JHADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)c(F)cc1Br ZINC001309249751 1070644706 /nfs/dbraw/zinc/64/47/06/1070644706.db2.gz KLRAELZIMYVUEG-SNVBAGLBSA-N -1 1 450.351 3.593 20 0 JHADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)nc1C ZINC001309261136 1070653149 /nfs/dbraw/zinc/65/31/49/1070653149.db2.gz AYPOBYLRDJHXNW-UHFFFAOYSA-N -1 1 453.767 3.523 20 0 JHADMM C[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC001309267590 1070657634 /nfs/dbraw/zinc/65/76/34/1070657634.db2.gz QUQREMTXWOBEBA-UZLBHIALSA-N -1 1 454.514 3.864 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(Cc3ccccc3)CCC2)c(F)c1 ZINC001309292679 1070675258 /nfs/dbraw/zinc/67/52/58/1070675258.db2.gz GFQHFNADEJOPLM-UHFFFAOYSA-N -1 1 454.589 3.669 20 0 JHADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)c(F)cc1Cl ZINC001309300598 1070682016 /nfs/dbraw/zinc/68/20/16/1070682016.db2.gz LLHQDAFZRSPNQO-OAHLLOKOSA-N -1 1 451.944 3.691 20 0 JHADMM CCCOc1ccc(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1C(C)C ZINC001309456152 1070781261 /nfs/dbraw/zinc/78/12/61/1070781261.db2.gz HGWDHSOYMDVBLJ-UHFFFAOYSA-N -1 1 450.523 3.678 20 0 JHADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(c2ccc(Br)cc2Cl)CC1 ZINC001309526666 1070829221 /nfs/dbraw/zinc/82/92/21/1070829221.db2.gz PMFRZJVMIRMRHF-HSZRJFAPSA-N -1 1 457.843 3.865 20 0 JHADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c1F ZINC001309551588 1070850416 /nfs/dbraw/zinc/85/04/16/1070850416.db2.gz QRRVIYCMDQUTIB-ZDUSSCGKSA-N -1 1 452.729 3.652 20 0 JHADMM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1cc(Cl)c(Br)cc1F ZINC001309557703 1070854672 /nfs/dbraw/zinc/85/46/72/1070854672.db2.gz GEXVHJCGAZLTNS-UHFFFAOYSA-N -1 1 458.740 3.965 20 0 JHADMM O=S(=O)([N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cccc(Br)c1F ZINC001309691698 1070924930 /nfs/dbraw/zinc/92/49/30/1070924930.db2.gz IIZXNJAYWVLBQK-IAQYHMDHSA-N -1 1 454.239 3.801 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)c(F)c1 ZINC001309730289 1070942691 /nfs/dbraw/zinc/94/26/91/1070942691.db2.gz QMXPGEZIGIRTDZ-JCNLHEQBSA-N -1 1 458.602 3.579 20 0 JHADMM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)Cc1cc2c(cc1Br)OCO2)c1ccccc1 ZINC001309858226 1070998051 /nfs/dbraw/zinc/99/80/51/1070998051.db2.gz VGRIMCWILMPRGF-SFHVURJKSA-N -1 1 454.342 3.564 20 0 JHADMM CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC001309899081 1071009410 /nfs/dbraw/zinc/00/94/10/1071009410.db2.gz OFZSFMASMUUAAE-HUUCEWRRSA-N -1 1 458.367 3.857 20 0 JHADMM CCOCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001310248057 1071235339 /nfs/dbraw/zinc/23/53/39/1071235339.db2.gz XSNJFZGILXMXSU-ZDUSSCGKSA-N -1 1 451.873 3.678 20 0 JHADMM C[S@](=O)c1ccc(NC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1F ZINC001310304198 1071286611 /nfs/dbraw/zinc/28/66/11/1071286611.db2.gz CGDLWFSTKHCWFK-ICNDJQDOSA-N -1 1 457.449 3.767 20 0 JHADMM COc1ccc(NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc1[N-]S(C)(=O)=O ZINC001310354580 1071333730 /nfs/dbraw/zinc/33/37/30/1071333730.db2.gz FOUALBXGKDBWQL-UHFFFAOYSA-N -1 1 453.389 3.685 20 0 JHADMM Cn1cccc1-c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CC1(C)CCCC1 ZINC001314913734 1071354780 /nfs/dbraw/zinc/35/47/80/1071354780.db2.gz JTIDQRFBVVDOBF-UHFFFAOYSA-N -1 1 452.525 3.759 20 0 JHADMM COC(=O)c1ccc2c(c1)CN(C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccccc3)c1)C2 ZINC001310476618 1071419262 /nfs/dbraw/zinc/41/92/62/1071419262.db2.gz YMHASERWBRFWCU-UHFFFAOYSA-N -1 1 451.504 3.822 20 0 JHADMM CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001306044458 1068463529 /nfs/dbraw/zinc/46/35/29/1068463529.db2.gz GNBRPQYKUVHWDX-DWLFOUALSA-N -1 1 456.564 3.660 20 0 JHADMM Cc1ccc(C(=O)N2NC(=O)C[C@@H]2c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001306124197 1068532042 /nfs/dbraw/zinc/53/20/42/1068532042.db2.gz UVTGQITXICDFPE-HXUWFJFHSA-N -1 1 453.495 3.553 20 0 JHADMM CC(C)c1ccc(Cn2nccc2NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001310532363 1069003581 /nfs/dbraw/zinc/00/35/81/1069003581.db2.gz GWAZVAYONYPIPM-UHFFFAOYSA-N -1 1 451.493 3.977 20 0 JHADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)Nc1cccc(C2OCCO2)c1 ZINC001310668230 1069097665 /nfs/dbraw/zinc/09/76/65/1069097665.db2.gz KUODETNPCDVVMH-UHFFFAOYSA-N -1 1 453.520 3.855 20 0 JHADMM Cc1noc(-c2ccc(NC(=O)N3CC[C@H](c4ccccc4)[C@H]([N-]C(=O)C(F)(F)F)C3)cn2)n1 ZINC001310757704 1069152415 /nfs/dbraw/zinc/15/24/15/1069152415.db2.gz FCUDADWXYIMYHO-SJLPKXTDSA-N -1 1 474.443 3.509 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1cccc(COCc2ccco2)c1 ZINC001311361629 1069345192 /nfs/dbraw/zinc/34/51/92/1069345192.db2.gz WEMRTOQLZAFJSJ-KXBFYZLASA-N -1 1 453.461 3.737 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC001311745267 1069530639 /nfs/dbraw/zinc/53/06/39/1069530639.db2.gz UUWSLCPFSUCNCT-KXBFYZLASA-N -1 1 468.520 3.946 20 0 JHADMM C[C@H](O)CN(Cc1ccccc1)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001311835569 1069570622 /nfs/dbraw/zinc/57/06/22/1069570622.db2.gz UKHJGBJXPZZOKE-IBGZPJMESA-N -1 1 453.564 3.580 20 0 JHADMM O=C(NC[C@@H](O)CCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001306824915 1069645266 /nfs/dbraw/zinc/64/52/66/1069645266.db2.gz WABQJKKTHCITOM-NRFANRHFSA-N -1 1 458.967 3.864 20 0 JHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCc2cccc3c2CCOC3)c1 ZINC001306883529 1069672580 /nfs/dbraw/zinc/67/25/80/1069672580.db2.gz YCXLAXOHCPDMPE-UHFFFAOYSA-N -1 1 454.523 3.938 20 0 JHADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CCN1C(=O)OC(C)(C)C ZINC001306884297 1069673342 /nfs/dbraw/zinc/67/33/42/1069673342.db2.gz WRZOMJQOCZXTEI-TYCQWZJGSA-N -1 1 467.566 3.664 20 0 JHADMM C[C@@H](NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1nc(C(C)(C)C)no1 ZINC001312153084 1069751684 /nfs/dbraw/zinc/75/16/84/1069751684.db2.gz MJEFIQICMNYRGB-OLZOCXBDSA-N -1 1 453.465 3.810 20 0 JHADMM COc1cccc(-c2noc([C@H](C)NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)n2)c1 ZINC001312151694 1069750516 /nfs/dbraw/zinc/75/05/16/1069750516.db2.gz DCYXYPNJRUWXNH-HNNXBMFYSA-N -1 1 450.495 3.816 20 0 JHADMM CC[C@H](CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)Oc1ccccc1F ZINC001312180400 1069768313 /nfs/dbraw/zinc/76/83/13/1069768313.db2.gz NJLNBCSGUKVDSK-HZPDHXFCSA-N -1 1 453.436 3.803 20 0 JHADMM CCOc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001314205859 1069816410 /nfs/dbraw/zinc/81/64/10/1069816410.db2.gz LEABXHJCGGDXIO-HXUWFJFHSA-N -1 1 495.546 3.862 20 0 JHADMM CC(C)CC[C@@](C)(O)CNC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001312264871 1069821897 /nfs/dbraw/zinc/82/18/97/1069821897.db2.gz REEUHTHMYOOOIG-JOCHJYFZSA-N -1 1 451.564 3.613 20 0 JHADMM CCOCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1CSc2ccccc21 ZINC001314346879 1070153588 /nfs/dbraw/zinc/15/35/88/1070153588.db2.gz VPXXTFZVOHOLHW-INIZCTEOSA-N -1 1 483.560 3.599 20 0 JHADMM CCOCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001314347573 1070155931 /nfs/dbraw/zinc/15/59/31/1070155931.db2.gz ZGGURMQIVWZQSG-UAPYVXQJSA-N -1 1 483.510 3.967 20 0 JHADMM Cc1ccc(-c2csc(NC(=O)CN3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)n2)cc1C ZINC001307808054 1070193278 /nfs/dbraw/zinc/19/32/78/1070193278.db2.gz JURHOOYTPWMGFC-OAHLLOKOSA-N -1 1 454.518 3.756 20 0 JHADMM O=C(NC1CC1)[C@H](c1ccccc1)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001307915084 1070238511 /nfs/dbraw/zinc/23/85/11/1070238511.db2.gz SOJMLXINKBCVLR-ACRUOGEOSA-N -1 1 463.475 3.682 20 0 JHADMM C[C@@H]1CCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001307960538 1070259238 /nfs/dbraw/zinc/25/92/38/1070259238.db2.gz NNUPLECIAOZASL-QAPCUYQASA-N -1 1 466.529 3.701 20 0 JHADMM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)(F)F ZINC001308825661 1070443620 /nfs/dbraw/zinc/44/36/20/1070443620.db2.gz MATZNFCLBFRIIH-OAHLLOKOSA-N -1 1 453.827 3.670 20 0 JHADMM C[S@@](=O)(=NS(=O)(=O)[N-]CC1(c2ccc3c(c2)OCCO3)CCCC1)C1CCCCC1 ZINC001309049258 1070507881 /nfs/dbraw/zinc/50/78/81/1070507881.db2.gz TXCOXNIFJGIJFV-LJAQVGFWSA-N -1 1 456.630 3.535 20 0 JHADMM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCc2sccc2C1)c1c[nH]nc1C(F)(F)F ZINC001309065463 1070518838 /nfs/dbraw/zinc/51/88/38/1070518838.db2.gz FBZZEVSPDQHTAZ-OAHLLOKOSA-N -1 1 456.515 3.568 20 0 JHADMM COc1c(F)cc(S(=O)(=O)Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC001309204307 1070606181 /nfs/dbraw/zinc/60/61/81/1070606181.db2.gz OFICQBXPFOOCDQ-UHFFFAOYSA-N -1 1 455.460 3.542 20 0 JHADMM COC(=O)c1oc(S(=O)(=O)[N-]CC2(c3ccc(Br)cc3)CCCC2)cc1C ZINC001309227172 1070626900 /nfs/dbraw/zinc/62/69/00/1070626900.db2.gz APGFOCQVQQPQAI-UHFFFAOYSA-N -1 1 456.358 3.927 20 0 JHADMM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC001309247843 1070643136 /nfs/dbraw/zinc/64/31/36/1070643136.db2.gz IDOHOYYSNGRJBD-SJCJKPOMSA-N -1 1 457.733 3.958 20 0 JHADMM O=S(=O)([N-]C[C@@]1(O)CCc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001309333423 1070705377 /nfs/dbraw/zinc/70/53/77/1070705377.db2.gz AXIXZDDIXNDCRI-INIZCTEOSA-N -1 1 451.169 3.868 20 0 JHADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1F ZINC001309358910 1070721145 /nfs/dbraw/zinc/72/11/45/1070721145.db2.gz MTNLBFNPVYANMK-AWEZNQCLSA-N -1 1 457.348 3.796 20 0 JHADMM C[S@@](=O)(=NS(=O)(=O)[N-]CCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC001309367658 1070728307 /nfs/dbraw/zinc/72/83/07/1070728307.db2.gz DAEAYTDEPZTNNX-MHZLTWQESA-N -1 1 456.014 3.997 20 0 JHADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@](C)(O)c1cccc(Cl)c1 ZINC001309374781 1070732169 /nfs/dbraw/zinc/73/21/69/1070732169.db2.gz DYNUHXZXQYMNMN-QGZVFWFLSA-N -1 1 452.743 3.619 20 0 JHADMM O=C1CCc2cc(Br)c(S(=O)(=O)[N-][C@@H](C(F)F)C3CCCCC3)cc2N1 ZINC001309697453 1070929036 /nfs/dbraw/zinc/92/90/36/1070929036.db2.gz COLOYGRXPYDENQ-MRXNPFEDSA-N -1 1 451.333 3.826 20 0 JHADMM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(Br)cnc1Cl ZINC001309760885 1070957370 /nfs/dbraw/zinc/95/73/70/1070957370.db2.gz FVDWHGCBDPSZPE-OCCSQVGLSA-N -1 1 452.157 3.959 20 0 JHADMM C[C@@H]1C[C@]2(CC[C@@H](C[N-]S(=O)(=O)c3cc(Br)c(Cl)cc3Cl)O2)CO1 ZINC001309868617 1071000671 /nfs/dbraw/zinc/00/06/71/1071000671.db2.gz IDOHHWGJHNVXKE-HFBDOXOYSA-N -1 1 459.189 3.761 20 0 JHADMM O=S(=O)([N-]C1([C@H]2CCCO2)CCC1)c1c(Br)cc(F)cc1Br ZINC001309953091 1071027077 /nfs/dbraw/zinc/02/70/77/1071027077.db2.gz ABVFZDFXCKSISD-GFCCVEGCSA-N -1 1 457.159 3.731 20 0 JHADMM CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC001310142615 1071151556 /nfs/dbraw/zinc/15/15/56/1071151556.db2.gz MNTVELXSWLVUNI-INIZCTEOSA-N -1 1 456.509 3.871 20 0 JHADMM CCCN(CCC)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001310141313 1071149489 /nfs/dbraw/zinc/14/94/89/1071149489.db2.gz FFUOFSUXUGKXHF-QAPCUYQASA-N -1 1 456.509 3.870 20 0 JHADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)n[n-]1 ZINC001310163059 1071170596 /nfs/dbraw/zinc/17/05/96/1071170596.db2.gz GJKAXLOPDBVTMY-INIZCTEOSA-N -1 1 450.490 3.769 20 0 JHADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)[n-]1 ZINC001310163059 1071170602 /nfs/dbraw/zinc/17/06/02/1071170602.db2.gz GJKAXLOPDBVTMY-INIZCTEOSA-N -1 1 450.490 3.769 20 0 JHADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)n1 ZINC001310163059 1071170609 /nfs/dbraw/zinc/17/06/09/1071170609.db2.gz GJKAXLOPDBVTMY-INIZCTEOSA-N -1 1 450.490 3.769 20 0 JHADMM CCOc1cc(Br)ccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001310405357 1071370392 /nfs/dbraw/zinc/37/03/92/1071370392.db2.gz OOUNDBBMJAXNEW-LLVKDONJSA-N -1 1 452.271 3.770 20 0 JHADMM CCOC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001314046783 1071864057 /nfs/dbraw/zinc/86/40/57/1071864057.db2.gz DQTFIEXLBWOGMS-UHFFFAOYSA-N -1 1 483.535 3.664 20 0 JHADMM CCc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001306114799 1068523672 /nfs/dbraw/zinc/52/36/72/1068523672.db2.gz MPCVKJNYDPMCMM-UHFFFAOYSA-N -1 1 489.502 3.566 20 0 JHADMM CCc1noc(C)c1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001306233043 1068623219 /nfs/dbraw/zinc/62/32/19/1068623219.db2.gz OMAMSOFSSNIHNQ-UHFFFAOYSA-N -1 1 480.491 3.649 20 0 JHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H]3C[C@H]4OC(C)(C)O[C@H]4C3)c2)c1 ZINC001310797893 1069167217 /nfs/dbraw/zinc/16/72/17/1069167217.db2.gz FAQLYDWZPGSRFQ-ZNDPDKIASA-N -1 1 459.568 3.908 20 0 JHADMM Cc1ccc(NC(=O)NCC(=O)Nc2cccc(F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310798591 1069168449 /nfs/dbraw/zinc/16/84/49/1069168449.db2.gz PRONUHOEPDMYGY-UHFFFAOYSA-N -1 1 456.499 3.695 20 0 JHADMM O=C([N-][C@@H]1CN(C(=O)NC[C@@H]2OCCc3ccccc32)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001311955050 1069634660 /nfs/dbraw/zinc/63/46/60/1069634660.db2.gz ADFYCCPSWPWLGP-NRSPTQNISA-N -1 1 461.484 3.547 20 0 JHADMM C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001306858703 1069663523 /nfs/dbraw/zinc/66/35/23/1069663523.db2.gz NSTZISYANHNCTE-UONOGXRCSA-N -1 1 457.379 3.885 20 0 JHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC[C@H](NC3CC3)C(F)(F)F)c2)cc1 ZINC001306905863 1069680474 /nfs/dbraw/zinc/68/04/74/1069680474.db2.gz VLQWJHOAVIYMLS-IBGZPJMESA-N -1 1 455.502 3.599 20 0 JHADMM COC[C@@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1)c1ccc(C)o1 ZINC001312157020 1069756388 /nfs/dbraw/zinc/75/63/88/1069756388.db2.gz NSLLVSOICHPKLS-KZNAEPCWSA-N -1 1 453.461 3.522 20 0 JHADMM CCOc1cccc(Cn2c(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)nnc2C(C)(C)C)c1 ZINC001314209497 1069828514 /nfs/dbraw/zinc/82/85/14/1069828514.db2.gz NDEBRJSTAPVURV-UHFFFAOYSA-N -1 1 467.536 3.918 20 0 JHADMM O=C([N-][C@H]1CN(C(=O)N[C@H]2CCCC23CCOCC3)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001312585640 1070030303 /nfs/dbraw/zinc/03/03/03/1070030303.db2.gz MEQUAVWTPGJKTD-FHWLQOOXSA-N -1 1 471.495 3.721 20 0 JHADMM CCOCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001314283160 1070052122 /nfs/dbraw/zinc/05/21/22/1070052122.db2.gz NRQIXOPRLHIIGG-UHFFFAOYSA-N -1 1 482.551 3.606 20 0 JHADMM Cc1ccc2c(c1)nc(CNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc31)n2C ZINC001312682965 1070080626 /nfs/dbraw/zinc/08/06/26/1070080626.db2.gz NFVIGEZZOJBSRY-HNNXBMFYSA-N -1 1 459.472 3.764 20 0 JHADMM C[C@@H]1CCN(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001313416181 1070352640 /nfs/dbraw/zinc/35/26/40/1070352640.db2.gz IIHQANFTSGCGGP-CJNGLKHVSA-N -1 1 458.481 3.632 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC001309157604 1070574718 /nfs/dbraw/zinc/57/47/18/1070574718.db2.gz ROXXVPMJPLVFID-GOSISDBHSA-N -1 1 454.589 3.621 20 0 JHADMM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)c1nc(C)cs1 ZINC001309166059 1070581284 /nfs/dbraw/zinc/58/12/84/1070581284.db2.gz AEXBHRSWEHVEBT-NSHDSACASA-N -1 1 451.339 3.569 20 0 JHADMM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)no1 ZINC001309306852 1070686607 /nfs/dbraw/zinc/68/66/07/1070686607.db2.gz FXTPNJJVXWTXBY-JTQLQIEISA-N -1 1 458.284 3.958 20 0 JHADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2cccc(C)c2Br)c1F ZINC001309409616 1070752310 /nfs/dbraw/zinc/75/23/10/1070752310.db2.gz MIGUYDSILHBXFL-UHFFFAOYSA-N -1 1 450.713 3.815 20 0 JHADMM CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1sccc1Br)C1CCCC1 ZINC001309448417 1070777322 /nfs/dbraw/zinc/77/73/22/1070777322.db2.gz GVKYGJSCFVXAJT-CYBMUJFWSA-N -1 1 453.424 3.872 20 0 JHADMM CC[C@]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)(C(=O)OC)c1ccccc1 ZINC001309487378 1070801973 /nfs/dbraw/zinc/80/19/73/1070801973.db2.gz HJCURIIBNFIJAQ-QGZVFWFLSA-N -1 1 451.850 3.995 20 0 JHADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c2cnn(C)c2)no1 ZINC001309534416 1070835385 /nfs/dbraw/zinc/83/53/85/1070835385.db2.gz KQUNPYVLFRDHQD-IBGZPJMESA-N -1 1 459.915 3.625 20 0 JHADMM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1(C)C ZINC001309586180 1070870336 /nfs/dbraw/zinc/87/03/36/1070870336.db2.gz XOAOQPGNJXLCJD-LBPRGKRZSA-N -1 1 457.902 3.820 20 0 JHADMM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCN1C(=O)OC(C)(C)C ZINC001309734762 1070945419 /nfs/dbraw/zinc/94/54/19/1070945419.db2.gz BQLXCKWWESSXKA-RNCFNFMXSA-N -1 1 471.776 3.918 20 0 JHADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC001309917596 1071017490 /nfs/dbraw/zinc/01/74/90/1071017490.db2.gz LIXPUQRTOGSKAQ-GOSISDBHSA-N -1 1 455.458 3.829 20 0 JHADMM CCc1noc([C@@H]2CC[C@@H]([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Br)C2)n1 ZINC001309919856 1071017760 /nfs/dbraw/zinc/01/77/60/1071017760.db2.gz GOUJBUDTHKSGOD-PSASIEDQSA-N -1 1 452.733 3.802 20 0 JHADMM O=C([N-][C@@H]1CN(C(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001310023127 1071067832 /nfs/dbraw/zinc/06/78/32/1071067832.db2.gz VSFHWLWODTWQOV-QZTJIDSGSA-N -1 1 463.456 3.916 20 0 JHADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cccc(COCc4ccco4)c3)CC2)n1 ZINC001310141451 1071150141 /nfs/dbraw/zinc/15/01/41/1071150141.db2.gz HLZCVDRJEQEOMR-UHFFFAOYSA-N -1 1 453.499 3.703 20 0 JHADMM C[C@@H]1CCN(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001310240809 1071229221 /nfs/dbraw/zinc/22/92/21/1071229221.db2.gz UMMYIFURAPPJLA-SKDRFNHKSA-N -1 1 465.354 3.676 20 0 JHADMM Cc1cc(NC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1C(N)=O ZINC001310285568 1071270489 /nfs/dbraw/zinc/27/04/89/1071270489.db2.gz IJELLRKUZFUJNP-UHFFFAOYSA-N -1 1 452.536 3.559 20 0 JHADMM Cc1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1C(=O)N(C)C ZINC001310393321 1071365044 /nfs/dbraw/zinc/36/50/44/1071365044.db2.gz RRUZDOMMBPLVAO-UYAOXDASSA-N -1 1 476.499 3.765 20 0 JHADMM CCc1cccc(NC(=O)CNC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC001310475370 1071417845 /nfs/dbraw/zinc/41/78/45/1071417845.db2.gz NBOSFKLDTVGRMX-UHFFFAOYSA-N -1 1 452.536 3.810 20 0 JHADMM O=C(NCc1ccnc(N2CCCC2)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001310476560 1071418378 /nfs/dbraw/zinc/41/83/78/1071418378.db2.gz WVGURPHJKUSIFH-UHFFFAOYSA-N -1 1 451.552 3.804 20 0 JHADMM O=C(NCc1cc2ccccc2[nH]c1=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001305945263 1068258037 /nfs/dbraw/zinc/25/80/37/1068258037.db2.gz CCXYUFDNIFDCTF-UHFFFAOYSA-N -1 1 451.479 3.810 20 0 JHADMM CC[C@@H]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001306308068 1068726970 /nfs/dbraw/zinc/72/69/70/1068726970.db2.gz DLJVGZSYUVPVKF-UXHICEINSA-N -1 1 478.563 3.985 20 0 JHADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)Nc2cccc(OC)c2Br)n[n-]1 ZINC001310602669 1069046389 /nfs/dbraw/zinc/04/63/89/1069046389.db2.gz HAWQRKYKDIUIPE-LBPRGKRZSA-N -1 1 454.325 3.661 20 0 JHADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)Nc2cccc(OC)c2Br)[n-]1 ZINC001310602669 1069046405 /nfs/dbraw/zinc/04/64/05/1069046405.db2.gz HAWQRKYKDIUIPE-LBPRGKRZSA-N -1 1 454.325 3.661 20 0 JHADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)Nc2cccc(OC)c2Br)n1 ZINC001310602669 1069046425 /nfs/dbraw/zinc/04/64/25/1069046425.db2.gz HAWQRKYKDIUIPE-LBPRGKRZSA-N -1 1 454.325 3.661 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC001310611934 1069055697 /nfs/dbraw/zinc/05/56/97/1069055697.db2.gz MCBKDVWAJMJDDO-FZMZJTMJSA-N -1 1 452.399 3.628 20 0 JHADMM CCOC(=O)[C@H](C)C1CN(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC001310798804 1069168320 /nfs/dbraw/zinc/16/83/20/1069168320.db2.gz WUZZBNMIZHMUGW-QGZVFWFLSA-N -1 1 459.568 3.767 20 0 JHADMM Cc1ccc(NC(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310802223 1069169639 /nfs/dbraw/zinc/16/96/39/1069169639.db2.gz VYFCDUXVSNYJNZ-QGZVFWFLSA-N -1 1 452.536 3.945 20 0 JHADMM CCCCn1cc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)n1 ZINC001306718390 1069450577 /nfs/dbraw/zinc/45/05/77/1069450577.db2.gz CVCMWAFPKXDJPT-UHFFFAOYSA-N -1 1 492.550 3.521 20 0 JHADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)NCc1cccc(OCC(F)F)c1)C(F)(F)F ZINC001311835905 1069571150 /nfs/dbraw/zinc/57/11/50/1069571150.db2.gz VSFMMTODXXOTNH-OAHLLOKOSA-N -1 1 457.399 3.650 20 0 JHADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)c3oc4ccc(OC)cc4c3C)CC2)n1 ZINC001311897013 1069603463 /nfs/dbraw/zinc/60/34/63/1069603463.db2.gz QWVUQHWHZZGJJN-CQSZACIVSA-N -1 1 455.515 3.695 20 0 JHADMM Cn1ncc2ccc(CNC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)cc21 ZINC001306849217 1069658378 /nfs/dbraw/zinc/65/83/78/1069658378.db2.gz KCQKYJICQQKLTO-UHFFFAOYSA-N -1 1 454.939 3.958 20 0 JHADMM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001306868252 1069666912 /nfs/dbraw/zinc/66/69/12/1069666912.db2.gz CWWKXRJMAQCCTN-SOUVJXGZSA-N -1 1 451.530 3.620 20 0 JHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC[C@@H]2c3ccccc3CN2C)c1 ZINC001306886605 1069673851 /nfs/dbraw/zinc/67/38/51/1069673851.db2.gz GAMJYFKHXLVQJA-JOCHJYFZSA-N -1 1 453.539 3.851 20 0 JHADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001306892711 1069676439 /nfs/dbraw/zinc/67/64/39/1069676439.db2.gz AZRYKQALNHYIDP-XOBRGWDASA-N -1 1 452.935 3.921 20 0 JHADMM C[C@H](CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)Oc1cccc(Cl)c1 ZINC001312088222 1069713464 /nfs/dbraw/zinc/71/34/64/1069713464.db2.gz UANYSKACLPPEEM-CZUORRHYSA-N -1 1 455.864 3.927 20 0 JHADMM CC1(C)[C@H](NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)[C@H]2CCCO[C@H]21 ZINC001312137935 1069742809 /nfs/dbraw/zinc/74/28/09/1069742809.db2.gz KZCIIRNMOCFYKD-ZWJWXYIHSA-N -1 1 471.495 3.575 20 0 JHADMM C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@H](O)c1ccccc1 ZINC001312263886 1069820450 /nfs/dbraw/zinc/82/04/50/1069820450.db2.gz MLVNXHCAMZFCGY-ZHRRBRCNSA-N -1 1 457.527 3.548 20 0 JHADMM COc1cc(OC)c(CNC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(OC)c1 ZINC001307327151 1069948947 /nfs/dbraw/zinc/94/89/47/1069948947.db2.gz DPJZNNOPMTXPAE-UHFFFAOYSA-N -1 1 455.536 3.592 20 0 JHADMM O=C([N-][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC001313025225 1070225415 /nfs/dbraw/zinc/22/54/15/1070225415.db2.gz AHWGWYIGFJARDZ-CVEARBPZSA-N -1 1 468.303 3.751 20 0 JHADMM O=C([N-][C@@H]1CN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001307942277 1070252482 /nfs/dbraw/zinc/25/24/82/1070252482.db2.gz QKKACYCGHJZSTP-NJDAHSKKSA-N -1 1 463.475 3.858 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2CC2CCCCC2)c(OC)c1 ZINC001309114516 1070547070 /nfs/dbraw/zinc/54/70/70/1070547070.db2.gz AGROFZHZWLYWEF-IBGZPJMESA-N -1 1 458.646 3.970 20 0 JHADMM CC(C)(C)OC(=O)NC[C@@](C)([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C1CC1 ZINC001309157745 1070574694 /nfs/dbraw/zinc/57/46/94/1070574694.db2.gz XGWGOKGMNUIGLE-MRXNPFEDSA-N -1 1 457.902 3.726 20 0 JHADMM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(F)c(Br)c1F ZINC001309162721 1070579028 /nfs/dbraw/zinc/57/90/28/1070579028.db2.gz OVHAUFATTZSIOO-JTQLQIEISA-N -1 1 453.255 3.563 20 0 JHADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)cc2C)c(F)cc1Br ZINC001309184692 1070591728 /nfs/dbraw/zinc/59/17/28/1070591728.db2.gz RYHMKEYXGIXGDH-ZDUSSCGKSA-N -1 1 458.349 3.901 20 0 JHADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)o1 ZINC001309200774 1070602110 /nfs/dbraw/zinc/60/21/10/1070602110.db2.gz JAYFNHHQSIIHEZ-INIZCTEOSA-N -1 1 459.362 3.537 20 0 JHADMM C[C@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC001309267588 1070657570 /nfs/dbraw/zinc/65/75/70/1070657570.db2.gz QUQREMTXWOBEBA-OXJNMPFZSA-N -1 1 454.514 3.864 20 0 JHADMM Cc1nc(-c2ccccc2Br)sc1[C@H](C)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001309293759 1070675915 /nfs/dbraw/zinc/67/59/15/1070675915.db2.gz YYTZPPSNLPTVCK-JTQLQIEISA-N -1 1 452.421 3.504 20 0 JHADMM O=S(=O)([N-]C[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(Br)o1 ZINC001309308802 1070688073 /nfs/dbraw/zinc/68/80/73/1070688073.db2.gz WYVNKNRTJOZNMO-QGZVFWFLSA-N -1 1 452.326 3.633 20 0 JHADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C)c1F ZINC001309308804 1070688109 /nfs/dbraw/zinc/68/81/09/1070688109.db2.gz MZVHUABPROKZSO-LBPRGKRZSA-N -1 1 454.358 3.632 20 0 JHADMM O=S(=O)([N-]Cc1nccn1CCCc1ccccc1)c1c(F)cccc1Br ZINC001309339939 1070709494 /nfs/dbraw/zinc/70/94/94/1070709494.db2.gz IFILINXHDQGPCK-UHFFFAOYSA-N -1 1 452.349 3.896 20 0 JHADMM O=C(c1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)cc1F)N1CCCC1 ZINC001309355093 1070717659 /nfs/dbraw/zinc/71/76/59/1070717659.db2.gz XWPRBIKUTQDRKL-IBGZPJMESA-N -1 1 458.477 3.904 20 0 JHADMM COC[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)c1ccc(Cl)cc1 ZINC001309508110 1070817418 /nfs/dbraw/zinc/81/74/18/1070817418.db2.gz SHXXTVLEEZIACM-LBPRGKRZSA-N -1 1 450.315 3.628 20 0 JHADMM COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)[n-]n1 ZINC001309813794 1070980141 /nfs/dbraw/zinc/98/01/41/1070980141.db2.gz XSSJECYXWQWYPT-UHFFFAOYSA-N -1 1 453.879 3.602 20 0 JHADMM COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)n[n-]1 ZINC001309813794 1070980157 /nfs/dbraw/zinc/98/01/57/1070980157.db2.gz XSSJECYXWQWYPT-UHFFFAOYSA-N -1 1 453.879 3.602 20 0 JHADMM CC(C)(C)OC(=O)N1CC[C@@]2([N-]S(=O)(=O)c3sccc3Br)CCC[C@H]12 ZINC001309826945 1070986674 /nfs/dbraw/zinc/98/66/74/1070986674.db2.gz YDQDXAVIZFXDJU-LRDDRELGSA-N -1 1 451.408 3.721 20 0 JHADMM COc1cnc(C2(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CCCC2)[n-]c1=O ZINC001309897804 1071008614 /nfs/dbraw/zinc/00/86/14/1071008614.db2.gz MOQUODYDRXXCNK-UHFFFAOYSA-N -1 1 451.854 3.611 20 0 JHADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC001310051455 1071085676 /nfs/dbraw/zinc/08/56/76/1071085676.db2.gz MSOXDGATTGEIIL-UHFFFAOYSA-N -1 1 456.449 3.769 20 0 JHADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C)c3)CC2)n1 ZINC001310348158 1071329841 /nfs/dbraw/zinc/32/98/41/1071329841.db2.gz HXJTVURREVFBMZ-UHFFFAOYSA-N -1 1 455.437 3.642 20 0 JHADMM CCc1ccc(-c2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2Cc2nccs2)cc1 ZINC001305936892 1068240576 /nfs/dbraw/zinc/24/05/76/1068240576.db2.gz QTCHHXPFKRBJHK-UHFFFAOYSA-N -1 1 478.544 3.907 20 0 JHADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1cc(=O)[nH]cn1 ZINC001306302390 1068718925 /nfs/dbraw/zinc/71/89/25/1068718925.db2.gz LBLPPEHDLRLRJV-UHFFFAOYSA-N -1 1 452.464 3.550 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001310739654 1069143861 /nfs/dbraw/zinc/14/38/61/1069143861.db2.gz IYGNFIYMXVADNM-FQEVSTJZSA-N -1 1 458.481 3.695 20 0 JHADMM Cc1ccc(NC(=O)NCc2ccc3oc(=O)[nH]c3c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310799626 1069168333 /nfs/dbraw/zinc/16/83/33/1069168333.db2.gz DGBHESQGEMBLIB-UHFFFAOYSA-N -1 1 452.492 3.964 20 0 JHADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cc(Cl)c(OC)c(OC)c3)c2)n1 ZINC001310941242 1069229866 /nfs/dbraw/zinc/22/98/66/1069229866.db2.gz VIWIGPXJCHSWAE-UHFFFAOYSA-N -1 1 459.890 3.641 20 0 JHADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccc2c(c1)CCO2 ZINC001311802121 1069551803 /nfs/dbraw/zinc/55/18/03/1069551803.db2.gz RKSQBRBSLRWFHF-UHFFFAOYSA-N -1 1 455.511 3.561 20 0 JHADMM C[C@@H](O)CN(Cc1ccccc1)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001311835572 1069570599 /nfs/dbraw/zinc/57/05/99/1069570599.db2.gz UKHJGBJXPZZOKE-LJQANCHMSA-N -1 1 453.564 3.580 20 0 JHADMM COc1ccccc1C[C@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001311835534 1069570746 /nfs/dbraw/zinc/57/07/46/1069570746.db2.gz TUMFHJRFXRPLJN-SFHVURJKSA-N -1 1 453.564 3.926 20 0 JHADMM C[C@@H](O)[C@@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1F ZINC001311835995 1069571220 /nfs/dbraw/zinc/57/12/20/1069571220.db2.gz WVSLOSPYGUQXNG-OPAMFIHVSA-N -1 1 457.527 3.548 20 0 JHADMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@H](O)Cc1ccccc1 ZINC001306779204 1069575498 /nfs/dbraw/zinc/57/54/98/1069575498.db2.gz HVLWSPCADIRPSP-OPAMFIHVSA-N -1 1 458.967 3.863 20 0 JHADMM COc1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc(Br)c1OC ZINC001306825132 1069645235 /nfs/dbraw/zinc/64/52/35/1069645235.db2.gz FYOJILVBBVBGPQ-UHFFFAOYSA-N -1 1 453.680 3.863 20 0 JHADMM COc1cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc(Br)c1OC ZINC001306825132 1069645237 /nfs/dbraw/zinc/64/52/37/1069645237.db2.gz FYOJILVBBVBGPQ-UHFFFAOYSA-N -1 1 453.680 3.863 20 0 JHADMM CCOc1ccccc1[C@@](N)(C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C(F)(F)F ZINC001306830975 1069648361 /nfs/dbraw/zinc/64/83/61/1069648361.db2.gz SEMAGLOIUQJIHN-GOSISDBHSA-N -1 1 455.824 3.584 20 0 JHADMM CCOc1ccccc1[C@@](N)(C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C(F)(F)F ZINC001306830975 1069648365 /nfs/dbraw/zinc/64/83/65/1069648365.db2.gz SEMAGLOIUQJIHN-GOSISDBHSA-N -1 1 455.824 3.584 20 0 JHADMM CO[C@@H](C)c1nsc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)n1 ZINC001306840410 1069653649 /nfs/dbraw/zinc/65/36/49/1069653649.db2.gz AHCZNTLMKKYLDC-LBPRGKRZSA-N -1 1 450.517 3.746 20 0 JHADMM COc1cccc(-c2noc([C@@H](C)NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)n2)c1 ZINC001312151695 1069750577 /nfs/dbraw/zinc/75/05/77/1069750577.db2.gz DCYXYPNJRUWXNH-OAHLLOKOSA-N -1 1 450.495 3.816 20 0 JHADMM C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@@H](O)c1ccccc1 ZINC001312263885 1069820399 /nfs/dbraw/zinc/82/03/99/1069820399.db2.gz MLVNXHCAMZFCGY-OPAMFIHVSA-N -1 1 457.527 3.548 20 0 JHADMM C[C@H](O)[C@@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC001312263722 1069820976 /nfs/dbraw/zinc/82/09/76/1069820976.db2.gz JUVODBMTWPOYHV-KSFYIVLOSA-N -1 1 457.527 3.548 20 0 JHADMM Cc1nc(SCC(=O)N(C)CCOc2ccc(Br)cc2)[n-]c(=O)c1C1CC1 ZINC001307382422 1069965963 /nfs/dbraw/zinc/96/59/63/1069965963.db2.gz NUGWGLKCXULBQU-UHFFFAOYSA-N -1 1 452.374 3.760 20 0 JHADMM CCOC(=O)CCc1c(C)nc(S[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)[n-]c1=O ZINC001307390154 1069966788 /nfs/dbraw/zinc/96/67/88/1069966788.db2.gz NTSMEFTYKMTTKY-INIZCTEOSA-N -1 1 453.923 3.676 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001313410266 1070350901 /nfs/dbraw/zinc/35/09/01/1070350901.db2.gz JYZHHDHAZNABHJ-ULQDDVLXSA-N -1 1 478.556 3.655 20 0 JHADMM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC001308994115 1070473406 /nfs/dbraw/zinc/47/34/06/1070473406.db2.gz CGNZAPDPRKXSER-AWEZNQCLSA-N -1 1 454.923 3.772 20 0 JHADMM Cc1nc(S(=O)(=O)[N-]CCCOc2ccc(Cl)cc2Cl)c(Br)n1C ZINC001309117651 1070549241 /nfs/dbraw/zinc/54/92/41/1070549241.db2.gz RRYIOILZOUOUHN-UHFFFAOYSA-N -1 1 457.177 3.545 20 0 JHADMM Cc1ccc(Br)cc1NC(=O)CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001309143275 1070565170 /nfs/dbraw/zinc/56/51/70/1070565170.db2.gz XLMFKRSTKATBOG-UHFFFAOYSA-N -1 1 455.305 3.950 20 0 JHADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)Cc1ccc2ccccc2c1 ZINC001309177134 1070586590 /nfs/dbraw/zinc/58/65/90/1070586590.db2.gz BZSJMLKCGLKXAU-MRXNPFEDSA-N -1 1 453.347 3.852 20 0 JHADMM Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[N-]S(=O)(=O)N=S(C)(C)=O 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/nfs/dbraw/zinc/83/54/26/1070835426.db2.gz KQUNPYVLFRDHQD-LJQANCHMSA-N -1 1 459.915 3.625 20 0 JHADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)Cc2cn(C)c3ccc(F)cc23)c1F ZINC001309582725 1070869093 /nfs/dbraw/zinc/86/90/93/1070869093.db2.gz SXENYNVSZXSFCV-NSHDSACASA-N -1 1 456.898 3.806 20 0 JHADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)Cc2cn(C)c3ccc(F)cc23)c1F ZINC001309582723 1070869311 /nfs/dbraw/zinc/86/93/11/1070869311.db2.gz SXENYNVSZXSFCV-LLVKDONJSA-N -1 1 456.898 3.806 20 0 JHADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2C(=O)OC(C)(C)C)c(F)cc1Cl ZINC001309726068 1070941089 /nfs/dbraw/zinc/94/10/89/1070941089.db2.gz DGOMBLFZPDPDMF-UHFFFAOYSA-N -1 1 457.907 3.700 20 0 JHADMM CC[C@@H]([N-]S(=O)(=O)c1c(Br)cc(F)cc1Br)[C@@H]1CCCOC1 ZINC001309800613 1070973563 /nfs/dbraw/zinc/97/35/63/1070973563.db2.gz QBIIFMKCHFOBTL-NOZJJQNGSA-N -1 1 459.175 3.834 20 0 JHADMM O=S(=O)([N-]Cc1ncccc1Br)c1c(Cl)cc(F)cc1Br ZINC001309950513 1071026518 /nfs/dbraw/zinc/02/65/18/1071026518.db2.gz FRZRRYZAMKPFPH-UHFFFAOYSA-N -1 1 458.534 3.878 20 0 JHADMM C[S@@](=O)c1ccc(NC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1F ZINC001310304199 1071286531 /nfs/dbraw/zinc/28/65/31/1071286531.db2.gz CGDLWFSTKHCWFK-MDQXEJNYSA-N -1 1 457.449 3.767 20 0 JHADMM COc1ccc(NC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1[N-]S(C)(=O)=O ZINC001310358659 1071336413 /nfs/dbraw/zinc/33/64/13/1071336413.db2.gz HNORBIXZHGPFCQ-GJZGRUSLSA-N -1 1 457.556 3.791 20 0 JHADMM CCOc1cc(Br)ccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001310405359 1071370272 /nfs/dbraw/zinc/37/02/72/1071370272.db2.gz OOUNDBBMJAXNEW-NSHDSACASA-N -1 1 452.271 3.770 20 0 JHADMM CCCN(C(=O)c1ccccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)C ZINC001310456956 1071400547 /nfs/dbraw/zinc/40/05/47/1071400547.db2.gz SOLSQBVXHGULEX-MRXNPFEDSA-N -1 1 456.509 3.870 20 0 JHADMM CCCN(C(=O)c1ccccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)C ZINC001310456955 1071400630 /nfs/dbraw/zinc/40/06/30/1071400630.db2.gz SOLSQBVXHGULEX-INIZCTEOSA-N -1 1 456.509 3.870 20 0 JHADMM CCc1nc(C)c(Cn2c(-c3ccccc3F)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)o1 ZINC001306009292 1068390597 /nfs/dbraw/zinc/39/05/97/1068390597.db2.gz UKDUVEFJAJESOL-UHFFFAOYSA-N -1 1 494.493 3.886 20 0 JHADMM COC(=O)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(Br)cc1 ZINC001306327695 1068766450 /nfs/dbraw/zinc/76/64/50/1068766450.db2.gz HECMIKFSHQNPGF-CQSZACIVSA-N -1 1 457.118 3.951 20 0 JHADMM NC(=O)Nc1cc(NC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)ccc1F ZINC001310775132 1069157377 /nfs/dbraw/zinc/15/73/77/1069157377.db2.gz VGKICBUJGDVTIW-NSHDSACASA-N -1 1 453.396 3.521 20 0 JHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@H]3CCN(C(C)(C)C)C3=O)c2)c1 ZINC001310798270 1069167719 /nfs/dbraw/zinc/16/77/19/1069167719.db2.gz ITJVLHIBNSQZOI-IBGZPJMESA-N -1 1 458.584 3.625 20 0 JHADMM CC(=O)N(C)C1CCN(C(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)CC1 ZINC001310798851 1069168215 /nfs/dbraw/zinc/16/82/15/1069168215.db2.gz XVHMRCPXVUWNQS-UHFFFAOYSA-N -1 1 458.584 3.579 20 0 JHADMM Cc1ccc(NC(=O)N[C@@H](CC(N)=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310802553 1069170402 /nfs/dbraw/zinc/17/04/02/1069170402.db2.gz ZQYMFYYNWYOJOZ-FQEVSTJZSA-N -1 1 452.536 3.534 20 0 JHADMM O=C(NCC1(c2ccccc2)CCCC1)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001311472232 1069394766 /nfs/dbraw/zinc/39/47/66/1069394766.db2.gz JLYBBPFLKYKXFF-UXHICEINSA-N -1 1 467.532 3.756 20 0 JHADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(F)ccc1I ZINC001306825104 1069645169 /nfs/dbraw/zinc/64/51/69/1069645169.db2.gz DRBQUEHBLVZNGX-UHFFFAOYSA-N -1 1 458.618 3.827 20 0 JHADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)ccc1I ZINC001306825104 1069645174 /nfs/dbraw/zinc/64/51/74/1069645174.db2.gz DRBQUEHBLVZNGX-UHFFFAOYSA-N -1 1 458.618 3.827 20 0 JHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cc(C)nc(Cl)c3)cc2)cc1 ZINC001306862270 1069664973 /nfs/dbraw/zinc/66/49/73/1069664973.db2.gz BAWRHMRYQYSNLV-UHFFFAOYSA-N -1 1 457.939 3.977 20 0 JHADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001306892710 1069676401 /nfs/dbraw/zinc/67/64/01/1069676401.db2.gz AZRYKQALNHYIDP-VLIAUNLRSA-N -1 1 452.935 3.921 20 0 JHADMM C[C@@H](CNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)Oc1cccc(Cl)c1 ZINC001312088128 1069713530 /nfs/dbraw/zinc/71/35/30/1069713530.db2.gz UANYSKACLPPEEM-BBRMVZONSA-N -1 1 455.864 3.927 20 0 JHADMM COC1CCC(CNC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)CC1 ZINC001312202220 1069778335 /nfs/dbraw/zinc/77/83/35/1069778335.db2.gz VCRJOUGGVZGKTP-OTQHQDGKSA-N -1 1 459.484 3.577 20 0 JHADMM C[C@H](O)[C@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC001312263720 1069820070 /nfs/dbraw/zinc/82/00/70/1069820070.db2.gz JUVODBMTWPOYHV-AOMKIAJQSA-N -1 1 457.527 3.548 20 0 JHADMM O=C(N[C@@H]1CCCOc2c(F)cccc21)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001312399900 1069910567 /nfs/dbraw/zinc/91/05/67/1069910567.db2.gz XOHHWQLKRIIPQE-WMLDXEAASA-N -1 1 451.420 3.859 20 0 JHADMM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC001312630966 1070054213 /nfs/dbraw/zinc/05/42/13/1070054213.db2.gz AIGRAJKSRSTUJJ-UHFFFAOYSA-N -1 1 457.571 3.954 20 0 JHADMM Cc1ccc2c(c1)nc(CNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc31)n2C ZINC001312682966 1070080807 /nfs/dbraw/zinc/08/08/07/1070080807.db2.gz NFVIGEZZOJBSRY-OAHLLOKOSA-N -1 1 459.472 3.764 20 0 JHADMM Cc1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)c2ccccc12 ZINC001312868594 1070160773 /nfs/dbraw/zinc/16/07/73/1070160773.db2.gz GMDNBNVFEYKKLM-RTWAWAEBSA-N -1 1 463.500 3.906 20 0 JHADMM COc1cnc([C@@H]2CCCN2CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[n-]c1=O ZINC001308141691 1070326498 /nfs/dbraw/zinc/32/64/98/1070326498.db2.gz QNXOUESBHPFBJY-NZQKXSOJSA-N -1 1 450.514 3.715 20 0 JHADMM O=C([N-][C@@H]1CCO[C@H]1C1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1)C(F)(F)F ZINC001308768389 1070434373 /nfs/dbraw/zinc/43/43/73/1070434373.db2.gz YMGYHHRMTJOPMA-MOPGFXCFSA-N -1 1 470.923 3.633 20 0 JHADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001309078577 1070526701 /nfs/dbraw/zinc/52/67/01/1070526701.db2.gz CGSKYEYPTLVDIF-KRWDZBQOSA-N -1 1 454.335 3.879 20 0 JHADMM O=S(=O)([N-][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cl)cnc1Cl ZINC001309190154 1070594209 /nfs/dbraw/zinc/59/42/09/1070594209.db2.gz SOEJTJOXTCKWMD-NSHDSACASA-N -1 1 456.273 3.844 20 0 JHADMM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1F)c1nc(Cc2ccccc2)no1 ZINC001309278703 1070664590 /nfs/dbraw/zinc/66/45/90/1070664590.db2.gz FMHUJOAQDHDQDU-GFCCVEGCSA-N -1 1 454.321 3.743 20 0 JHADMM Cc1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)c(OCC(F)(F)F)c1 ZINC001309290923 1070673776 /nfs/dbraw/zinc/67/37/76/1070673776.db2.gz XAUWCPISAQYTRM-NDEPHWFRSA-N -1 1 454.467 3.567 20 0 JHADMM CO[C@H](CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Br)cc2)no1)C1CCCC1 ZINC001309306838 1070686589 /nfs/dbraw/zinc/68/65/89/1070686589.db2.gz FKWQVZOYEPGOEJ-MLGOLLRUSA-N -1 1 458.378 3.685 20 0 JHADMM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc4c(cc3Cl)OCCO4)n2)ccc1F ZINC001309311037 1070690397 /nfs/dbraw/zinc/69/03/97/1070690397.db2.gz VWWAQPLIIZRFRZ-LLVKDONJSA-N -1 1 453.879 3.648 20 0 JHADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1)c1ccc(Cl)c(F)c1 ZINC001309325183 1070700100 /nfs/dbraw/zinc/70/01/00/1070700100.db2.gz QBJXGRBBPBMDFU-HNNXBMFYSA-N -1 1 455.813 3.699 20 0 JHADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)c1ccccc1 ZINC001309399252 1070746724 /nfs/dbraw/zinc/74/67/24/1070746724.db2.gz XVJAXDHRORNNIO-QGZVFWFLSA-N -1 1 454.335 3.581 20 0 JHADMM COCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(Br)c(F)cc3C)ccc21 ZINC001309403820 1070749713 /nfs/dbraw/zinc/74/97/13/1070749713.db2.gz LFSPLUGSDPIDSQ-UHFFFAOYSA-N -1 1 457.321 3.581 20 0 JHADMM CC[C@@]([N-]S(=O)(=O)c1cc(Br)c(C)cc1OC)(C(=O)OC)c1ccccc1 ZINC001309489071 1070804864 /nfs/dbraw/zinc/80/48/64/1070804864.db2.gz XMEUAYDBLXZUGQ-IBGZPJMESA-N -1 1 456.358 3.523 20 0 JHADMM 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CCn1ccnc1[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001306841811 1069655718 /nfs/dbraw/zinc/65/57/18/1069655718.db2.gz DVWRDFAPVOAPCA-ZDUSSCGKSA-N -1 1 450.923 3.987 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001306869456 1069667545 /nfs/dbraw/zinc/66/75/45/1069667545.db2.gz UXYVGLNNDSYAOG-LUKYLMHMSA-N -1 1 463.541 3.908 20 0 JHADMM C[C@]1(C2CC2)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)CCO1 ZINC001306874617 1069669648 /nfs/dbraw/zinc/66/96/48/1069669648.db2.gz JBMHFDZZNGBVFD-OAQYLSRUSA-N -1 1 452.935 3.921 20 0 JHADMM O=C(N[C@@H](CCO)C1CCCC1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001306902349 1069679697 /nfs/dbraw/zinc/67/96/97/1069679697.db2.gz SLQFGWWPMHYOCL-FQEVSTJZSA-N -1 1 454.951 3.951 20 0 JHADMM O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001306899995 1069679126 /nfs/dbraw/zinc/67/91/26/1069679126.db2.gz RABSUBJCNOONCP-YADHBBJMSA-N -1 1 456.951 3.919 20 0 JHADMM 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O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001306302768 1068718911 /nfs/dbraw/zinc/71/89/11/1068718911.db2.gz QNXQREWLZCUJNH-KBAYOESNSA-N -1 1 452.504 3.966 20 0 JHADMM CC/C=C/Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001306482763 1069022529 /nfs/dbraw/zinc/02/25/29/1069022529.db2.gz CMYAIXCTKUKMAF-SNAWJCMRSA-N -1 1 479.547 3.933 20 0 JHADMM Cc1ccc(NC(=O)N2CCC(c3nn[n-]n3)CC2)cc1Oc1ncccc1Br ZINC001310683894 1069108418 /nfs/dbraw/zinc/10/84/18/1069108418.db2.gz BEJJXKGHSFXNHH-UHFFFAOYSA-N -1 1 458.320 3.869 20 0 JHADMM Cc1ccc(NC(=O)NCc2cc3c([nH]c2=O)CCC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310799699 1069169035 /nfs/dbraw/zinc/16/90/35/1069169035.db2.gz FVDHRHKQQDJKKY-UHFFFAOYSA-N -1 1 452.536 3.707 20 0 JHADMM O=S(=O)([N-]c1nc2ccccc2nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1)c1cccs1 ZINC001164732534 720441905 /nfs/dbraw/zinc/44/19/05/720441905.db2.gz OBYYCUXRNKUKSR-RTWAWAEBSA-N -1 1 492.630 3.740 20 0 JHADMM CC(C)Oc1cnccc1NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001311305548 1069320739 /nfs/dbraw/zinc/32/07/39/1069320739.db2.gz ZARHNPJPSPXLQH-UHFFFAOYSA-N -1 1 458.515 3.552 20 0 JHADMM O=C(NCc1ccn2ccnc2c1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001306725092 1069466491 /nfs/dbraw/zinc/46/64/91/1069466491.db2.gz GTYVMGUMKOFPRR-UHFFFAOYSA-N -1 1 458.902 3.858 20 0 JHADMM COc1ccc(C2(CNC(=O)N3CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C3)CCCCC2)cc1 ZINC001311680755 1069501799 /nfs/dbraw/zinc/50/17/99/1069501799.db2.gz IOWGNVBYTQRLCV-APWZRJJASA-N -1 1 455.521 3.996 20 0 JHADMM O=C(NC[C@H]1COC2(CCCC2)O1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001306819338 1069641137 /nfs/dbraw/zinc/64/11/37/1069641137.db2.gz GPHWFXRNHVIVSF-SFHVURJKSA-N -1 1 450.944 3.556 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001306869784 1069667513 /nfs/dbraw/zinc/66/75/13/1069667513.db2.gz XEVNWIHLSPKIEY-AXHNFQJDSA-N -1 1 466.422 3.713 20 0 JHADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccc2c(c1)COC2 ZINC001312245151 1069805172 /nfs/dbraw/zinc/80/51/72/1069805172.db2.gz NAHNFWPIKBKWDS-UHFFFAOYSA-N -1 1 455.511 3.656 20 0 JHADMM C[C@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@H](O)c1ccccc1 ZINC001312263883 1069821126 /nfs/dbraw/zinc/82/11/26/1069821126.db2.gz MLVNXHCAMZFCGY-AOMKIAJQSA-N -1 1 457.527 3.548 20 0 JHADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)Cc3ccccc3C(F)(F)F)CC2)n1 ZINC001312361793 1069888439 /nfs/dbraw/zinc/88/84/39/1069888439.db2.gz DXGUOLPPRUTKCZ-CYBMUJFWSA-N -1 1 453.465 3.520 20 0 JHADMM CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001307403935 1069970157 /nfs/dbraw/zinc/97/01/57/1069970157.db2.gz HVNPGWQWIXAYMP-INIZCTEOSA-N -1 1 450.564 3.989 20 0 JHADMM Cc1ccc(-c2csc(NC(=O)CN3CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)n2)cc1C ZINC001307881942 1070222371 /nfs/dbraw/zinc/22/23/71/1070222371.db2.gz KZHXTSYOSXTBIC-HOCLYGCPSA-N -1 1 454.518 3.897 20 0 JHADMM O=C([N-][C@@H]1CN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001307942278 1070252224 /nfs/dbraw/zinc/25/22/24/1070252224.db2.gz QKKACYCGHJZSTP-NJYVYQBISA-N -1 1 463.475 3.858 20 0 JHADMM CCSc1ccccc1CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001313261027 1070308659 /nfs/dbraw/zinc/30/86/59/1070308659.db2.gz YQNGSTDMBHIULA-MJGOQNOKSA-N -1 1 473.561 3.599 20 0 JHADMM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001313286340 1070316757 /nfs/dbraw/zinc/31/67/57/1070316757.db2.gz IMTGBEOBWRNIDJ-ACWOFJMJSA-N -1 1 451.420 3.840 20 0 JHADMM O=S(=O)([N-]CC1(c2cccc(C(F)(F)F)c2)CCCC1)c1nc[nH]c1Br ZINC001309094344 1070536568 /nfs/dbraw/zinc/53/65/68/1070536568.db2.gz QCMWUNQMSIYYQH-UHFFFAOYSA-N -1 1 452.296 3.981 20 0 JHADMM CC[C@@H](C(=O)N1CCC([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CC1)c1ccccc1 ZINC001309138512 1070562083 /nfs/dbraw/zinc/56/20/83/1070562083.db2.gz OPFAQVWPAQNPLA-MRXNPFEDSA-N -1 1 456.395 3.852 20 0 JHADMM O=S(=O)([N-]c1ccccc1CNS(=O)(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC001309140643 1070563528 /nfs/dbraw/zinc/56/35/28/1070563528.db2.gz JMBZAATUXZUBNK-UHFFFAOYSA-N -1 1 453.545 3.514 20 0 JHADMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001309143492 1070565563 /nfs/dbraw/zinc/56/55/63/1070565563.db2.gz NBYOTTZZIQASTB-CYBMUJFWSA-N -1 1 457.383 3.684 20 0 JHADMM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1)C1CCCC1 ZINC001309306837 1070686693 /nfs/dbraw/zinc/68/66/93/1070686693.db2.gz FKWQVZOYEPGOEJ-LRDDRELGSA-N -1 1 458.378 3.685 20 0 JHADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(OC)c(Cl)c1 ZINC001309418485 1070757857 /nfs/dbraw/zinc/75/78/57/1070757857.db2.gz ZKXRPUWLVVEHPC-MRXNPFEDSA-N -1 1 452.743 3.989 20 0 JHADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)c1cccc(C)c1C ZINC001309426682 1070763070 /nfs/dbraw/zinc/76/30/70/1070763070.db2.gz PFOLLHSPNOPFOZ-GOSISDBHSA-N -1 1 456.358 3.657 20 0 JHADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2cc1C(=O)OC)c1cccc(C)c1C ZINC001309426227 1070763100 /nfs/dbraw/zinc/76/31/00/1070763100.db2.gz MNYCIKQMSHBSKE-QFIPXVFZSA-N -1 1 455.532 3.826 20 0 JHADMM CON(C[C@@H]1CCC[C@@H](C)C1)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC001309547551 1070845506 /nfs/dbraw/zinc/84/55/06/1070845506.db2.gz NAVHZCISSORXRB-NVXWUHKLSA-N -1 1 450.523 3.676 20 0 JHADMM COc1ccc(C[C@](C)(O)C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)cc1OC ZINC001309551055 1070849613 /nfs/dbraw/zinc/84/96/13/1070849613.db2.gz MUOAAGNACZHFQT-FQEVSTJZSA-N -1 1 455.985 3.844 20 0 JHADMM Cc1ccc(C2(NS(=O)(=O)c3ccc(CCC[N-]C(=O)C(F)(F)F)cc3)CCC2)cc1 ZINC001309648082 1070901447 /nfs/dbraw/zinc/90/14/47/1070901447.db2.gz OFZHPHJQXNTWFK-UHFFFAOYSA-N -1 1 454.514 3.964 20 0 JHADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCc3ccccc3C(C)(C)C2)c(F)c1 ZINC001309673853 1070917136 /nfs/dbraw/zinc/91/71/36/1070917136.db2.gz YZHMQWGUTAKVJT-UHFFFAOYSA-N -1 1 454.589 3.502 20 0 JHADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2OC)c(F)cc1Br ZINC001309687621 1070923257 /nfs/dbraw/zinc/92/32/57/1070923257.db2.gz YNCYAYMVWNPBNI-BLLLJJGKSA-N -1 1 472.332 3.608 20 0 JHADMM O=C(N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccccc1 ZINC001309698975 1070930812 /nfs/dbraw/zinc/93/08/12/1070930812.db2.gz MDYHUSGEKPKQKX-IAGOWNOFSA-N -1 1 473.339 3.747 20 0 JHADMM O=S(=O)([N-][C@@H]1CC2(CCOCC2)Oc2ccccc21)c1c(F)cccc1Br ZINC001309801173 1070974160 /nfs/dbraw/zinc/97/41/60/1070974160.db2.gz SWNOEXWLFNJFCM-MRXNPFEDSA-N -1 1 456.333 3.940 20 0 JHADMM COc1ccc(NC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)cc1[N-]S(C)(=O)=O ZINC001310355182 1071334302 /nfs/dbraw/zinc/33/43/02/1071334302.db2.gz OBXLKUZKIQTDBL-UHFFFAOYSA-N -1 1 453.511 3.832 20 0 JHADMM CCO[C@]1(c2nnc(N3CCC(C(=O)c4ccc([O-])cc4)CC3)n2CC(C)(C)SC)CCOC1 ZINC001314099827 1071983260 /nfs/dbraw/zinc/98/32/60/1071983260.db2.gz DBPYVKSJNFXFFD-RUZDIDTESA-N -1 1 488.654 3.877 20 0 JHADMM CCc1ccccc1OCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CC1CC1 ZINC001305983885 1068331515 /nfs/dbraw/zinc/33/15/15/1068331515.db2.gz VJUOYIWCXOWYAE-UHFFFAOYSA-N -1 1 465.520 3.724 20 0 JHADMM O=C(C[C@@H]1COC(=O)C1)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001306302812 1068718953 /nfs/dbraw/zinc/71/89/53/1068718953.db2.gz QVXPBSBTECFAKA-LBPRGKRZSA-N -1 1 456.492 3.694 20 0 JHADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1ns[nH]c1=O ZINC001306302381 1068718998 /nfs/dbraw/zinc/71/89/98/1068718998.db2.gz KULVPMNLPOUYIW-UHFFFAOYSA-N -1 1 458.493 3.612 20 0 JHADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H](C3CCCCC3)C(F)(F)F)c2)n1 ZINC001310586900 1069032902 /nfs/dbraw/zinc/03/29/02/1069032902.db2.gz HAFUPDQXUILMNA-MRXNPFEDSA-N -1 1 453.465 3.959 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NCCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001310740458 1069143762 /nfs/dbraw/zinc/14/37/62/1069143762.db2.gz QHYMEDILFWKQGQ-UHFFFAOYSA-N -1 1 459.371 3.859 20 0 JHADMM COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC001310740471 1069143938 /nfs/dbraw/zinc/14/39/38/1069143938.db2.gz QRTFZHMNTCFIHB-RBUKOAKNSA-N -1 1 463.456 3.594 20 0 JHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NCc3ccc(N(C)C)nc3)c2)c1 ZINC001310798783 1069168228 /nfs/dbraw/zinc/16/82/28/1069168228.db2.gz WBIHACRTXFQZRJ-UHFFFAOYSA-N -1 1 453.568 3.887 20 0 JHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NCC(=O)Nc3ccccc3)c2)c1 ZINC001310798794 1069168308 /nfs/dbraw/zinc/16/83/08/1069168308.db2.gz WOVPTNNEPMMLNX-UHFFFAOYSA-N -1 1 452.536 3.864 20 0 JHADMM O=S(=O)([N-]c1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1)c1ccccc1 ZINC001164731502 720431545 /nfs/dbraw/zinc/43/15/45/720431545.db2.gz KZXPQFZQJHIJRU-ZEQRLZLVSA-N -1 1 486.601 3.679 20 0 JHADMM COc1cnc(C(C)(C)NC(=O)Nc2nc3c(cc(F)cc3Br)s2)[n-]c1=O ZINC001311301196 1069320349 /nfs/dbraw/zinc/32/03/49/1069320349.db2.gz HYCKVIWBOLKDKE-UHFFFAOYSA-N -1 1 456.297 3.759 20 0 JHADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001311512639 1069417144 /nfs/dbraw/zinc/41/71/44/1069417144.db2.gz HYTLFAQGFVJLGE-ZLGUVYLKSA-N -1 1 463.500 3.960 20 0 JHADMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001311913740 1069610284 /nfs/dbraw/zinc/61/02/84/1069610284.db2.gz IOWSWUUJYWKYRC-GFCCVEGCSA-N -1 1 459.959 3.901 20 0 JHADMM C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)Nc2nc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC001306825229 1069645757 /nfs/dbraw/zinc/64/57/57/1069645757.db2.gz AZUSIDWYIIIPAK-CHWSQXEVSA-N -1 1 459.959 3.728 20 0 JHADMM CCCCCn1nc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c2ccccc2c1=O ZINC001306827132 1069646459 /nfs/dbraw/zinc/64/64/59/1069646459.db2.gz UIKXMQPCXRKSPZ-UHFFFAOYSA-N -1 1 452.902 3.983 20 0 JHADMM CCCCCn1nc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c2ccccc2c1=O ZINC001306827132 1069646464 /nfs/dbraw/zinc/64/64/64/1069646464.db2.gz UIKXMQPCXRKSPZ-UHFFFAOYSA-N -1 1 452.902 3.983 20 0 JHADMM NC(=O)NCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC001306829481 1069647766 /nfs/dbraw/zinc/64/77/66/1069647766.db2.gz HGLOJSSPOWMBKE-UHFFFAOYSA-N -1 1 458.927 3.561 20 0 JHADMM CC[C@H]1Oc2cc([C@@H](C)NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)ccc2NC1=O ZINC001312136710 1069742132 /nfs/dbraw/zinc/74/21/32/1069742132.db2.gz YBYVZMYWXPVSTN-QVKFZJNVSA-N -1 1 451.523 3.867 20 0 JHADMM CC(C)[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCS1 ZINC001312265650 1069822664 /nfs/dbraw/zinc/82/26/64/1069822664.db2.gz UKLSBZGNZLIWHI-HXUWFJFHSA-N -1 1 451.589 3.910 20 0 JHADMM O=C(N[C@H]1CCCOc2c(F)cccc21)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001312399897 1069910478 /nfs/dbraw/zinc/91/04/78/1069910478.db2.gz XOHHWQLKRIIPQE-PBHICJAKSA-N -1 1 451.420 3.859 20 0 JHADMM COC1CCC(CCNC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)CC1 ZINC001312466242 1069954680 /nfs/dbraw/zinc/95/46/80/1069954680.db2.gz HUWVLQGQVLRSKM-PEVDHWGLSA-N -1 1 455.521 3.828 20 0 JHADMM 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ZINC001309158689 1070576207 /nfs/dbraw/zinc/57/62/07/1070576207.db2.gz HZUBFDQNIXTRKK-UHFFFAOYSA-N -1 1 458.502 3.520 20 0 JHADMM CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)c1ccc(OC)cc1 ZINC001309160086 1070577147 /nfs/dbraw/zinc/57/71/47/1070577147.db2.gz YXWHZJQCLFGAQR-HNNXBMFYSA-N -1 1 455.554 3.540 20 0 JHADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)Cc2cc(C)ccc2Br)CCc2ccccc21 ZINC001309197230 1070598703 /nfs/dbraw/zinc/59/87/03/1070598703.db2.gz AHQACVDIWHZQOS-HXUWFJFHSA-N -1 1 452.370 3.582 20 0 JHADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccccc1)c1cc(Br)c(Cl)cc1Cl ZINC001309222674 1070623423 /nfs/dbraw/zinc/62/34/23/1070623423.db2.gz DBLZMJFQXDGGBP-LBPRGKRZSA-N -1 1 453.185 3.885 20 0 JHADMM COC(=O)c1cc(S(=O)(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[n-]n1 ZINC001309246801 1070641731 /nfs/dbraw/zinc/64/17/31/1070641731.db2.gz YFDAWBHFCCXTFM-UHFFFAOYSA-N -1 1 454.335 3.913 20 0 JHADMM COC(=O)c1cc(S(=O)(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n[n-]1 ZINC001309246801 1070641735 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20 0 JHADMM O=C(CN1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1)Nc1ccccc1Cl ZINC001306211092 1068601299 /nfs/dbraw/zinc/60/12/99/1068601299.db2.gz CEMRUEAZHCVPPO-UHFFFAOYSA-N -1 1 459.333 3.644 20 0 JHADMM CC[C@H]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001306308065 1068726596 /nfs/dbraw/zinc/72/65/96/1068726596.db2.gz DLJVGZSYUVPVKF-PMACEKPBSA-N -1 1 478.563 3.985 20 0 JHADMM O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001311066384 1069263844 /nfs/dbraw/zinc/26/38/44/1069263844.db2.gz MJSFITNYLFYZAZ-UHFFFAOYSA-N -1 1 455.902 3.820 20 0 JHADMM C[C@@H](CNC(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)N1CCc2sccc2C1 ZINC001311081464 1069267131 /nfs/dbraw/zinc/26/71/31/1069267131.db2.gz WNUUVVWHOICZJP-LBPRGKRZSA-N -1 1 458.481 3.634 20 0 JHADMM Cn1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc(Cl)c1=O ZINC001306695763 1069432534 /nfs/dbraw/zinc/43/25/34/1069432534.db2.gz IUAVOPFWXQQKAX-UHFFFAOYSA-N -1 1 452.319 3.745 20 0 JHADMM 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CCOC(=O)c1n[n-]c(C2CCN(C(=O)COc3ccc(Oc4ccccc4)cc3)CC2)n1 ZINC001306833616 1069649701 /nfs/dbraw/zinc/64/97/01/1069649701.db2.gz GLRZVHWDVTUXMI-UHFFFAOYSA-N -1 1 450.495 3.559 20 0 JHADMM CSc1nc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c2ccccn21 ZINC001306877695 1069671095 /nfs/dbraw/zinc/67/10/95/1069671095.db2.gz FROZOXNOIKPHPO-HZPDHXFCSA-N -1 1 462.497 3.733 20 0 JHADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001306892708 1069676570 /nfs/dbraw/zinc/67/65/70/1069676570.db2.gz AZRYKQALNHYIDP-JLTOFOAXSA-N -1 1 452.935 3.921 20 0 JHADMM C[C@@H](CNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)Oc1ccc(Cl)cc1 ZINC001312091523 1069715272 /nfs/dbraw/zinc/71/52/72/1069715272.db2.gz QQUKZQNHCIEYNN-BBRMVZONSA-N -1 1 455.864 3.927 20 0 JHADMM CCOc1cccc(CCn2c([C@H]3CCCO3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001314206074 1069817131 /nfs/dbraw/zinc/81/71/31/1069817131.db2.gz GLIRGSHRLHNDPF-HXUWFJFHSA-N -1 1 495.546 3.666 20 0 JHADMM 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COc1cc(CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1OCCC(C)C ZINC001311505924 1069413588 /nfs/dbraw/zinc/41/35/88/1069413588.db2.gz JVEOVJJAZOAOQA-UHFFFAOYSA-N -1 1 459.509 3.720 20 0 JHADMM C[C@H](O)[C@@H](NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1F ZINC001311835994 1069571168 /nfs/dbraw/zinc/57/11/68/1069571168.db2.gz WVSLOSPYGUQXNG-KSFYIVLOSA-N -1 1 457.527 3.548 20 0 JHADMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H](O)Cc1ccccc1 ZINC001306779202 1069575481 /nfs/dbraw/zinc/57/54/81/1069575481.db2.gz HVLWSPCADIRPSP-AOMKIAJQSA-N -1 1 458.967 3.863 20 0 JHADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1ccnc(O[C@H]2CCOC2)c1 ZINC001306853830 1069660331 /nfs/dbraw/zinc/66/03/31/1069660331.db2.gz GYUUEVHWDMNWAW-JTQLQIEISA-N -1 1 458.106 3.732 20 0 JHADMM Cc1c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)n[nH]c1C(C)C ZINC001306863436 1069665043 /nfs/dbraw/zinc/66/50/43/1069665043.db2.gz LZCJHNGIHNKPOA-UHFFFAOYSA-N -1 1 456.524 3.666 20 0 JHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCCC(=O)OC(C)(C)C)c1 ZINC001306864540 1069665694 /nfs/dbraw/zinc/66/56/94/1069665694.db2.gz GZTAQGVALJUINK-UHFFFAOYSA-N -1 1 450.532 3.787 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001306869790 1069667623 /nfs/dbraw/zinc/66/76/23/1069667623.db2.gz XEVNWIHLSPKIEY-IYJAJMOOSA-N -1 1 466.422 3.713 20 0 JHADMM Cc1ccc2ncc(C(=O)N3CC[C@H](c4ccccc4)[C@H]([N-]C(=O)C(F)(F)F)C3)c(O)c2c1 ZINC001306877662 1069671044 /nfs/dbraw/zinc/67/10/44/1069671044.db2.gz DUIBKXZHNUJTHK-OXQOHEQNSA-N -1 1 457.452 3.513 20 0 JHADMM C[C@@H](O)[C@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC001312263726 1069820772 /nfs/dbraw/zinc/82/07/72/1069820772.db2.gz JUVODBMTWPOYHV-ZHRRBRCNSA-N -1 1 457.527 3.548 20 0 JHADMM COC(=O)c1c[n-]c(SCC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)n1 ZINC001307332214 1069951975 /nfs/dbraw/zinc/95/19/75/1069951975.db2.gz NJMSVWFGVUFTAZ-UHFFFAOYSA-N -1 1 455.536 3.535 20 0 JHADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001312911695 1070177501 /nfs/dbraw/zinc/17/75/01/1070177501.db2.gz KBMGESANMQFDLT-GHJWDPDVSA-N -1 1 456.896 3.920 20 0 JHADMM CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001307942219 1070252358 /nfs/dbraw/zinc/25/23/58/1070252358.db2.gz MZLRVAUKTLDHLT-IWMITWMQSA-N -1 1 461.484 3.753 20 0 JHADMM COc1cnc([C@@H]2CCCN2CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[n-]c1=O ZINC001308141695 1070327267 /nfs/dbraw/zinc/32/72/67/1070327267.db2.gz QNXOUESBHPFBJY-REWPJTCUSA-N -1 1 450.514 3.715 20 0 JHADMM CCOCCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001314452287 1070350343 /nfs/dbraw/zinc/35/03/43/1070350343.db2.gz ABJDTFFQIUWTND-UHFFFAOYSA-N -1 1 451.571 3.905 20 0 JHADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001309093129 1070536007 /nfs/dbraw/zinc/53/60/07/1070536007.db2.gz DZDFKTXVVOTYAR-UHFFFAOYSA-N -1 1 458.298 3.583 20 0 JHADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)Nc1ccc(Br)cc1 ZINC001309125965 1070553306 /nfs/dbraw/zinc/55/33/06/1070553306.db2.gz YVDZTSDTZJXLNN-UHFFFAOYSA-N -1 1 456.120 3.812 20 0 JHADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C)c1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001309162794 1070579600 /nfs/dbraw/zinc/57/96/00/1070579600.db2.gz CHTZWYYADWNIML-QFIPXVFZSA-N -1 1 459.543 3.660 20 0 JHADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 ZINC001309219135 1070618073 /nfs/dbraw/zinc/61/80/73/1070618073.db2.gz HMIXTTAFDUQPOV-GFCCVEGCSA-N -1 1 455.157 3.776 20 0 JHADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001309313924 1070691890 /nfs/dbraw/zinc/69/18/90/1070691890.db2.gz VLJLDXFSBPKUCU-UHFFFAOYSA-N -1 1 450.438 3.843 20 0 JHADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(Br)n1C ZINC001309319632 1070695375 /nfs/dbraw/zinc/69/53/75/1070695375.db2.gz CBKHVZCXDLWYRL-UWVGGRQHSA-N -1 1 454.312 3.980 20 0 JHADMM O=S(=O)([N-]Cc1nccn1CCc1ccccc1)c1ccc(F)c(Br)c1F ZINC001309338583 1070708948 /nfs/dbraw/zinc/70/89/48/1070708948.db2.gz SFGJCVZDYJEMPS-UHFFFAOYSA-N -1 1 456.312 3.645 20 0 JHADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)[C@@H](OC)c2ccccc2F)c1F ZINC001309346098 1070712293 /nfs/dbraw/zinc/71/22/93/1070712293.db2.gz IBSRZASHRXLHQQ-QLJPJBMISA-N -1 1 450.301 3.790 20 0 JHADMM CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Br)cnc1Cl)C(=O)OC(C)(C)C ZINC001309604764 1070879670 /nfs/dbraw/zinc/87/96/70/1070879670.db2.gz JHXPXGSBAJIIKN-LLVKDONJSA-N -1 1 455.802 3.780 20 0 JHADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c1F ZINC001309628706 1070891272 /nfs/dbraw/zinc/89/12/72/1070891272.db2.gz YVYNFAQHXHVHGO-TUKIKUTGSA-N -1 1 477.982 3.937 20 0 JHADMM COc1cc(C(C)C)c(S(=O)(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1C ZINC001309779819 1070964592 /nfs/dbraw/zinc/96/45/92/1070964592.db2.gz IHVBTPUDTLWNDP-UHFFFAOYSA-N -1 1 453.004 3.993 20 0 JHADMM O=C([N-]CC[C@H]1CN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)c2ccccc21)C(F)(F)F ZINC001309779778 1070965264 /nfs/dbraw/zinc/96/52/64/1070965264.db2.gz KXXGRLIGDHJWDP-RYUDHWBXSA-N -1 1 459.317 3.573 20 0 JHADMM CC(C)(C)OC(=O)NC1CC2(CC([N-]S(=O)(=O)c3sccc3Br)C2)C1 ZINC001309964709 1071030056 /nfs/dbraw/zinc/03/00/56/1071030056.db2.gz CYOPNUWQGPBOHL-UHFFFAOYSA-N -1 1 451.408 3.625 20 0 JHADMM O=C([N-]CC1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1)C(F)(F)F ZINC001310297988 1071281035 /nfs/dbraw/zinc/28/10/35/1071281035.db2.gz KUYNJXMBCHFFAN-UHFFFAOYSA-N -1 1 457.840 3.845 20 0 JHADMM C[S@@](=O)c1ccc(NC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1F ZINC001310304201 1071287275 /nfs/dbraw/zinc/28/72/75/1071287275.db2.gz CGDLWFSTKHCWFK-ZDUYTPDQSA-N -1 1 457.449 3.767 20 0 JHADMM CCOC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001314053638 1071876715 /nfs/dbraw/zinc/87/67/15/1071876715.db2.gz UQJPLGXYJODRNJ-HXUWFJFHSA-N -1 1 456.587 3.792 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001310740960 1069143845 /nfs/dbraw/zinc/14/38/45/1069143845.db2.gz ACFWCTFGESEXSC-CQSZACIVSA-N -1 1 458.481 3.552 20 0 JHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001310742081 1069144733 /nfs/dbraw/zinc/14/47/33/1069144733.db2.gz LOJRAJCWORJMSY-AWEZNQCLSA-N -1 1 458.481 3.647 20 0 JHADMM